A0A077ZFC4_TRITR Loading...

N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB , UniProt , Accession A0A077ZFC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 406 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	81.6	Confident	92.6	Very high	126 Å²	126	69.9 Å²	69.9	62%	0.621	35%	0.346	S	S	*	.				0	105.1	0	-160.1	174.2	73.3	0	0	112.3	A58 D59 C61	M1-A58 WeakPolarHBondContact CA-O 3.47Å; M1-A58 VanDerWaalsContact CB-O 3.24Å; M1-A58 WeakPolarHBondContact CB-O 3.37Å; M1-A58 PolarHBondContact N-O 2.81Å; M1-D59 CarbonylContact C-O 3.53Å; M1-D59 WeakPolarHBondContact CA-O 3.47Å; M1-C61 HydrophobicContact CE-CB 4.48Å; M1-C61 HydrophobicContact CG-CB 3.77Å; M1-C61 HydrophobicContact SD-CB 3.75Å
2	K	89.8	Confident	92.4	Very high	95 Å²	95	69 Å²	69	41%	0.413	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.7	163.8	-177.4	179.1	-179.9	-175.9	0	108.5	L4 E10 D59 Y60 C61	K2-L4 HydrophobicContact CD-CD2 4.27Å; K2-L4 HydrophobicContact CG-CD2 4.4Å; K2-E10 IonicContact NZ-OE1 2.73Å; K2-E10 PolarHBondContact NZ-OE1 3.33Å; K2-E10 IonicContact NZ-OE2 3Å; K2-E10 PolarHBondContact NZ-OE2 2.62Å; K2-D59 PolarHBondContact N-O 2.94Å; K2-Y60 HydrophobicContact CB-CD1 4.07Å; K2-Y60 HydrophobicContact CB-CE1 4.29Å; K2-Y60 HydrophobicContact CD-CD1 4.44Å; K2-Y60 HydrophobicContact CD-CE1 4.07Å; K2-Y60 CarbonylContact O-C 3.47Å; K2-Y60 WeakPolarHBondContact O-CA 3.25Å; K2-C61 PolarHBondContact O-N 3.23Å
3	C	93.1	Very high	92	Very high	88 Å²	88	72 Å²	72	60%	0.595	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.2	174.8	-63.7	0	0	0	0	110.6	C61	C3-C61 CarbonylContact C-O 3.58Å; C3-C61 VanDerWaalsContact CA-O 3.3Å; C3-C61 WeakPolarHBondContact CA-O 3.37Å
4	L	96.4	Very high	91.6	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	158.1	177.6	-63.2	175.3	0	0	0	109.2	K2 E10 V11 L14 Y60 C61 I62 D63	K2-L4 HydrophobicContact CD-CD2 4.27Å; K2-L4 HydrophobicContact CG-CD2 4.4Å; L4-E10 HydrophobicContact CD1-CB 3.91Å; L4-V11 HydrophobicContact CB-CG2 4.2Å; L4-V11 HydrophobicContact CD1-CG2 4.07Å; L4-L14 HydrophobicContact CD1-CD2 4.31Å; L4-Y60 HydrophobicContact CD1-CD1 3.79Å; L4-Y60 HydrophobicContact CD1-CE1 4.29Å; L4-Y60 HydrophobicContact CG-CD1 4.43Å; L4-C61 PolarHBondContact N-O 3.16Å; L4-I62 WeakPolarHBondContact O-CA 3.32Å; L4-D63 PolarHBondContact O-N 3.31Å
5	K	96.8	Very high	91.1	Very high	62 Å²	62	67.1 Å²	67.1	27%	0.27	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147	164.7	-66.7	-71.1	-173.8	169.2	0	109.1	Y7 D8 V11 D63 E65	K5-Y7 HydrophobicContact CB-CD1 4.14Å; K5-Y7 HydrophobicContact CB-CD2 3.94Å; K5-Y7 HydrophobicContact CB-CE1 3.81Å; K5-Y7 HydrophobicContact CB-CE2 3.57Å; K5-Y7 HydrophobicContact CB-CG 4.21Å; K5-Y7 HydrophobicContact CD-CE1 4.39Å; K5-Y7 HydrophobicContact CG-CE1 4.21Å; K5-Y7 HydrophobicContact CG-CE2 4.05Å; K5-Y7 PolarHBondContact O-N 3.24Å; K5-D8 PolarHBondContact N-OD2 3.29Å; K5-D8 WeakPolarHBondContact O-CB 3.15Å; K5-D8 PolarHBondContact O-N 3.35Å; K5-V11 WeakPolarHBondContact O-CG2 3.42Å; K5-D63 HydrophobicContact CD-CB 4.2Å; K5-D63 IonicContact NZ-OD2 3.19Å; K5-D63 PolarHBondContact NZ-OD2 2.77Å; K5-E65 HydrophobicContact CD-CG 4.29Å; K5-E65 IonicContact NZ-OE1 3.06Å; K5-E65 PolarHBondContact NZ-OE1 3.26Å
6	W	95.6	Very high	90.9	Very high	23 Å²	23	71.9 Å²	71.9	9%	0.087	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-26	180	68	-94.5	0	0	0	113.7	I62 D63 E65 L386 V394 A395 R402 K405	W6-I62 HydrophobicContact CB-CG2 3.9Å; W6-D63 PolarHBondContact N-O 2.85Å; W6-D63 VanDerWaalsContact N-O 3.16Å; W6-E65 PolarHBondContact NE1-OE2 3.03Å; W6-E65 VanDerWaalsContact NE1-OE2 3.15Å; W6-L386 HydrophobicContact CB-CD1 3.63Å; W6-L386 HydrophobicContact CD2-CD1 4.03Å; W6-L386 HydrophobicContact CE3-CD1 4.25Å; W6-L386 HydrophobicContact CG-CD1 3.75Å; W6-V394 HydrophobicContact CD2-CG1 4.49Å; W6-V394 HydrophobicContact CE3-CG1 4.3Å; W6-V394 HydrophobicContact CH2-CG1 3.1Å; W6-V394 HydrophobicContact CZ2-CG1 3.29Å; W6-V394 HydrophobicContact CZ3-CG1 3.64Å; W6-A395 HydrophobicContact CE3-CB 3.91Å; W6-A395 HydrophobicContact CZ3-CB 3.9Å; W6-R402 WeakPolarHBondContact O-CD 3.42Å; W6-R402 PolarHBondContact O-NE 3.1Å; W6-K405 HydrophobicContact CH2-CG 4.46Å; W6-K405 HydrophobicContact CZ3-CD 4.21Å; W6-K405 HydrophobicContact CZ3-CG 4.02Å
7	Y	95.2	Very high	91	Very high	87 Å²	87	69.4 Å²	69.4	34%	0.341	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.8	-178.7	55.7	-113.6	0	0	0	115.1	K5 E65 R402 K405	K5-Y7 HydrophobicContact CB-CD1 4.14Å; K5-Y7 HydrophobicContact CB-CD2 3.94Å; K5-Y7 HydrophobicContact CB-CE1 3.81Å; K5-Y7 HydrophobicContact CB-CE2 3.57Å; K5-Y7 HydrophobicContact CB-CG 4.21Å; K5-Y7 HydrophobicContact CD-CE1 4.39Å; K5-Y7 HydrophobicContact CG-CE1 4.21Å; K5-Y7 HydrophobicContact CG-CE2 4.05Å; K5-Y7 PolarHBondContact O-N 3.24Å; Y7-E65 WeakPolarHBondContact CE1-OE2 3.25Å; Y7-R402 PolarHBondContact O-NH2 3.48Å; Y7-K405 PolarHBondContact O-NZ 3.36Å; Y7-K405 VanDerWaalsContact O-NZ 3.07Å
8	D	95.9	Very high	91	Very high	55 Å²	55	65.9 Å²	65.9	29%	0.294	35%	0.349	S	S	.	.	S	Bend	trans	-66.1	149.8	177.2	-69.7	-24.4	0	0	0	110.6	K5 E10 V11 R402	K5-D8 PolarHBondContact N-OD2 3.29Å; K5-D8 WeakPolarHBondContact O-CB 3.15Å; K5-D8 PolarHBondContact O-N 3.35Å; D8-E10 VanDerWaalsContact C-N 3.29Å; D8-E10 PolarHBondContact O-N 3.43Å; D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 PolarHBondContact O-N 2.73Å; D8-R402 PolarHBondContact O-NH2 3.4Å
9	D	92.9	Very high	91.3	Very high	137 Å²	137	62.9 Å²	62.9	73%	0.733	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.1	-27.4	-176	-69.3	-29.1	0	0	0	112.6	V11 V12 R402	D9-V11 PolarHBondContact O-N 2.96Å; D9-V12 WeakPolarHBondContact O-CB 3.41Å; D9-V12 WeakPolarHBondContact O-CG2 3.24Å; D9-V12 PolarHBondContact O-N 2.72Å; D9-R402 IonicContact OD1-NH2 2.69Å
10	E	91.3	Very high	91.4	Very high	87 Å²	87	62.9 Å²	62.9	41%	0.407	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24.3	176.4	-65.8	-177.1	-139.4	0	0	113	K2 L4 D8 V12 D13 L14	K2-E10 IonicContact NZ-OE1 2.73Å; K2-E10 PolarHBondContact NZ-OE1 3.33Å; K2-E10 IonicContact NZ-OE2 3Å; K2-E10 PolarHBondContact NZ-OE2 2.62Å; L4-E10 HydrophobicContact CD1-CB 3.91Å; D8-E10 VanDerWaalsContact C-N 3.29Å; D8-E10 PolarHBondContact O-N 3.43Å; E10-V12 PolarHBondContact O-N 3.27Å; E10-V12 VanDerWaalsContact O-N 3.16Å; E10-D13 CarbonylContact O-C 3.59Å; E10-D13 PolarHBondContact O-N 3.02Å; E10-L14 VanDerWaalsContact O-CD2 3.23Å; E10-L14 WeakPolarHBondContact O-CD2 3.12Å
11	V	90.4	Very high	91.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-68.9	-12.1	-179.1	178.5	0	0	0	0	112.8	L4 K5 D8 D9 D13 I62 F397 R402	L4-V11 HydrophobicContact CB-CG2 4.2Å; L4-V11 HydrophobicContact CD1-CG2 4.07Å; K5-V11 WeakPolarHBondContact O-CG2 3.42Å; D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 PolarHBondContact O-N 2.73Å; D9-V11 PolarHBondContact O-N 2.96Å; V11-D13 VanDerWaalsContact C-N 3.34Å; V11-I62 HydrophobicContact CB-CD1 4.49Å; V11-I62 HydrophobicContact CG1-CD1 3.77Å; V11-I62 HydrophobicContact CG2-CD1 4.06Å; V11-I62 HydrophobicContact CG2-CG1 4.29Å; V11-F397 HydrophobicContact CG1-CE1 3.67Å; V11-F397 HydrophobicContact CG1-CZ 4.13Å; V11-R402 HydrophobicContact CG1-CB 4.04Å; V11-R402 PolarHBondContact O-N 2.81Å
12	V	89.6	Confident	92.4	Very high	59 Å²	59	56 Å²	56	36%	0.358	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-70.6	-30.9	177.6	-180	0	0	0	0	111.7	D9 E10 R401	D9-V12 WeakPolarHBondContact O-CB 3.41Å; D9-V12 WeakPolarHBondContact O-CG2 3.24Å; D9-V12 PolarHBondContact O-N 2.72Å; E10-V12 PolarHBondContact O-N 3.27Å; E10-V12 VanDerWaalsContact O-N 3.16Å; V12-R401 WeakPolarHBondContact O-CB 3.44Å
13	D	87.8	Confident	92.7	Very high	108 Å²	108	53.8 Å²	53.8	58%	0.578	29%	0.287	S	S	*	.			trans	-151.8	110.4	177.8	-174	8.4	0	0	0	111.1	E10 V11 G15	E10-D13 CarbonylContact O-C 3.59Å; E10-D13 PolarHBondContact O-N 3.02Å; V11-D13 VanDerWaalsContact C-N 3.34Å; D13-G15 PolarHBondContact OD1-N 3.27Å
14	L	85.8	Confident	92.9	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.094	26%	0.259	C	S	.	.			trans	-112.4	11.6	175.7	-60.4	176.2	0	0	0	111.6	L4 E10 S17 V19 Y60 I62	L4-L14 HydrophobicContact CD1-CD2 4.31Å; E10-L14 VanDerWaalsContact O-CD2 3.23Å; E10-L14 WeakPolarHBondContact O-CD2 3.12Å; L14-S17 WeakPolarHBondContact O-CB 3.14Å; L14-S17 PolarHBondContact O-N 3.32Å; L14-S17 PolarHBondContact O-OG 3.16Å; L14-V19 HydrophobicContact CB-CG2 4.31Å; L14-V19 HydrophobicContact CD1-CG1 4.12Å; L14-V19 HydrophobicContact CD1-CG2 3.72Å; L14-Y60 HydrophobicContact CD1-CD2 4.39Å; L14-Y60 HydrophobicContact CD1-CG 4.18Å; L14-Y60 HydrophobicContact CD2-CD1 3.94Å; L14-Y60 HydrophobicContact CD2-CD2 4.16Å; L14-Y60 HydrophobicContact CD2-CE1 3.85Å; L14-Y60 HydrophobicContact CD2-CE2 4.12Å; L14-Y60 HydrophobicContact CD2-CG 4.08Å; L14-I62 HydrophobicContact CD1-CD1 3.95Å
15	G	84.5	Confident	92.9	Very high	52 Å²	52	52.2 Å²	52.2	54%	0.536	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-139	-176.7	0	0	0	0	0	113.4	D13 S17	D13-G15 PolarHBondContact OD1-N 3.27Å; G15-S17 PolarHBondContact O-N 3Å
16	E	87.8	Confident	92.9	Very high	145 Å²	145	49.5 Å²	49.5	68%	0.678	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	16.5	179.3	-61	-176.8	164	0	0	113.3
17	S	91.7	Very high	93	Very high	28 Å²	28	48.7 Å²	48.7	20%	0.196	26%	0.257	C	S	.	.			trans	-62.5	152.5	-174.4	-59.3	0	0	0	0	113.1	L14 G15 V19 Y60	L14-S17 WeakPolarHBondContact O-CB 3.14Å; L14-S17 PolarHBondContact O-N 3.32Å; L14-S17 PolarHBondContact O-OG 3.16Å; G15-S17 PolarHBondContact O-N 3Å; S17-V19 PolarHBondContact O-N 2.94Å; S17-Y60 WeakPolarHBondContact OG-CE2 3.37Å
18	L	92.7	Very high	92.9	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	113.7	166.5	176.1	63.8	0	0	0	109.5	W38 H40 I45 V50 V56 A58 D59 Y60	L18-W38 HydrophobicContact CD1-CE3 3.99Å; L18-W38 HydrophobicContact CD1-CZ3 4.41Å; L18-W38 HydrophobicContact CD2-CZ3 4.34Å; L18-W38 HydrophobicContact CG-CE3 4.42Å; L18-W38 HydrophobicContact CG-CZ3 4.38Å; L18-H40 HydrophobicContact CD1-CB 4.08Å; L18-I45 HydrophobicContact CD1-CD1 3.42Å; L18-I45 VanDerWaalsContact CD1-CD1 3.42Å; L18-V50 HydrophobicContact CD1-CG1 4.45Å; L18-V50 HydrophobicContact CD1-CG2 4.45Å; L18-V50 HydrophobicContact CD2-CG1 3.65Å; L18-V56 HydrophobicContact CD2-CG1 3.87Å; L18-A58 HydrophobicContact CG-CB 4.36Å; L18-D59 PolarHBondContact N-OD2 3.04Å; L18-D59 PolarHBondContact O-N 2.84Å; L18-Y60 PolarHBondContact O-N 3.08Å
19	V	95	Very high	92.4	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.4	-173	-172.7	0	0	0	0	110.6	L14 S17 F21 V39 I62	L14-V19 HydrophobicContact CB-CG2 4.31Å; L14-V19 HydrophobicContact CD1-CG1 4.12Å; L14-V19 HydrophobicContact CD1-CG2 3.72Å; S17-V19 PolarHBondContact O-N 2.94Å; V19-F21 HydrophobicContact CB-CE2 4.3Å; V19-F21 HydrophobicContact CG1-CD2 4.18Å; V19-F21 HydrophobicContact CG1-CE2 3.67Å; V19-F21 HydrophobicContact CG1-CZ 4.03Å; V19-V39 PolarHBondContact N-O 3.5Å; V19-V39 PolarHBondContact O-N 2.81Å; V19-I62 HydrophobicContact CG1-CD1 3.49Å; V19-I62 VanDerWaalsContact CG1-CD1 3.49Å; V19-I62 HydrophobicContact CG1-CG1 3.95Å
20	R	94.6	Very high	92.2	Very high	62 Å²	62	46.1 Å²	46.1	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.2	174.4	-175.3	-166.9	-176.2	166.8	-2.9	110.3	I22 D36 W38 A58 Y60 C61 I62	R20-I22 HydrophobicContact CG-CG2 3.59Å; R20-D36 HydrophobicContact CG-CB 4.16Å; R20-D36 IonicContact CZ-OD2 2.67Å; R20-D36 IonicContact NE-OD2 2.91Å; R20-D36 PolarHBondContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD2 3.31Å; R20-D36 PolarHBondContact NH2-OD2 3.03Å; R20-W38 HydrophobicContact CB-CD2 4.33Å; R20-W38 HydrophobicContact CB-CE3 4.32Å; R20-W38 HydrophobicContact CB-CH2 4.17Å; R20-W38 HydrophobicContact CB-CZ2 4.12Å; R20-W38 HydrophobicContact CB-CZ3 4.27Å; R20-W38 HydrophobicContact CG-CD2 4.16Å; R20-W38 HydrophobicContact CG-CH2 4.08Å; R20-W38 HydrophobicContact CG-CZ2 3.54Å; R20-A58 HydrophobicContact CB-CB 3.85Å; R20-Y60 PolarHBondContact N-O 2.91Å; R20-C61 CarbonylContact O-C 3.53Å; R20-C61 VanDerWaalsContact O-CA 3.28Å; R20-C61 WeakPolarHBondContact O-CA 3.3Å; R20-I62 PolarHBondContact O-N 3.15Å
21	F	96.6	Very high	92.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.1	169.9	-64.2	-96.9	0	0	0	108.4	V19 D36 L37 V39 I62 L69 F384 F397	V19-F21 HydrophobicContact CB-CE2 4.3Å; V19-F21 HydrophobicContact CG1-CD2 4.18Å; V19-F21 HydrophobicContact CG1-CE2 3.67Å; V19-F21 HydrophobicContact CG1-CZ 4.03Å; F21-D36 CarbonylContact O-C 3.46Å; F21-D36 WeakPolarHBondContact O-CA 3.29Å; F21-D36 VanDerWaalsContact O-CB 3.27Å; F21-D36 WeakPolarHBondContact O-CB 3.35Å; F21-L37 HydrophobicContact CB-CB 4.17Å; F21-L37 HydrophobicContact CD2-CD2 4.49Å; F21-L37 PolarHBondContact N-O 2.86Å; F21-L37 PolarHBondContact O-N 2.99Å; F21-V39 HydrophobicContact CD2-CG2 4.1Å; F21-V39 HydrophobicContact CE2-CB 4.25Å; F21-V39 HydrophobicContact CE2-CG2 3.83Å; F21-I62 CarbonylContact C-O 3.58Å; F21-I62 WeakPolarHBondContact CA-O 3.27Å; F21-I62 HydrophobicContact CD1-CB 3.81Å; F21-I62 HydrophobicContact CD1-CD1 4.09Å; F21-I62 HydrophobicContact CD1-CG2 3.82Å; F21-I62 HydrophobicContact CE1-CB 4.02Å; F21-I62 HydrophobicContact CE1-CD1 3.43Å; F21-I62 VanDerWaalsContact CE1-CD1 3.43Å; F21-I62 HydrophobicContact CE1-CG1 4.31Å; F21-I62 HydrophobicContact CE1-CG2 3.94Å; F21-I62 HydrophobicContact CE2-CD1 4.36Å; F21-I62 HydrophobicContact CG-CB 4.42Å; F21-I62 HydrophobicContact CZ-CD1 3.57Å; F21-L69 HydrophobicContact CB-CD1 4.19Å; F21-F384 HydrophobicContact CD1-CE2 4.32Å; F21-F384 HydrophobicContact CD1-CZ 4.04Å; F21-F384 HydrophobicContact CD2-CZ 4.25Å; F21-F384 HydrophobicContact CE1-CE2 4.13Å; F21-F384 AromaticContact CE1-CZ 3.62Å; F21-F384 HydrophobicContact CE1-CZ 3.62Å; F21-F384 HydrophobicContact CE2-CE1 4.31Å; F21-F384 AromaticContact CE2-CZ 3.86Å; F21-F384 HydrophobicContact CE2-CZ 3.86Å; F21-F384 HydrophobicContact CG-CZ 4.35Å; F21-F384 HydrophobicContact CZ-CE1 4.31Å; F21-F384 HydrophobicContact CZ-CE2 4.48Å; F21-F384 AromaticContact CZ-CZ 3.54Å; F21-F384 HydrophobicContact CZ-CZ 3.54Å; F21-F397 HydrophobicContact CE1-CD1 4.29Å; F21-F397 AromaticContact CE1-CE1 3.77Å; F21-F397 HydrophobicContact CE1-CE1 3.77Å; F21-F397 HydrophobicContact CE1-CZ 4.2Å; F21-F397 HydrophobicContact CZ-CD1 4.33Å; F21-F397 HydrophobicContact CZ-CE1 4.15Å
22	I	96	Very high	92.6	Very high	45 Å²	45	49.8 Å²	49.8	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	168.2	-175	65.9	163.4	0	0	0	111.1	R20 C24 D36 C61 I62 D63 C64	R20-I22 HydrophobicContact CG-CG2 3.59Å; I22-C24 PolarHBondContact O-N 3.11Å; I22-D36 WeakPolarHBondContact CA-OD1 3.19Å; I22-D36 HydrophobicContact CG2-CB 4.41Å; I22-C61 WeakPolarHBondContact CD1-SG 3.42Å; I22-C61 WeakPolarHBondContact CG1-SG 3.42Å; I22-C61 WeakPolarHBondContact CG2-SG 3.4Å; I22-I62 PolarHBondContact N-O 3.21Å; I22-D63 HydrophobicContact CG1-CB 4.3Å; I22-C64 WeakPolarHBondContact O-CB 3.21Å; I22-C64 PolarHBondContact O-N 2.83Å
23	N	96.7	Very high	92.9	Very high	48 Å²	48	49 Å²	49	26%	0.257	26%	0.264	S	S	.	.	S	Bend	trans	58.8	51.3	171	-163.5	40.4	0	0	0	110.9	D63 C64 E65 H66	N23-D63 WeakPolarHBondContact CB-OD1 3.39Å; N23-D63 PolarHBondContact ND2-OD1 3.21Å; N23-C64 CarbonylContact O-C 3.57Å; N23-E65 PolarHBondContact O-N 3.5Å; N23-H66 PolarHBondContact ND2-NE2 2.94Å; N23-H66 WeakPolarHBondContact O-CA 3.18Å; N23-H66 PolarHBondContact O-N 3.09Å; N23-H66 PolarHBondContact OD1-CE1 3.28Å; N23-H66 PolarHBondContact OD1-ND1 3.26Å; N23-H66 PolarHBondContact OD1-NE2 2.83Å
24	C	97.1	Very high	93.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	26%	0.264	C	S	.	.	S	Bend	trans	-141.4	160	179.3	52.6	0	0	0	0	110.9	I22 C64 L67 L69	I22-C24 PolarHBondContact O-N 3.11Å; C24-C64 HydrophobicContact CB-CB 3.63Å; C24-L67 WeakPolarHBondContact CA-O 3.33Å; C24-L67 VanDerWaalsContact CB-O 3.29Å; C24-L67 WeakPolarHBondContact CB-O 3.46Å; C24-L69 HydrophobicContact CB-CB 4.24Å; C24-L69 HydrophobicContact CB-CD1 4.5Å
25	Q	97.7	Very high	93.6	Very high	63 Å²	63	53.1 Å²	53.1	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.4	167.7	-74.2	-175.2	-8.7	0	0	108.9	F32 V33 E34 L67 L68 L69	Q25-F32 HydrophobicContact CB-CB 4.27Å; Q25-F32 HydrophobicContact CB-CD1 4.18Å; Q25-F32 VanDerWaalsContact O-CD1 3.32Å; Q25-F32 WeakPolarHBondContact O-CD1 3.5Å; Q25-V33 CarbonylContact C-O 3.57Å; Q25-V33 WeakPolarHBondContact CA-O 3.44Å; Q25-E34 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E34 PolarHBondContact NE2-OE1 3.34Å; Q25-L67 PolarHBondContact N-O 2.72Å; Q25-L67 VanDerWaalsContact N-O 3.11Å; Q25-L68 HydrophobicContact CB-CD2 3.79Å; Q25-L68 VanDerWaalsContact OE1-CD2 3.26Å; Q25-L69 PolarHBondContact O-N 2.89Å
26	L	97.2	Very high	94.1	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.4	-178.9	-178.4	63.7	0	0	0	110.5	V28 F32 V33 Q35 L37 L69 L376	L26-V28 HydrophobicContact CB-CG2 4.37Å; L26-V28 HydrophobicContact CD2-CG2 3.77Å; L26-V28 HydrophobicContact CG-CG2 3.76Å; L26-V28 PolarHBondContact O-N 3.4Å; L26-F32 WeakPolarHBondContact O-CA 3.28Å; L26-V33 PolarHBondContact N-O 2.82Å; L26-V33 WeakPolarHBondContact O-CG2 3.49Å; L26-V33 PolarHBondContact O-N 2.82Å; L26-Q35 HydrophobicContact CB-CB 4.43Å; L26-Q35 WeakPolarHBondContact CB-O 3.37Å; L26-Q35 HydrophobicContact CD2-CB 4.46Å; L26-Q35 HydrophobicContact CD2-CG 4.33Å; L26-L37 HydrophobicContact CD1-CB 4.38Å; L26-L37 HydrophobicContact CD1-CD1 4.25Å; L26-L37 HydrophobicContact CD2-CD1 4.36Å; L26-L69 HydrophobicContact CD1-CB 4.26Å; L26-L69 HydrophobicContact CD1-CD2 3.67Å; L26-L69 HydrophobicContact CD1-CG 4.43Å; L26-L376 HydrophobicContact CD1-CB 4.22Å; L26-L376 HydrophobicContact CD1-CD1 3.6Å
27	L	97.2	Very high	94.5	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	105.8	169.7	-179.5	55.8	0	0	0	109.5	F32 L69 A70 A353 L356	L27-F32 HydrophobicContact CB-CD1 3.99Å; L27-F32 HydrophobicContact CB-CE1 3.63Å; L27-F32 HydrophobicContact CB-CZ 4.16Å; L27-F32 HydrophobicContact CD1-CE2 4.48Å; L27-F32 HydrophobicContact CD1-CZ 4.46Å; L27-L69 PolarHBondContact N-O 3.29Å; L27-A70 HydrophobicContact CB-CB 4.16Å; L27-A70 HydrophobicContact CD2-CB 4Å; L27-A353 HydrophobicContact CD1-CB 3.61Å; L27-L356 HydrophobicContact CD2-CB 3.91Å; L27-L356 HydrophobicContact CD2-CD1 4.06Å
28	V	92	Very high	94.6	Very high	44 Å²	44	44.9 Å²	44.9	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.6	175	-177	0	0	0	0	108.3	L26 D30 I31 V33	L26-V28 HydrophobicContact CB-CG2 4.37Å; L26-V28 HydrophobicContact CD2-CG2 3.77Å; L26-V28 HydrophobicContact CG-CG2 3.76Å; L26-V28 PolarHBondContact O-N 3.4Å; V28-D30 PolarHBondContact O-N 2.88Å; V28-I31 PolarHBondContact N-O 2.71Å; V28-I31 WeakPolarHBondContact O-CG1 3.15Å; V28-I31 PolarHBondContact O-N 3.42Å; V28-I31 VanDerWaalsContact O-N 3.16Å; V28-V33 HydrophobicContact CB-CG2 4.1Å; V28-V33 HydrophobicContact CG2-CG2 3.61Å
29	D	86.8	Confident	94.7	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-103.3	-169.9	-63.2	-51	0	0	0	111.8	K377	D29-K377 WeakPolarHBondContact OD1-CE 3.14Å; D29-K377 IonicContact OD1-NZ 2.62Å; D29-K377 PolarHBondContact OD1-NZ 3.43Å
30	D	87.4	Confident	94.7	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	16.9	-177.6	-65	-51.2	0	0	0	112.4	V28 A353 S357	V28-D30 PolarHBondContact O-N 2.88Å; D30-A353 WeakPolarHBondContact O-CB 3.44Å; D30-S357 PolarHBondContact OD1-OG 2.96Å
31	I	94.5	Very high	94.6	Very high	109 Å²	109	50 Å²	50	56%	0.559	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.2	179.1	60.2	168.6	0	0	0	112.2	V28 V33	V28-I31 PolarHBondContact N-O 2.71Å; V28-I31 WeakPolarHBondContact O-CG1 3.15Å; V28-I31 PolarHBondContact O-N 3.42Å; V28-I31 VanDerWaalsContact O-N 3.16Å; I31-V33 HydrophobicContact CD1-CG1 3.79Å; I31-V33 HydrophobicContact CG1-CG1 4.08Å
32	F	96.1	Very high	94.4	Very high	54 Å²	54	50.5 Å²	50.5	24%	0.237	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.5	169	-77	-73.5	0	0	0	110.1	Q25 L26 L27 L68 A353 L356	Q25-F32 HydrophobicContact CB-CB 4.27Å; Q25-F32 HydrophobicContact CB-CD1 4.18Å; Q25-F32 VanDerWaalsContact O-CD1 3.32Å; Q25-F32 WeakPolarHBondContact O-CD1 3.5Å; L26-F32 WeakPolarHBondContact O-CA 3.28Å; L27-F32 HydrophobicContact CB-CD1 3.99Å; L27-F32 HydrophobicContact CB-CE1 3.63Å; L27-F32 HydrophobicContact CB-CZ 4.16Å; L27-F32 HydrophobicContact CD1-CE2 4.48Å; L27-F32 HydrophobicContact CD1-CZ 4.46Å; F32-L68 HydrophobicContact CD1-CD2 3.94Å; F32-L68 HydrophobicContact CD2-CD2 4.43Å; F32-L68 HydrophobicContact CE1-CB 3.84Å; F32-L68 HydrophobicContact CE1-CD1 4.46Å; F32-L68 HydrophobicContact CE1-CD2 3.96Å; F32-L68 HydrophobicContact CE1-CG 4.31Å; F32-L68 HydrophobicContact CE2-CD1 4.35Å; F32-L68 HydrophobicContact CE2-CD2 4.46Å; F32-L68 HydrophobicContact CG-CD2 4.16Å; F32-L68 HydrophobicContact CZ-CB 4.15Å; F32-L68 HydrophobicContact CZ-CD1 4.04Å; F32-L68 HydrophobicContact CZ-CD2 4.22Å; F32-L68 HydrophobicContact CZ-CG 4.38Å; F32-A353 HydrophobicContact CE2-CB 4.37Å; F32-L356 HydrophobicContact CE2-CD1 4.12Å; F32-L356 HydrophobicContact CZ-CD1 3.58Å
33	V	95.8	Very high	94.4	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.255	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.1	178.7	-65	0	0	0	0	110.5	Q25 L26 V28 I31 Q35	Q25-V33 CarbonylContact C-O 3.57Å; Q25-V33 WeakPolarHBondContact CA-O 3.44Å; L26-V33 PolarHBondContact N-O 2.82Å; L26-V33 WeakPolarHBondContact O-CG2 3.49Å; L26-V33 PolarHBondContact O-N 2.82Å; V28-V33 HydrophobicContact CB-CG2 4.1Å; V28-V33 HydrophobicContact CG2-CG2 3.61Å; I31-V33 HydrophobicContact CD1-CG1 3.79Å; I31-V33 HydrophobicContact CG1-CG1 4.08Å; V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 HydrophobicContact CG2-CB 3.9Å; V33-Q35 PolarHBondContact O-N 2.84Å
34	E	95.5	Very high	94.3	Very high	124 Å²	124	51.3 Å²	51.3	58%	0.579	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	91.3	171.6	-65.3	-69.3	165.3	0	0	108.6	Q25	Q25-E34 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E34 PolarHBondContact NE2-OE1 3.34Å
35	Q	93.6	Very high	94.1	Very high	89 Å²	89	53.3 Å²	53.3	42%	0.416	27%	0.266	S	S	.	.			trans	-150.4	139.5	-175.4	-178.8	177.4	-21.8	0	0	109.9	L26 V33	L26-Q35 HydrophobicContact CB-CB 4.43Å; L26-Q35 WeakPolarHBondContact CB-O 3.37Å; L26-Q35 HydrophobicContact CD2-CB 4.46Å; L26-Q35 HydrophobicContact CD2-CG 4.33Å; V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 HydrophobicContact CG2-CB 3.9Å; V33-Q35 PolarHBondContact O-N 2.84Å
36	D	94.2	Very high	93.6	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.214	28%	0.275	C	S	.	.			trans	-76.3	145.6	176.1	-56.6	-24.7	0	0	0	111.9	R20 F21 I22	R20-D36 HydrophobicContact CG-CB 4.16Å; R20-D36 IonicContact CZ-OD2 2.67Å; R20-D36 IonicContact NE-OD2 2.91Å; R20-D36 PolarHBondContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD2 3.31Å; R20-D36 PolarHBondContact NH2-OD2 3.03Å; F21-D36 CarbonylContact O-C 3.46Å; F21-D36 WeakPolarHBondContact O-CA 3.29Å; F21-D36 VanDerWaalsContact O-CB 3.27Å; F21-D36 WeakPolarHBondContact O-CB 3.35Å; I22-D36 WeakPolarHBondContact CA-OD1 3.19Å; I22-D36 HydrophobicContact CG2-CB 4.41Å
37	L	95.5	Very high	92.6	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	170.8	-177.9	71.9	0	0	0	110.1	F21 L26 V39 V44 L69 L376 F384	F21-L37 HydrophobicContact CB-CB 4.17Å; F21-L37 HydrophobicContact CD2-CD2 4.49Å; F21-L37 PolarHBondContact N-O 2.86Å; F21-L37 PolarHBondContact O-N 2.99Å; L26-L37 HydrophobicContact CD1-CB 4.38Å; L26-L37 HydrophobicContact CD1-CD1 4.25Å; L26-L37 HydrophobicContact CD2-CD1 4.36Å; L37-V39 HydrophobicContact CD2-CG2 4.08Å; L37-V39 HydrophobicContact CG-CG2 4.1Å; L37-V44 HydrophobicContact CD1-CB 4.46Å; L37-V44 HydrophobicContact CD1-CG1 3.64Å; L37-V44 HydrophobicContact CD1-CG2 4.02Å; L37-L69 HydrophobicContact CB-CD1 4.23Å; L37-L69 HydrophobicContact CD2-CD1 4.11Å; L37-L69 HydrophobicContact CD2-CD2 3.79Å; L37-L376 HydrophobicContact CD1-CB 4.07Å; L37-L376 HydrophobicContact CD2-CD1 4.42Å; L37-L376 HydrophobicContact CD2-CD2 4.42Å; L37-F384 HydrophobicContact CD2-CD1 3.85Å; L37-F384 HydrophobicContact CD2-CE1 3.8Å; L37-F384 HydrophobicContact CD2-CG 4.38Å; L37-F384 HydrophobicContact CD2-CZ 4.28Å
38	W	95.1	Very high	90.9	Very high	9 Å²	9	62.3 Å²	62.3	3%	0.034	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.6	176.9	-69.8	72.3	0	0	0	110	L18 R20 V44 I45 V50 F51 A58	L18-W38 HydrophobicContact CD1-CE3 3.99Å; L18-W38 HydrophobicContact CD1-CZ3 4.41Å; L18-W38 HydrophobicContact CD2-CZ3 4.34Å; L18-W38 HydrophobicContact CG-CE3 4.42Å; L18-W38 HydrophobicContact CG-CZ3 4.38Å; R20-W38 HydrophobicContact CB-CD2 4.33Å; R20-W38 HydrophobicContact CB-CE3 4.32Å; R20-W38 HydrophobicContact CB-CH2 4.17Å; R20-W38 HydrophobicContact CB-CZ2 4.12Å; R20-W38 HydrophobicContact CB-CZ3 4.27Å; R20-W38 HydrophobicContact CG-CD2 4.16Å; R20-W38 HydrophobicContact CG-CH2 4.08Å; R20-W38 HydrophobicContact CG-CZ2 3.54Å; W38-V44 WeakPolarHBondContact O-CA 3.33Å; W38-I45 HydrophobicContact CB-CD1 4.2Å; W38-I45 HydrophobicContact CB-CG1 3.55Å; W38-I45 PolarHBondContact O-N 2.8Å; W38-V50 HydrophobicContact CE3-CB 4.37Å; W38-V50 HydrophobicContact CE3-CG1 4.02Å; W38-V50 HydrophobicContact CE3-CG2 4.29Å; W38-V50 HydrophobicContact CH2-CG1 4.46Å; W38-V50 HydrophobicContact CZ3-CB 4.38Å; W38-V50 HydrophobicContact CZ3-CG1 3.67Å; W38-F51 AromaticContact CH2-CD2 3.86Å; W38-F51 HydrophobicContact CH2-CD2 3.86Å; W38-F51 AromaticContact CH2-CE2 3.32Å; W38-F51 HydrophobicContact CH2-CE2 3.32Å; W38-F51 AromaticContact CH2-CZ 3.89Å; W38-F51 HydrophobicContact CH2-CZ 3.89Å; W38-F51 AromaticContact CZ2-CD2 3.79Å; W38-F51 HydrophobicContact CZ2-CD2 3.79Å; W38-F51 AromaticContact CZ2-CE2 3.24Å; W38-F51 HydrophobicContact CZ2-CE2 3.24Å; W38-F51 HydrophobicContact CZ2-CZ 4.15Å; W38-A58 HydrophobicContact CH2-CB 4.29Å; W38-A58 HydrophobicContact CZ3-CB 3.93Å
39	V	95.2	Very high	89.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135	-178.3	-179	0	0	0	0	109.9	V19 F21 L37 R43 A382	V19-V39 PolarHBondContact N-O 3.5Å; V19-V39 PolarHBondContact O-N 2.81Å; F21-V39 HydrophobicContact CD2-CG2 4.1Å; F21-V39 HydrophobicContact CE2-CB 4.25Å; F21-V39 HydrophobicContact CE2-CG2 3.83Å; L37-V39 HydrophobicContact CD2-CG2 4.08Å; L37-V39 HydrophobicContact CG-CG2 4.1Å; V39-R43 CarbonylContact C-O 3.48Å; V39-R43 VanDerWaalsContact CA-O 3.25Å; V39-R43 WeakPolarHBondContact CA-O 3.36Å; V39-A382 HydrophobicContact CB-CB 4.27Å; V39-A382 HydrophobicContact CG1-CB 3.52Å; V39-A382 HydrophobicContact CG2-CB 3.68Å
40	H	93.6	Very high	88	Confident	85 Å²	85	60 Å²	60	39%	0.394	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.3	173	-172.7	145.9	0	0	0	108.1	L18 G42 R43 I45	L18-H40 HydrophobicContact CD1-CB 4.08Å; H40-G42 VanDerWaalsContact C-N 3.29Å; H40-G42 PolarHBondContact O-N 3.34Å; H40-R43 PolarHBondContact N-O 2.83Å; H40-R43 PolarHBondContact O-N 2.91Å; H40-I45 HydrophobicContact CB-CD1 3.88Å; H40-I45 HydrophobicContact CB-CG2 4.09Å
41	N	92.2	Very high	86.6	Confident	99 Å²	99	59.4 Å²	59.4	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.4	178	-169.1	19.6	0	0	0	112.5	R43	N41-R43 PolarHBondContact O-N 2.92Å; N41-R43 VanDerWaalsContact O-N 3.16Å
42	G	93.1	Very high	84.7	Confident	10 Å²	10	62.4 Å²	62.4	10%	0.103	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	2	179.2	0	0	0	0	0	116.4	H40 A382 D399	H40-G42 VanDerWaalsContact C-N 3.29Å; H40-G42 PolarHBondContact O-N 3.34Å; G42-A382 WeakPolarHBondContact O-CB 3.38Å; G42-A382 PolarHBondContact O-N 2.94Å; G42-D399 WeakPolarHBondContact CA-O 3.07Å
43	R	95.2	Very high	82.9	Confident	105 Å²	105	67.2 Å²	67.2	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.3	-177.2	-63.2	-73.5	179.4	-174.5	-22.2	111.4	V39 H40 N41 G379 C380 D381	V39-R43 CarbonylContact C-O 3.48Å; V39-R43 VanDerWaalsContact CA-O 3.25Å; V39-R43 WeakPolarHBondContact CA-O 3.36Å; H40-R43 PolarHBondContact N-O 2.83Å; H40-R43 PolarHBondContact O-N 2.91Å; N41-R43 PolarHBondContact O-N 2.92Å; N41-R43 VanDerWaalsContact O-N 3.16Å; R43-G379 PolarHBondContact NH1-O 2.49Å; R43-G379 VanDerWaalsContact NH1-O 3.09Å; R43-C380 WeakPolarHBondContact CA-O 3.45Å; R43-D381 IonicContact CZ-OD1 2.71Å; R43-D381 IonicContact NE-OD1 2.61Å; R43-D381 IonicContact NH1-OD1 2.68Å; R43-D381 PolarHBondContact NH1-OD1 2.83Å; R43-D381 IonicContact NH2-OD1 2.82Å; R43-D381 PolarHBondContact NH2-OD1 2.95Å
44	V	95.6	Very high	81.3	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.024	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135	165.4	-178.6	0	0	0	0	108.8	L37 W38 L376 K377 P378 G379 C380 A382	L37-V44 HydrophobicContact CD1-CB 4.46Å; L37-V44 HydrophobicContact CD1-CG1 3.64Å; L37-V44 HydrophobicContact CD1-CG2 4.02Å; W38-V44 WeakPolarHBondContact O-CA 3.33Å; V44-L376 HydrophobicContact CG2-CB 4.5Å; V44-L376 HydrophobicContact CG2-CD2 4.02Å; V44-K377 WeakPolarHBondContact CB-O 3.15Å; V44-P378 CarbonylContact O-C 3.58Å; V44-P378 WeakPolarHBondContact O-CA 3.35Å; V44-G379 PolarHBondContact O-N 2.87Å; V44-C380 PolarHBondContact N-O 2.73Å; V44-A382 HydrophobicContact CG2-CB 4.13Å
45	I	93.5	Very high	79.9	Confident	43 Å²	43	74.4 Å²	74.4	22%	0.221	35%	0.348	C	S	.	.			trans	-124.1	161	178.7	63.9	175.5	0	0	0	111.3	L18 W38 H40 V50	L18-I45 HydrophobicContact CD1-CD1 3.42Å; L18-I45 VanDerWaalsContact CD1-CD1 3.42Å; W38-I45 HydrophobicContact CB-CD1 4.2Å; W38-I45 HydrophobicContact CB-CG1 3.55Å; W38-I45 PolarHBondContact O-N 2.8Å; H40-I45 HydrophobicContact CB-CD1 3.88Å; H40-I45 HydrophobicContact CB-CG2 4.09Å; I45-V50 HydrophobicContact CD1-CG2 3.36Å; I45-V50 HydrophobicContact CG1-CG2 4.18Å
46	E	86.3	Confident	78.8	Confident	101 Å²	101	73 Å²	73	47%	0.472	35%	0.345	S	S	.	.			trans	-78.2	129	177	-166.8	156	-164.5	0	0	110.5	F48 D49 P378	E46-F48 HydrophobicContact CG-CB 4.26Å; E46-F48 PolarHBondContact O-N 2.86Å; E46-D49 PolarHBondContact O-N 2.82Å; E46-P378 HydrophobicContact CB-CB 4.21Å; E46-P378 HydrophobicContact CB-CG 3.82Å; E46-P378 HydrophobicContact CG-CG 4.34Å
47	S	75.7	Confident	78.1	Confident	46 Å²	46	76.2 Å²	76.2	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-24.8	-177.6	58.7	0	0	0	0	113.1	F51	S47-F51 PolarHBondContact O-N 3.49Å
48	F	61.7	Low	77.8	Confident	116 Å²	116	76.1 Å²	76.1	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-69.9	-42.5	-179	-159.6	-90.6	0	0	0	111.9	E46 V50 F51 Y52	E46-F48 HydrophobicContact CG-CB 4.26Å; E46-F48 PolarHBondContact O-N 2.86Å; F48-V50 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 3.42Å; F48-F51 PolarHBondContact O-N 2.79Å; F48-Y52 HydrophobicContact CD2-CD2 4.06Å; F48-Y52 HydrophobicContact CE1-CD2 4.43Å; F48-Y52 HydrophobicContact CE1-CG 4.26Å; F48-Y52 AromaticContact CE2-CD2 3.72Å; F48-Y52 HydrophobicContact CE2-CD2 3.72Å; F48-Y52 HydrophobicContact CE2-CE2 4.02Å; F48-Y52 HydrophobicContact CE2-CG 4.26Å; F48-Y52 AromaticContact CZ-CD2 3.92Å; F48-Y52 HydrophobicContact CZ-CD2 3.92Å; F48-Y52 HydrophobicContact CZ-CE2 4.44Å; F48-Y52 AromaticContact CZ-CG 3.98Å; F48-Y52 HydrophobicContact CZ-CG 3.98Å; F48-Y52 PolarHBondContact O-N 3.43Å
49	D	60.2	Low	77.6	Confident	76 Å²	76	79.4 Å²	79.4	41%	0.406	38%	0.38	S	S	.	.	I	π-helix	trans	-61.3	-42.2	-179.2	-65	-13.9	0	0	0	111	E46 E53 E54	E46-D49 PolarHBondContact O-N 2.82Å; D49-E53 WeakPolarHBondContact O-CB 3.41Å; D49-E53 PolarHBondContact O-N 3.23Å; D49-E54 PolarHBondContact O-N 2.9Å
50	V	58.9	Low	77.6	Confident	7 Å²	7	82 Å²	82	4%	0.042	39%	0.39	C	S	.	.	I	π-helix	trans	-67.7	-47.3	-177.6	-177.1	0	0	0	0	112.3	L18 W38 I45 F48 K55 V56	L18-V50 HydrophobicContact CD1-CG1 4.45Å; L18-V50 HydrophobicContact CD1-CG2 4.45Å; L18-V50 HydrophobicContact CD2-CG1 3.65Å; W38-V50 HydrophobicContact CE3-CB 4.37Å; W38-V50 HydrophobicContact CE3-CG1 4.02Å; W38-V50 HydrophobicContact CE3-CG2 4.29Å; W38-V50 HydrophobicContact CH2-CG1 4.46Å; W38-V50 HydrophobicContact CZ3-CB 4.38Å; W38-V50 HydrophobicContact CZ3-CG1 3.67Å; I45-V50 HydrophobicContact CD1-CG2 3.36Å; I45-V50 HydrophobicContact CG1-CG2 4.18Å; F48-V50 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 3.42Å; V50-K55 PolarHBondContact O-N 3.45Å; V50-V56 WeakPolarHBondContact CG1-O 3.08Å; V50-V56 PolarHBondContact O-N 3.4Å
51	F	57.7	Low	77.6	Confident	81 Å²	81	78.1 Å²	78.1	36%	0.355	37%	0.372	S	S	.	.	I	π-helix	trans	-83.3	-39.8	-172	-99.4	-63.3	0	0	0	114	W38 S47 F48	W38-F51 AromaticContact CH2-CD2 3.86Å; W38-F51 HydrophobicContact CH2-CD2 3.86Å; W38-F51 AromaticContact CH2-CE2 3.32Å; W38-F51 HydrophobicContact CH2-CE2 3.32Å; W38-F51 AromaticContact CH2-CZ 3.89Å; W38-F51 HydrophobicContact CH2-CZ 3.89Å; W38-F51 AromaticContact CZ2-CD2 3.79Å; W38-F51 HydrophobicContact CZ2-CD2 3.79Å; W38-F51 AromaticContact CZ2-CE2 3.24Å; W38-F51 HydrophobicContact CZ2-CE2 3.24Å; W38-F51 HydrophobicContact CZ2-CZ 4.15Å; S47-F51 PolarHBondContact O-N 3.49Å; F48-F51 PolarHBondContact O-N 2.79Å
52	Y	53.9	Low	77.8	Confident	173 Å²	173	73.4 Å²	73.4	68%	0.678	35%	0.347	S	S	*	.	I	π-helix	trans	-93.3	-40.2	-172.6	-91.5	-85.7	0	0	0	113.3	F48	F48-Y52 HydrophobicContact CD2-CD2 4.06Å; F48-Y52 HydrophobicContact CE1-CD2 4.43Å; F48-Y52 HydrophobicContact CE1-CG 4.26Å; F48-Y52 AromaticContact CE2-CD2 3.72Å; F48-Y52 HydrophobicContact CE2-CD2 3.72Å; F48-Y52 HydrophobicContact CE2-CE2 4.02Å; F48-Y52 HydrophobicContact CE2-CG 4.26Å; F48-Y52 AromaticContact CZ-CD2 3.92Å; F48-Y52 HydrophobicContact CZ-CD2 3.92Å; F48-Y52 HydrophobicContact CZ-CE2 4.44Å; F48-Y52 AromaticContact CZ-CG 3.98Å; F48-Y52 HydrophobicContact CZ-CG 3.98Å; F48-Y52 PolarHBondContact O-N 3.43Å
53	E	58.9	Low	78.1	Confident	154 Å²	154	74.6 Å²	74.6	72%	0.72	35%	0.351	S	S	*	.	I	π-helix	trans	-86.1	-50	-177.9	-60.1	-158.9	153.8	0	0	111.6	D49	D49-E53 WeakPolarHBondContact O-CB 3.41Å; D49-E53 PolarHBondContact O-N 3.23Å
54	E	62.3	Low	78.2	Confident	135 Å²	135	69.6 Å²	69.6	63%	0.631	33%	0.332	S	S	*	.	I	π-helix	trans	-89.1	-21.8	-173.9	-57.5	-164	157.9	0	0	113.9	D49 V56	D49-E54 PolarHBondContact O-N 2.9Å; E54-V56 HydrophobicContact CB-CB 4.39Å; E54-V56 HydrophobicContact CB-CG2 3.71Å; E54-V56 PolarHBondContact O-N 3.34Å
55	K	66.3	Low	78.2	Confident	182 Å²	182	72.9 Å²	72.9	79%	0.791	35%	0.347	S	S	*	.			trans	53.9	36.6	-172.9	-58.7	-178.2	178.7	177.3	0	112.9	V50	V50-K55 PolarHBondContact O-N 3.45Å
56	V	70.3	Confident	78.4	Confident	59 Å²	59	76.3 Å²	76.3	36%	0.358	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-99.3	125.8	-178.2	-178.4	0	0	0	0	108.9	L18 V50 E54	L18-V56 HydrophobicContact CD2-CG1 3.87Å; V50-V56 WeakPolarHBondContact CG1-O 3.08Å; V50-V56 PolarHBondContact O-N 3.4Å; E54-V56 HydrophobicContact CB-CB 4.39Å; E54-V56 HydrophobicContact CB-CG2 3.71Å; E54-V56 PolarHBondContact O-N 3.34Å
57	D	79.1	Confident	79	Confident	108 Å²	108	72.8 Å²	72.8	58%	0.578	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-78.4	147.6	167.2	-84.4	-38.6	0	0	0	109.6
58	A	88.5	Confident	80	Confident	1 Å²	1	71 Å²	71	1%	0.008	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-57.9	141.6	174.9	0	0	0	0	0	111.9	M1 L18 R20 W38 Y60	M1-A58 WeakPolarHBondContact CA-O 3.47Å; M1-A58 VanDerWaalsContact CB-O 3.24Å; M1-A58 WeakPolarHBondContact CB-O 3.37Å; M1-A58 PolarHBondContact N-O 2.81Å; L18-A58 HydrophobicContact CG-CB 4.36Å; R20-A58 HydrophobicContact CB-CB 3.85Å; W38-A58 HydrophobicContact CH2-CB 4.29Å; W38-A58 HydrophobicContact CZ3-CB 3.93Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 WeakPolarHBondContact CB-O 3.27Å
59	D	91.7	Very high	81.8	Confident	78 Å²	78	65.5 Å²	65.5	42%	0.417	31%	0.309	S	S	.	.	S	Bend	trans	-62.5	-46.1	172.3	-63.9	-56.7	0	0	0	109.4	M1 K2 L18	M1-D59 CarbonylContact C-O 3.53Å; M1-D59 WeakPolarHBondContact CA-O 3.47Å; K2-D59 PolarHBondContact N-O 2.94Å; L18-D59 PolarHBondContact N-OD2 3.04Å; L18-D59 PolarHBondContact O-N 2.84Å
60	Y	94.4	Very high	83.6	Confident	59 Å²	59	61.9 Å²	61.9	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.7	179.7	-62	-92.6	0	0	0	111.8	K2 L4 L14 S17 L18 R20 A58	K2-Y60 HydrophobicContact CB-CD1 4.07Å; K2-Y60 HydrophobicContact CB-CE1 4.29Å; K2-Y60 HydrophobicContact CD-CD1 4.44Å; K2-Y60 HydrophobicContact CD-CE1 4.07Å; K2-Y60 CarbonylContact O-C 3.47Å; K2-Y60 WeakPolarHBondContact O-CA 3.25Å; L4-Y60 HydrophobicContact CD1-CD1 3.79Å; L4-Y60 HydrophobicContact CD1-CE1 4.29Å; L4-Y60 HydrophobicContact CG-CD1 4.43Å; L14-Y60 HydrophobicContact CD1-CD2 4.39Å; L14-Y60 HydrophobicContact CD1-CG 4.18Å; L14-Y60 HydrophobicContact CD2-CD1 3.94Å; L14-Y60 HydrophobicContact CD2-CD2 4.16Å; L14-Y60 HydrophobicContact CD2-CE1 3.85Å; L14-Y60 HydrophobicContact CD2-CE2 4.12Å; L14-Y60 HydrophobicContact CD2-CG 4.08Å; S17-Y60 WeakPolarHBondContact OG-CE2 3.37Å; L18-Y60 PolarHBondContact O-N 3.08Å; R20-Y60 PolarHBondContact N-O 2.91Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 WeakPolarHBondContact CB-O 3.27Å
61	C	94.4	Very high	85.5	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.9	168.4	-176.6	0	0	0	0	108.6	M1 K2 C3 L4 R20 I22	M1-C61 HydrophobicContact CE-CB 4.48Å; M1-C61 HydrophobicContact CG-CB 3.77Å; M1-C61 HydrophobicContact SD-CB 3.75Å; K2-C61 PolarHBondContact O-N 3.23Å; C3-C61 CarbonylContact C-O 3.58Å; C3-C61 VanDerWaalsContact CA-O 3.3Å; C3-C61 WeakPolarHBondContact CA-O 3.37Å; L4-C61 PolarHBondContact N-O 3.16Å; R20-C61 CarbonylContact O-C 3.53Å; R20-C61 VanDerWaalsContact O-CA 3.28Å; R20-C61 WeakPolarHBondContact O-CA 3.3Å; I22-C61 WeakPolarHBondContact CD1-SG 3.42Å; I22-C61 WeakPolarHBondContact CG1-SG 3.42Å; I22-C61 WeakPolarHBondContact CG2-SG 3.4Å
62	I	97.1	Very high	87.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.7	-179.1	-62.4	174.3	0	0	0	108	L4 W6 V11 L14 V19 R20 F21 I22 C64	L4-I62 WeakPolarHBondContact O-CA 3.32Å; W6-I62 HydrophobicContact CB-CG2 3.9Å; V11-I62 HydrophobicContact CB-CD1 4.49Å; V11-I62 HydrophobicContact CG1-CD1 3.77Å; V11-I62 HydrophobicContact CG2-CD1 4.06Å; V11-I62 HydrophobicContact CG2-CG1 4.29Å; L14-I62 HydrophobicContact CD1-CD1 3.95Å; V19-I62 HydrophobicContact CG1-CD1 3.49Å; V19-I62 VanDerWaalsContact CG1-CD1 3.49Å; V19-I62 HydrophobicContact CG1-CG1 3.95Å; R20-I62 PolarHBondContact O-N 3.15Å; F21-I62 CarbonylContact C-O 3.58Å; F21-I62 WeakPolarHBondContact CA-O 3.27Å; F21-I62 HydrophobicContact CD1-CB 3.81Å; F21-I62 HydrophobicContact CD1-CD1 4.09Å; F21-I62 HydrophobicContact CD1-CG2 3.82Å; F21-I62 HydrophobicContact CE1-CB 4.02Å; F21-I62 HydrophobicContact CE1-CD1 3.43Å; F21-I62 VanDerWaalsContact CE1-CD1 3.43Å; F21-I62 HydrophobicContact CE1-CG1 4.31Å; F21-I62 HydrophobicContact CE1-CG2 3.94Å; F21-I62 HydrophobicContact CE2-CD1 4.36Å; F21-I62 HydrophobicContact CG-CB 4.42Å; F21-I62 HydrophobicContact CZ-CD1 3.57Å; I22-I62 PolarHBondContact N-O 3.21Å; I62-C64 PolarHBondContact O-N 3.12Å
63	D	97.8	Very high	89.5	Confident	34 Å²	34	50 Å²	50	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.6	174.2	177.6	6.4	0	0	0	109.9	L4 K5 W6 I22 N23 E65	L4-D63 PolarHBondContact O-N 3.31Å; K5-D63 HydrophobicContact CD-CB 4.2Å; K5-D63 IonicContact NZ-OD2 3.19Å; K5-D63 PolarHBondContact NZ-OD2 2.77Å; W6-D63 PolarHBondContact N-O 2.85Å; W6-D63 VanDerWaalsContact N-O 3.16Å; I22-D63 HydrophobicContact CG1-CB 4.3Å; N23-D63 WeakPolarHBondContact CB-OD1 3.39Å; N23-D63 PolarHBondContact ND2-OD1 3.21Å; D63-E65 PolarHBondContact OD1-N 3.36Å
64	C	97.8	Very high	91.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.			trans	-90	2.2	-179.7	-68.6	0	0	0	0	113.7	I22 N23 C24 I62 H66 L67 L386	I22-C64 WeakPolarHBondContact O-CB 3.21Å; I22-C64 PolarHBondContact O-N 2.83Å; N23-C64 CarbonylContact O-C 3.57Å; C24-C64 HydrophobicContact CB-CB 3.63Å; I62-C64 PolarHBondContact O-N 3.12Å; C64-H66 VanDerWaalsContact C-N 3.34Å; C64-H66 PolarHBondContact O-N 2.99Å; C64-L67 VanDerWaalsContact O-CB 3.25Å; C64-L67 WeakPolarHBondContact O-CB 3.38Å; C64-L67 WeakPolarHBondContact O-CD1 3.47Å; C64-L67 WeakPolarHBondContact O-CG 3.41Å; C64-L67 PolarHBondContact O-N 3.33Å; C64-L67 VanDerWaalsContact O-N 3.08Å; C64-L386 HydrophobicContact CB-CD2 4.17Å
65	E	96.8	Very high	93.1	Very high	73 Å²	73	36.3 Å²	36.3	34%	0.341	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.7	171.1	-54.9	-168.3	126	0	0	114.9	K5 W6 Y7 N23 D63 L67	K5-E65 HydrophobicContact CD-CG 4.29Å; K5-E65 IonicContact NZ-OE1 3.06Å; K5-E65 PolarHBondContact NZ-OE1 3.26Å; W6-E65 PolarHBondContact NE1-OE2 3.03Å; W6-E65 VanDerWaalsContact NE1-OE2 3.15Å; Y7-E65 WeakPolarHBondContact CE1-OE2 3.25Å; N23-E65 PolarHBondContact O-N 3.5Å; D63-E65 PolarHBondContact OD1-N 3.36Å; E65-L67 PolarHBondContact O-N 3.15Å
66	H	96.8	Very high	94.6	Very high	115 Å²	115	27.9 Å²	27.9	53%	0.532	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.8	-177.9	-53.4	-79.9	0	0	0	115.1	N23 C64	N23-H66 PolarHBondContact ND2-NE2 2.94Å; N23-H66 WeakPolarHBondContact O-CA 3.18Å; N23-H66 PolarHBondContact O-N 3.09Å; N23-H66 PolarHBondContact OD1-CE1 3.28Å; N23-H66 PolarHBondContact OD1-ND1 3.26Å; N23-H66 PolarHBondContact OD1-NE2 2.83Å; C64-H66 VanDerWaalsContact C-N 3.34Å; C64-H66 PolarHBondContact O-N 2.99Å
67	L	98	Very high	95.9	Very high	28 Å²	28	25.2 Å²	25.2	15%	0.147	13%	0.125	C	C	.	.			trans	-65	153.9	175	-65.5	170.6	0	0	0	111.2	C24 Q25 C64 E65 L386 L387 V394	C24-L67 WeakPolarHBondContact CA-O 3.33Å; C24-L67 VanDerWaalsContact CB-O 3.29Å; C24-L67 WeakPolarHBondContact CB-O 3.46Å; Q25-L67 PolarHBondContact N-O 2.72Å; Q25-L67 VanDerWaalsContact N-O 3.11Å; C64-L67 VanDerWaalsContact O-CB 3.25Å; C64-L67 WeakPolarHBondContact O-CB 3.38Å; C64-L67 WeakPolarHBondContact O-CD1 3.47Å; C64-L67 WeakPolarHBondContact O-CG 3.41Å; C64-L67 PolarHBondContact O-N 3.33Å; C64-L67 VanDerWaalsContact O-N 3.08Å; E65-L67 PolarHBondContact O-N 3.15Å; L67-L386 HydrophobicContact CB-CB 4.44Å; L67-L386 HydrophobicContact CB-CD2 4.5Å; L67-L386 HydrophobicContact CD1-CB 4.07Å; L67-L386 HydrophobicContact CD1-CD1 4.33Å; L67-L387 WeakPolarHBondContact CD2-O 3.4Å; L67-V394 HydrophobicContact CD1-CB 4.15Å; L67-V394 HydrophobicContact CD1-CG1 3.84Å; L67-V394 HydrophobicContact CD1-CG2 4.28Å; L67-V394 HydrophobicContact CD2-CG2 4.08Å
68	L	98.2	Very high	96.6	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.047	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	170.6	-57.2	178.1	0	0	0	108.8	Q25 F32 L386 L387 L391	Q25-L68 HydrophobicContact CB-CD2 3.79Å; Q25-L68 VanDerWaalsContact OE1-CD2 3.26Å; F32-L68 HydrophobicContact CD1-CD2 3.94Å; F32-L68 HydrophobicContact CD2-CD2 4.43Å; F32-L68 HydrophobicContact CE1-CB 3.84Å; F32-L68 HydrophobicContact CE1-CD1 4.46Å; F32-L68 HydrophobicContact CE1-CD2 3.96Å; F32-L68 HydrophobicContact CE1-CG 4.31Å; F32-L68 HydrophobicContact CE2-CD1 4.35Å; F32-L68 HydrophobicContact CE2-CD2 4.46Å; F32-L68 HydrophobicContact CG-CD2 4.16Å; F32-L68 HydrophobicContact CZ-CB 4.15Å; F32-L68 HydrophobicContact CZ-CD1 4.04Å; F32-L68 HydrophobicContact CZ-CD2 4.22Å; F32-L68 HydrophobicContact CZ-CG 4.38Å; L68-L386 CarbonylContact O-C 3.56Å; L68-L386 WeakPolarHBondContact O-CA 3.38Å; L68-L387 HydrophobicContact CB-CB 4.07Å; L68-L387 PolarHBondContact N-O 3.45Å; L68-L387 PolarHBondContact O-N 2.85Å; L68-L391 HydrophobicContact CD1-CD2 3.94Å
69	L	98.2	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.7	176.5	-157.2	163.1	0	0	0	108.6	F21 C24 Q25 L26 L27 L37 L376 F384 L385 L386	F21-L69 HydrophobicContact CB-CD1 4.19Å; C24-L69 HydrophobicContact CB-CB 4.24Å; C24-L69 HydrophobicContact CB-CD1 4.5Å; Q25-L69 PolarHBondContact O-N 2.89Å; L26-L69 HydrophobicContact CD1-CB 4.26Å; L26-L69 HydrophobicContact CD1-CD2 3.67Å; L26-L69 HydrophobicContact CD1-CG 4.43Å; L27-L69 PolarHBondContact N-O 3.29Å; L37-L69 HydrophobicContact CB-CD1 4.23Å; L37-L69 HydrophobicContact CD2-CD1 4.11Å; L37-L69 HydrophobicContact CD2-CD2 3.79Å; L69-L376 HydrophobicContact CD2-CD1 3.2Å; L69-F384 HydrophobicContact CD1-CD2 4.1Å; L69-F384 HydrophobicContact CD1-CE2 4.03Å; L69-F384 HydrophobicContact CD2-CB 3.73Å; L69-F384 HydrophobicContact CD2-CD1 4.43Å; L69-F384 HydrophobicContact CD2-CD2 3.56Å; L69-F384 HydrophobicContact CD2-CE2 4.27Å; L69-F384 HydrophobicContact CD2-CG 3.67Å; L69-F384 HydrophobicContact CG-CD2 3.73Å; L69-F384 HydrophobicContact CG-CE2 4.17Å; L69-F384 HydrophobicContact CG-CG 4.35Å; L69-L385 WeakPolarHBondContact CA-O 3.29Å; L69-L386 HydrophobicContact CB-CD2 4.19Å; L69-L386 HydrophobicContact CD1-CD2 3.98Å; L69-L386 HydrophobicContact CG-CD2 3.87Å
70	A	98.4	Very high	96.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152	-176.1	0	0	0	0	0	111.7	L27 S72 L356 F384 L385 L387	L27-A70 HydrophobicContact CB-CB 4.16Å; L27-A70 HydrophobicContact CD2-CB 4Å; A70-S72 PolarHBondContact O-N 2.78Å; A70-L356 HydrophobicContact CB-CD1 3.91Å; A70-L356 HydrophobicContact CB-CD2 4.45Å; A70-F384 CarbonylContact O-C 3.33Å; A70-F384 VanDerWaalsContact O-CA 3.24Å; A70-F384 WeakPolarHBondContact O-CA 2.98Å; A70-F384 VanDerWaalsContact O-CB 3.23Å; A70-F384 WeakPolarHBondContact O-CB 3.35Å; A70-L385 PolarHBondContact N-O 2.7Å; A70-L385 VanDerWaalsContact N-O 3.13Å; A70-L385 PolarHBondContact O-N 3.15Å; A70-L387 HydrophobicContact CB-CD1 3.95Å
71	P	98.4	Very high	96.4	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.039	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	141.9	173.8	-15.6	26.1	0	0	0	110.6	L376	P71-L376 HydrophobicContact CB-CG 4.41Å; P71-L376 HydrophobicContact CG-CD1 4.41Å; P71-L376 HydrophobicContact CG-CG 4.06Å
72	S	98.1	Very high	95.7	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.035	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-65.2	165	177.2	64.9	0	0	0	0	112.7	A70 T110 S360 D383	A70-S72 PolarHBondContact O-N 2.78Å; S72-T110 VanDerWaalsContact CB-CG2 3.49Å; S72-T110 WeakPolarHBondContact CB-OG1 3.34Å; S72-T110 PolarHBondContact OG-OG1 2.89Å; S72-S360 WeakPolarHBondContact O-CB 3.17Å; S72-D383 PolarHBondContact N-O 2.98Å; S72-D383 VanDerWaalsContact N-O 3.07Å; S72-D383 VanDerWaalsContact OG-CB 3.28Å; S72-D383 WeakPolarHBondContact OG-CB 3.46Å; S72-D383 PolarHBondContact OG-O 3.39Å
73	F	98.6	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148.5	-175.5	-50.8	-40.1	0	0	0	113	Y107 G108 V109 T110 S111 M337 V338 V341 L356 A359 L385 I393	F73-Y107 WeakPolarHBondContact CD2-O 3.41Å; F73-G108 WeakPolarHBondContact CB-O 3.32Å; F73-G108 WeakPolarHBondContact CD2-O 3.33Å; F73-G108 PolarHBondContact N-O 2.88Å; F73-V109 HydrophobicContact CB-CB 4.49Å; F73-V109 HydrophobicContact CB-CG2 3.92Å; F73-V109 HydrophobicContact CD2-CG2 4.48Å; F73-V109 WeakPolarHBondContact O-CA 3.41Å; F73-T110 PolarHBondContact O-N 2.92Å; F73-T110 VanDerWaalsContact O-N 3.09Å; F73-S111 PolarHBondContact O-N 2.88Å; F73-M337 HydrophobicContact CB-CB 4.49Å; F73-M337 HydrophobicContact CB-CG 3.68Å; F73-M337 HydrophobicContact CD1-CG 4.41Å; F73-M337 HydrophobicContact CD2-CB 3.86Å; F73-M337 HydrophobicContact CD2-CG 3.53Å; F73-M337 HydrophobicContact CE2-CB 4.49Å; F73-M337 HydrophobicContact CE2-CG 4.26Å; F73-M337 HydrophobicContact CG-CB 4.4Å; F73-M337 HydrophobicContact CG-CG 3.62Å; F73-V338 HydrophobicContact CE2-CB 3.93Å; F73-V338 HydrophobicContact CE2-CG2 4.44Å; F73-V341 HydrophobicContact CE1-CG2 4.08Å; F73-V341 HydrophobicContact CZ-CG2 4.08Å; F73-L356 HydrophobicContact CE1-CD2 3.74Å; F73-L356 HydrophobicContact CZ-CD2 4.07Å; F73-A359 CarbonylContact C-O 3.58Å; F73-A359 VanDerWaalsContact CA-O 3.27Å; F73-A359 WeakPolarHBondContact CA-O 3.45Å; F73-A359 HydrophobicContact CB-CB 4.34Å; F73-A359 HydrophobicContact CD1-CB 3.47Å; F73-A359 VanDerWaalsContact CD1-CB 3.47Å; F73-A359 HydrophobicContact CE1-CB 4Å; F73-A359 HydrophobicContact CG-CB 4.04Å; F73-L385 HydrophobicContact CD1-CD1 4.11Å; F73-L385 HydrophobicContact CD2-CD1 3.95Å; F73-L385 HydrophobicContact CE1-CD1 3.7Å; F73-L385 HydrophobicContact CE2-CD1 3.52Å; F73-L385 HydrophobicContact CG-CD1 4.23Å; F73-L385 HydrophobicContact CZ-CD1 3.39Å; F73-I393 HydrophobicContact CE2-CD1 4.24Å
74	I	98.6	Very high	94.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.8	174.9	-52.9	178.6	0	0	0	108.4	L76 S111 L145 A359 P363 A364 K373	I74-L76 HydrophobicContact CG2-CD2 3.8Å; I74-S111 VanDerWaalsContact CA-O 3.25Å; I74-S111 WeakPolarHBondContact CA-O 3.45Å; I74-L145 HydrophobicContact CG2-CD1 3.57Å; I74-A359 PolarHBondContact N-O 2.96Å; I74-P363 HydrophobicContact CB-CB 4.13Å; I74-P363 HydrophobicContact CB-CG 3.97Å; I74-P363 HydrophobicContact CG2-CB 4.16Å; I74-A364 HydrophobicContact CD1-CB 3.79Å; I74-K373 HydrophobicContact CD1-CB 4.11Å
75	D	97.9	Very high	94.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.7	180	-163.3	-16.8	0	0	0	112.3	Q77 V78 V109 S111 F112 C113 T298 M337	D75-Q77 PolarHBondContact OD1-N 3.08Å; D75-V78 HydrophobicContact CB-CG2 3.79Å; D75-V109 HydrophobicContact CB-CG1 3.98Å; D75-V109 HydrophobicContact CB-CG2 4.44Å; D75-S111 PolarHBondContact N-O 2.61Å; D75-F112 HydrophobicContact CB-CB 4.26Å; D75-F112 CarbonylContact O-C 3.56Å; D75-F112 WeakPolarHBondContact O-CA 3.4Å; D75-F112 VanDerWaalsContact O-CB 3.22Å; D75-F112 WeakPolarHBondContact O-CB 3.41Å; D75-C113 PolarHBondContact O-N 3.42Å; D75-T298 PolarHBondContact OD1-N 2.77Å; D75-T298 WeakPolarHBondContact OD2-CB 3.28Å; D75-T298 WeakPolarHBondContact OD2-CG2 3.19Å; D75-T298 PolarHBondContact OD2-N 2.77Å; D75-T298 PolarHBondContact OD2-OG1 3.44Å; D75-M337 HydrophobicContact CB-CE 3.7Å; D75-M337 VanDerWaalsContact CG-CE 3.48Å
76	L	98.2	Very high	94.2	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-1.2	-175.5	-54.6	-173	0	0	0	113.8	I74 H148 M191 M295 V297 P363 F366 L367	I74-L76 HydrophobicContact CG2-CD2 3.8Å; L76-H148 PolarHBondContact O-ND1 2.87Å; L76-M191 HydrophobicContact CB-SD 4.4Å; L76-M295 HydrophobicContact CD1-CE 4.16Å; L76-M295 HydrophobicContact CD1-SD 3.86Å; L76-V297 HydrophobicContact CB-CG1 4.3Å; L76-P363 HydrophobicContact CD1-CB 3.71Å; L76-P363 HydrophobicContact CD2-CB 4.22Å; L76-P363 HydrophobicContact CG-CB 3.82Å; L76-F366 HydrophobicContact CD1-CD1 3.55Å; L76-F366 HydrophobicContact CD1-CE1 4.13Å; L76-L367 HydrophobicContact CD1-CD2 4.47Å; L76-L367 HydrophobicContact CD1-CG 4.33Å; L76-L367 HydrophobicContact CD2-CD1 3.51Å; L76-L367 HydrophobicContact CD2-CD2 4.21Å; L76-L367 HydrophobicContact CD2-CG 3.89Å
77	Q	96.7	Very high	94.1	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.019	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	75.3	-176.6	-159.5	172.6	13.7	0	0	112.1	D75 T115 E150 H240 V297 N299	D75-Q77 PolarHBondContact OD1-N 3.08Å; Q77-T115 VanDerWaalsContact CA-OG1 3.32Å; Q77-T115 WeakPolarHBondContact CA-OG1 3.42Å; Q77-T115 HydrophobicContact CG-CG2 4.3Å; Q77-E150 PolarHBondContact NE2-OE2 3.24Å; Q77-H240 PolarHBondContact NE2-CD2 2.71Å; Q77-H240 VanDerWaalsContact NE2-CD2 3.32Å; Q77-V297 HydrophobicContact CB-CB 3.93Å; Q77-V297 HydrophobicContact CB-CG1 4.18Å; Q77-V297 HydrophobicContact CB-CG2 4.42Å; Q77-N299 HydrophobicContact CG-CB 4.39Å; Q77-N299 PolarHBondContact NE2-OD1 3.27Å; Q77-N299 WeakPolarHBondContact O-CA 3.3Å; Q77-N299 PolarHBondContact O-N 2.76Å
78	V	94.6	Very high	93.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106	176	-177.3	0	0	0	0	109.9	D75 G80 L86 I100 F112 C113 T115	D75-V78 HydrophobicContact CB-CG2 3.79Å; V78-G80 WeakPolarHBondContact CG1-O 3.32Å; V78-L86 WeakPolarHBondContact O-CD1 3.18Å; V78-I100 HydrophobicContact CG1-CG2 3.93Å; V78-F112 HydrophobicContact CB-CD2 3.88Å; V78-F112 HydrophobicContact CG1-CD2 4.25Å; V78-F112 HydrophobicContact CG1-CE2 4.5Å; V78-F112 HydrophobicContact CG2-CB 4.1Å; V78-F112 HydrophobicContact CG2-CD2 3.95Å; V78-F112 HydrophobicContact CG2-CG 4.42Å; V78-C113 PolarHBondContact N-O 2.83Å; V78-T115 PolarHBondContact N-OG1 2.87Å; V78-T115 VanDerWaalsContact N-OG1 3.12Å; V78-T115 WeakPolarHBondContact O-CB 3.32Å; V78-T115 PolarHBondContact O-N 2.93Å
79	K	93.5	Very high	93.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	11%	0.105	C	C	.	.			trans	-88.5	-13.4	-178.9	-63.5	167.4	169.3	172.9	0	113.2	L86 T115 M117 E150 N299 E300 A301	K79-L86 VanDerWaalsContact O-CB 3.29Å; K79-L86 WeakPolarHBondContact O-CB 3.42Å; K79-L86 PolarHBondContact O-N 3.15Å; K79-T115 HydrophobicContact CG-CG2 3.85Å; K79-M117 HydrophobicContact CD-CG 4.05Å; K79-M117 HydrophobicContact CD-SD 3.8Å; K79-M117 HydrophobicContact CG-CG 4.31Å; K79-E150 VanDerWaalsContact CE-OE1 3.29Å; K79-E150 WeakPolarHBondContact CE-OE1 3.31Å; K79-E150 WeakPolarHBondContact CE-OE2 3.18Å; K79-E150 VanDerWaalsContact NZ-CD 3.33Å; K79-E150 IonicContact NZ-OE1 3.21Å; K79-E150 PolarHBondContact NZ-OE1 3.34Å; K79-E150 IonicContact NZ-OE2 2.73Å; K79-E150 PolarHBondContact NZ-OE2 2.91Å; K79-N299 WeakPolarHBondContact CD-OD1 3.06Å; K79-N299 WeakPolarHBondContact CE-OD1 3.28Å; K79-N299 PolarHBondContact NZ-OD1 3.35Å; K79-E300 CarbonylContact C-O 3.54Å; K79-E300 WeakPolarHBondContact CA-O 3.01Å; K79-E300 VanDerWaalsContact CB-O 3.29Å; K79-E300 WeakPolarHBondContact CB-O 3.19Å; K79-E300 PolarHBondContact N-O 2.78Å; K79-A301 HydrophobicContact CB-CB 4.39Å
80	G	89.9	Confident	92.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-171.7	-174.9	0	0	0	0	0	111.6	V78 I84 E300	V78-G80 WeakPolarHBondContact CG1-O 3.32Å; G80-I84 CarbonylContact C-O 3.45Å; G80-I84 WeakPolarHBondContact CA-O 3.23Å; G80-E300 PolarHBondContact N-O 3.08Å; G80-E300 VanDerWaalsContact N-O 3.14Å; G80-E300 VanDerWaalsContact O-CG 3.28Å; G80-E300 WeakPolarHBondContact O-CG 3.25Å
81	S	86.2	Confident	92	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	127.7	166.6	-176.4	0	0	0	0	110.9	D83 I84 R103 E300	S81-D83 PolarHBondContact O-N 2.61Å; S81-I84 PolarHBondContact N-O 3.14Å; S81-I84 WeakPolarHBondContact O-CB 3.26Å; S81-I84 PolarHBondContact O-N 2.84Å; S81-R103 PolarHBondContact O-NH1 2.84Å; S81-E300 WeakPolarHBondContact CA-OE1 3.32Å; S81-E300 WeakPolarHBondContact CB-OE1 3.48Å; S81-E300 PolarHBondContact OG-OE1 2.69Å
82	S	80.8	Confident	91.7	Very high	59 Å²	59	28.8 Å²	28.8	41%	0.413	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-105.3	-180	-52	0	0	0	0	112.6	A302 A303	S82-A302 CarbonylContact O-C 3.33Å; S82-A302 WeakPolarHBondContact O-CA 3.5Å; S82-A303 PolarHBondContact O-N 3.4Å
83	D	84.2	Confident	91.3	Very high	107 Å²	107	29 Å²	29	57%	0.572	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-7.2	179.9	55.7	-50.5	0	0	0	114.3	S81 R103	S81-D83 PolarHBondContact O-N 2.61Å; D83-R103 IonicContact OD1-CZ 3.44Å; D83-R103 VanDerWaalsContact OD1-CZ 3.24Å; D83-R103 IonicContact OD1-NH1 2.7Å; D83-R103 PolarHBondContact OD1-NH1 2.95Å; D83-R103 IonicContact OD1-NH2 2.71Å; D83-R103 PolarHBondContact OD1-NH2 3.07Å; D83-R103 IonicContact OD2-NH2 3.88Å
84	I	89.6	Confident	91	Very high	10 Å²	10	30 Å²	30	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.1	-170.1	-55.9	168.9	0	0	0	111	G80 S81 K96 L99 I100 A302	G80-I84 CarbonylContact C-O 3.45Å; G80-I84 WeakPolarHBondContact CA-O 3.23Å; S81-I84 PolarHBondContact N-O 3.14Å; S81-I84 WeakPolarHBondContact O-CB 3.26Å; S81-I84 PolarHBondContact O-N 2.84Å; I84-K96 HydrophobicContact CG2-CB 3.63Å; I84-K96 HydrophobicContact CG2-CD 3.91Å; I84-K96 HydrophobicContact CG2-CG 3.62Å; I84-L99 HydrophobicContact CD1-CB 3.77Å; I84-L99 HydrophobicContact CD1-CD2 3.46Å; I84-L99 VanDerWaalsContact CD1-CD2 3.46Å; I84-L99 HydrophobicContact CD1-CG 3.52Å; I84-L99 HydrophobicContact CG1-CD2 4.42Å; I84-I100 HydrophobicContact CB-CD1 4.3Å; I84-I100 HydrophobicContact CB-CG1 4.39Å; I84-I100 HydrophobicContact CD1-CG1 4.07Å; I84-I100 HydrophobicContact CG2-CD1 3.75Å; I84-I100 HydrophobicContact CG2-CG1 4.19Å; I84-A302 VanDerWaalsContact C-CB 3.48Å; I84-A302 VanDerWaalsContact O-CB 3.26Å; I84-A302 WeakPolarHBondContact O-CB 3.24Å
85	N	90.6	Very high	90.7	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.5	169.9	-179.6	-3	0	0	0	110.1	S87 S88 K96 A302 Y305	N85-S87 VanDerWaalsContact C-N 3.32Å; N85-S87 PolarHBondContact OD1-N 2.76Å; N85-S88 WeakPolarHBondContact CB-OG 3.47Å; N85-S88 PolarHBondContact O-OG 3.27Å; N85-K96 PolarHBondContact O-NZ 3.26Å; N85-A302 HydrophobicContact CB-CB 3.81Å; N85-Y305 HydrophobicContact CB-CE2 4.12Å; N85-Y305 VanDerWaalsContact ND2-CE2 3.32Å; N85-Y305 WeakPolarHBondContact ND2-CE2 3.15Å; N85-Y305 WeakPolarHBondContact OD1-CE2 3.49Å; N85-Y305 PolarHBondContact OD1-OH 2.71Å
86	L	93.3	Very high	90.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.6	178.5	-69.7	174	0	0	0	113.4	V78 K79 I93 K96 L97 I100 P114 I116 F123	V78-L86 WeakPolarHBondContact O-CD1 3.18Å; K79-L86 VanDerWaalsContact O-CB 3.29Å; K79-L86 WeakPolarHBondContact O-CB 3.42Å; K79-L86 PolarHBondContact O-N 3.15Å; L86-I93 HydrophobicContact CD2-CD1 3.78Å; L86-K96 HydrophobicContact CD2-CB 4.18Å; L86-L97 HydrophobicContact CD1-CD2 4.43Å; L86-L97 HydrophobicContact CD2-CD2 3.82Å; L86-L97 HydrophobicContact CD2-CG 4.26Å; L86-I100 HydrophobicContact CD1-CD1 3.99Å; L86-I100 HydrophobicContact CD2-CD1 3.72Å; L86-I100 HydrophobicContact CG-CD1 3.74Å; L86-P114 HydrophobicContact CD1-CB 3.72Å; L86-I116 HydrophobicContact CB-CD1 3.85Å; L86-F123 WeakPolarHBondContact O-CZ 3.45Å
87	S	93.3	Very high	90.2	Very high	20 Å²	20	35.8 Å²	35.8	14%	0.14	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	15.7	-179.7	-51	0	0	0	0	113.1	N85 M117 Y305	N85-S87 VanDerWaalsContact C-N 3.32Å; N85-S87 PolarHBondContact OD1-N 2.76Å; S87-M117 PolarHBondContact OG-N 3.16Å; S87-Y305 WeakPolarHBondContact CB-OH 3.25Å
88	S	89.4	Confident	90	Very high	27 Å²	27	39 Å²	39	19%	0.189	22%	0.221	C	C	.	.	S	Bend	trans	-112.6	141.2	176.5	67.5	0	0	0	0	111.3	N85 D90 K96	N85-S88 WeakPolarHBondContact CB-OG 3.47Å; N85-S88 PolarHBondContact O-OG 3.27Å; S88-D90 WeakPolarHBondContact CB-OD1 3.49Å; S88-D90 PolarHBondContact O-N 2.99Å; S88-D90 PolarHBondContact OG-OD1 2.88Å; S88-K96 PolarHBondContact O-NZ 3.1Å; S88-K96 VanDerWaalsContact O-NZ 3.11Å; S88-K96 PolarHBondContact OG-NZ 2.94Å
89	D	86.7	Confident	89.9	Confident	108 Å²	108	42.2 Å²	42.2	58%	0.578	24%	0.239	S	C	*	.			trans	-84.6	7.5	-174.9	-159	24.7	0	0	0	113.7	F123 K126	D89-F123 HydrophobicContact CB-CD2 4.1Å; D89-F123 HydrophobicContact CB-CE2 3.96Å; D89-K126 IonicContact OD1-NZ 3.16Å; D89-K126 PolarHBondContact OD1-NZ 2.97Å
90	D	87.5	Confident	89.8	Confident	96 Å²	96	42.1 Å²	42.1	51%	0.513	24%	0.238	S	C	.	.	S	Bend	trans	-74.1	148.1	167	60.9	-81.5	0	0	0	111.1	S88 K96	S88-D90 WeakPolarHBondContact CB-OD1 3.49Å; S88-D90 PolarHBondContact O-N 2.99Å; S88-D90 PolarHBondContact OG-OD1 2.88Å; D90-K96 WeakPolarHBondContact O-CE 3.45Å; D90-K96 PolarHBondContact O-NZ 3.13Å; D90-K96 IonicContact OD1-NZ 3.72Å; D90-K96 PolarHBondContact OD1-NZ 2.82Å; D90-K96 WeakPolarHBondContact OD2-CE 3.37Å; D90-K96 IonicContact OD2-NZ 2.69Å; D90-K96 PolarHBondContact OD2-NZ 3.48Å
91	G	86.2	Confident	90	Very high	62 Å²	62	42.4 Å²	42.4	64%	0.639	24%	0.24	S	C	*	.	S	Bend	trans	65.5	-173.8	174.3	0	0	0	0	0	114.7
92	D	90.5	Very high	90.4	Very high	76 Å²	76	47.7 Å²	47.7	41%	0.406	26%	0.26	S	S	.	.			trans	-98.1	126	-179.4	174.8	-87.5	0	0	0	109.6	I94 E95 K96	D92-I94 PolarHBondContact O-N 3.27Å; D92-I94 WeakPolarHBondContact OD1-CA 3.43Å; D92-I94 WeakPolarHBondContact OD1-CB 3.23Å; D92-I94 PolarHBondContact OD1-N 3.3Å; D92-E95 HydrophobicContact CB-CB 4.33Å; D92-E95 HydrophobicContact CB-CG 4.37Å; D92-E95 PolarHBondContact O-N 3.27Å; D92-E95 PolarHBondContact OD1-N 3.35Å; D92-K96 WeakPolarHBondContact O-CG 3.24Å; D92-K96 PolarHBondContact O-N 2.94Å; D92-K96 VanDerWaalsContact O-N 3.08Å
93	I	91.8	Very high	90.9	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-33.4	-175.2	-174	59	0	0	0	111.9	L86 K96 L97 I127 E130	L86-I93 HydrophobicContact CD2-CD1 3.78Å; I93-K96 WeakPolarHBondContact O-CB 3.49Å; I93-K96 PolarHBondContact O-N 2.73Å; I93-L97 HydrophobicContact CD1-CG 4.46Å; I93-L97 HydrophobicContact CG1-CD1 4.17Å; I93-L97 HydrophobicContact CG1-CG 4.41Å; I93-L97 WeakPolarHBondContact O-CB 3.23Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.5Å; I93-L97 PolarHBondContact O-N 2.98Å; I93-I127 HydrophobicContact CB-CG1 4.47Å; I93-I127 HydrophobicContact CD1-CD1 3.95Å; I93-I127 HydrophobicContact CD1-CG1 4.35Å; I93-I127 HydrophobicContact CG1-CD1 4.18Å; I93-I127 HydrophobicContact CG1-CG1 4.04Å; I93-I127 HydrophobicContact CG1-CG2 4.12Å; I93-E130 HydrophobicContact CG2-CB 3.88Å; I93-E130 VanDerWaalsContact CG2-OE2 3.24Å; I93-E130 WeakPolarHBondContact CG2-OE2 3.41Å
94	I	91.6	Very high	91.4	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-46.3	-177.6	-81.3	-45.6	0	0	0	110.5	D92 K96 L97 R98 Y131 Y134	D92-I94 PolarHBondContact O-N 3.27Å; D92-I94 WeakPolarHBondContact OD1-CA 3.43Å; D92-I94 WeakPolarHBondContact OD1-CB 3.23Å; D92-I94 PolarHBondContact OD1-N 3.3Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 2.93Å; I94-L97 HydrophobicContact CD1-CD1 4.43Å; I94-L97 PolarHBondContact O-N 3.3Å; I94-R98 PolarHBondContact O-N 3.26Å; I94-Y131 HydrophobicContact CD1-CD2 4.22Å; I94-Y134 HydrophobicContact CB-CD2 4.28Å; I94-Y134 HydrophobicContact CB-CE2 4.06Å; I94-Y134 HydrophobicContact CD1-CD2 3.45Å; I94-Y134 VanDerWaalsContact CD1-CD2 3.45Å; I94-Y134 HydrophobicContact CD1-CE2 4.12Å; I94-Y134 HydrophobicContact CD1-CG 3.9Å; I94-Y134 HydrophobicContact CG1-CD2 3.98Å; I94-Y134 HydrophobicContact CG1-CE2 4.24Å; I94-Y134 HydrophobicContact CG2-CD2 3.58Å; I94-Y134 HydrophobicContact CG2-CE2 2.94Å; I94-Y134 VanDerWaalsContact CG2-CZ 3.44Å; I94-Y134 WeakPolarHBondContact CG2-OH 3.46Å
95	E	91.4	Very high	91.6	Very high	109 Å²	109	42.2 Å²	42.2	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-38.9	174.4	-72.8	-60.6	127.2	0	0	111.8	D92 R98 L99	D92-E95 HydrophobicContact CB-CB 4.33Å; D92-E95 HydrophobicContact CB-CG 4.37Å; D92-E95 PolarHBondContact O-N 3.27Å; D92-E95 PolarHBondContact OD1-N 3.35Å; E95-R98 PolarHBondContact O-N 2.94Å; E95-L99 WeakPolarHBondContact O-CB 3.21Å; E95-L99 PolarHBondContact O-N 2.96Å
96	K	92.8	Very high	91.6	Very high	17 Å²	17	44.1 Å²	44.1	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-49.3	173.4	-72.7	-176.6	170.2	-175.7	0	111.5	I84 N85 L86 S88 D90 D92 I93 I94 L99 I100	I84-K96 HydrophobicContact CG2-CB 3.63Å; I84-K96 HydrophobicContact CG2-CD 3.91Å; I84-K96 HydrophobicContact CG2-CG 3.62Å; N85-K96 PolarHBondContact O-NZ 3.26Å; L86-K96 HydrophobicContact CD2-CB 4.18Å; S88-K96 PolarHBondContact O-NZ 3.1Å; S88-K96 VanDerWaalsContact O-NZ 3.11Å; S88-K96 PolarHBondContact OG-NZ 2.94Å; D90-K96 WeakPolarHBondContact O-CE 3.45Å; D90-K96 PolarHBondContact O-NZ 3.13Å; D90-K96 IonicContact OD1-NZ 3.72Å; D90-K96 PolarHBondContact OD1-NZ 2.82Å; D90-K96 WeakPolarHBondContact OD2-CE 3.37Å; D90-K96 IonicContact OD2-NZ 2.69Å; D90-K96 PolarHBondContact OD2-NZ 3.48Å; D92-K96 WeakPolarHBondContact O-CG 3.24Å; D92-K96 PolarHBondContact O-N 2.94Å; D92-K96 VanDerWaalsContact O-N 3.08Å; I93-K96 WeakPolarHBondContact O-CB 3.49Å; I93-K96 PolarHBondContact O-N 2.73Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 2.93Å; K96-L99 PolarHBondContact O-N 2.97Å; K96-I100 WeakPolarHBondContact O-CG1 3.47Å; K96-I100 PolarHBondContact O-N 3.19Å
97	L	93.8	Very high	91.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-47.6	177.9	-73.6	171.8	0	0	0	111.2	L86 I93 I94 L99 I100 S101 P114 Y131 I144 F147	L86-L97 HydrophobicContact CD1-CD2 4.43Å; L86-L97 HydrophobicContact CD2-CD2 3.82Å; L86-L97 HydrophobicContact CD2-CG 4.26Å; I93-L97 HydrophobicContact CD1-CG 4.46Å; I93-L97 HydrophobicContact CG1-CD1 4.17Å; I93-L97 HydrophobicContact CG1-CG 4.41Å; I93-L97 WeakPolarHBondContact O-CB 3.23Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.5Å; I93-L97 PolarHBondContact O-N 2.98Å; I94-L97 HydrophobicContact CD1-CD1 4.43Å; I94-L97 PolarHBondContact O-N 3.3Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.32Å; L97-I100 PolarHBondContact O-N 2.97Å; L97-S101 WeakPolarHBondContact O-CB 3.3Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 3.09Å; L97-S101 VanDerWaalsContact O-OG 3.04Å; L97-P114 HydrophobicContact CD2-CB 3.43Å; L97-P114 VanDerWaalsContact CD2-CB 3.43Å; L97-P114 HydrophobicContact CD2-CG 3.81Å; L97-Y131 HydrophobicContact CD1-CD2 3.66Å; L97-Y131 HydrophobicContact CD1-CE2 4.01Å; L97-I144 HydrophobicContact CB-CD1 3.97Å; L97-I144 HydrophobicContact CD1-CD1 4.22Å; L97-I144 HydrophobicContact CD2-CD1 4.06Å; L97-I144 HydrophobicContact CG-CD1 4.31Å; L97-F147 HydrophobicContact CD1-CE1 4.48Å; L97-F147 HydrophobicContact CD1-CZ 4.17Å
98	R	92	Very high	91.8	Very high	70 Å²	70	45 Å²	45	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-44.1	179.3	-166.1	-174.8	-167.3	148	6	112.5	I94 E95 S101 R102 Y134 D138	I94-R98 PolarHBondContact O-N 3.26Å; E95-R98 PolarHBondContact O-N 2.94Å; R98-S101 PolarHBondContact O-N 3.14Å; R98-R102 VanDerWaalsContact NE-NH2 3.12Å; R98-R102 WeakPolarHBondContact O-CG 3.38Å; R98-R102 PolarHBondContact O-N 3.38Å; R98-R102 VanDerWaalsContact O-N 3.16Å; R98-Y134 HydrophobicContact CB-CE1 4.31Å; R98-Y134 WeakPolarHBondContact CD-OH 3.3Å; R98-Y134 HydrophobicContact CG-CE1 4.45Å; R98-D138 IonicContact CZ-OD2 3.86Å; R98-D138 VanDerWaalsContact CZ-OD2 3.31Å; R98-D138 IonicContact NE-OD2 2.84Å; R98-D138 PolarHBondContact NE-OD2 3.42Å; R98-D138 IonicContact NH2-OD2 2.82Å; R98-D138 PolarHBondContact NH2-OD2 2.97Å
99	L	92.1	Very high	92.1	Very high	69 Å²	69	43.7 Å²	43.7	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-68.9	-39.8	-179.4	-175.5	51.7	0	0	0	111.7	I84 E95 K96 L97 R103	I84-L99 HydrophobicContact CD1-CB 3.77Å; I84-L99 HydrophobicContact CD1-CD2 3.46Å; I84-L99 VanDerWaalsContact CD1-CD2 3.46Å; I84-L99 HydrophobicContact CD1-CG 3.52Å; I84-L99 HydrophobicContact CG1-CD2 4.42Å; E95-L99 WeakPolarHBondContact O-CB 3.21Å; E95-L99 PolarHBondContact O-N 2.96Å; K96-L99 PolarHBondContact O-N 2.97Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.32Å; L99-R103 HydrophobicContact CD1-CG 4.42Å; L99-R103 WeakPolarHBondContact O-CB 3.45Å; L99-R103 VanDerWaalsContact O-CG 3.24Å; L99-R103 WeakPolarHBondContact O-CG 3.45Å; L99-R103 PolarHBondContact O-N 3.24Å; L99-R103 VanDerWaalsContact O-N 3.07Å
100	I	92.7	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-50	172.4	-70	169	0	0	0	110.5	V78 I84 L86 K96 L97 R102 R103 L104 F112	V78-I100 HydrophobicContact CG1-CG2 3.93Å; I84-I100 HydrophobicContact CB-CD1 4.3Å; I84-I100 HydrophobicContact CB-CG1 4.39Å; I84-I100 HydrophobicContact CD1-CG1 4.07Å; I84-I100 HydrophobicContact CG2-CD1 3.75Å; I84-I100 HydrophobicContact CG2-CG1 4.19Å; L86-I100 HydrophobicContact CD1-CD1 3.99Å; L86-I100 HydrophobicContact CD2-CD1 3.72Å; L86-I100 HydrophobicContact CG-CD1 3.74Å; K96-I100 WeakPolarHBondContact O-CG1 3.47Å; K96-I100 PolarHBondContact O-N 3.19Å; L97-I100 PolarHBondContact O-N 2.97Å; I100-R102 PolarHBondContact O-N 3.49Å; I100-R103 PolarHBondContact O-N 3.17Å; I100-L104 HydrophobicContact CG2-CD1 3.83Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 3.49Å; I100-F112 HydrophobicContact CG2-CE2 3.88Å; I100-F112 HydrophobicContact CG2-CZ 4.03Å
101	S	94.3	Very high	93.1	Very high	6 Å²	6	34 Å²	34	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-53.9	-40.5	-179.7	-65.5	0	0	0	0	112.7	L97 R98 F112 A142	L97-S101 WeakPolarHBondContact O-CB 3.3Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 3.09Å; L97-S101 VanDerWaalsContact O-OG 3.04Å; R98-S101 PolarHBondContact O-N 3.14Å; S101-F112 WeakPolarHBondContact OG-CE1 3.46Å; S101-F112 WeakPolarHBondContact OG-CZ 3.43Å; S101-A142 WeakPolarHBondContact CB-O 3.48Å; S101-A142 WeakPolarHBondContact O-CB 3.34Å; S101-A142 PolarHBondContact O-N 3.2Å; S101-A142 PolarHBondContact OG-O 3.3Å; S101-A142 VanDerWaalsContact OG-O 3.13Å
102	R	93.6	Very high	93.6	Very high	113 Å²	113	31.1 Å²	31.1	43%	0.426	14%	0.139	S	C	.	.	H	α-helix	trans	-71.1	-40.9	175.6	-70.8	173.2	175.8	176.8	-7.2	112.7	R98 I100 L104 L105 D138 N140 A141	R98-R102 VanDerWaalsContact NE-NH2 3.12Å; R98-R102 WeakPolarHBondContact O-CG 3.38Å; R98-R102 PolarHBondContact O-N 3.38Å; R98-R102 VanDerWaalsContact O-N 3.16Å; I100-R102 PolarHBondContact O-N 3.49Å; R102-L104 VanDerWaalsContact C-N 3.29Å; R102-L104 PolarHBondContact O-N 3.45Å; R102-L105 PolarHBondContact O-N 3.13Å; R102-D138 IonicContact CZ-OD2 3.46Å; R102-D138 IonicContact NE-OD2 2.96Å; R102-D138 PolarHBondContact NE-OD2 3.17Å; R102-D138 IonicContact NH2-OD1 3.37Å; R102-D138 IonicContact NH2-OD2 3.24Å; R102-D138 PolarHBondContact NH2-OD2 3.32Å; R102-N140 WeakPolarHBondContact CG-O 3.41Å; R102-A141 HydrophobicContact CG-CB 4.07Å
103	R	92	Very high	93.9	Very high	54 Å²	54	27.5 Å²	27.5	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-31.2	-179.5	-77.1	172.6	177.2	-176.9	-0.4	112.5	S81 D83 L99 I100 L105 K106	S81-R103 PolarHBondContact O-NH1 2.84Å; D83-R103 IonicContact OD1-CZ 3.44Å; D83-R103 VanDerWaalsContact OD1-CZ 3.24Å; D83-R103 IonicContact OD1-NH1 2.7Å; D83-R103 PolarHBondContact OD1-NH1 2.95Å; D83-R103 IonicContact OD1-NH2 2.71Å; D83-R103 PolarHBondContact OD1-NH2 3.07Å; D83-R103 IonicContact OD2-NH2 3.88Å; L99-R103 HydrophobicContact CD1-CG 4.42Å; L99-R103 WeakPolarHBondContact O-CB 3.45Å; L99-R103 VanDerWaalsContact O-CG 3.24Å; L99-R103 WeakPolarHBondContact O-CG 3.45Å; L99-R103 PolarHBondContact O-N 3.24Å; L99-R103 VanDerWaalsContact O-N 3.07Å; I100-R103 PolarHBondContact O-N 3.17Å; R103-L105 VanDerWaalsContact C-N 3.29Å; R103-L105 PolarHBondContact O-N 3.21Å; R103-K106 WeakPolarHBondContact O-CE 3.34Å; R103-K106 WeakPolarHBondContact O-CG 3.2Å
104	L	93.5	Very high	94.1	Very high	2 Å²	2	27 Å²	27	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-27.5	180	-77.5	176.6	0	0	0	113.5	I100 R102 K106 Y107 G108 V109 F112 A142	I100-L104 HydrophobicContact CG2-CD1 3.83Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 3.49Å; R102-L104 VanDerWaalsContact C-N 3.29Å; R102-L104 PolarHBondContact O-N 3.45Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.07Å; L104-Y107 CarbonylContact O-C 3.57Å; L104-Y107 WeakPolarHBondContact O-CA 3.44Å; L104-Y107 PolarHBondContact O-N 3.5Å; L104-G108 PolarHBondContact O-N 3.42Å; L104-V109 CarbonylContact C-O 3.56Å; L104-V109 HydrophobicContact CB-CB 4.02Å; L104-V109 HydrophobicContact CB-CG1 4.23Å; L104-V109 HydrophobicContact CD1-CG1 4.12Å; L104-V109 HydrophobicContact CD2-CB 4.3Å; L104-V109 HydrophobicContact CD2-CG1 4.35Å; L104-V109 HydrophobicContact CG-CG1 4.47Å; L104-V109 PolarHBondContact O-N 3.4Å; L104-F112 HydrophobicContact CD1-CB 4Å; L104-F112 HydrophobicContact CD1-CD1 3.53Å; L104-F112 HydrophobicContact CD1-CD2 3.79Å; L104-F112 HydrophobicContact CD1-CE1 3.87Å; L104-F112 HydrophobicContact CD1-CE2 4.1Å; L104-F112 HydrophobicContact CD1-CG 3.49Å; L104-F112 VanDerWaalsContact CD1-CG 3.49Å; L104-F112 HydrophobicContact CD1-CZ 4.13Å; L104-A142 HydrophobicContact CB-CB 4.2Å; L104-A142 HydrophobicContact CD1-CB 4.42Å
105	L	94.1	Very high	94.3	Very high	5 Å²	5	26 Å²	26	3%	0.026	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.6	-175.8	-63.8	-173.6	0	0	0	114	R102 R103 Y107 G108 T110 N140 A142 T396 I398 V403	R102-L105 PolarHBondContact O-N 3.13Å; R103-L105 VanDerWaalsContact C-N 3.29Å; R103-L105 PolarHBondContact O-N 3.21Å; L105-Y107 PolarHBondContact O-N 3.13Å; L105-G108 PolarHBondContact O-N 2.96Å; L105-G108 VanDerWaalsContact O-N 3.12Å; L105-T110 HydrophobicContact CD2-CG2 4.38Å; L105-N140 VanDerWaalsContact CD1-C 3.47Å; L105-N140 WeakPolarHBondContact CD1-O 3.37Å; L105-A142 HydrophobicContact CD2-CB 4.18Å; L105-T396 PolarHBondContact O-OG1 2.77Å; L105-I398 HydrophobicContact CD2-CD1 3.64Å; L105-V403 HydrophobicContact CD1-CB 4Å; L105-V403 HydrophobicContact CD1-CG2 3.86Å; L105-V403 HydrophobicContact CD2-CG2 4.25Å; L105-V403 HydrophobicContact CG-CG2 4.5Å
106	K	91.2	Very high	94.5	Very high	60 Å²	60	20.8 Å²	20.8	26%	0.261	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.4	174.8	71.8	-170.3	157	153.5	0	110.1	R103 L104 G108 Y404 Y406	R103-K106 WeakPolarHBondContact O-CE 3.34Å; R103-K106 WeakPolarHBondContact O-CG 3.2Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.07Å; K106-G108 PolarHBondContact O-N 2.92Å; K106-G108 VanDerWaalsContact O-N 3.09Å; K106-Y404 HydrophobicContact CB-CD1 4.03Å; K106-Y404 HydrophobicContact CB-CD2 4.09Å; K106-Y404 HydrophobicContact CB-CE1 3.53Å; K106-Y404 HydrophobicContact CB-CE2 3.62Å; K106-Y404 HydrophobicContact CB-CG 4.28Å; K106-Y406 VanDerWaalsContact C-OH 3.27Å; K106-Y406 WeakPolarHBondContact O-CE2 3.18Å; K106-Y406 VanDerWaalsContact O-CZ 3.27Å; K106-Y406 PolarHBondContact O-OH 2.62Å
107	Y	93.5	Very high	94.6	Very high	37 Å²	37	20.3 Å²	20.3	15%	0.145	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	9.7	179.2	-52.2	-51.9	0	0	0	114.4	F73 L104 L105 V109 F334 P336 I393	F73-Y107 WeakPolarHBondContact CD2-O 3.41Å; L104-Y107 CarbonylContact O-C 3.57Å; L104-Y107 WeakPolarHBondContact O-CA 3.44Å; L104-Y107 PolarHBondContact O-N 3.5Å; L105-Y107 PolarHBondContact O-N 3.13Å; Y107-V109 VanDerWaalsContact C-N 3.26Å; Y107-V109 PolarHBondContact O-N 3.4Å; Y107-F334 AromaticContact CD2-CE1 4Å; Y107-F334 HydrophobicContact CD2-CE1 4Å; Y107-F334 AromaticContact CD2-CZ 3.68Å; Y107-F334 HydrophobicContact CD2-CZ 3.68Å; Y107-F334 HydrophobicContact CE1-CE1 4.01Å; Y107-F334 AromaticContact CE2-CE1 3.43Å; Y107-F334 HydrophobicContact CE2-CE1 3.43Å; Y107-F334 VanDerWaalsContact CE2-CE1 3.43Å; Y107-F334 AromaticContact CE2-CZ 3.56Å; Y107-F334 HydrophobicContact CE2-CZ 3.56Å; Y107-F334 HydrophobicContact CG-CE1 4.49Å; Y107-F334 HydrophobicContact CG-CZ 4.22Å; Y107-F334 AromaticContact CZ-CE1 3.43Å; Y107-F334 VanDerWaalsContact CZ-CE1 3.43Å; Y107-P336 HydrophobicContact CD1-CB 3.49Å; Y107-P336 VanDerWaalsContact CD1-CB 3.49Å; Y107-P336 HydrophobicContact CD1-CG 3.7Å; Y107-P336 HydrophobicContact CE1-CB 4.02Å; Y107-P336 HydrophobicContact CE1-CG 3.67Å; Y107-P336 HydrophobicContact CG-CB 3.9Å; Y107-P336 HydrophobicContact CG-CG 4.43Å; Y107-I393 VanDerWaalsContact C-CD1 3.41Å
108	G	96.1	Very high	94.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	8.8	177.5	0	0	0	0	0	114.4	F73 L104 L105 K106	F73-G108 WeakPolarHBondContact CB-O 3.32Å; F73-G108 WeakPolarHBondContact CD2-O 3.33Å; F73-G108 PolarHBondContact N-O 2.88Å; L104-G108 PolarHBondContact O-N 3.42Å; L105-G108 PolarHBondContact O-N 2.96Å; L105-G108 VanDerWaalsContact O-N 3.12Å; K106-G108 PolarHBondContact O-N 2.92Å; K106-G108 VanDerWaalsContact O-N 3.09Å
109	V	97	Very high	94.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.9	179.2	177.4	0	0	0	0	108.6	F73 D75 L104 Y107 S111 F112 A142 M337	F73-V109 HydrophobicContact CB-CB 4.49Å; F73-V109 HydrophobicContact CB-CG2 3.92Å; F73-V109 HydrophobicContact CD2-CG2 4.48Å; F73-V109 WeakPolarHBondContact O-CA 3.41Å; D75-V109 HydrophobicContact CB-CG1 3.98Å; D75-V109 HydrophobicContact CB-CG2 4.44Å; L104-V109 CarbonylContact C-O 3.56Å; L104-V109 HydrophobicContact CB-CB 4.02Å; L104-V109 HydrophobicContact CB-CG1 4.23Å; L104-V109 HydrophobicContact CD1-CG1 4.12Å; L104-V109 HydrophobicContact CD2-CB 4.3Å; L104-V109 HydrophobicContact CD2-CG1 4.35Å; L104-V109 HydrophobicContact CG-CG1 4.47Å; L104-V109 PolarHBondContact O-N 3.4Å; Y107-V109 VanDerWaalsContact C-N 3.26Å; Y107-V109 PolarHBondContact O-N 3.4Å; V109-S111 VanDerWaalsContact CG1-O 3.28Å; V109-S111 WeakPolarHBondContact CG1-O 3.28Å; V109-F112 HydrophobicContact CG1-CB 4.22Å; V109-A142 WeakPolarHBondContact O-CB 3.28Å; V109-M337 HydrophobicContact CG2-CB 3.7Å; V109-M337 HydrophobicContact CG2-CG 4.18Å
110	T	97	Very high	95	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-5.1	177.8	70.5	0	0	0	0	112.7	S72 F73 L105 A142 A143 D383 T396 I398	S72-T110 VanDerWaalsContact CB-CG2 3.49Å; S72-T110 WeakPolarHBondContact CB-OG1 3.34Å; S72-T110 PolarHBondContact OG-OG1 2.89Å; F73-T110 PolarHBondContact O-N 2.92Å; F73-T110 VanDerWaalsContact O-N 3.09Å; L105-T110 HydrophobicContact CD2-CG2 4.38Å; T110-A142 CarbonylContact O-C 3.57Å; T110-A142 VanDerWaalsContact O-CA 3.28Å; T110-A142 WeakPolarHBondContact O-CA 3.22Å; T110-A143 PolarHBondContact O-N 3.46Å; T110-D383 PolarHBondContact OG1-OD2 2.86Å; T110-T396 HydrophobicContact CG2-CG2 3.61Å; T110-I398 HydrophobicContact CG2-CD1 4.03Å; T110-I398 HydrophobicContact CG2-CG1 3.61Å
111	S	97	Very high	95.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.4	172.4	-62.2	0	0	0	0	110.8	F73 I74 D75 V109 A143 K373	F73-S111 PolarHBondContact O-N 2.88Å; I74-S111 VanDerWaalsContact CA-O 3.25Å; I74-S111 WeakPolarHBondContact CA-O 3.45Å; D75-S111 PolarHBondContact N-O 2.61Å; V109-S111 VanDerWaalsContact CG1-O 3.28Å; V109-S111 WeakPolarHBondContact CG1-O 3.28Å; S111-A143 CarbonylContact C-O 3.35Å; S111-A143 WeakPolarHBondContact CA-O 3.3Å; S111-K373 WeakPolarHBondContact OG-CD 3.44Å; S111-K373 VanDerWaalsContact OG-CE 3.28Å; S111-K373 WeakPolarHBondContact OG-CE 3.02Å
112	F	96.9	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.4	-178.8	73.8	-69.5	0	0	0	113.7	D75 V78 I100 S101 L104 V109 P114 A142 A143 I144 L145	D75-F112 HydrophobicContact CB-CB 4.26Å; D75-F112 CarbonylContact O-C 3.56Å; D75-F112 WeakPolarHBondContact O-CA 3.4Å; D75-F112 VanDerWaalsContact O-CB 3.22Å; D75-F112 WeakPolarHBondContact O-CB 3.41Å; V78-F112 HydrophobicContact CB-CD2 3.88Å; V78-F112 HydrophobicContact CG1-CD2 4.25Å; V78-F112 HydrophobicContact CG1-CE2 4.5Å; V78-F112 HydrophobicContact CG2-CB 4.1Å; V78-F112 HydrophobicContact CG2-CD2 3.95Å; V78-F112 HydrophobicContact CG2-CG 4.42Å; I100-F112 HydrophobicContact CG2-CE2 3.88Å; I100-F112 HydrophobicContact CG2-CZ 4.03Å; S101-F112 WeakPolarHBondContact OG-CE1 3.46Å; S101-F112 WeakPolarHBondContact OG-CZ 3.43Å; L104-F112 HydrophobicContact CD1-CB 4Å; L104-F112 HydrophobicContact CD1-CD1 3.53Å; L104-F112 HydrophobicContact CD1-CD2 3.79Å; L104-F112 HydrophobicContact CD1-CE1 3.87Å; L104-F112 HydrophobicContact CD1-CE2 4.1Å; L104-F112 HydrophobicContact CD1-CG 3.49Å; L104-F112 VanDerWaalsContact CD1-CG 3.49Å; L104-F112 HydrophobicContact CD1-CZ 4.13Å; V109-F112 HydrophobicContact CG1-CB 4.22Å; F112-P114 HydrophobicContact CE2-CB 4.05Å; F112-P114 HydrophobicContact CE2-CG 4.42Å; F112-A142 HydrophobicContact CD1-CB 3.86Å; F112-A142 HydrophobicContact CE1-CB 4.07Å; F112-A143 PolarHBondContact N-O 3.12Å; F112-I144 HydrophobicContact CD1-CG1 4.38Å; F112-I144 HydrophobicContact CE1-CD1 4.47Å; F112-I144 HydrophobicContact CE1-CG1 3.55Å; F112-I144 HydrophobicContact CE2-CG1 4.43Å; F112-I144 HydrophobicContact CZ-CD1 4.16Å; F112-I144 HydrophobicContact CZ-CG1 3.59Å; F112-L145 PolarHBondContact O-N 3.28Å
113	C	97	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.6	168.3	-72.4	0	0	0	0	110.2	D75 V78 T115 G146 H148	D75-C113 PolarHBondContact O-N 3.42Å; V78-C113 PolarHBondContact N-O 2.83Å; C113-T115 PolarHBondContact O-N 3.29Å; C113-T115 PolarHBondContact O-OG1 2.63Å; C113-G146 WeakPolarHBondContact CA-O 3.42Å; C113-G146 WeakPolarHBondContact CB-O 3.38Å; C113-G146 PolarHBondContact SG-O 3.29Å; C113-H148 HydrophobicContact CB-CB 4.03Å
114	P	95.9	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	128.8	169.2	23.6	-31.7	0	0	0	109.4	L86 L97 F112 I144 F147 H148	L86-P114 HydrophobicContact CD1-CB 3.72Å; L97-P114 HydrophobicContact CD2-CB 3.43Å; L97-P114 VanDerWaalsContact CD2-CB 3.43Å; L97-P114 HydrophobicContact CD2-CG 3.81Å; F112-P114 HydrophobicContact CE2-CB 4.05Å; F112-P114 HydrophobicContact CE2-CG 4.42Å; P114-I144 HydrophobicContact CG-CG2 3.71Å; P114-F147 HydrophobicContact CB-CD1 3.94Å; P114-F147 HydrophobicContact CB-CE1 3.97Å; P114-F147 HydrophobicContact CG-CD1 3.58Å; P114-F147 HydrophobicContact CG-CE1 3.69Å; P114-F147 HydrophobicContact CG-CG 4.26Å; P114-F147 HydrophobicContact CG-CZ 4.47Å; P114-F147 WeakPolarHBondContact O-CA 3.11Å; P114-H148 PolarHBondContact O-N 3.37Å
115	T	96.6	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.9	-170.9	-56.9	0	0	0	0	110.2	Q77 V78 K79 C113 H148 E150	Q77-T115 VanDerWaalsContact CA-OG1 3.32Å; Q77-T115 WeakPolarHBondContact CA-OG1 3.42Å; Q77-T115 HydrophobicContact CG-CG2 4.3Å; V78-T115 PolarHBondContact N-OG1 2.87Å; V78-T115 VanDerWaalsContact N-OG1 3.12Å; V78-T115 WeakPolarHBondContact O-CB 3.32Å; V78-T115 PolarHBondContact O-N 2.93Å; K79-T115 HydrophobicContact CG-CG2 3.85Å; C113-T115 PolarHBondContact O-N 3.29Å; C113-T115 PolarHBondContact O-OG1 2.63Å; T115-H148 CarbonylContact C-O 3.53Å; T115-H148 VanDerWaalsContact CA-O 3.24Å; T115-H148 WeakPolarHBondContact CA-O 3.22Å; T115-H148 HydrophobicContact CG2-CB 4.26Å; T115-H148 PolarHBondContact OG1-ND1 3.44Å; T115-E150 HydrophobicContact CG2-CB 3.73Å; T115-E150 WeakPolarHBondContact CG2-OE2 3Å
116	I	95.8	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.3	176.5	-48.4	-55.9	0	0	0	108.3	L86 F123 Y124 I127 F147 H148 M149 E150	L86-I116 HydrophobicContact CB-CD1 3.85Å; I116-F123 HydrophobicContact CG2-CD1 4.27Å; I116-F123 HydrophobicContact CG2-CE1 3.85Å; I116-Y124 HydrophobicContact CB-CD1 4.42Å; I116-Y124 HydrophobicContact CB-CE1 3.94Å; I116-Y124 HydrophobicContact CG2-CD1 3.86Å; I116-Y124 HydrophobicContact CG2-CE1 3.44Å; I116-Y124 VanDerWaalsContact CG2-CE1 3.44Å; I116-I127 HydrophobicContact CD1-CD1 3.82Å; I116-I127 HydrophobicContact CG1-CD1 4.3Å; I116-I127 HydrophobicContact CG2-CD1 4.4Å; I116-F147 HydrophobicContact CD1-CD1 4.21Å; I116-F147 HydrophobicContact CD1-CE1 4.16Å; I116-F147 HydrophobicContact CG1-CD1 3.86Å; I116-F147 HydrophobicContact CG1-CE1 4.23Å; I116-H148 PolarHBondContact N-O 2.84Å; I116-M149 HydrophobicContact CB-SD 3.86Å; I116-M149 HydrophobicContact CG1-SD 4.07Å; I116-E150 PolarHBondContact O-N 2.89Å
117	M	94.8	Very high	95.5	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.034	11%	0.11	C	C	.	.			trans	-73.9	172.9	175.5	-70	-173.3	65.5	0	0	111.7	K79 S87 S119 Y124 E150 C161 H162 Y305	K79-M117 HydrophobicContact CD-CG 4.05Å; K79-M117 HydrophobicContact CD-SD 3.8Å; K79-M117 HydrophobicContact CG-CG 4.31Å; S87-M117 PolarHBondContact OG-N 3.16Å; M117-S119 PolarHBondContact O-N 3.46Å; M117-S119 PolarHBondContact O-OG 2.88Å; M117-Y124 PolarHBondContact O-OH 2.94Å; M117-E150 CarbonylContact C-O 3.52Å; M117-E150 WeakPolarHBondContact CA-O 3.3Å; M117-C161 HydrophobicContact CE-CB 4.24Å; M117-C161 WeakPolarHBondContact CE-SG 3.33Å; M117-H162 WeakPolarHBondContact CE-NE2 3.48Å; M117-Y305 HydrophobicContact CE-CE1 4.34Å; M117-Y305 HydrophobicContact SD-CE1 3.47Å; M117-Y305 WeakPolarHBondContact SD-CE1 3.27Å; M117-Y305 PolarHBondContact SD-OH 3.12Å; M117-Y305 VanDerWaalsContact SD-OH 3.35Å
118	S	95.5	Very high	95.4	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.035	11%	0.106	C	C	.	.	S	Bend	trans	-51	110.3	178	-58.3	0	0	0	0	111.3	Y124 E150 P152 H162 N166	S118-Y124 VanDerWaalsContact CA-OH 3.24Å; S118-Y124 WeakPolarHBondContact CA-OH 3.21Å; S118-E150 PolarHBondContact N-O 2.83Å; S118-P152 WeakPolarHBondContact OG-CA 3.38Å; S118-H162 WeakPolarHBondContact CB-ND1 3.35Å; S118-H162 PolarHBondContact N-CE1 2.86Å; S118-H162 PolarHBondContact N-ND1 3.04Å; S118-H162 PolarHBondContact OG-ND1 3.22Å; S118-N166 VanDerWaalsContact O-CB 3.24Å; S118-N166 WeakPolarHBondContact O-CB 3.28Å; S118-N166 PolarHBondContact O-ND2 3.48Å
119	S	95.3	Very high	95.2	Very high	11 Å²	11	26.6 Å²	26.6	8%	0.077	14%	0.141	C	C	.	.			trans	-132.9	173.8	-179.4	-79.1	0	0	0	0	111.3	M117 Y124	M117-S119 PolarHBondContact O-N 3.46Å; M117-S119 PolarHBondContact O-OG 2.88Å; S119-Y124 PolarHBondContact N-OH 2.98Å; S119-Y124 WeakPolarHBondContact O-CE2 3.34Å
120	S	95.1	Very high	94.7	Very high	41 Å²	41	30.6 Å²	30.6	29%	0.287	16%	0.16	S	C	.	.			trans	-66	152.2	177.4	67	0	0	0	0	111.5	S122 F123 Y124	S120-S122 PolarHBondContact O-N 3.25Å; S120-S122 PolarHBondContact OG-OG 2.92Å; S120-F123 WeakPolarHBondContact O-CB 3.43Å; S120-F123 PolarHBondContact O-N 2.99Å; S120-F123 WeakPolarHBondContact OG-CB 3.4Å; S120-F123 PolarHBondContact OG-N 2.9Å; S120-Y124 WeakPolarHBondContact O-CD2 3.35Å; S120-Y124 PolarHBondContact O-N 2.93Å
121	P	95.6	Very high	94.2	Very high	56 Å²	56	31.6 Å²	31.6	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-52.8	-39.3	172.5	-29.9	36.8	0	0	0	113.4	F123 Y124 Q125 V181	P121-F123 VanDerWaalsContact C-N 3.28Å; P121-F123 PolarHBondContact O-N 3.3Å; P121-Y124 PolarHBondContact O-N 2.63Å; P121-Q125 WeakPolarHBondContact O-CB 3.19Å; P121-Q125 VanDerWaalsContact O-CG 3.25Å; P121-Q125 WeakPolarHBondContact O-CG 3.41Å; P121-Q125 PolarHBondContact O-N 3.1Å; P121-V181 WeakPolarHBondContact CA-O 3.28Å; P121-V181 HydrophobicContact CG-CG2 4.43Å
122	S	95.2	Very high	92.7	Very high	84 Å²	84	37 Å²	37	59%	0.587	19%	0.193	S	C	*	.	H	α-helix	trans	-61.1	-36.3	177.3	56.1	0	0	0	0	112.8	S120 K126	S120-S122 PolarHBondContact O-N 3.25Å; S120-S122 PolarHBondContact OG-OG 2.92Å; S122-K126 VanDerWaalsContact O-CB 3.28Å; S122-K126 WeakPolarHBondContact O-CB 3.19Å; S122-K126 PolarHBondContact O-N 3.28Å
123	F	95.3	Very high	90.8	Very high	15 Å²	15	45.7 Å²	45.7	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-72.3	-46.8	179.8	-178.1	-100	0	0	0	111.6	L86 D89 I116 S120 P121 Q125 K126 I127	L86-F123 WeakPolarHBondContact O-CZ 3.45Å; D89-F123 HydrophobicContact CB-CD2 4.1Å; D89-F123 HydrophobicContact CB-CE2 3.96Å; I116-F123 HydrophobicContact CG2-CD1 4.27Å; I116-F123 HydrophobicContact CG2-CE1 3.85Å; S120-F123 WeakPolarHBondContact O-CB 3.43Å; S120-F123 PolarHBondContact O-N 2.99Å; S120-F123 WeakPolarHBondContact OG-CB 3.4Å; S120-F123 PolarHBondContact OG-N 2.9Å; P121-F123 VanDerWaalsContact C-N 3.28Å; P121-F123 PolarHBondContact O-N 3.3Å; F123-Q125 VanDerWaalsContact C-N 3.35Å; F123-Q125 PolarHBondContact O-N 3.23Å; F123-K126 WeakPolarHBondContact O-CB 3.37Å; F123-K126 PolarHBondContact O-N 3.21Å; F123-I127 HydrophobicContact CD1-CD1 3.89Å; F123-I127 HydrophobicContact CE1-CD1 3.21Å; F123-I127 HydrophobicContact CE1-CG1 4.21Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.47Å; F123-I127 HydrophobicContact CZ-CD1 3.34Å; F123-I127 HydrophobicContact CZ-CG1 4.19Å; F123-I127 PolarHBondContact O-N 3.32Å
124	Y	95.6	Very high	89	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-48.6	174.9	-73.2	-63.6	0	0	0	112	I116 M117 S118 S119 S120 P121 K126 I127 L128 M149 G151 P152 V181 Y182	I116-Y124 HydrophobicContact CB-CD1 4.42Å; I116-Y124 HydrophobicContact CB-CE1 3.94Å; I116-Y124 HydrophobicContact CG2-CD1 3.86Å; I116-Y124 HydrophobicContact CG2-CE1 3.44Å; I116-Y124 VanDerWaalsContact CG2-CE1 3.44Å; M117-Y124 PolarHBondContact O-OH 2.94Å; S118-Y124 VanDerWaalsContact CA-OH 3.24Å; S118-Y124 WeakPolarHBondContact CA-OH 3.21Å; S119-Y124 PolarHBondContact N-OH 2.98Å; S119-Y124 WeakPolarHBondContact O-CE2 3.34Å; S120-Y124 WeakPolarHBondContact O-CD2 3.35Å; S120-Y124 PolarHBondContact O-N 2.93Å; P121-Y124 PolarHBondContact O-N 2.63Å; Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.04Å; Y124-I127 PolarHBondContact O-N 3.27Å; Y124-L128 WeakPolarHBondContact O-CB 3.43Å; Y124-L128 WeakPolarHBondContact O-CG 3.4Å; Y124-L128 PolarHBondContact O-N 3.46Å; Y124-M149 HydrophobicContact CD1-CE 4.35Å; Y124-M149 HydrophobicContact CD1-SD 3.66Å; Y124-M149 HydrophobicContact CE1-SD 3.67Å; Y124-G151 PolarHBondContact OH-O 3.32Å; Y124-P152 HydrophobicContact CE2-CG 4.02Å; Y124-V181 HydrophobicContact CD2-CG1 3.69Å; Y124-V181 HydrophobicContact CE2-CG1 3.94Å; Y124-Y182 AromaticContact CD1-CD1 3.81Å; Y124-Y182 HydrophobicContact CD1-CD1 3.81Å; Y124-Y182 AromaticContact CD1-CE1 3.85Å; Y124-Y182 HydrophobicContact CD1-CE1 3.85Å; Y124-Y182 HydrophobicContact CD2-CD1 4.12Å; Y124-Y182 HydrophobicContact CD2-CE1 4.12Å; Y124-Y182 HydrophobicContact CE1-CD1 4.27Å; Y124-Y182 AromaticContact CE1-CE1 3.82Å; Y124-Y182 HydrophobicContact CE1-CE1 3.82Å; Y124-Y182 HydrophobicContact CE2-CE1 4.08Å; Y124-Y182 AromaticContact CG-CD1 3.72Å; Y124-Y182 HydrophobicContact CG-CD1 3.72Å; Y124-Y182 HydrophobicContact CG-CE1 4Å; Y124-Y182 AromaticContact CZ-CE1 3.93Å
125	Q	94.7	Very high	86.7	Confident	82 Å²	82	55.1 Å²	55.1	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-36	179.8	-69.5	174.1	29.8	0	0	112.2	P121 F123 K129 R180	P121-Q125 WeakPolarHBondContact O-CB 3.19Å; P121-Q125 VanDerWaalsContact O-CG 3.25Å; P121-Q125 WeakPolarHBondContact O-CG 3.41Å; P121-Q125 PolarHBondContact O-N 3.1Å; F123-Q125 VanDerWaalsContact C-N 3.35Å; F123-Q125 PolarHBondContact O-N 3.23Å; Q125-K129 WeakPolarHBondContact O-CB 3.27Å; Q125-K129 PolarHBondContact O-N 3.44Å; Q125-R180 PolarHBondContact NE2-O 3.33Å
126	K	92.5	Very high	84.4	Confident	72 Å²	72	57.4 Å²	57.4	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-54.4	172.7	176.2	-174.7	166.2	-171.4	0	110.7	D89 S122 F123 Y124 L128 K129 E130	D89-K126 IonicContact OD1-NZ 3.16Å; D89-K126 PolarHBondContact OD1-NZ 2.97Å; S122-K126 VanDerWaalsContact O-CB 3.28Å; S122-K126 WeakPolarHBondContact O-CB 3.19Å; S122-K126 PolarHBondContact O-N 3.28Å; F123-K126 WeakPolarHBondContact O-CB 3.37Å; F123-K126 PolarHBondContact O-N 3.21Å; Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.04Å; K126-L128 PolarHBondContact O-N 2.89Å; K126-K129 PolarHBondContact O-N 2.85Å; K126-E130 WeakPolarHBondContact CE-OE1 3.37Å; K126-E130 WeakPolarHBondContact CE-OE2 3.38Å; K126-E130 HydrophobicContact CG-CG 4.37Å; K126-E130 WeakPolarHBondContact CG-OE1 3.47Å; K126-E130 WeakPolarHBondContact O-CB 3.17Å; K126-E130 WeakPolarHBondContact O-CG 3.43Å; K126-E130 PolarHBondContact O-N 3.42Å
127	I	92.9	Very high	82.6	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-49	-178.6	-73.1	-174.7	0	0	0	111.4	I93 I116 F123 Y124 K129 E130 Y131 F147	I93-I127 HydrophobicContact CB-CG1 4.47Å; I93-I127 HydrophobicContact CD1-CD1 3.95Å; I93-I127 HydrophobicContact CD1-CG1 4.35Å; I93-I127 HydrophobicContact CG1-CD1 4.18Å; I93-I127 HydrophobicContact CG1-CG1 4.04Å; I93-I127 HydrophobicContact CG1-CG2 4.12Å; I116-I127 HydrophobicContact CD1-CD1 3.82Å; I116-I127 HydrophobicContact CG1-CD1 4.3Å; I116-I127 HydrophobicContact CG2-CD1 4.4Å; F123-I127 HydrophobicContact CD1-CD1 3.89Å; F123-I127 HydrophobicContact CE1-CD1 3.21Å; F123-I127 HydrophobicContact CE1-CG1 4.21Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.47Å; F123-I127 HydrophobicContact CZ-CD1 3.34Å; F123-I127 HydrophobicContact CZ-CG1 4.19Å; F123-I127 PolarHBondContact O-N 3.32Å; Y124-I127 PolarHBondContact O-N 3.27Å; I127-K129 VanDerWaalsContact C-N 3.28Å; I127-K129 PolarHBondContact O-N 3.43Å; I127-E130 PolarHBondContact O-N 3.05Å; I127-Y131 VanDerWaalsContact O-CB 3.27Å; I127-Y131 WeakPolarHBondContact O-CB 3.49Å; I127-Y131 PolarHBondContact O-N 3.04Å; I127-F147 HydrophobicContact CG2-CE1 3.74Å; I127-F147 HydrophobicContact CG2-CE2 4.11Å; I127-F147 HydrophobicContact CG2-CZ 3.49Å; I127-F147 VanDerWaalsContact CG2-CZ 3.49Å
128	L	92.4	Very high	81.6	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-35.5	-178.3	-71.4	168.1	0	0	0	111.8	Y124 K126 N132 F147 M149 Y182 D188 I189	Y124-L128 WeakPolarHBondContact O-CB 3.43Å; Y124-L128 WeakPolarHBondContact O-CG 3.4Å; Y124-L128 PolarHBondContact O-N 3.46Å; K126-L128 PolarHBondContact O-N 2.89Å; L128-N132 PolarHBondContact O-N 3.19Å; L128-F147 HydrophobicContact CD2-CD2 3.84Å; L128-F147 HydrophobicContact CD2-CE2 4.2Å; L128-M149 HydrophobicContact CD1-CE 3.96Å; L128-M149 HydrophobicContact CD2-CE 3.62Å; L128-M149 HydrophobicContact CG-CE 3.88Å; L128-Y182 WeakPolarHBondContact CD1-O 3.42Å; L128-D188 HydrophobicContact CD2-CB 4.22Å; L128-I189 HydrophobicContact CD1-CD1 3.95Å; L128-I189 HydrophobicContact CD1-CG1 4.25Å; L128-I189 HydrophobicContact CD2-CD1 4.47Å; L128-I189 HydrophobicContact CD2-CG1 3.86Å
129	K	89.9	Confident	80.6	Confident	170 Å²	170	68.3 Å²	68.3	74%	0.739	36%	0.363	S	S	*	.	H	α-helix	trans	-69.2	-42	175.2	-176.8	-178	175.9	-173.8	0	112.5	Q125 K126 I127 N132	Q125-K129 WeakPolarHBondContact O-CB 3.27Å; Q125-K129 PolarHBondContact O-N 3.44Å; K126-K129 PolarHBondContact O-N 2.85Å; I127-K129 VanDerWaalsContact C-N 3.28Å; I127-K129 PolarHBondContact O-N 3.43Å; K129-N132 WeakPolarHBondContact O-CB 3.46Å
130	E	87.9	Confident	80.1	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-73.1	-34.5	-179.7	-74.1	175.4	178.5	0	0	112.1	I93 K126 I127 N132	I93-E130 HydrophobicContact CG2-CB 3.88Å; I93-E130 VanDerWaalsContact CG2-OE2 3.24Å; I93-E130 WeakPolarHBondContact CG2-OE2 3.41Å; K126-E130 WeakPolarHBondContact CE-OE1 3.37Å; K126-E130 WeakPolarHBondContact CE-OE2 3.38Å; K126-E130 HydrophobicContact CG-CG 4.37Å; K126-E130 WeakPolarHBondContact CG-OE1 3.47Å; K126-E130 WeakPolarHBondContact O-CB 3.17Å; K126-E130 WeakPolarHBondContact O-CG 3.43Å; K126-E130 PolarHBondContact O-N 3.42Å; I127-E130 PolarHBondContact O-N 3.05Å; E130-N132 VanDerWaalsContact C-N 3.29Å; E130-N132 PolarHBondContact O-N 3.35Å
131	Y	87.1	Confident	80	Confident	22 Å²	22	70.4 Å²	70.4	9%	0.086	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-32.5	179.3	-178.9	-106.8	0	0	0	112.7	I94 L97 I127 R133 Y134 I144 F147 D188	I94-Y131 HydrophobicContact CD1-CD2 4.22Å; L97-Y131 HydrophobicContact CD1-CD2 3.66Å; L97-Y131 HydrophobicContact CD1-CE2 4.01Å; I127-Y131 VanDerWaalsContact O-CB 3.27Å; I127-Y131 WeakPolarHBondContact O-CB 3.49Å; I127-Y131 PolarHBondContact O-N 3.04Å; Y131-R133 CarbonylContact O-C 3.35Å; Y131-R133 VanDerWaalsContact O-C 3.28Å; Y131-R133 WeakPolarHBondContact O-CA 3.37Å; Y131-R133 PolarHBondContact O-N 3.01Å; Y131-Y134 PolarHBondContact O-N 3.44Å; Y131-I144 HydrophobicContact CE2-CD1 4.03Å; Y131-I144 HydrophobicContact CE2-CG2 4.1Å; Y131-I144 WeakPolarHBondContact OH-CB 3.28Å; Y131-I144 WeakPolarHBondContact OH-CG2 3.46Å; Y131-F147 HydrophobicContact CD1-CD2 4.28Å; Y131-F147 AromaticContact CD1-CE2 3.49Å; Y131-F147 HydrophobicContact CD1-CE2 3.49Å; Y131-F147 VanDerWaalsContact CD1-CE2 3.49Å; Y131-F147 HydrophobicContact CD1-CZ 4.28Å; Y131-F147 AromaticContact CD2-CE2 3.91Å; Y131-F147 HydrophobicContact CD2-CE2 3.91Å; Y131-F147 AromaticContact CD2-CZ 3.85Å; Y131-F147 HydrophobicContact CD2-CZ 3.85Å; Y131-F147 HydrophobicContact CE1-CE2 4.1Å; Y131-F147 HydrophobicContact CE2-CE2 4.48Å; Y131-F147 AromaticContact CG-CE2 3.36Å; Y131-F147 HydrophobicContact CG-CE2 3.36Å; Y131-F147 AromaticContact CG-CZ 3.72Å; Y131-F147 HydrophobicContact CG-CZ 3.72Å; Y131-D188 HydrophobicContact CD1-CB 3.8Å; Y131-D188 HydrophobicContact CE1-CB 4.02Å
132	N	65.1	Low	80	Confident	115 Å²	115	67.9 Å²	67.9	62%	0.615	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-24.3	84	-168.7	-167.4	-16.3	0	0	0	113.5	L128 K129 E130	L128-N132 PolarHBondContact O-N 3.19Å; K129-N132 WeakPolarHBondContact O-CB 3.46Å; E130-N132 VanDerWaalsContact C-N 3.29Å; E130-N132 PolarHBondContact O-N 3.35Å
133	R	57	Low	80	Confident	182 Å²	182	65.9 Å²	65.9	69%	0.687	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	78.9	-171.1	-61.2	178.2	-166.7	153.1	5	114.3	Y131 C135	Y131-R133 CarbonylContact O-C 3.35Å; Y131-R133 VanDerWaalsContact O-C 3.28Å; Y131-R133 WeakPolarHBondContact O-CA 3.37Å; Y131-R133 PolarHBondContact O-N 3.01Å; R133-C135 VanDerWaalsContact C-N 3.33Å; R133-C135 VanDerWaalsContact O-CA 3.31Å; R133-C135 WeakPolarHBondContact O-CA 3.35Å; R133-C135 VanDerWaalsContact O-CB 3.25Å; R133-C135 WeakPolarHBondContact O-CB 3.49Å; R133-C135 PolarHBondContact O-N 3.11Å
134	Y	59.2	Low	79.9	Confident	65 Å²	65	66.8 Å²	66.8	26%	0.255	35%	0.349	S	S	.	.			trans	-43.5	98.2	168.6	-166.7	-124.3	0	0	0	110.5	I94 R98 Y131 A136	I94-Y134 HydrophobicContact CB-CD2 4.28Å; I94-Y134 HydrophobicContact CB-CE2 4.06Å; I94-Y134 HydrophobicContact CD1-CD2 3.45Å; I94-Y134 VanDerWaalsContact CD1-CD2 3.45Å; I94-Y134 HydrophobicContact CD1-CE2 4.12Å; I94-Y134 HydrophobicContact CD1-CG 3.9Å; I94-Y134 HydrophobicContact CG1-CD2 3.98Å; I94-Y134 HydrophobicContact CG1-CE2 4.24Å; I94-Y134 HydrophobicContact CG2-CD2 3.58Å; I94-Y134 HydrophobicContact CG2-CE2 2.94Å; I94-Y134 VanDerWaalsContact CG2-CZ 3.44Å; I94-Y134 WeakPolarHBondContact CG2-OH 3.46Å; R98-Y134 HydrophobicContact CB-CE1 4.31Å; R98-Y134 WeakPolarHBondContact CD-OH 3.3Å; R98-Y134 HydrophobicContact CG-CE1 4.45Å; Y131-Y134 PolarHBondContact O-N 3.44Å; Y134-A136 PolarHBondContact O-N 3.07Å; Y134-A136 VanDerWaalsContact O-N 3.16Å
135	C	46.6	Very low	79.9	Confident	133 Å²	133	68.5 Å²	68.5	90%	0.899	36%	0.358	S	S	*	.			trans	-95.4	43.3	-159.3	-154.6	0	0	0	0	110.6	R133	R133-C135 VanDerWaalsContact C-N 3.33Å; R133-C135 VanDerWaalsContact O-CA 3.31Å; R133-C135 WeakPolarHBondContact O-CA 3.35Å; R133-C135 VanDerWaalsContact O-CB 3.25Å; R133-C135 WeakPolarHBondContact O-CB 3.49Å; R133-C135 PolarHBondContact O-N 3.11Å
136	A	49.4	Very low	79.9	Confident	47 Å²	47	65 Å²	65	39%	0.388	34%	0.344	S	S	.	.			trans	-132.1	103.3	169.9	0	0	0	0	0	106.7	Y134 D138	Y134-A136 PolarHBondContact O-N 3.07Å; Y134-A136 VanDerWaalsContact O-N 3.16Å; A136-D138 PolarHBondContact O-N 3.38Å
137	S	56.3	Low	80.1	Confident	109 Å²	109	61.5 Å²	61.5	76%	0.762	33%	0.329	S	S	*	.			trans	-59.9	89.8	162.6	52.7	0	0	0	0	107.3	E139	S137-E139 VanDerWaalsContact C-N 3.34Å; S137-E139 PolarHBondContact O-N 2.87Å; S137-E139 VanDerWaalsContact O-N 3.13Å
138	D	74.2	Confident	80.4	Confident	31 Å²	31	61.5 Å²	61.5	17%	0.166	33%	0.329	C	S	.	.			trans	-77	96.8	167.2	-165.1	-24.9	0	0	0	106.2	R98 R102 A136 N140 A141	R98-D138 IonicContact CZ-OD2 3.86Å; R98-D138 VanDerWaalsContact CZ-OD2 3.31Å; R98-D138 IonicContact NE-OD2 2.84Å; R98-D138 PolarHBondContact NE-OD2 3.42Å; R98-D138 IonicContact NH2-OD2 2.82Å; R98-D138 PolarHBondContact NH2-OD2 2.97Å; R102-D138 IonicContact CZ-OD2 3.46Å; R102-D138 IonicContact NE-OD2 2.96Å; R102-D138 PolarHBondContact NE-OD2 3.17Å; R102-D138 IonicContact NH2-OD1 3.37Å; R102-D138 IonicContact NH2-OD2 3.24Å; R102-D138 PolarHBondContact NH2-OD2 3.32Å; A136-D138 PolarHBondContact O-N 3.38Å; D138-N140 PolarHBondContact O-N 2.86Å; D138-N140 PolarHBondContact OD1-N 3.26Å; D138-A141 HydrophobicContact CB-CB 3.74Å; D138-A141 WeakPolarHBondContact O-CB 3.46Å; D138-A141 PolarHBondContact O-N 3.16Å
139	E	74.8	Confident	80.6	Confident	102 Å²	102	61 Å²	61	48%	0.477	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-15.9	-177	-66.2	176.4	-175.5	0	0	113.1	S137 R401	S137-E139 VanDerWaalsContact C-N 3.34Å; S137-E139 PolarHBondContact O-N 2.87Å; S137-E139 VanDerWaalsContact O-N 3.13Å; E139-R401 IonicContact OE2-CZ 2.63Å; E139-R401 IonicContact OE2-NH1 3.18Å; E139-R401 PolarHBondContact OE2-NH1 2.65Å; E139-R401 IonicContact OE2-NH2 3.84Å
140	N	85.8	Confident	81	Confident	80 Å²	80	52.9 Å²	52.9	43%	0.428	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	39.4	176.4	-66.2	-58.5	0	0	0	111.9	R102 L105 D138	R102-N140 WeakPolarHBondContact CG-O 3.41Å; L105-N140 VanDerWaalsContact CD1-C 3.47Å; L105-N140 WeakPolarHBondContact CD1-O 3.37Å; D138-N140 PolarHBondContact O-N 2.86Å; D138-N140 PolarHBondContact OD1-N 3.26Å
141	A	93.3	Very high	81.4	Confident	15 Å²	15	48.9 Å²	48.9	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-144.1	146.1	-179.6	0	0	0	0	0	112	R102 D138 A143	R102-A141 HydrophobicContact CG-CB 4.07Å; D138-A141 HydrophobicContact CB-CB 3.74Å; D138-A141 WeakPolarHBondContact O-CB 3.46Å; D138-A141 PolarHBondContact O-N 3.16Å; A141-A143 PolarHBondContact O-N 3.2Å
142	A	94.9	Very high	82	Confident	4 Å²	4	48 Å²	48	3%	0.033	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.9	135.3	173.3	0	0	0	0	0	111.4	S101 L104 L105 V109 T110 F112	S101-A142 WeakPolarHBondContact CB-O 3.48Å; S101-A142 WeakPolarHBondContact O-CB 3.34Å; S101-A142 PolarHBondContact O-N 3.2Å; S101-A142 PolarHBondContact OG-O 3.3Å; S101-A142 VanDerWaalsContact OG-O 3.13Å; L104-A142 HydrophobicContact CB-CB 4.2Å; L104-A142 HydrophobicContact CD1-CB 4.42Å; L105-A142 HydrophobicContact CD2-CB 4.18Å; V109-A142 WeakPolarHBondContact O-CB 3.28Å; T110-A142 CarbonylContact O-C 3.57Å; T110-A142 VanDerWaalsContact O-CA 3.28Å; T110-A142 WeakPolarHBondContact O-CA 3.22Å; F112-A142 HydrophobicContact CD1-CB 3.86Å; F112-A142 HydrophobicContact CE1-CB 4.07Å
143	A	94.5	Very high	83.5	Confident	41 Å²	41	42.5 Å²	42.5	34%	0.339	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.4	178.8	0	0	0	0	0	111.4	T110 S111 F112 A141	T110-A143 PolarHBondContact O-N 3.46Å; S111-A143 CarbonylContact C-O 3.35Å; S111-A143 WeakPolarHBondContact CA-O 3.3Å; F112-A143 PolarHBondContact N-O 3.12Å; A141-A143 PolarHBondContact O-N 3.2Å
144	I	94.7	Very high	85.5	Confident	34 Å²	34	33.8 Å²	33.8	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.7	173.8	-67.3	166.3	0	0	0	108.4	L97 F112 P114 Y131 G146	L97-I144 HydrophobicContact CB-CD1 3.97Å; L97-I144 HydrophobicContact CD1-CD1 4.22Å; L97-I144 HydrophobicContact CD2-CD1 4.06Å; L97-I144 HydrophobicContact CG-CD1 4.31Å; F112-I144 HydrophobicContact CD1-CG1 4.38Å; F112-I144 HydrophobicContact CE1-CD1 4.47Å; F112-I144 HydrophobicContact CE1-CG1 3.55Å; F112-I144 HydrophobicContact CE2-CG1 4.43Å; F112-I144 HydrophobicContact CZ-CD1 4.16Å; F112-I144 HydrophobicContact CZ-CG1 3.59Å; P114-I144 HydrophobicContact CG-CG2 3.71Å; Y131-I144 HydrophobicContact CE2-CD1 4.03Å; Y131-I144 HydrophobicContact CE2-CG2 4.1Å; Y131-I144 WeakPolarHBondContact OH-CB 3.28Å; Y131-I144 WeakPolarHBondContact OH-CG2 3.46Å; I144-G146 VanDerWaalsContact C-N 3.28Å; I144-G146 PolarHBondContact O-N 2.8Å
145	L	94.8	Very high	87.2	Confident	37 Å²	37	31.2 Å²	31.2	19%	0.194	20%	0.198	C	C	.	.			trans	-89.6	8.8	-176.4	-58.3	179.5	0	0	0	113.6	I74 F112 L367 I369 K373	I74-L145 HydrophobicContact CG2-CD1 3.57Å; F112-L145 PolarHBondContact O-N 3.28Å; L145-L367 HydrophobicContact CB-CD1 4.21Å; L145-L367 HydrophobicContact CD1-CD1 3.46Å; L145-L367 VanDerWaalsContact CD1-CD1 3.46Å; L145-L367 HydrophobicContact CG-CD1 4.47Å; L145-I369 HydrophobicContact CD1-CD1 3.78Å; L145-I369 HydrophobicContact CD2-CD1 4.1Å; L145-K373 HydrophobicContact CD2-CD 4.48Å
146	G	94.9	Very high	89.4	Confident	8 Å²	8	26.7 Å²	26.7	8%	0.082	17%	0.168	C	C	.	.			trans	101.1	162	-168.5	0	0	0	0	0	112.3	C113 I144 D188	C113-G146 WeakPolarHBondContact CA-O 3.42Å; C113-G146 WeakPolarHBondContact CB-O 3.38Å; C113-G146 PolarHBondContact SG-O 3.29Å; I144-G146 VanDerWaalsContact C-N 3.28Å; I144-G146 PolarHBondContact O-N 2.8Å; G146-D188 CarbonylContact C-O 3.58Å; G146-D188 VanDerWaalsContact CA-O 3.28Å; G146-D188 WeakPolarHBondContact CA-O 3.47Å
147	F	96.6	Very high	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	145.5	-175.4	-72	-80.7	0	0	0	112.9	L97 P114 I116 I127 L128 Y131 M149 D188 R190 M191	L97-F147 HydrophobicContact CD1-CE1 4.48Å; L97-F147 HydrophobicContact CD1-CZ 4.17Å; P114-F147 HydrophobicContact CB-CD1 3.94Å; P114-F147 HydrophobicContact CB-CE1 3.97Å; P114-F147 HydrophobicContact CG-CD1 3.58Å; P114-F147 HydrophobicContact CG-CE1 3.69Å; P114-F147 HydrophobicContact CG-CG 4.26Å; P114-F147 HydrophobicContact CG-CZ 4.47Å; P114-F147 WeakPolarHBondContact O-CA 3.11Å; I116-F147 HydrophobicContact CD1-CD1 4.21Å; I116-F147 HydrophobicContact CD1-CE1 4.16Å; I116-F147 HydrophobicContact CG1-CD1 3.86Å; I116-F147 HydrophobicContact CG1-CE1 4.23Å; I127-F147 HydrophobicContact CG2-CE1 3.74Å; I127-F147 HydrophobicContact CG2-CE2 4.11Å; I127-F147 HydrophobicContact CG2-CZ 3.49Å; I127-F147 VanDerWaalsContact CG2-CZ 3.49Å; L128-F147 HydrophobicContact CD2-CD2 3.84Å; L128-F147 HydrophobicContact CD2-CE2 4.2Å; Y131-F147 HydrophobicContact CD1-CD2 4.28Å; Y131-F147 AromaticContact CD1-CE2 3.49Å; Y131-F147 HydrophobicContact CD1-CE2 3.49Å; Y131-F147 VanDerWaalsContact CD1-CE2 3.49Å; Y131-F147 HydrophobicContact CD1-CZ 4.28Å; Y131-F147 AromaticContact CD2-CE2 3.91Å; Y131-F147 HydrophobicContact CD2-CE2 3.91Å; Y131-F147 AromaticContact CD2-CZ 3.85Å; Y131-F147 HydrophobicContact CD2-CZ 3.85Å; Y131-F147 HydrophobicContact CE1-CE2 4.1Å; Y131-F147 HydrophobicContact CE2-CE2 4.48Å; Y131-F147 AromaticContact CG-CE2 3.36Å; Y131-F147 HydrophobicContact CG-CE2 3.36Å; Y131-F147 AromaticContact CG-CZ 3.72Å; Y131-F147 HydrophobicContact CG-CZ 3.72Å; F147-M149 HydrophobicContact CB-CE 3.66Å; F147-M149 HydrophobicContact CB-SD 4.4Å; F147-M149 HydrophobicContact CD2-CE 4.39Å; F147-M149 HydrophobicContact CG-CE 3.97Å; F147-D188 HydrophobicContact CD2-CB 4.24Å; F147-D188 PolarHBondContact N-O 2.8Å; F147-R190 PolarHBondContact O-N 3.04Å; F147-M191 PolarHBondContact O-N 3.07Å
148	H	98.2	Very high	93.1	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.5	159.7	172.3	-173.7	0	0	0	108.4	L76 C113 P114 T115 I116 E150 M191 T193	L76-H148 PolarHBondContact O-ND1 2.87Å; C113-H148 HydrophobicContact CB-CB 4.03Å; P114-H148 PolarHBondContact O-N 3.37Å; T115-H148 CarbonylContact C-O 3.53Å; T115-H148 VanDerWaalsContact CA-O 3.24Å; T115-H148 WeakPolarHBondContact CA-O 3.22Å; T115-H148 HydrophobicContact CG2-CB 4.26Å; T115-H148 PolarHBondContact OG1-ND1 3.44Å; I116-H148 PolarHBondContact N-O 2.84Å; H148-E150 PolarHBondContact O-N 2.8Å; H148-M191 CarbonylContact C-O 3.44Å; H148-M191 WeakPolarHBondContact CA-O 3.22Å; H148-M191 HydrophobicContact CB-CG 3.55Å; H148-M191 HydrophobicContact CB-SD 4.01Å; H148-T193 PolarHBondContact NE2-OG1 3.04Å
149	M	98.1	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	102.8	171.8	-58.9	-57.8	177.1	0	0	109.7	I116 Y124 L128 F147 G151 Y182 I189 M191 I192 T193	I116-M149 HydrophobicContact CB-SD 3.86Å; I116-M149 HydrophobicContact CG1-SD 4.07Å; Y124-M149 HydrophobicContact CD1-CE 4.35Å; Y124-M149 HydrophobicContact CD1-SD 3.66Å; Y124-M149 HydrophobicContact CE1-SD 3.67Å; L128-M149 HydrophobicContact CD1-CE 3.96Å; L128-M149 HydrophobicContact CD2-CE 3.62Å; L128-M149 HydrophobicContact CG-CE 3.88Å; F147-M149 HydrophobicContact CB-CE 3.66Å; F147-M149 HydrophobicContact CB-SD 4.4Å; F147-M149 HydrophobicContact CD2-CE 4.39Å; F147-M149 HydrophobicContact CG-CE 3.97Å; M149-G151 PolarHBondContact O-N 2.87Å; M149-Y182 HydrophobicContact CB-CE1 3.68Å; M149-Y182 HydrophobicContact CG-CD1 4.02Å; M149-Y182 HydrophobicContact CG-CE1 3.68Å; M149-Y182 HydrophobicContact SD-CD1 4.3Å; M149-Y182 HydrophobicContact SD-CE1 4.16Å; M149-I189 HydrophobicContact CE-CD1 4.18Å; M149-I189 HydrophobicContact CE-CG1 3.91Å; M149-I189 HydrophobicContact CG-CD1 4.06Å; M149-I189 HydrophobicContact CG-CG1 4.21Å; M149-I189 HydrophobicContact CG-CG2 3.92Å; M149-M191 PolarHBondContact N-O 3.19Å; M149-I192 HydrophobicContact CB-CG1 4.2Å; M149-I192 CarbonylContact O-C 3.28Å; M149-I192 VanDerWaalsContact O-CA 3.32Å; M149-I192 WeakPolarHBondContact O-CA 3.33Å; M149-T193 PolarHBondContact O-N 2.86Å
150	E	97.9	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	90	179.3	-166.9	-173	120.2	0	0	109.7	Q77 K79 T115 I116 M117 S118 H148 H162 T193 Y219	Q77-E150 PolarHBondContact NE2-OE2 3.24Å; K79-E150 VanDerWaalsContact CE-OE1 3.29Å; K79-E150 WeakPolarHBondContact CE-OE1 3.31Å; K79-E150 WeakPolarHBondContact CE-OE2 3.18Å; K79-E150 VanDerWaalsContact NZ-CD 3.33Å; K79-E150 IonicContact NZ-OE1 3.21Å; K79-E150 PolarHBondContact NZ-OE1 3.34Å; K79-E150 IonicContact NZ-OE2 2.73Å; K79-E150 PolarHBondContact NZ-OE2 2.91Å; T115-E150 HydrophobicContact CG2-CB 3.73Å; T115-E150 WeakPolarHBondContact CG2-OE2 3Å; I116-E150 PolarHBondContact O-N 2.89Å; M117-E150 CarbonylContact C-O 3.52Å; M117-E150 WeakPolarHBondContact CA-O 3.3Å; S118-E150 PolarHBondContact N-O 2.83Å; H148-E150 PolarHBondContact O-N 2.8Å; E150-H162 PolarHBondContact O-CE1 3.38Å; E150-H162 IonicContact OE1-CE1 3.67Å; E150-H162 IonicContact OE1-NE2 3.79Å; E150-H162 PolarHBondContact OE1-NE2 3.11Å; E150-T193 HydrophobicContact CG-CG2 4.35Å; E150-Y219 HydrophobicContact CG-CD2 4.26Å; E150-Y219 HydrophobicContact CG-CE2 3.65Å; E150-Y219 WeakPolarHBondContact OE1-CE2 3.42Å; E150-Y219 PolarHBondContact OE1-OH 2.91Å
151	G	96.9	Very high	94.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.102	C	C	.	.			trans	86.7	-178.2	-165.8	0	0	0	0	0	112.8	Y124 M149 Y182 T193	Y124-G151 PolarHBondContact OH-O 3.32Å; M149-G151 PolarHBondContact O-N 2.87Å; G151-Y182 PolarHBondContact O-OH 2.89Å; G151-T193 PolarHBondContact N-O 2.87Å
152	P	97.7	Very high	94.2	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.013	10%	0.096	C	C	.	.	S	Bend	cis	-89.7	-2.7	18.1	33.8	-33.9	0	0	0	115.7	S118 Y124 I154 N166 L168 V181 Y182	S118-P152 WeakPolarHBondContact OG-CA 3.38Å; Y124-P152 HydrophobicContact CE2-CG 4.02Å; P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.3Å; P152-N166 WeakPolarHBondContact CB-O 3.4Å; P152-L168 HydrophobicContact CB-CD1 4.5Å; P152-L168 HydrophobicContact CB-CG 4.22Å; P152-L168 HydrophobicContact CG-CD1 3.92Å; P152-L168 HydrophobicContact CG-CG 4.18Å; P152-L168 PolarHBondContact O-N 2.73Å; P152-V181 HydrophobicContact CG-CG1 3.67Å; P152-V181 HydrophobicContact CG-CG2 4.46Å; P152-Y182 VanDerWaalsContact CD-OH 3.25Å; P152-Y182 WeakPolarHBondContact CD-OH 3.46Å
153	F	98.5	Very high	93.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-79.1	71.2	-176.3	-59.8	-78.7	0	0	0	112.7	L168 F171 S177 I178 V181 Y182 L194 A195 L198	F153-L168 WeakPolarHBondContact CA-O 3.48Å; F153-L168 HydrophobicContact CD1-CB 3.84Å; F153-L168 HydrophobicContact CD1-CD1 4.28Å; F153-L168 HydrophobicContact CE1-CB 4.02Å; F153-L168 HydrophobicContact CE1-CD1 3.7Å; F153-L168 HydrophobicContact CZ-CD1 3.94Å; F153-F171 HydrophobicContact CB-CE1 3.6Å; F153-F171 HydrophobicContact CB-CE2 3.78Å; F153-F171 HydrophobicContact CB-CZ 3.17Å; F153-F171 AromaticContact CD1-CD1 3.57Å; F153-F171 HydrophobicContact CD1-CD1 3.57Å; F153-F171 HydrophobicContact CD1-CD2 4.31Å; F153-F171 AromaticContact CD1-CE1 3.42Å; F153-F171 HydrophobicContact CD1-CE1 3.42Å; F153-F171 VanDerWaalsContact CD1-CE1 3.42Å; F153-F171 HydrophobicContact CD1-CE2 4.19Å; F153-F171 HydrophobicContact CD1-CG 4.03Å; F153-F171 AromaticContact CD1-CZ 3.78Å; F153-F171 HydrophobicContact CD1-CZ 3.78Å; F153-F171 HydrophobicContact CD2-CD1 4.23Å; F153-F171 AromaticContact CD2-CE1 3.45Å; F153-F171 HydrophobicContact CD2-CE1 3.45Å; F153-F171 VanDerWaalsContact CD2-CE1 3.45Å; F153-F171 AromaticContact CD2-CZ 3.97Å; F153-F171 HydrophobicContact CD2-CZ 3.97Å; F153-F171 AromaticContact CE1-CD1 3.66Å; F153-F171 HydrophobicContact CE1-CD1 3.66Å; F153-F171 AromaticContact CE1-CE1 3.86Å; F153-F171 HydrophobicContact CE1-CE1 3.86Å; F153-F171 HydrophobicContact CE1-CG 4.27Å; F153-F171 HydrophobicContact CE2-CD1 4.32Å; F153-F171 AromaticContact CE2-CE1 3.9Å; F153-F171 HydrophobicContact CE2-CE1 3.9Å; F153-F171 AromaticContact CG-CD1 3.86Å; F153-F171 HydrophobicContact CG-CD1 3.86Å; F153-F171 AromaticContact CG-CE1 3.18Å; F153-F171 HydrophobicContact CG-CE1 3.18Å; F153-F171 HydrophobicContact CG-CE2 4.14Å; F153-F171 AromaticContact CG-CZ 3.38Å; F153-F171 HydrophobicContact CG-CZ 3.38Å; F153-F171 HydrophobicContact CZ-CD1 4.04Å; F153-F171 HydrophobicContact CZ-CE1 4.07Å; F153-S177 WeakPolarHBondContact CZ-O 3.33Å; F153-I178 HydrophobicContact CD2-CD1 4.1Å; F153-I178 HydrophobicContact CE2-CD1 3.84Å; F153-V181 HydrophobicContact CE1-CG2 4.49Å; F153-V181 HydrophobicContact CE2-CB 4.12Å; F153-V181 HydrophobicContact CE2-CG1 4.38Å; F153-V181 HydrophobicContact CE2-CG2 3.93Å; F153-V181 HydrophobicContact CZ-CB 4.18Å; F153-V181 HydrophobicContact CZ-CG2 3.54Å; F153-Y182 HydrophobicContact CE2-CE2 4.17Å; F153-L194 HydrophobicContact CB-CB 4.32Å; F153-L194 CarbonylContact O-C 3.59Å; F153-L194 VanDerWaalsContact O-CA 3.23Å; F153-L194 WeakPolarHBondContact O-CA 3.45Å; F153-L194 WeakPolarHBondContact O-CB 3.21Å; F153-A195 PolarHBondContact O-N 3.41Å; F153-L198 VanDerWaalsContact C-CD1 3.42Å; F153-L198 HydrophobicContact CB-CD1 4.22Å; F153-L198 WeakPolarHBondContact O-CD1 3.45Å
154	I	97.4	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-130	165.1	-174.1	60.5	173.5	0	0	0	111.7	P152 S156 H162 V167 L168 Y219	P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.3Å; I154-S156 PolarHBondContact O-N 3.33Å; I154-H162 HydrophobicContact CD1-CB 3.74Å; I154-V167 HydrophobicContact CD1-CG2 4.05Å; I154-V167 HydrophobicContact CG1-CG1 3.84Å; I154-V167 HydrophobicContact CG1-CG2 4.02Å; I154-V167 WeakPolarHBondContact O-CG1 3.41Å; I154-L168 PolarHBondContact N-O 2.85Å; I154-Y219 HydrophobicContact CB-CG 4.4Å; I154-Y219 HydrophobicContact CD1-CD1 4.11Å; I154-Y219 HydrophobicContact CD1-CG 3.99Å; I154-Y219 HydrophobicContact CG2-CD2 4.36Å; I154-Y219 HydrophobicContact CG2-CG 4.19Å
155	S	95.7	Very high	93.6	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.07	14%	0.144	C	C	.	.			trans	-70	124.5	178	-177.7	0	0	0	0	111	I157 K158 R159 E197 Y219	S155-I157 PolarHBondContact O-N 2.82Å; S155-I157 VanDerWaalsContact O-N 3.15Å; S155-I157 PolarHBondContact OG-N 2.86Å; S155-K158 CarbonylContact O-C 3.48Å; S155-K158 PolarHBondContact O-N 2.99Å; S155-R159 PolarHBondContact O-N 2.86Å; S155-E197 WeakPolarHBondContact CB-OE1 3.43Å; S155-Y219 WeakPolarHBondContact CB-O 3.43Å; S155-Y219 PolarHBondContact N-O 3.45Å
156	S	92.5	Very high	93.6	Very high	38 Å²	38	29 Å²	29	27%	0.266	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-54.6	-33	173.3	-57.3	0	0	0	0	113	I154 R159	I154-S156 PolarHBondContact O-N 3.33Å; S156-R159 WeakPolarHBondContact O-CG 3.4Å
157	I	91.6	Very high	93.6	Very high	93 Å²	93	29.4 Å²	29.4	48%	0.477	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-77.4	-28.1	-179.8	-57.6	169.9	0	0	0	111.7	S155	S155-I157 PolarHBondContact O-N 2.82Å; S155-I157 VanDerWaalsContact O-N 3.15Å; S155-I157 PolarHBondContact OG-N 2.86Å
158	K	91.9	Very high	93.7	Very high	15 Å²	15	31.9 Å²	31.9	7%	0.065	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-110	23.6	-179	-62.5	-70.3	-177.9	174.1	0	112	S155 G160 Y219 N221 A244 M245 M328	S155-K158 CarbonylContact O-C 3.48Å; S155-K158 PolarHBondContact O-N 2.99Å; K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 3.04Å; K158-Y219 WeakPolarHBondContact O-CD1 3.48Å; K158-N221 WeakPolarHBondContact CE-OD1 3.35Å; K158-N221 HydrophobicContact CG-CB 3.97Å; K158-A244 WeakPolarHBondContact CB-O 3.46Å; K158-A244 WeakPolarHBondContact O-CB 3.11Å; K158-M245 VanDerWaalsContact CE-O 3.3Å; K158-M245 WeakPolarHBondContact CE-O 3.27Å; K158-M245 PolarHBondContact NZ-O 3.4Å; K158-M328 HydrophobicContact CD-CE 4.35Å
159	R	90.4	Very high	93.4	Very high	11 Å²	11	36.4 Å²	36.4	4%	0.042	18%	0.181	C	C	.	.			trans	-63.6	-25.8	-175.4	70.5	-179.3	-179.4	92.1	-6.5	114.3	S155 S156 C161 H162 V167 Y219 D315	S155-R159 PolarHBondContact O-N 2.86Å; S156-R159 WeakPolarHBondContact O-CG 3.4Å; R159-C161 PolarHBondContact O-N 3.36Å; R159-H162 HydrophobicContact CB-CB 4.34Å; R159-H162 PolarHBondContact NH1-O 2.94Å; R159-H162 WeakPolarHBondContact O-CB 3.28Å; R159-H162 PolarHBondContact O-CD2 3.45Å; R159-H162 PolarHBondContact O-N 3.39Å; R159-V167 HydrophobicContact CB-CG2 4.12Å; R159-Y219 WeakPolarHBondContact O-CD1 3.41Å; R159-Y219 WeakPolarHBondContact O-CE1 3.2Å; R159-D315 IonicContact NH2-OD2 2.84Å
160	G	86.4	Confident	93.2	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-124.5	-175.3	0	0	0	0	0	111.6	K158 H162 N325	K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 3.04Å; G160-H162 VanDerWaalsContact C-N 3.31Å; G160-H162 PolarHBondContact O-N 3.17Å; G160-N325 PolarHBondContact N-OD1 2.73Å; G160-N325 VanDerWaalsContact N-OD1 3.13Å
161	C	84	Confident	93.1	Very high	34 Å²	34	40.2 Å²	40.2	23%	0.23	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.7	178.9	50.5	0	0	0	0	115.2	M117 R159 K163 T329	M117-C161 HydrophobicContact CE-CB 4.24Å; M117-C161 WeakPolarHBondContact CE-SG 3.33Å; R159-C161 PolarHBondContact O-N 3.36Å; C161-K163 PolarHBondContact O-N 3.38Å; C161-T329 HydrophobicContact CB-CG2 3.68Å
162	H	89.7	Confident	92.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	22%	0.218	C	C	.	.	S	Bend	trans	-69.1	132.5	176.9	-69.3	-97.2	0	0	0	110.4	M117 S118 E150 I154 R159 G160 R164 V167 Y219	M117-H162 WeakPolarHBondContact CE-NE2 3.48Å; S118-H162 WeakPolarHBondContact CB-ND1 3.35Å; S118-H162 PolarHBondContact N-CE1 2.86Å; S118-H162 PolarHBondContact N-ND1 3.04Å; S118-H162 PolarHBondContact OG-ND1 3.22Å; E150-H162 PolarHBondContact O-CE1 3.38Å; E150-H162 IonicContact OE1-CE1 3.67Å; E150-H162 IonicContact OE1-NE2 3.79Å; E150-H162 PolarHBondContact OE1-NE2 3.11Å; I154-H162 HydrophobicContact CD1-CB 3.74Å; R159-H162 HydrophobicContact CB-CB 4.34Å; R159-H162 PolarHBondContact NH1-O 2.94Å; R159-H162 WeakPolarHBondContact O-CB 3.28Å; R159-H162 PolarHBondContact O-CD2 3.45Å; R159-H162 PolarHBondContact O-N 3.39Å; G160-H162 VanDerWaalsContact C-N 3.31Å; G160-H162 PolarHBondContact O-N 3.17Å; H162-R164 PolarHBondContact O-N 3.41Å; H162-V167 HydrophobicContact CB-CG2 4.12Å; H162-Y219 AromaticContact CD2-CD1 3.65Å; H162-Y219 AromaticContact CD2-CE1 3.25Å; H162-Y219 WeakPolarHBondContact CD2-CE1 3.06Å; H162-Y219 AromaticContact CD2-CZ 3.57Å; H162-Y219 AromaticContact NE2-CD1 3.98Å; H162-Y219 AromaticContact NE2-CE1 3.46Å; H162-Y219 WeakPolarHBondContact NE2-CE1 3.32Å; H162-Y219 AromaticContact NE2-CE2 3.57Å; H162-Y219 AromaticContact NE2-CZ 3.23Å
163	K	88.5	Confident	92.7	Very high	125 Å²	125	48 Å²	48	54%	0.543	24%	0.243	S	C	.	.			trans	-63.7	128.4	179.5	-69.9	-173.2	180	-175.3	0	109.9	C161 E165 N166 V167	C161-K163 PolarHBondContact O-N 3.38Å; K163-E165 VanDerWaalsContact C-N 3.25Å; K163-E165 HydrophobicContact CB-CG 4.46Å; K163-E165 PolarHBondContact O-N 2.9Å; K163-N166 HydrophobicContact CB-CB 4.42Å; K163-N166 PolarHBondContact O-N 3.4Å; K163-V167 PolarHBondContact O-N 2.88Å
164	R	90.6	Very high	92.6	Very high	95 Å²	95	48.2 Å²	48.2	36%	0.358	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.9	-40.3	-173.3	173.2	174.3	-93.6	179.9	-8.7	111.6	H162 N166 V167 C317 E321	H162-R164 PolarHBondContact O-N 3.41Å; R164-N166 PolarHBondContact O-N 3.37Å; R164-V167 PolarHBondContact O-N 3.1Å; R164-C317 PolarHBondContact NH1-SG 2.93Å; R164-C317 PolarHBondContact NH2-SG 3.4Å; R164-E321 IonicContact CZ-OE1 2.8Å; R164-E321 IonicContact CZ-OE2 3.54Å; R164-E321 IonicContact NH2-OE1 2.7Å; R164-E321 PolarHBondContact NH2-OE1 2.84Å; R164-E321 IonicContact NH2-OE2 3.95Å; R164-E321 PolarHBondContact NH2-OE2 3.36Å
165	E	93.5	Very high	92.5	Very high	139 Å²	139	48.8 Å²	48.8	65%	0.65	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-64.6	-18	179.3	65.8	-89.4	-152.8	0	0	114.2	K163	K163-E165 VanDerWaalsContact C-N 3.25Å; K163-E165 HydrophobicContact CB-CG 4.46Å; K163-E165 PolarHBondContact O-N 2.9Å
166	N	94.8	Very high	92.6	Very high	33 Å²	33	53.9 Å²	53.9	18%	0.176	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-100.8	-7.4	178.8	-65.6	-22.6	0	0	0	113.1	S118 P152 K163 R164	S118-N166 VanDerWaalsContact O-CB 3.24Å; S118-N166 WeakPolarHBondContact O-CB 3.28Å; S118-N166 PolarHBondContact O-ND2 3.48Å; P152-N166 WeakPolarHBondContact CB-O 3.4Å; K163-N166 HydrophobicContact CB-CB 4.42Å; K163-N166 PolarHBondContact O-N 3.4Å; R164-N166 PolarHBondContact O-N 3.37Å
167	V	95.7	Very high	92.8	Very high	17 Å²	17	52.2 Å²	52.2	10%	0.103	26%	0.258	C	S	.	.			trans	-79.9	134.1	179.7	174	0	0	0	0	109.9	I154 R159 H162 K163 R164	I154-V167 HydrophobicContact CD1-CG2 4.05Å; I154-V167 HydrophobicContact CG1-CG1 3.84Å; I154-V167 HydrophobicContact CG1-CG2 4.02Å; I154-V167 WeakPolarHBondContact O-CG1 3.41Å; R159-V167 HydrophobicContact CB-CG2 4.12Å; H162-V167 HydrophobicContact CB-CG2 4.12Å; K163-V167 PolarHBondContact O-N 2.88Å; R164-V167 PolarHBondContact O-N 3.1Å
168	L	96.9	Very high	93.1	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.267	24%	0.236	S	C	.	.			trans	-112.6	119.9	172.4	-59.5	-178.1	0	0	0	109.1	P152 F153 I154 V181	P152-L168 HydrophobicContact CB-CD1 4.5Å; P152-L168 HydrophobicContact CB-CG 4.22Å; P152-L168 HydrophobicContact CG-CD1 3.92Å; P152-L168 HydrophobicContact CG-CG 4.18Å; P152-L168 PolarHBondContact O-N 2.73Å; F153-L168 WeakPolarHBondContact CA-O 3.48Å; F153-L168 HydrophobicContact CD1-CB 3.84Å; F153-L168 HydrophobicContact CD1-CD1 4.28Å; F153-L168 HydrophobicContact CE1-CB 4.02Å; F153-L168 HydrophobicContact CE1-CD1 3.7Å; F153-L168 HydrophobicContact CZ-CD1 3.94Å; I154-L168 PolarHBondContact N-O 2.85Å; L168-V181 HydrophobicContact CD1-CG2 3.57Å
169	D	92.3	Very high	93.3	Very high	97 Å²	97	49.9 Å²	49.9	52%	0.519	25%	0.246	S	C	.	.			trans	-96.3	10.9	-175.7	59.4	-11.4	0	0	0	113.7	L198 P199	D169-L198 WeakPolarHBondContact O-CD2 3.26Å; D169-P199 VanDerWaalsContact O-CD 3.31Å; D169-P199 WeakPolarHBondContact O-CD 3.39Å
170	E	94	Very high	93.6	Very high	81 Å²	81	55.3 Å²	55.3	38%	0.379	27%	0.266	S	S	.	.			trans	-155.1	155.8	173.8	56.8	167.6	-146.5	0	0	112.9	T172 P199	E170-T172 PolarHBondContact OE1-OG1 3.47Å; E170-P199 HydrophobicContact CB-CB 4.14Å; E170-P199 HydrophobicContact CB-CG 4.08Å
171	F	97.1	Very high	94.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.			trans	-99.7	76	165.1	-61.9	-94.1	0	0	0	108.5	F153 N173 G174 S177 I178 L194 L198 P199 N200 A201 V204	F153-F171 HydrophobicContact CB-CE1 3.6Å; F153-F171 HydrophobicContact CB-CE2 3.78Å; F153-F171 HydrophobicContact CB-CZ 3.17Å; F153-F171 AromaticContact CD1-CD1 3.57Å; F153-F171 HydrophobicContact CD1-CD1 3.57Å; F153-F171 HydrophobicContact CD1-CD2 4.31Å; F153-F171 AromaticContact CD1-CE1 3.42Å; F153-F171 HydrophobicContact CD1-CE1 3.42Å; F153-F171 VanDerWaalsContact CD1-CE1 3.42Å; F153-F171 HydrophobicContact CD1-CE2 4.19Å; F153-F171 HydrophobicContact CD1-CG 4.03Å; F153-F171 AromaticContact CD1-CZ 3.78Å; F153-F171 HydrophobicContact CD1-CZ 3.78Å; F153-F171 HydrophobicContact CD2-CD1 4.23Å; F153-F171 AromaticContact CD2-CE1 3.45Å; F153-F171 HydrophobicContact CD2-CE1 3.45Å; F153-F171 VanDerWaalsContact CD2-CE1 3.45Å; F153-F171 AromaticContact CD2-CZ 3.97Å; F153-F171 HydrophobicContact CD2-CZ 3.97Å; F153-F171 AromaticContact CE1-CD1 3.66Å; F153-F171 HydrophobicContact CE1-CD1 3.66Å; F153-F171 AromaticContact CE1-CE1 3.86Å; F153-F171 HydrophobicContact CE1-CE1 3.86Å; F153-F171 HydrophobicContact CE1-CG 4.27Å; F153-F171 HydrophobicContact CE2-CD1 4.32Å; F153-F171 AromaticContact CE2-CE1 3.9Å; F153-F171 HydrophobicContact CE2-CE1 3.9Å; F153-F171 AromaticContact CG-CD1 3.86Å; F153-F171 HydrophobicContact CG-CD1 3.86Å; F153-F171 AromaticContact CG-CE1 3.18Å; F153-F171 HydrophobicContact CG-CE1 3.18Å; F153-F171 HydrophobicContact CG-CE2 4.14Å; F153-F171 AromaticContact CG-CZ 3.38Å; F153-F171 HydrophobicContact CG-CZ 3.38Å; F153-F171 HydrophobicContact CZ-CD1 4.04Å; F153-F171 HydrophobicContact CZ-CE1 4.07Å; F171-N173 PolarHBondContact O-N 3.03Å; F171-G174 PolarHBondContact O-N 3.49Å; F171-S177 WeakPolarHBondContact CA-OG 3.36Å; F171-I178 HydrophobicContact CD1-CD1 4.38Å; F171-I178 HydrophobicContact CE1-CD1 3.76Å; F171-I178 HydrophobicContact CE1-CG1 4.46Å; F171-L194 HydrophobicContact CZ-CB 4.29Å; F171-L194 HydrophobicContact CZ-CD2 4.07Å; F171-L198 HydrophobicContact CD2-CB 4.3Å; F171-L198 HydrophobicContact CE2-CB 4.25Å; F171-L198 HydrophobicContact CE2-CD1 4.26Å; F171-P199 WeakPolarHBondContact CD2-O 3.35Å; F171-P199 PolarHBondContact N-O 2.81Å; F171-P199 VanDerWaalsContact N-O 3.16Å; F171-N200 HydrophobicContact CB-CB 4.07Å; F171-N200 PolarHBondContact O-ND2 3.23Å; F171-A201 HydrophobicContact CD2-CB 3.98Å; F171-A201 HydrophobicContact CE2-CB 3.7Å; F171-V204 HydrophobicContact CB-CG2 3.96Å; F171-V204 HydrophobicContact CD1-CB 4.17Å; F171-V204 HydrophobicContact CD1-CG1 3.91Å; F171-V204 HydrophobicContact CD1-CG2 3.73Å; F171-V204 HydrophobicContact CE1-CB 4.27Å; F171-V204 HydrophobicContact CE1-CG1 3.69Å; F171-V204 HydrophobicContact CE1-CG2 4.32Å; F171-V204 HydrophobicContact CG-CB 4.45Å; F171-V204 HydrophobicContact CG-CG2 3.84Å; F171-V204 HydrophobicContact CZ-CG1 4.23Å
172	T	92.6	Very high	94.7	Very high	63 Å²	63	53.7 Å²	53.7	39%	0.387	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-40	-170.9	-43	0	0	0	0	113.5	E170 S177	E170-T172 PolarHBondContact OE1-OG1 3.47Å; T172-S177 PolarHBondContact N-OG 3Å
173	N	92.7	Very high	95	Very high	102 Å²	102	54.2 Å²	54.2	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	37.7	178.8	-68.4	-4.6	0	0	0	112.7	F171 Y175 E176 S177	F171-N173 PolarHBondContact O-N 3.03Å; N173-Y175 PolarHBondContact O-N 2.68Å; N173-E176 HydrophobicContact CB-CB 3.89Å; N173-E176 HydrophobicContact CB-CG 4.49Å; N173-E176 WeakPolarHBondContact CB-OE2 3.28Å; N173-E176 PolarHBondContact ND2-OE2 3.05Å; N173-E176 VanDerWaalsContact ND2-OE2 3.15Å; N173-E176 PolarHBondContact O-N 2.83Å; N173-S177 PolarHBondContact N-OG 3.03Å
174	G	96.3	Very high	95.1	Very high	4 Å²	4	55.8 Å²	55.8	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-130.3	-178	0	0	0	0	0	111.3	F171 E176 S177	F171-G174 PolarHBondContact O-N 3.49Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.76Å; G174-S177 WeakPolarHBondContact O-CB 3.42Å; G174-S177 PolarHBondContact O-N 3.11Å; G174-S177 PolarHBondContact O-OG 2.8Å
175	Y	96.5	Very high	95	Very high	12 Å²	12	58.5 Å²	58.5	5%	0.047	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.1	-175.2	-172.2	-91.9	0	0	0	114	N173 S177 I178 E179 E207 L208 R211	N173-Y175 PolarHBondContact O-N 2.68Å; Y175-S177 PolarHBondContact O-N 3.36Å; Y175-I178 HydrophobicContact CD2-CB 4.21Å; Y175-I178 HydrophobicContact CD2-CG1 4.02Å; Y175-I178 HydrophobicContact CE2-CB 4.16Å; Y175-I178 HydrophobicContact CE2-CG1 4.23Å; Y175-I178 HydrophobicContact CE2-CG2 4Å; Y175-I178 HydrophobicContact CG-CB 4.48Å; Y175-I178 WeakPolarHBondContact O-CA 3.21Å; Y175-I178 VanDerWaalsContact O-CB 3.25Å; Y175-I178 WeakPolarHBondContact O-CB 3.31Å; Y175-I178 PolarHBondContact O-N 2.84Å; Y175-E179 HydrophobicContact CD1-CG 4.07Å; Y175-E179 HydrophobicContact CE1-CG 3.73Å; Y175-E179 PolarHBondContact O-N 3.21Å; Y175-E207 WeakPolarHBondContact CB-OE2 3.42Å; Y175-E207 HydrophobicContact CD1-CG 4.42Å; Y175-E207 WeakPolarHBondContact CD1-OE1 3.48Å; Y175-E207 HydrophobicContact CD2-CB 3.82Å; Y175-E207 HydrophobicContact CD2-CG 3.55Å; Y175-E207 HydrophobicContact CE2-CB 4.48Å; Y175-E207 HydrophobicContact CE2-CG 3.99Å; Y175-E207 HydrophobicContact CG-CB 4.32Å; Y175-E207 HydrophobicContact CG-CG 3.8Å; Y175-E207 VanDerWaalsContact CG-OE1 3.24Å; Y175-L208 HydrophobicContact CE2-CD2 3.8Å; Y175-L208 HydrophobicContact CE2-CG 4.16Å; Y175-R211 WeakPolarHBondContact OH-CD 3.13Å
176	E	96.9	Very high	94.9	Very high	118 Å²	118	52.6 Å²	52.6	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-58.3	-24.3	172.3	-65.5	-175.4	169.7	0	0	111.8	N173 G174 I178 E179 R180	N173-E176 HydrophobicContact CB-CB 3.89Å; N173-E176 HydrophobicContact CB-CG 4.49Å; N173-E176 WeakPolarHBondContact CB-OE2 3.28Å; N173-E176 PolarHBondContact ND2-OE2 3.05Å; N173-E176 VanDerWaalsContact ND2-OE2 3.15Å; N173-E176 PolarHBondContact O-N 2.83Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.76Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-E179 PolarHBondContact O-N 2.67Å; E176-R180 VanDerWaalsContact O-CB 3.27Å; E176-R180 WeakPolarHBondContact O-CB 3.36Å; E176-R180 PolarHBondContact O-N 3.36Å
177	S	97.2	Very high	94.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-38.6	173.3	-41.5	0	0	0	0	111.6	F153 F171 T172 N173 G174 Y175 R180 V181	F153-S177 WeakPolarHBondContact CZ-O 3.33Å; F171-S177 WeakPolarHBondContact CA-OG 3.36Å; T172-S177 PolarHBondContact N-OG 3Å; N173-S177 PolarHBondContact N-OG 3.03Å; G174-S177 WeakPolarHBondContact O-CB 3.42Å; G174-S177 PolarHBondContact O-N 3.11Å; G174-S177 PolarHBondContact O-OG 2.8Å; Y175-S177 PolarHBondContact O-N 3.36Å; S177-R180 PolarHBondContact O-N 2.72Å; S177-V181 WeakPolarHBondContact O-CB 3.25Å; S177-V181 VanDerWaalsContact O-CG2 3.32Å; S177-V181 WeakPolarHBondContact O-CG2 3.25Å; S177-V181 PolarHBondContact O-N 3.07Å
178	I	97.7	Very high	94.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-50.5	174.2	-61.4	-65.7	0	0	0	109.2	F153 F171 Y175 E176 R180 V181 Y182 I192 V204 L208	F153-I178 HydrophobicContact CD2-CD1 4.1Å; F153-I178 HydrophobicContact CE2-CD1 3.84Å; F171-I178 HydrophobicContact CD1-CD1 4.38Å; F171-I178 HydrophobicContact CE1-CD1 3.76Å; F171-I178 HydrophobicContact CE1-CG1 4.46Å; Y175-I178 HydrophobicContact CD2-CB 4.21Å; Y175-I178 HydrophobicContact CD2-CG1 4.02Å; Y175-I178 HydrophobicContact CE2-CB 4.16Å; Y175-I178 HydrophobicContact CE2-CG1 4.23Å; Y175-I178 HydrophobicContact CE2-CG2 4Å; Y175-I178 HydrophobicContact CG-CB 4.48Å; Y175-I178 WeakPolarHBondContact O-CA 3.21Å; Y175-I178 VanDerWaalsContact O-CB 3.25Å; Y175-I178 WeakPolarHBondContact O-CB 3.31Å; Y175-I178 PolarHBondContact O-N 2.84Å; E176-I178 VanDerWaalsContact C-N 3.34Å; I178-R180 VanDerWaalsContact C-N 3.31Å; I178-R180 PolarHBondContact O-N 2.7Å; I178-V181 PolarHBondContact O-N 3.48Å; I178-Y182 HydrophobicContact CB-CD2 4.48Å; I178-Y182 HydrophobicContact CD1-CD2 4.5Å; I178-Y182 HydrophobicContact CD1-CE2 3.98Å; I178-Y182 HydrophobicContact CG2-CD2 3.76Å; I178-Y182 HydrophobicContact CG2-CE2 4.25Å; I178-Y182 WeakPolarHBondContact O-CD2 3.28Å; I178-Y182 PolarHBondContact O-N 3.47Å; I178-I192 HydrophobicContact CD1-CD1 4.41Å; I178-V204 HydrophobicContact CD1-CG1 3.85Å; I178-V204 HydrophobicContact CG1-CG1 3.64Å; I178-L208 HydrophobicContact CD1-CD1 4.25Å; I178-L208 HydrophobicContact CD1-CD2 4.49Å; I178-L208 HydrophobicContact CG1-CD2 4.43Å; I178-L208 HydrophobicContact CG2-CD2 4.24Å
179	E	96.5	Very high	94.5	Very high	59 Å²	59	56.1 Å²	56.1	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-36.9	179.7	-63.3	-166	152.6	0	0	112.6	Y175 E176 V181 G183 K184	Y175-E179 HydrophobicContact CD1-CG 4.07Å; Y175-E179 HydrophobicContact CE1-CG 3.73Å; Y175-E179 PolarHBondContact O-N 3.21Å; E176-E179 PolarHBondContact O-N 2.67Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-G183 CarbonylContact O-C 3.42Å; E179-G183 WeakPolarHBondContact O-CA 3.27Å; E179-G183 PolarHBondContact O-N 2.99Å; E179-K184 HydrophobicContact CB-CG 4.47Å
180	R	96.4	Very high	94.7	Very high	125 Å²	125	55.2 Å²	55.2	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-39.7	175.9	-178.9	-175.6	66.8	178.3	-1.6	111.7	Q125 E176 S177 I178	Q125-R180 PolarHBondContact NE2-O 3.33Å; E176-R180 VanDerWaalsContact O-CB 3.27Å; E176-R180 WeakPolarHBondContact O-CB 3.36Å; E176-R180 PolarHBondContact O-N 3.36Å; S177-R180 PolarHBondContact O-N 2.72Å; I178-R180 VanDerWaalsContact C-N 3.31Å; I178-R180 PolarHBondContact O-N 2.7Å
181	V	97.2	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-81.5	-54.5	-175.8	171.2	0	0	0	0	111.3	P121 Y124 P152 F153 L168 S177 I178 E179	P121-V181 WeakPolarHBondContact CA-O 3.28Å; P121-V181 HydrophobicContact CG-CG2 4.43Å; Y124-V181 HydrophobicContact CD2-CG1 3.69Å; Y124-V181 HydrophobicContact CE2-CG1 3.94Å; P152-V181 HydrophobicContact CG-CG1 3.67Å; P152-V181 HydrophobicContact CG-CG2 4.46Å; F153-V181 HydrophobicContact CE1-CG2 4.49Å; F153-V181 HydrophobicContact CE2-CB 4.12Å; F153-V181 HydrophobicContact CE2-CG1 4.38Å; F153-V181 HydrophobicContact CE2-CG2 3.93Å; F153-V181 HydrophobicContact CZ-CB 4.18Å; F153-V181 HydrophobicContact CZ-CG2 3.54Å; L168-V181 HydrophobicContact CD1-CG2 3.57Å; S177-V181 WeakPolarHBondContact O-CB 3.25Å; S177-V181 VanDerWaalsContact O-CG2 3.32Å; S177-V181 WeakPolarHBondContact O-CG2 3.25Å; S177-V181 PolarHBondContact O-N 3.07Å; I178-V181 PolarHBondContact O-N 3.48Å; E179-V181 VanDerWaalsContact C-N 3.34Å
182	Y	96.8	Very high	94.9	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-93.6	-11.5	-174	-52.2	-66.1	0	0	0	113.5	Y124 L128 M149 G151 P152 F153 I178 I189 I192	Y124-Y182 AromaticContact CD1-CD1 3.81Å; Y124-Y182 HydrophobicContact CD1-CD1 3.81Å; Y124-Y182 AromaticContact CD1-CE1 3.85Å; Y124-Y182 HydrophobicContact CD1-CE1 3.85Å; Y124-Y182 HydrophobicContact CD2-CD1 4.12Å; Y124-Y182 HydrophobicContact CD2-CE1 4.12Å; Y124-Y182 HydrophobicContact CE1-CD1 4.27Å; Y124-Y182 AromaticContact CE1-CE1 3.82Å; Y124-Y182 HydrophobicContact CE1-CE1 3.82Å; Y124-Y182 HydrophobicContact CE2-CE1 4.08Å; Y124-Y182 AromaticContact CG-CD1 3.72Å; Y124-Y182 HydrophobicContact CG-CD1 3.72Å; Y124-Y182 HydrophobicContact CG-CE1 4Å; Y124-Y182 AromaticContact CZ-CE1 3.93Å; L128-Y182 WeakPolarHBondContact CD1-O 3.42Å; M149-Y182 HydrophobicContact CB-CE1 3.68Å; M149-Y182 HydrophobicContact CG-CD1 4.02Å; M149-Y182 HydrophobicContact CG-CE1 3.68Å; M149-Y182 HydrophobicContact SD-CD1 4.3Å; M149-Y182 HydrophobicContact SD-CE1 4.16Å; G151-Y182 PolarHBondContact O-OH 2.89Å; P152-Y182 VanDerWaalsContact CD-OH 3.25Å; P152-Y182 WeakPolarHBondContact CD-OH 3.46Å; F153-Y182 HydrophobicContact CE2-CE2 4.17Å; I178-Y182 HydrophobicContact CB-CD2 4.48Å; I178-Y182 HydrophobicContact CD1-CD2 4.5Å; I178-Y182 HydrophobicContact CD1-CE2 3.98Å; I178-Y182 HydrophobicContact CG2-CD2 3.76Å; I178-Y182 HydrophobicContact CG2-CE2 4.25Å; I178-Y182 WeakPolarHBondContact O-CD2 3.28Å; I178-Y182 PolarHBondContact O-N 3.47Å; Y182-I189 HydrophobicContact CD1-CD1 4.4Å; Y182-I189 HydrophobicContact CD2-CD1 4.36Å; Y182-I189 HydrophobicContact CG-CD1 3.97Å; Y182-I192 HydrophobicContact CD2-CD1 4.4Å; Y182-I192 HydrophobicContact CE2-CD1 3.85Å
183	G	94.9	Very high	95.2	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	23%	0.231	C	C	.	.			trans	89.1	172.9	-169.7	0	0	0	0	0	112.2	E179	E179-G183 CarbonylContact O-C 3.42Å; E179-G183 WeakPolarHBondContact O-CA 3.27Å; E179-G183 PolarHBondContact O-N 2.99Å
184	K	91.7	Very high	95.5	Very high	158 Å²	158	43.9 Å²	43.9	69%	0.687	21%	0.205	S	C	*	.	S	Bend	trans	-76.7	-22.7	-178.3	-65.5	-171.1	173.6	-170.2	0	113.8	E179 T186	E179-K184 HydrophobicContact CB-CG 4.47Å; K184-T186 PolarHBondContact O-N 3.03Å
185	H	87	Confident	95.6	Very high	151 Å²	151	43.7 Å²	43.7	70%	0.699	20%	0.203	S	C	*	.			trans	-92.5	97.8	179.4	-61.7	-65.8	0	0	0	109.1
186	T	91	Very high	95.7	Very high	15 Å²	15	43.3 Å²	43.3	9%	0.092	20%	0.202	C	C	.	.			trans	-110.6	10.9	-177.1	51.8	0	0	0	0	112.5	K184 D188 I189	K184-T186 PolarHBondContact O-N 3.03Å; T186-D188 PolarHBondContact O-N 3.48Å; T186-I189 HydrophobicContact CG2-CD1 3.84Å; T186-I189 WeakPolarHBondContact O-CB 3.2Å; T186-I189 PolarHBondContact O-N 2.62Å
187	D	90.3	Very high	95.8	Very high	136 Å²	136	40.3 Å²	40.3	73%	0.727	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.5	-174.5	-56.6	-52.1	0	0	0	113.1	I189	D187-I189 VanDerWaalsContact C-N 3.34Å
188	D	92.4	Very high	95.8	Very high	33 Å²	33	41 Å²	41	18%	0.176	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.3	178	-63.5	-47.3	0	0	0	113.1	L128 Y131 G146 F147 T186	L128-D188 HydrophobicContact CD2-CB 4.22Å; Y131-D188 HydrophobicContact CD1-CB 3.8Å; Y131-D188 HydrophobicContact CE1-CB 4.02Å; G146-D188 CarbonylContact C-O 3.58Å; G146-D188 VanDerWaalsContact CA-O 3.28Å; G146-D188 WeakPolarHBondContact CA-O 3.47Å; F147-D188 HydrophobicContact CD2-CB 4.24Å; F147-D188 PolarHBondContact N-O 2.8Å; T186-D188 PolarHBondContact O-N 3.48Å
189	I	96.2	Very high	95.8	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.3	176.2	-56.2	177.9	0	0	0	108.7	L128 M149 Y182 T186 D187 I192 I213	L128-I189 HydrophobicContact CD1-CD1 3.95Å; L128-I189 HydrophobicContact CD1-CG1 4.25Å; L128-I189 HydrophobicContact CD2-CD1 4.47Å; L128-I189 HydrophobicContact CD2-CG1 3.86Å; M149-I189 HydrophobicContact CE-CD1 4.18Å; M149-I189 HydrophobicContact CE-CG1 3.91Å; M149-I189 HydrophobicContact CG-CD1 4.06Å; M149-I189 HydrophobicContact CG-CG1 4.21Å; M149-I189 HydrophobicContact CG-CG2 3.92Å; Y182-I189 HydrophobicContact CD1-CD1 4.4Å; Y182-I189 HydrophobicContact CD2-CD1 4.36Å; Y182-I189 HydrophobicContact CG-CD1 3.97Å; T186-I189 HydrophobicContact CG2-CD1 3.84Å; T186-I189 WeakPolarHBondContact O-CB 3.2Å; T186-I189 PolarHBondContact O-N 2.62Å; D187-I189 VanDerWaalsContact C-N 3.34Å; I189-I192 HydrophobicContact CG2-CD1 4.19Å; I189-I192 HydrophobicContact CG2-CG1 3.72Å; I189-I213 HydrophobicContact CG2-CG2 4.13Å
190	R	96.5	Very high	95.9	Very high	78 Å²	78	45.2 Å²	45.2	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-40.2	177.6	-166.7	61.4	178.3	178.8	-2.3	112.4	F147 L214 L367	F147-R190 PolarHBondContact O-N 3.04Å; R190-L214 WeakPolarHBondContact O-CB 3.42Å; R190-L214 PolarHBondContact O-N 3.06Å; R190-L367 HydrophobicContact CG-CD2 3.6Å; R190-L367 PolarHBondContact NH2-O 3.13Å
191	M	98.4	Very high	96	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.3	-178.7	66.9	179.4	-73.5	0	0	113.1	L76 F147 H148 M149 L214 F366	L76-M191 HydrophobicContact CB-SD 4.4Å; F147-M191 PolarHBondContact O-N 3.07Å; H148-M191 CarbonylContact C-O 3.44Å; H148-M191 WeakPolarHBondContact CA-O 3.22Å; H148-M191 HydrophobicContact CB-CG 3.55Å; H148-M191 HydrophobicContact CB-SD 4.01Å; M149-M191 PolarHBondContact N-O 3.19Å; M191-L214 CarbonylContact C-O 3.53Å; M191-L214 WeakPolarHBondContact CA-O 3.5Å; M191-L214 HydrophobicContact CB-CB 3.81Å; M191-L214 WeakPolarHBondContact CB-O 3.42Å; M191-F366 HydrophobicContact CE-CE1 4.29Å; M191-F366 HydrophobicContact SD-CE1 4.16Å
192	I	98.7	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.2	174.7	-57.2	-174.9	0	0	0	109.1	M149 I178 Y182 I189 L194 L208 I213 L214 S216	M149-I192 HydrophobicContact CB-CG1 4.2Å; M149-I192 CarbonylContact O-C 3.28Å; M149-I192 VanDerWaalsContact O-CA 3.32Å; M149-I192 WeakPolarHBondContact O-CA 3.33Å; I178-I192 HydrophobicContact CD1-CD1 4.41Å; Y182-I192 HydrophobicContact CD2-CD1 4.4Å; Y182-I192 HydrophobicContact CE2-CD1 3.85Å; I189-I192 HydrophobicContact CG2-CD1 4.19Å; I189-I192 HydrophobicContact CG2-CG1 3.72Å; I192-L194 HydrophobicContact CG2-CD2 4.35Å; I192-L208 HydrophobicContact CD1-CD1 4.18Å; I192-L208 HydrophobicContact CD1-CD2 3.69Å; I192-I213 HydrophobicContact CD1-CG2 4.05Å; I192-I213 HydrophobicContact CG1-CG2 3.79Å; I192-L214 PolarHBondContact N-O 3.06Å; I192-S216 PolarHBondContact O-N 3.34Å
193	T	98.8	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.6	165	-62.6	0	0	0	0	109.8	H148 M149 E150 G151 S216 Y219 T239	H148-T193 PolarHBondContact NE2-OG1 3.04Å; M149-T193 PolarHBondContact O-N 2.86Å; E150-T193 HydrophobicContact CG-CG2 4.35Å; G151-T193 PolarHBondContact N-O 2.87Å; T193-S216 VanDerWaalsContact CA-O 3.27Å; T193-S216 WeakPolarHBondContact CA-O 3.23Å; T193-Y219 HydrophobicContact CG2-CD2 4.05Å; T193-T239 HydrophobicContact CG2-CG2 4.13Å; T193-T239 WeakPolarHBondContact CG2-OG1 3.25Å; T193-T239 PolarHBondContact OG1-OG1 3.39Å
194	L	98.7	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.4	177.5	62.1	81.9	0	0	0	112.3	F153 F171 I192 I205 L208 V215 S216 G218	F153-L194 HydrophobicContact CB-CB 4.32Å; F153-L194 CarbonylContact O-C 3.59Å; F153-L194 VanDerWaalsContact O-CA 3.23Å; F153-L194 WeakPolarHBondContact O-CA 3.45Å; F153-L194 WeakPolarHBondContact O-CB 3.21Å; F171-L194 HydrophobicContact CZ-CB 4.29Å; F171-L194 HydrophobicContact CZ-CD2 4.07Å; I192-L194 HydrophobicContact CG2-CD2 4.35Å; L194-I205 HydrophobicContact CD1-CD1 3.75Å; L194-I205 HydrophobicContact CD1-CG1 3.78Å; L194-I205 HydrophobicContact CD2-CG1 4.18Å; L194-L208 HydrophobicContact CD2-CD1 3.88Å; L194-V215 HydrophobicContact CD1-CG1 4.27Å; L194-V215 HydrophobicContact CD2-CG1 4.08Å; L194-V215 HydrophobicContact CG-CG1 4.05Å; L194-S216 PolarHBondContact N-O 3.43Å; L194-G218 CarbonylContact C-O 3.46Å; L194-G218 PolarHBondContact O-N 3.09Å
195	A	98.5	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-90.7	117.7	173.7	0	0	0	0	0	110.7	F153 E197 L198	F153-A195 PolarHBondContact O-N 3.41Å; A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 WeakPolarHBondContact CB-OE2 3.15Å; A195-E197 PolarHBondContact O-N 3.28Å; A195-L198 HydrophobicContact CB-CD1 4.09Å; A195-L198 HydrophobicContact CB-CD2 4.21Å; A195-L198 HydrophobicContact CB-CG 3.83Å; A195-L198 WeakPolarHBondContact O-CG 3.42Å; A195-L198 PolarHBondContact O-N 3.21Å
196	P	98.5	Very high	97.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.019	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12	-174.2	30.4	-37.1	0	0	0	114.5	L198 I205 L217 S220 A222 V226 A230	P196-L198 VanDerWaalsContact C-N 3.34Å; P196-I205 HydrophobicContact CB-CD1 4.09Å; P196-L217 HydrophobicContact CB-CD2 3.95Å; P196-L217 HydrophobicContact CG-CD1 4.28Å; P196-L217 HydrophobicContact CG-CD2 3.91Å; P196-S220 WeakPolarHBondContact CD-OG 3.49Å; P196-A222 HydrophobicContact CG-CB 3.77Å; P196-V226 HydrophobicContact CB-CG1 4.2Å; P196-V226 HydrophobicContact CG-CG1 4.39Å; P196-V226 WeakPolarHBondContact O-CG1 3.48Å; P196-A230 HydrophobicContact CB-CB 3.6Å; P196-A230 HydrophobicContact CG-CB 4.43Å
197	E	97.9	Very high	97.6	Very high	56 Å²	56	38.5 Å²	38.5	26%	0.262	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.4	176.6	73.3	-82.8	-157.5	0	0	114	S155 A195 S220 N221 A222 V226	S155-E197 WeakPolarHBondContact CB-OE1 3.43Å; A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 WeakPolarHBondContact CB-OE2 3.15Å; A195-E197 PolarHBondContact O-N 3.28Å; E197-S220 WeakPolarHBondContact OE1-CA 3.29Å; E197-S220 PolarHBondContact OE1-OG 2.81Å; E197-S220 WeakPolarHBondContact OE2-CB 3Å; E197-S220 PolarHBondContact OE2-OG 3.13Å; E197-N221 PolarHBondContact OE1-N 3.15Å; E197-A222 HydrophobicContact CB-CB 4.03Å; E197-A222 WeakPolarHBondContact OE2-CB 3.48Å; E197-V226 HydrophobicContact CB-CG1 4.25Å
198	L	98.2	Very high	97.9	Very high	16 Å²	16	32 Å²	32	8%	0.084	16%	0.157	C	C	.	.	S	Bend	trans	-66.6	148.8	-179.6	-55.5	-175.6	0	0	0	111	F153 D169 F171 A195 P196 N200 A201	F153-L198 VanDerWaalsContact C-CD1 3.42Å; F153-L198 HydrophobicContact CB-CD1 4.22Å; F153-L198 WeakPolarHBondContact O-CD1 3.45Å; D169-L198 WeakPolarHBondContact O-CD2 3.26Å; F171-L198 HydrophobicContact CD2-CB 4.3Å; F171-L198 HydrophobicContact CE2-CB 4.25Å; F171-L198 HydrophobicContact CE2-CD1 4.26Å; A195-L198 HydrophobicContact CB-CD1 4.09Å; A195-L198 HydrophobicContact CB-CD2 4.21Å; A195-L198 HydrophobicContact CB-CG 3.83Å; A195-L198 WeakPolarHBondContact O-CG 3.42Å; A195-L198 PolarHBondContact O-N 3.21Å; P196-L198 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.48Å; L198-A201 HydrophobicContact CB-CB 4.26Å; L198-A201 WeakPolarHBondContact O-CB 3.41Å; L198-A201 PolarHBondContact O-N 2.79Å
199	P	98.1	Very high	98.2	Very high	69 Å²	69	32.1 Å²	32.1	45%	0.448	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	133.7	173.5	-26.9	35.5	0	0	0	112	D169 E170 F171 A201	D169-P199 VanDerWaalsContact O-CD 3.31Å; D169-P199 WeakPolarHBondContact O-CD 3.39Å; E170-P199 HydrophobicContact CB-CB 4.14Å; E170-P199 HydrophobicContact CB-CG 4.08Å; F171-P199 WeakPolarHBondContact CD2-O 3.35Å; F171-P199 PolarHBondContact N-O 2.81Å; F171-P199 VanDerWaalsContact N-O 3.16Å; P199-A201 PolarHBondContact O-N 3.45Å; P199-A201 VanDerWaalsContact O-N 3.12Å
200	N	98.1	Very high	98.2	Very high	78 Å²	78	37.8 Å²	37.8	42%	0.417	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	4	-177.2	-49.9	-38.5	0	0	0	116.3	F171 L198 L202 E203 V204	F171-N200 HydrophobicContact CB-CB 4.07Å; F171-N200 PolarHBondContact O-ND2 3.23Å; L198-N200 PolarHBondContact O-N 3.48Å; N200-L202 VanDerWaalsContact C-N 3.33Å; N200-L202 PolarHBondContact O-N 3.42Å; N200-E203 PolarHBondContact O-N 3.12Å; N200-V204 WeakPolarHBondContact O-CG2 3.13Å; N200-V204 PolarHBondContact O-N 3.47Å
201	A	98.6	Very high	98.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-41.8	-178.1	0	0	0	0	0	112.9	F171 L198 P199 E203 V204 I205	F171-A201 HydrophobicContact CD2-CB 3.98Å; F171-A201 HydrophobicContact CE2-CB 3.7Å; L198-A201 HydrophobicContact CB-CB 4.26Å; L198-A201 WeakPolarHBondContact O-CB 3.41Å; L198-A201 PolarHBondContact O-N 2.79Å; P199-A201 PolarHBondContact O-N 3.45Å; P199-A201 VanDerWaalsContact O-N 3.12Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 2.94Å; A201-V204 PolarHBondContact O-N 3.36Å; A201-V204 VanDerWaalsContact O-N 3.15Å; A201-I205 WeakPolarHBondContact O-CG1 3.24Å; A201-I205 PolarHBondContact O-N 3.09Å
202	L	98.5	Very high	98.1	Very high	53 Å²	53	45.4 Å²	45.4	28%	0.277	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-37.8	-177.3	-65.1	-177.1	0	0	0	113.4	N200 I205 K206 K229 A230 M233	N200-L202 VanDerWaalsContact C-N 3.33Å; N200-L202 PolarHBondContact O-N 3.42Å; L202-I205 HydrophobicContact CD2-CD1 4.43Å; L202-K206 PolarHBondContact O-N 3.37Å; L202-K229 HydrophobicContact CD1-CB 3.89Å; L202-K229 HydrophobicContact CD1-CD 4.09Å; L202-K229 HydrophobicContact CD2-CB 4.01Å; L202-A230 HydrophobicContact CD2-CB 4Å; L202-M233 HydrophobicContact CB-CG 4.15Å; L202-M233 HydrophobicContact CD2-CG 4.47Å; L202-M233 WeakPolarHBondContact O-CB 3.35Å; L202-M233 WeakPolarHBondContact O-CG 3.13Å
203	E	98.2	Very high	98.1	Very high	122 Å²	122	45.8 Å²	45.8	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-67.6	-44.9	174.9	179.7	177.7	-175.4	0	0	110.6	N200 A201 I205 K206 E207	N200-E203 PolarHBondContact O-N 3.12Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 2.94Å; E203-I205 VanDerWaalsContact C-N 3.34Å; E203-I205 PolarHBondContact O-N 3.39Å; E203-K206 WeakPolarHBondContact O-CB 3.37Å; E203-K206 PolarHBondContact O-N 2.62Å; E203-K206 VanDerWaalsContact O-N 3.14Å; E203-E207 PolarHBondContact O-N 3.29Å
204	V	98.6	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-40.6	177.6	175.3	0	0	0	0	112.1	F171 I178 N200 A201 K206 E207 L208	F171-V204 HydrophobicContact CB-CG2 3.96Å; F171-V204 HydrophobicContact CD1-CB 4.17Å; F171-V204 HydrophobicContact CD1-CG1 3.91Å; F171-V204 HydrophobicContact CD1-CG2 3.73Å; F171-V204 HydrophobicContact CE1-CB 4.27Å; F171-V204 HydrophobicContact CE1-CG1 3.69Å; F171-V204 HydrophobicContact CE1-CG2 4.32Å; F171-V204 HydrophobicContact CG-CB 4.45Å; F171-V204 HydrophobicContact CG-CG2 3.84Å; F171-V204 HydrophobicContact CZ-CG1 4.23Å; I178-V204 HydrophobicContact CD1-CG1 3.85Å; I178-V204 HydrophobicContact CG1-CG1 3.64Å; N200-V204 WeakPolarHBondContact O-CG2 3.13Å; N200-V204 PolarHBondContact O-N 3.47Å; A201-V204 PolarHBondContact O-N 3.36Å; A201-V204 VanDerWaalsContact O-N 3.15Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 2.96Å; V204-E207 PolarHBondContact O-N 3.17Å; V204-L208 HydrophobicContact CG1-CD1 3.77Å; V204-L208 HydrophobicContact CG1-CG 4.15Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.3Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.44Å
205	I	98.8	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-42.1	176.1	-68.8	172.2	0	0	0	110.8	L194 P196 A201 L202 E203 S209 V215 L217 A230 M233 A235	L194-I205 HydrophobicContact CD1-CD1 3.75Å; L194-I205 HydrophobicContact CD1-CG1 3.78Å; L194-I205 HydrophobicContact CD2-CG1 4.18Å; P196-I205 HydrophobicContact CB-CD1 4.09Å; A201-I205 WeakPolarHBondContact O-CG1 3.24Å; A201-I205 PolarHBondContact O-N 3.09Å; L202-I205 HydrophobicContact CD2-CD1 4.43Å; E203-I205 VanDerWaalsContact C-N 3.34Å; E203-I205 PolarHBondContact O-N 3.39Å; I205-S209 WeakPolarHBondContact O-CB 3.4Å; I205-S209 PolarHBondContact O-N 3.18Å; I205-V215 HydrophobicContact CD1-CG1 4.43Å; I205-V215 HydrophobicContact CG1-CG1 3.98Å; I205-V215 HydrophobicContact CG2-CB 4.36Å; I205-V215 HydrophobicContact CG2-CG1 4.16Å; I205-V215 HydrophobicContact CG2-CG2 4.31Å; I205-L217 HydrophobicContact CD1-CD2 4.45Å; I205-A230 HydrophobicContact CD1-CB 3.65Å; I205-M233 HydrophobicContact CB-CB 4.23Å; I205-M233 HydrophobicContact CG2-CB 3.86Å; I205-A235 HydrophobicContact CG2-CB 4.02Å
206	K	98.6	Very high	98.1	Very high	100 Å²	100	46.2 Å²	46.2	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-49.1	178	-169.7	-172.4	175.4	-140.6	0	110.9	L202 E203 V204 S209 E210 M233	L202-K206 PolarHBondContact O-N 3.37Å; E203-K206 WeakPolarHBondContact O-CB 3.37Å; E203-K206 PolarHBondContact O-N 2.62Å; E203-K206 VanDerWaalsContact O-N 3.14Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 2.96Å; K206-S209 PolarHBondContact O-N 3.38Å; K206-E210 WeakPolarHBondContact CE-OE1 3.49Å; K206-E210 IonicContact NZ-OE1 3.48Å; K206-E210 PolarHBondContact NZ-OE1 3.27Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 2.97Å; K206-M233 VanDerWaalsContact CA-O 3.24Å; K206-M233 WeakPolarHBondContact CA-O 3.46Å; K206-M233 HydrophobicContact CB-CB 4.18Å; K206-M233 HydrophobicContact CB-SD 4.42Å; K206-M233 HydrophobicContact CD-SD 4.42Å
207	E	98.1	Very high	98.1	Very high	49 Å²	49	46.1 Å²	46.1	23%	0.229	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-40.3	-178.5	-171.2	166.3	168.4	0	0	112.7	Y175 E203 V204 S209 E210 R211	Y175-E207 WeakPolarHBondContact CB-OE2 3.42Å; Y175-E207 HydrophobicContact CD1-CG 4.42Å; Y175-E207 WeakPolarHBondContact CD1-OE1 3.48Å; Y175-E207 HydrophobicContact CD2-CB 3.82Å; Y175-E207 HydrophobicContact CD2-CG 3.55Å; Y175-E207 HydrophobicContact CE2-CB 4.48Å; Y175-E207 HydrophobicContact CE2-CG 3.99Å; Y175-E207 HydrophobicContact CG-CB 4.32Å; Y175-E207 HydrophobicContact CG-CG 3.8Å; Y175-E207 VanDerWaalsContact CG-OE1 3.24Å; E203-E207 PolarHBondContact O-N 3.29Å; V204-E207 PolarHBondContact O-N 3.17Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 3.06Å; E207-E210 PolarHBondContact O-N 3.3Å; E207-R211 VanDerWaalsContact O-CG 3.29Å; E207-R211 WeakPolarHBondContact O-CG 3.46Å; E207-R211 PolarHBondContact O-N 3.44Å; E207-R211 IonicContact OE1-CZ 3.76Å; E207-R211 IonicContact OE1-NE 2.68Å; E207-R211 PolarHBondContact OE1-NE 3.31Å; E207-R211 VanDerWaalsContact OE1-NE 3.16Å; E207-R211 IonicContact OE1-NH2 3.93Å; E207-R211 PolarHBondContact OE1-NH2 3.5Å
208	L	98.2	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-45	172.8	-74.9	169.6	0	0	0	111.6	Y175 I178 I192 L194 V204 R211 N212 I213 V215	Y175-L208 HydrophobicContact CE2-CD2 3.8Å; Y175-L208 HydrophobicContact CE2-CG 4.16Å; I178-L208 HydrophobicContact CD1-CD1 4.25Å; I178-L208 HydrophobicContact CD1-CD2 4.49Å; I178-L208 HydrophobicContact CG1-CD2 4.43Å; I178-L208 HydrophobicContact CG2-CD2 4.24Å; I192-L208 HydrophobicContact CD1-CD1 4.18Å; I192-L208 HydrophobicContact CD1-CD2 3.69Å; L194-L208 HydrophobicContact CD2-CD1 3.88Å; V204-L208 HydrophobicContact CG1-CD1 3.77Å; V204-L208 HydrophobicContact CG1-CG 4.15Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.3Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.44Å; L208-R211 CarbonylContact O-C 3.54Å; L208-R211 PolarHBondContact O-N 3.04Å; L208-N212 PolarHBondContact O-N 3.13Å; L208-I213 CarbonylContact C-O 3.44Å; L208-I213 HydrophobicContact CB-CB 4.41Å; L208-I213 HydrophobicContact CD2-CB 4.13Å; L208-I213 HydrophobicContact CD2-CD1 3.92Å; L208-I213 HydrophobicContact CD2-CG2 4.11Å; L208-I213 PolarHBondContact O-N 3.07Å; L208-V215 HydrophobicContact CB-CG2 3.69Å; L208-V215 HydrophobicContact CD1-CG2 3.79Å; L208-V215 HydrophobicContact CG-CG2 4.41Å
209	S	97.5	Very high	97.9	Very high	34 Å²	34	42.9 Å²	42.9	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-39.6	178.3	-174.9	0	0	0	0	112.4	I205 K206 E207 R211 N212	I205-S209 WeakPolarHBondContact O-CB 3.4Å; I205-S209 PolarHBondContact O-N 3.18Å; K206-S209 PolarHBondContact O-N 3.38Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 3.06Å; S209-R211 PolarHBondContact O-N 2.95Å; S209-N212 PolarHBondContact O-N 3.3Å; S209-N212 VanDerWaalsContact O-N 3.13Å
210	E	97.4	Very high	97.9	Very high	126 Å²	126	39.6 Å²	39.6	59%	0.589	19%	0.191	S	C	*	.	H	α-helix	trans	-65.2	-26.2	175.8	-73.9	173.7	176.5	0	0	112	K206 E207 N212	K206-E210 WeakPolarHBondContact CE-OE1 3.49Å; K206-E210 IonicContact NZ-OE1 3.48Å; K206-E210 PolarHBondContact NZ-OE1 3.27Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 2.97Å; E207-E210 PolarHBondContact O-N 3.3Å; E210-N212 VanDerWaalsContact C-N 3.32Å
211	R	96.4	Very high	97.7	Very high	118 Å²	118	38.8 Å²	38.8	45%	0.445	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	10.4	174.6	-65.4	170	-179.1	-97.3	8.8	113.8	Y175 E207 L208 S209 I213	Y175-R211 WeakPolarHBondContact OH-CD 3.13Å; E207-R211 VanDerWaalsContact O-CG 3.29Å; E207-R211 WeakPolarHBondContact O-CG 3.46Å; E207-R211 PolarHBondContact O-N 3.44Å; E207-R211 IonicContact OE1-CZ 3.76Å; E207-R211 IonicContact OE1-NE 2.68Å; E207-R211 PolarHBondContact OE1-NE 3.31Å; E207-R211 VanDerWaalsContact OE1-NE 3.16Å; E207-R211 IonicContact OE1-NH2 3.93Å; E207-R211 PolarHBondContact OE1-NH2 3.5Å; L208-R211 CarbonylContact O-C 3.54Å; L208-R211 PolarHBondContact O-N 3.04Å; S209-R211 PolarHBondContact O-N 2.95Å; R211-I213 PolarHBondContact O-N 3.02Å
212	N	96.1	Very high	97.7	Very high	129 Å²	129	38.9 Å²	38.9	69%	0.69	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	20.8	-179	-56.4	-63.4	0	0	0	115.5	L208 S209 E210	L208-N212 PolarHBondContact O-N 3.13Å; S209-N212 PolarHBondContact O-N 3.3Å; S209-N212 VanDerWaalsContact O-N 3.13Å; E210-N212 VanDerWaalsContact C-N 3.32Å
213	I	97.9	Very high	97.6	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.041	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-89.4	124.2	170.7	-60.8	174.3	0	0	0	108.3	I189 I192 L208 R211 V215	I189-I213 HydrophobicContact CG2-CG2 4.13Å; I192-I213 HydrophobicContact CD1-CG2 4.05Å; I192-I213 HydrophobicContact CG1-CG2 3.79Å; L208-I213 CarbonylContact C-O 3.44Å; L208-I213 HydrophobicContact CB-CB 4.41Å; L208-I213 HydrophobicContact CD2-CB 4.13Å; L208-I213 HydrophobicContact CD2-CD1 3.92Å; L208-I213 HydrophobicContact CD2-CG2 4.11Å; L208-I213 PolarHBondContact O-N 3.07Å; R211-I213 PolarHBondContact O-N 3.02Å; I213-V215 PolarHBondContact O-N 3.41Å
214	L	98.6	Very high	97.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.3	-179.8	-75.2	161.8	0	0	0	110.8	R190 M191 I192 F366 L367	R190-L214 WeakPolarHBondContact O-CB 3.42Å; R190-L214 PolarHBondContact O-N 3.06Å; M191-L214 CarbonylContact C-O 3.53Å; M191-L214 WeakPolarHBondContact CA-O 3.5Å; M191-L214 HydrophobicContact CB-CB 3.81Å; M191-L214 WeakPolarHBondContact CB-O 3.42Å; I192-L214 PolarHBondContact N-O 3.06Å; L214-F366 HydrophobicContact CB-CE1 4.43Å; L214-F366 HydrophobicContact CB-CZ 4.01Å; L214-F366 HydrophobicContact CD1-CD1 4.19Å; L214-F366 HydrophobicContact CD1-CE1 3.94Å; L214-F366 HydrophobicContact CD1-CZ 4.13Å; L214-F366 WeakPolarHBondContact CD1-O 3.5Å; L214-F366 HydrophobicContact CD2-CD2 4.42Å; L214-F366 HydrophobicContact CD2-CE2 3.98Å; L214-F366 HydrophobicContact CD2-CZ 4.17Å; L214-F366 HydrophobicContact CG-CZ 4.34Å; L214-L367 HydrophobicContact CD1-CD2 3.57Å
215	V	98.8	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.6	173.8	175.1	0	0	0	0	109.8	L194 I205 L208 I213 L217 A235 R236 G237	L194-V215 HydrophobicContact CD1-CG1 4.27Å; L194-V215 HydrophobicContact CD2-CG1 4.08Å; L194-V215 HydrophobicContact CG-CG1 4.05Å; I205-V215 HydrophobicContact CD1-CG1 4.43Å; I205-V215 HydrophobicContact CG1-CG1 3.98Å; I205-V215 HydrophobicContact CG2-CB 4.36Å; I205-V215 HydrophobicContact CG2-CG1 4.16Å; I205-V215 HydrophobicContact CG2-CG2 4.31Å; L208-V215 HydrophobicContact CB-CG2 3.69Å; L208-V215 HydrophobicContact CD1-CG2 3.79Å; L208-V215 HydrophobicContact CG-CG2 4.41Å; I213-V215 PolarHBondContact O-N 3.41Å; V215-L217 HydrophobicContact CG1-CD2 4.32Å; V215-A235 HydrophobicContact CB-CB 4.29Å; V215-A235 HydrophobicContact CG1-CB 3.9Å; V215-R236 PolarHBondContact O-N 2.64Å; V215-R236 VanDerWaalsContact O-N 3.07Å; V215-G237 PolarHBondContact O-N 2.99Å
216	S	98.7	Very high	97.3	Very high	3 Å²	3	40 Å²	40	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.4	171.2	-165.2	0	0	0	0	110.8	I192 T193 L194 G237 I238 T239	I192-S216 PolarHBondContact O-N 3.34Å; T193-S216 VanDerWaalsContact CA-O 3.27Å; T193-S216 WeakPolarHBondContact CA-O 3.23Å; L194-S216 PolarHBondContact N-O 3.43Å; S216-G237 CarbonylContact C-O 3.51Å; S216-G237 WeakPolarHBondContact CA-O 3.41Å; S216-G237 VanDerWaalsContact OG-C 3.27Å; S216-I238 WeakPolarHBondContact OG-CA 3.39Å; S216-I238 PolarHBondContact OG-N 3.06Å; S216-T239 VanDerWaalsContact CB-OG1 3.23Å; S216-T239 WeakPolarHBondContact CB-OG1 3.39Å; S216-T239 PolarHBondContact OG-N 3.03Å; S216-T239 PolarHBondContact OG-OG1 3.37Å
217	L	98.6	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.9	178.8	-52.2	-176.6	0	0	0	109.1	P196 I205 V215 A227 A230 A235 G237 I238 T239 V255 L258	P196-L217 HydrophobicContact CB-CD2 3.95Å; P196-L217 HydrophobicContact CG-CD1 4.28Å; P196-L217 HydrophobicContact CG-CD2 3.91Å; I205-L217 HydrophobicContact CD1-CD2 4.45Å; V215-L217 HydrophobicContact CG1-CD2 4.32Å; L217-A227 HydrophobicContact CD1-CB 4.32Å; L217-A230 HydrophobicContact CD1-CB 4.14Å; L217-A230 HydrophobicContact CD2-CB 4.02Å; L217-A235 HydrophobicContact CD1-CB 4.4Å; L217-A235 HydrophobicContact CD2-CB 3.74Å; L217-A235 HydrophobicContact CG-CB 4.09Å; L217-G237 PolarHBondContact N-O 3.3Å; L217-I238 CarbonylContact O-C 3.57Å; L217-I238 WeakPolarHBondContact O-CA 3.36Å; L217-T239 PolarHBondContact O-N 2.83Å; L217-V255 HydrophobicContact CB-CG1 3.85Å; L217-V255 HydrophobicContact CD1-CG1 4.23Å; L217-L258 HydrophobicContact CD1-CD1 3.77Å
218	G	97.4	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.			trans	-164.8	167.4	-179.9	0	0	0	0	0	111.6	L194 S220	L194-G218 CarbonylContact C-O 3.46Å; L194-G218 PolarHBondContact O-N 3.09Å; G218-S220 PolarHBondContact O-N 3.02Å
219	Y	95.9	Very high	97.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.016	20%	0.202	C	C	.	.	S	Bend	trans	50.7	47	-178.7	-62.8	-89.5	0	0	0	111.7	E150 I154 S155 K158 R159 H162 T193 H240 A244	E150-Y219 HydrophobicContact CG-CD2 4.26Å; E150-Y219 HydrophobicContact CG-CE2 3.65Å; E150-Y219 WeakPolarHBondContact OE1-CE2 3.42Å; E150-Y219 PolarHBondContact OE1-OH 2.91Å; I154-Y219 HydrophobicContact CB-CG 4.4Å; I154-Y219 HydrophobicContact CD1-CD1 4.11Å; I154-Y219 HydrophobicContact CD1-CG 3.99Å; I154-Y219 HydrophobicContact CG2-CD2 4.36Å; I154-Y219 HydrophobicContact CG2-CG 4.19Å; S155-Y219 WeakPolarHBondContact CB-O 3.43Å; S155-Y219 PolarHBondContact N-O 3.45Å; K158-Y219 WeakPolarHBondContact O-CD1 3.48Å; R159-Y219 WeakPolarHBondContact O-CD1 3.41Å; R159-Y219 WeakPolarHBondContact O-CE1 3.2Å; H162-Y219 AromaticContact CD2-CD1 3.65Å; H162-Y219 AromaticContact CD2-CE1 3.25Å; H162-Y219 WeakPolarHBondContact CD2-CE1 3.06Å; H162-Y219 AromaticContact CD2-CZ 3.57Å; H162-Y219 AromaticContact NE2-CD1 3.98Å; H162-Y219 AromaticContact NE2-CE1 3.46Å; H162-Y219 WeakPolarHBondContact NE2-CE1 3.32Å; H162-Y219 AromaticContact NE2-CE2 3.57Å; H162-Y219 AromaticContact NE2-CZ 3.23Å; T193-Y219 HydrophobicContact CG2-CD2 4.05Å; Y219-H240 AromaticContact CE2-CE1 3.48Å; Y219-H240 VanDerWaalsContact CE2-CE1 3.48Å; Y219-H240 WeakPolarHBondContact CE2-CE1 3.18Å; Y219-H240 AromaticContact CE2-NE2 3.17Å; Y219-H240 WeakPolarHBondContact CE2-NE2 3.28Å; Y219-H240 AromaticContact CZ-CE1 3.7Å; Y219-H240 AromaticContact CZ-NE2 3.18Å; Y219-H240 PolarHBondContact OH-NE2 3.35Å; Y219-A244 CarbonylContact C-O 3.49Å; Y219-A244 WeakPolarHBondContact CA-O 3.46Å; Y219-A244 HydrophobicContact CD1-CB 3.45Å; Y219-A244 VanDerWaalsContact CD1-CB 3.45Å; Y219-A244 HydrophobicContact CE1-CB 3.55Å; Y219-A244 HydrophobicContact CG-CB 4.01Å; Y219-A244 PolarHBondContact N-O 3.11Å
220	S	96.3	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-132.1	136.9	-162.9	169.4	0	0	0	0	111.8	P196 E197 G218 A222 A244 M245 K246	P196-S220 WeakPolarHBondContact CD-OG 3.49Å; E197-S220 WeakPolarHBondContact OE1-CA 3.29Å; E197-S220 PolarHBondContact OE1-OG 2.81Å; E197-S220 WeakPolarHBondContact OE2-CB 3Å; E197-S220 PolarHBondContact OE2-OG 3.13Å; G218-S220 PolarHBondContact O-N 3.02Å; S220-A222 WeakPolarHBondContact OG-CB 3.36Å; S220-A222 PolarHBondContact OG-N 3.02Å; S220-A244 PolarHBondContact N-O 3.34Å; S220-M245 CarbonylContact O-C 3.5Å; S220-M245 VanDerWaalsContact O-CA 3.3Å; S220-M245 WeakPolarHBondContact O-CA 3.14Å; S220-K246 PolarHBondContact O-N 3.42Å
221	N	95.6	Very high	97.3	Very high	62 Å²	62	32.2 Å²	32.2	33%	0.332	17%	0.165	S	C	.	.			trans	-99.7	16.7	169.4	-158.4	48.9	0	0	0	112.5	K158 E197	K158-N221 WeakPolarHBondContact CE-OD1 3.35Å; K158-N221 HydrophobicContact CG-CB 3.97Å; E197-N221 PolarHBondContact OE1-N 3.15Å
222	A	97.2	Very high	97.3	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	17%	0.173	C	C	.	.			trans	-60.8	146.2	-178.3	0	0	0	0	0	112.6	P196 E197 S220 V226 G254 V255	P196-A222 HydrophobicContact CG-CB 3.77Å; E197-A222 HydrophobicContact CB-CB 4.03Å; E197-A222 WeakPolarHBondContact OE2-CB 3.48Å; S220-A222 WeakPolarHBondContact OG-CB 3.36Å; S220-A222 PolarHBondContact OG-N 3.02Å; A222-V226 HydrophobicContact CB-CB 4.16Å; A222-V226 HydrophobicContact CB-CG1 4.07Å; A222-G254 VanDerWaalsContact O-CA 3.26Å; A222-G254 WeakPolarHBondContact O-CA 3.24Å; A222-V255 HydrophobicContact CB-CG2 4.05Å
223	T	96.9	Very high	97.4	Very high	48 Å²	48	31.4 Å²	31.4	29%	0.294	16%	0.156	S	C	.	.			trans	-73	158	166.5	72	0	0	0	0	110.7	T225 V226 A227 D252	T223-T225 PolarHBondContact O-N 3.4Å; T223-T225 VanDerWaalsContact O-N 3.15Å; T223-T225 PolarHBondContact OG1-N 3.36Å; T223-V226 PolarHBondContact O-N 3.49Å; T223-V226 PolarHBondContact OG1-N 2.88Å; T223-A227 PolarHBondContact O-N 2.93Å; T223-D252 WeakPolarHBondContact CA-OD1 3.32Å; T223-D252 WeakPolarHBondContact CA-OD2 3.22Å; T223-D252 WeakPolarHBondContact CB-OD2 3.35Å; T223-D252 WeakPolarHBondContact CG2-OD2 3.38Å
224	V	96.2	Very high	97.4	Very high	33 Å²	33	31.7 Å²	31.7	20%	0.2	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-30.5	174.6	70.7	0	0	0	0	111.9	A227 H228 D252 G254	V224-A227 PolarHBondContact O-N 2.95Å; V224-H228 WeakPolarHBondContact O-CB 3.49Å; V224-H228 PolarHBondContact O-CD2 3.2Å; V224-H228 PolarHBondContact O-N 3.28Å; V224-D252 PolarHBondContact N-OD1 3.19Å; V224-G254 VanDerWaalsContact CA-O 3.29Å; V224-G254 WeakPolarHBondContact CA-O 3.45Å; V224-G254 VanDerWaalsContact CB-O 3.31Å; V224-G254 WeakPolarHBondContact CB-O 3.26Å
225	T	96.2	Very high	97.4	Very high	86 Å²	86	31.6 Å²	31.6	53%	0.528	16%	0.162	S	C	.	.	H	α-helix	trans	-65.3	-44.2	176.1	-65.2	0	0	0	0	111.6	T223 H228 K229	T223-T225 PolarHBondContact O-N 3.4Å; T223-T225 VanDerWaalsContact O-N 3.15Å; T223-T225 PolarHBondContact OG1-N 3.36Å; T225-H228 PolarHBondContact O-N 3.05Å; T225-K229 WeakPolarHBondContact O-CG 3.07Å; T225-K229 PolarHBondContact O-N 2.86Å
226	V	97.7	Very high	97.3	Very high	33 Å²	33	37.1 Å²	37.1	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-42.5	175.8	173.3	0	0	0	0	110.3	P196 E197 A222 T223 H228 K229 A230	P196-V226 HydrophobicContact CB-CG1 4.2Å; P196-V226 HydrophobicContact CG-CG1 4.39Å; P196-V226 WeakPolarHBondContact O-CG1 3.48Å; E197-V226 HydrophobicContact CB-CG1 4.25Å; A222-V226 HydrophobicContact CB-CB 4.16Å; A222-V226 HydrophobicContact CB-CG1 4.07Å; T223-V226 PolarHBondContact O-N 3.49Å; T223-V226 PolarHBondContact OG1-N 2.88Å; V226-H228 VanDerWaalsContact C-N 3.31Å; V226-H228 PolarHBondContact O-N 3Å; V226-K229 WeakPolarHBondContact O-CA 3.4Å; V226-K229 WeakPolarHBondContact O-CB 3.28Å; V226-K229 PolarHBondContact O-N 2.88Å; V226-A230 PolarHBondContact O-N 3.42Å
227	A	97.6	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-42.9	176.3	0	0	0	0	0	111.7	L217 T223 V224 K229 A230 V231 V255 L258	L217-A227 HydrophobicContact CD1-CB 4.32Å; T223-A227 PolarHBondContact O-N 2.93Å; V224-A227 PolarHBondContact O-N 2.95Å; A227-K229 VanDerWaalsContact C-N 3.33Å; A227-K229 PolarHBondContact O-N 3.28Å; A227-A230 WeakPolarHBondContact O-CB 3.4Å; A227-A230 PolarHBondContact O-N 2.89Å; A227-V231 WeakPolarHBondContact O-CG2 3.22Å; A227-V231 PolarHBondContact O-N 3.13Å; A227-V255 HydrophobicContact CB-CG2 4.35Å; A227-L258 HydrophobicContact CB-CD1 3.85Å; A227-L258 HydrophobicContact CB-CD2 3.98Å; A227-L258 HydrophobicContact CB-CG 3.81Å
228	H	97.1	Very high	97.2	Very high	36 Å²	36	37 Å²	37	17%	0.167	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-34.8	174.1	-85.7	-49.4	0	0	0	113.5	V224 T225 V226 R232 L258	V224-H228 WeakPolarHBondContact O-CB 3.49Å; V224-H228 PolarHBondContact O-CD2 3.2Å; V224-H228 PolarHBondContact O-N 3.28Å; T225-H228 PolarHBondContact O-N 3.05Å; V226-H228 VanDerWaalsContact C-N 3.31Å; V226-H228 PolarHBondContact O-N 3Å; H228-R232 WeakPolarHBondContact O-CG 3.1Å; H228-R232 PolarHBondContact O-N 2.98Å; H228-R232 VanDerWaalsContact O-N 3.11Å; H228-L258 VanDerWaalsContact ND1-CD2 3.35Å; H228-L258 WeakPolarHBondContact ND1-CD2 2.84Å
229	K	97.7	Very high	97.3	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-44.3	172.9	-68.7	175.1	-177.3	179.6	0	110.6	L202 T225 V226 A227 V231 R232 M233	L202-K229 HydrophobicContact CD1-CB 3.89Å; L202-K229 HydrophobicContact CD1-CD 4.09Å; L202-K229 HydrophobicContact CD2-CB 4.01Å; T225-K229 WeakPolarHBondContact O-CG 3.07Å; T225-K229 PolarHBondContact O-N 2.86Å; V226-K229 WeakPolarHBondContact O-CA 3.4Å; V226-K229 WeakPolarHBondContact O-CB 3.28Å; V226-K229 PolarHBondContact O-N 2.88Å; A227-K229 VanDerWaalsContact C-N 3.33Å; A227-K229 PolarHBondContact O-N 3.28Å; K229-V231 VanDerWaalsContact C-N 3.34Å; K229-V231 PolarHBondContact O-N 2.83Å; K229-R232 WeakPolarHBondContact O-CB 3.45Å; K229-R232 PolarHBondContact O-N 3.35Å; K229-M233 WeakPolarHBondContact O-CG 3.29Å; K229-M233 PolarHBondContact O-N 3.15Å
230	A	98.2	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-43.4	176.1	0	0	0	0	0	112.5	P196 L202 I205 L217 V226 A227 R232 M233 G234 A235	P196-A230 HydrophobicContact CB-CB 3.6Å; P196-A230 HydrophobicContact CG-CB 4.43Å; L202-A230 HydrophobicContact CD2-CB 4Å; I205-A230 HydrophobicContact CD1-CB 3.65Å; L217-A230 HydrophobicContact CD1-CB 4.14Å; L217-A230 HydrophobicContact CD2-CB 4.02Å; V226-A230 PolarHBondContact O-N 3.42Å; A227-A230 WeakPolarHBondContact O-CB 3.4Å; A227-A230 PolarHBondContact O-N 2.89Å; A230-R232 VanDerWaalsContact C-N 3.28Å; A230-R232 PolarHBondContact O-N 3.48Å; A230-M233 CarbonylContact O-C 3.57Å; A230-M233 WeakPolarHBondContact O-CA 3.34Å; A230-M233 PolarHBondContact O-N 2.83Å; A230-G234 PolarHBondContact O-N 2.91Å; A230-G234 VanDerWaalsContact O-N 3.07Å; A230-A235 HydrophobicContact CB-CB 4.15Å; A230-A235 WeakPolarHBondContact O-CB 3.06Å; A230-A235 PolarHBondContact O-N 3.49Å
231	V	97.8	Very high	97.2	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-35.4	174.6	171.9	0	0	0	0	112.2	A227 K229 M233 G234 L258 R263 I267	A227-V231 WeakPolarHBondContact O-CG2 3.22Å; A227-V231 PolarHBondContact O-N 3.13Å; K229-V231 VanDerWaalsContact C-N 3.34Å; K229-V231 PolarHBondContact O-N 2.83Å; V231-M233 VanDerWaalsContact C-N 3.27Å; V231-M233 PolarHBondContact O-N 2.91Å; V231-G234 PolarHBondContact O-N 3.02Å; V231-L258 HydrophobicContact CG2-CD1 3.69Å; V231-L258 HydrophobicContact CG2-CD2 3.87Å; V231-L258 HydrophobicContact CG2-CG 4.44Å; V231-R263 HydrophobicContact CG1-CB 4.33Å; V231-I267 HydrophobicContact CB-CD1 4.26Å; V231-I267 HydrophobicContact CG1-CD1 3.78Å; V231-I267 HydrophobicContact CG2-CD1 3.46Å; V231-I267 VanDerWaalsContact CG2-CD1 3.46Å; V231-I267 HydrophobicContact CG2-CG1 4.4Å
232	R	97.1	Very high	97.1	Very high	158 Å²	158	36.6 Å²	36.6	60%	0.596	18%	0.178	S	C	*	.	H	α-helix	trans	-68.4	-28.7	173.9	-70	172.2	-168.1	164.4	4.5	112.7	H228 K229 A230	H228-R232 WeakPolarHBondContact O-CG 3.1Å; H228-R232 PolarHBondContact O-N 2.98Å; H228-R232 VanDerWaalsContact O-N 3.11Å; K229-R232 WeakPolarHBondContact O-CB 3.45Å; K229-R232 PolarHBondContact O-N 3.35Å; A230-R232 VanDerWaalsContact C-N 3.28Å; A230-R232 PolarHBondContact O-N 3.48Å
233	M	97.8	Very high	96.8	Very high	71 Å²	71	37.1 Å²	37.1	35%	0.35	18%	0.18	S	C	.	.	H	α-helix	trans	-81.4	-15.8	176.8	-62.8	-59.1	92.7	0	0	112.8	L202 I205 K206 K229 A230 V231	L202-M233 HydrophobicContact CB-CG 4.15Å; L202-M233 HydrophobicContact CD2-CG 4.47Å; L202-M233 WeakPolarHBondContact O-CB 3.35Å; L202-M233 WeakPolarHBondContact O-CG 3.13Å; I205-M233 HydrophobicContact CB-CB 4.23Å; I205-M233 HydrophobicContact CG2-CB 3.86Å; K206-M233 VanDerWaalsContact CA-O 3.24Å; K206-M233 WeakPolarHBondContact CA-O 3.46Å; K206-M233 HydrophobicContact CB-CB 4.18Å; K206-M233 HydrophobicContact CB-SD 4.42Å; K206-M233 HydrophobicContact CD-SD 4.42Å; K229-M233 WeakPolarHBondContact O-CG 3.29Å; K229-M233 PolarHBondContact O-N 3.15Å; A230-M233 CarbonylContact O-C 3.57Å; A230-M233 WeakPolarHBondContact O-CA 3.34Å; A230-M233 PolarHBondContact O-N 2.83Å; V231-M233 VanDerWaalsContact C-N 3.27Å; V231-M233 PolarHBondContact O-N 2.91Å
234	G	97.5	Very high	96.5	Very high	15 Å²	15	34.9 Å²	34.9	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	129.9	-0.4	174.4	0	0	0	0	0	115	A230 V231 R236	A230-G234 PolarHBondContact O-N 2.91Å; A230-G234 VanDerWaalsContact O-N 3.07Å; V231-G234 PolarHBondContact O-N 3.02Å; G234-R236 WeakPolarHBondContact O-CG 3.36Å; G234-R236 PolarHBondContact O-N 2.68Å
235	A	98.2	Very high	96.3	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.025	16%	0.158	C	C	.	.			trans	-61.2	130.1	172.2	0	0	0	0	0	111	I205 V215 L217 A230	I205-A235 HydrophobicContact CG2-CB 4.02Å; V215-A235 HydrophobicContact CB-CB 4.29Å; V215-A235 HydrophobicContact CG1-CB 3.9Å; L217-A235 HydrophobicContact CD1-CB 4.4Å; L217-A235 HydrophobicContact CD2-CB 3.74Å; L217-A235 HydrophobicContact CG-CB 4.09Å; A230-A235 HydrophobicContact CB-CB 4.15Å; A230-A235 WeakPolarHBondContact O-CB 3.06Å; A230-A235 PolarHBondContact O-N 3.49Å
236	R	97.4	Very high	96.2	Very high	116 Å²	116	32.1 Å²	32.1	44%	0.438	15%	0.145	S	C	.	.			trans	-122	-18.9	-177	-66.3	-161.7	-72.7	-133.1	1.5	113.8	V215 G234 Y268 F366	V215-R236 PolarHBondContact O-N 2.64Å; V215-R236 VanDerWaalsContact O-N 3.07Å; G234-R236 WeakPolarHBondContact O-CG 3.36Å; G234-R236 PolarHBondContact O-N 2.68Å; R236-Y268 PolarHBondContact O-N 3.32Å; R236-F366 HydrophobicContact CB-CE2 4Å
237	G	98.2	Very high	95.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	158.4	-176.6	0	0	0	0	0	113.5	V215 S216 L217 Y268	V215-G237 PolarHBondContact O-N 2.99Å; S216-G237 CarbonylContact C-O 3.51Å; S216-G237 WeakPolarHBondContact CA-O 3.41Å; S216-G237 VanDerWaalsContact OG-C 3.27Å; L217-G237 PolarHBondContact N-O 3.3Å; G237-Y268 CarbonylContact C-O 3.58Å; G237-Y268 VanDerWaalsContact CA-O 3.26Å; G237-Y268 WeakPolarHBondContact CA-O 3.3Å
238	I	98.4	Very high	95.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.7	159.1	-57.7	170.5	0	0	0	107.1	S216 L217 I241 M245 V255 L258 L259 I267 Y268 Y269 G270	S216-I238 WeakPolarHBondContact OG-CA 3.39Å; S216-I238 PolarHBondContact OG-N 3.06Å; L217-I238 CarbonylContact O-C 3.57Å; L217-I238 WeakPolarHBondContact O-CA 3.36Å; I238-I241 HydrophobicContact CB-CD1 4.46Å; I238-I241 HydrophobicContact CD1-CD1 4.02Å; I238-I241 HydrophobicContact CG2-CB 4.49Å; I238-I241 HydrophobicContact CG2-CD1 3.69Å; I238-M245 HydrophobicContact CG2-CE 3.33Å; I238-M245 HydrophobicContact CG2-SD 4.02Å; I238-V255 HydrophobicContact CD1-CG1 4.12Å; I238-V255 HydrophobicContact CG1-CG1 4.03Å; I238-V255 HydrophobicContact CG2-CG1 3.98Å; I238-L258 HydrophobicContact CD1-CB 4.15Å; I238-L258 HydrophobicContact CD1-CD1 4.15Å; I238-L258 HydrophobicContact CG1-CD1 4.44Å; I238-L259 HydrophobicContact CD1-CD2 4.02Å; I238-I267 HydrophobicContact CD1-CG2 3.83Å; I238-I267 HydrophobicContact CG1-CG2 4Å; I238-Y268 PolarHBondContact N-O 3.04Å; I238-Y269 CarbonylContact O-C 3.57Å; I238-Y269 VanDerWaalsContact O-CA 3.25Å; I238-Y269 WeakPolarHBondContact O-CA 3.41Å; I238-G270 PolarHBondContact O-N 3.24Å
239	T	97.8	Very high	95	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.031	20%	0.202	C	C	.	.	S	Bend	trans	-79.6	131.2	-179.3	-58.8	0	0	0	0	108.3	T193 S216 L217 I241 M245	T193-T239 HydrophobicContact CG2-CG2 4.13Å; T193-T239 WeakPolarHBondContact CG2-OG1 3.25Å; T193-T239 PolarHBondContact OG1-OG1 3.39Å; S216-T239 VanDerWaalsContact CB-OG1 3.23Å; S216-T239 WeakPolarHBondContact CB-OG1 3.39Å; S216-T239 PolarHBondContact OG-N 3.03Å; S216-T239 PolarHBondContact OG-OG1 3.37Å; L217-T239 PolarHBondContact O-N 2.83Å; T239-I241 PolarHBondContact O-N 3.49Å; T239-M245 WeakPolarHBondContact O-CE 3.23Å
240	H	94.9	Very high	94.4	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.014	22%	0.219	C	C	.	.	S	Bend	trans	33.3	61.2	176	56.7	29.5	0	0	0	116.1	Q77 Y219 F242 N243 G270 I272	Q77-H240 PolarHBondContact NE2-CD2 2.71Å; Q77-H240 VanDerWaalsContact NE2-CD2 3.32Å; Y219-H240 AromaticContact CE2-CE1 3.48Å; Y219-H240 VanDerWaalsContact CE2-CE1 3.48Å; Y219-H240 WeakPolarHBondContact CE2-CE1 3.18Å; Y219-H240 AromaticContact CE2-NE2 3.17Å; Y219-H240 WeakPolarHBondContact CE2-NE2 3.28Å; Y219-H240 AromaticContact CZ-CE1 3.7Å; Y219-H240 AromaticContact CZ-NE2 3.18Å; Y219-H240 PolarHBondContact OH-NE2 3.35Å; H240-F242 PolarHBondContact O-N 3.17Å; H240-N243 HydrophobicContact CB-CB 4.33Å; H240-N243 PolarHBondContact ND1-O 2.99Å; H240-N243 VanDerWaalsContact O-CB 3.28Å; H240-N243 WeakPolarHBondContact O-CB 3.31Å; H240-N243 PolarHBondContact O-N 2.89Å; H240-N243 PolarHBondContact O-ND2 3.42Å; H240-G270 CarbonylContact C-O 3.52Å; H240-G270 WeakPolarHBondContact CA-O 3.49Å; H240-G270 PolarHBondContact N-O 2.82Å; H240-I272 HydrophobicContact CB-CD1 3.68Å; H240-I272 HydrophobicContact CB-CG1 4.06Å
241	I	95.4	Very high	94	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-33.7	136.1	-176.3	-168	70.6	0	0	0	113.4	I238 T239 N243 M245 A256 L259 Y269 G270 L271 A286	I238-I241 HydrophobicContact CB-CD1 4.46Å; I238-I241 HydrophobicContact CD1-CD1 4.02Å; I238-I241 HydrophobicContact CG2-CB 4.49Å; I238-I241 HydrophobicContact CG2-CD1 3.69Å; T239-I241 PolarHBondContact O-N 3.49Å; I241-N243 PolarHBondContact O-N 2.98Å; I241-N243 PolarHBondContact O-ND2 3.05Å; I241-M245 HydrophobicContact CD1-SD 4.36Å; I241-A256 HydrophobicContact CD1-CB 3.75Å; I241-L259 HydrophobicContact CD1-CD1 3.96Å; I241-L259 HydrophobicContact CD1-CG 4.41Å; I241-L259 HydrophobicContact CG1-CD1 4.01Å; I241-Y269 HydrophobicContact CB-CD2 4.05Å; I241-Y269 HydrophobicContact CG1-CD2 4.5Å; I241-Y269 HydrophobicContact CG2-CD2 3.75Å; I241-Y269 HydrophobicContact CG2-CE2 4.29Å; I241-G270 WeakPolarHBondContact CG2-O 2.83Å; I241-G270 PolarHBondContact N-O 2.86Å; I241-L271 HydrophobicContact CG2-CB 4.29Å; I241-L271 HydrophobicContact CG2-CD1 3.57Å; I241-A286 HydrophobicContact CG2-CB 4.47Å
242	F	93	Very high	93.8	Very high	48 Å²	48	52 Å²	52	21%	0.211	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-31.7	-173.1	-42.5	-56.7	0	0	0	115.7	H240 F248 A256 A282 A286	H240-F242 PolarHBondContact O-N 3.17Å; F242-F248 AromaticContact CD1-CE2 3.92Å; F242-F248 HydrophobicContact CD1-CE2 3.92Å; F242-F248 HydrophobicContact CD1-CZ 4.18Å; F242-F248 AromaticContact CE1-CE2 3.61Å; F242-F248 HydrophobicContact CE1-CE2 3.61Å; F242-F248 AromaticContact CE1-CZ 3.72Å; F242-F248 HydrophobicContact CE1-CZ 3.72Å; F242-A256 HydrophobicContact CD1-CB 4.4Å; F242-A256 HydrophobicContact CE1-CB 4.42Å; F242-A282 HydrophobicContact CD2-CB 4.11Å; F242-A282 HydrophobicContact CE2-CB 3.98Å; F242-A282 WeakPolarHBondContact CE2-O 3.35Å; F242-A286 HydrophobicContact CE2-CB 3.86Å; F242-A286 HydrophobicContact CZ-CB 3.95Å
243	N	91	Very high	93.6	Very high	14 Å²	14	47.8 Å²	47.8	8%	0.075	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	139.2	-178.8	-57.1	-83.4	0	0	0	110.9	H240 I241 M245 N277	H240-N243 HydrophobicContact CB-CB 4.33Å; H240-N243 PolarHBondContact ND1-O 2.99Å; H240-N243 VanDerWaalsContact O-CB 3.28Å; H240-N243 WeakPolarHBondContact O-CB 3.31Å; H240-N243 PolarHBondContact O-N 2.89Å; H240-N243 PolarHBondContact O-ND2 3.42Å; I241-N243 PolarHBondContact O-N 2.98Å; I241-N243 PolarHBondContact O-ND2 3.05Å; N243-M245 WeakPolarHBondContact O-CG 3.37Å; N243-M245 PolarHBondContact O-N 3.42Å; N243-M245 VanDerWaalsContact O-N 3.16Å; N243-N277 PolarHBondContact OD1-O 2.54Å
244	A	91.6	Very high	93.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.2	-179.3	0	0	0	0	0	114.1	K158 Y219 S220 M328	K158-A244 WeakPolarHBondContact CB-O 3.46Å; K158-A244 WeakPolarHBondContact O-CB 3.11Å; Y219-A244 CarbonylContact C-O 3.49Å; Y219-A244 WeakPolarHBondContact CA-O 3.46Å; Y219-A244 HydrophobicContact CD1-CB 3.45Å; Y219-A244 VanDerWaalsContact CD1-CB 3.45Å; Y219-A244 HydrophobicContact CE1-CB 3.55Å; Y219-A244 HydrophobicContact CG-CB 4.01Å; Y219-A244 PolarHBondContact N-O 3.11Å; S220-A244 PolarHBondContact N-O 3.34Å; A244-M328 PolarHBondContact N-SD 3Å
245	M	92.9	Very high	93.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-124.2	164	-178.4	-71.9	174.8	-158.9	0	0	113.5	K158 S220 I238 T239 I241 N243 T247 V255 M328	K158-M245 VanDerWaalsContact CE-O 3.3Å; K158-M245 WeakPolarHBondContact CE-O 3.27Å; K158-M245 PolarHBondContact NZ-O 3.4Å; S220-M245 CarbonylContact O-C 3.5Å; S220-M245 VanDerWaalsContact O-CA 3.3Å; S220-M245 WeakPolarHBondContact O-CA 3.14Å; I238-M245 HydrophobicContact CG2-CE 3.33Å; I238-M245 HydrophobicContact CG2-SD 4.02Å; T239-M245 WeakPolarHBondContact O-CE 3.23Å; I241-M245 HydrophobicContact CD1-SD 4.36Å; N243-M245 WeakPolarHBondContact O-CG 3.37Å; N243-M245 PolarHBondContact O-N 3.42Å; N243-M245 VanDerWaalsContact O-N 3.16Å; M245-T247 PolarHBondContact O-N 2.69Å; M245-V255 HydrophobicContact SD-CB 4.28Å; M245-V255 HydrophobicContact SD-CG1 4.33Å; M245-M328 VanDerWaalsContact N-CE 3.31Å
246	K	92.7	Very high	93.3	Very high	57 Å²	57	43.8 Å²	43.8	25%	0.248	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-55.8	130	164.4	-174.9	169.3	-179.4	173.5	0	110	S220 D252	S220-K246 PolarHBondContact O-N 3.42Å; K246-D252 WeakPolarHBondContact CE-OD2 3.32Å; K246-D252 IonicContact NZ-OD2 2.73Å; K246-D252 PolarHBondContact NZ-OD2 3.28Å
247	T	89.1	Confident	93.2	Very high	109 Å²	109	38.4 Å²	38.4	67%	0.669	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-70.8	150.2	177.8	-46.9	0	0	0	0	110.4	M245 H249	M245-T247 PolarHBondContact O-N 2.69Å; T247-H249 PolarHBondContact O-N 3.13Å
248	F	88.1	Confident	93.1	Very high	91 Å²	91	38.5 Å²	38.5	40%	0.399	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-58.5	130.3	174.3	-68	-56.5	0	0	0	112.1	F242 M253 A256	F242-F248 AromaticContact CD1-CE2 3.92Å; F242-F248 HydrophobicContact CD1-CE2 3.92Å; F242-F248 HydrophobicContact CD1-CZ 4.18Å; F242-F248 AromaticContact CE1-CE2 3.61Å; F242-F248 HydrophobicContact CE1-CE2 3.61Å; F242-F248 AromaticContact CE1-CZ 3.72Å; F242-F248 HydrophobicContact CE1-CZ 3.72Å; F248-M253 HydrophobicContact CD1-CB 3.71Å; F248-M253 HydrophobicContact CD1-CG 3.96Å; F248-M253 WeakPolarHBondContact CD1-O 3.39Å; F248-M253 HydrophobicContact CE1-CB 3.97Å; F248-M253 HydrophobicContact CE1-CG 4.42Å; F248-A256 HydrophobicContact CE1-CB 3.43Å; F248-A256 VanDerWaalsContact CE1-CB 3.43Å; F248-A256 HydrophobicContact CE2-CB 4.47Å; F248-A256 HydrophobicContact CZ-CB 3.42Å; F248-A256 VanDerWaalsContact CZ-CB 3.42Å
249	H	89.8	Confident	93	Very high	108 Å²	108	38.4 Å²	38.4	50%	0.5	20%	0.197	S	C	.	.			trans	-132	160.4	167.3	-161.2	-96.8	0	0	0	108.8	T247 D251 D252	T247-H249 PolarHBondContact O-N 3.13Å; H249-D251 VanDerWaalsContact C-N 3.33Å; H249-D251 IonicContact CE1-OD1 3.54Å; H249-D251 IonicContact CG-OD1 2.73Å; H249-D251 IonicContact ND1-OD1 2.96Å; H249-D251 PolarHBondContact ND1-OD1 3.42Å; H249-D251 PolarHBondContact O-N 3.38Å; H249-D252 PolarHBondContact N-O 3.18Å; H249-D252 VanDerWaalsContact N-O 3.13Å; H249-D252 CarbonylContact O-C 3.5Å; H249-D252 PolarHBondContact O-N 3.27Å
250	D	85.5	Confident	92.7	Very high	146 Å²	146	43.3 Å²	43.3	78%	0.781	22%	0.221	S	C	*	.	S	Bend	trans	-67.2	-33.7	-174.4	64.2	-18.6	0	0	0	112.9
251	D	90.2	Very high	92.5	Very high	129 Å²	129	43.7 Å²	43.7	69%	0.69	23%	0.226	S	C	*	.	S	Bend	trans	-83.6	-21.6	176.1	71.7	-17.4	0	0	0	114.2	H249	H249-D251 VanDerWaalsContact C-N 3.33Å; H249-D251 IonicContact CE1-OD1 3.54Å; H249-D251 IonicContact CG-OD1 2.73Å; H249-D251 IonicContact ND1-OD1 2.96Å; H249-D251 PolarHBondContact ND1-OD1 3.42Å; H249-D251 PolarHBondContact O-N 3.38Å
252	D	92.8	Very high	92.1	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	26%	0.264	C	S	.	.			trans	-157.5	114.3	-177.5	-174.4	10.4	0	0	0	112.5	T223 V224 K246 H249 G254	T223-D252 WeakPolarHBondContact CA-OD1 3.32Å; T223-D252 WeakPolarHBondContact CA-OD2 3.22Å; T223-D252 WeakPolarHBondContact CB-OD2 3.35Å; T223-D252 WeakPolarHBondContact CG2-OD2 3.38Å; V224-D252 PolarHBondContact N-OD1 3.19Å; K246-D252 WeakPolarHBondContact CE-OD2 3.32Å; K246-D252 IonicContact NZ-OD2 2.73Å; K246-D252 PolarHBondContact NZ-OD2 3.28Å; H249-D252 PolarHBondContact N-O 3.18Å; H249-D252 VanDerWaalsContact N-O 3.13Å; H249-D252 CarbonylContact O-C 3.5Å; H249-D252 PolarHBondContact O-N 3.27Å; D252-G254 VanDerWaalsContact C-N 3.26Å; D252-G254 PolarHBondContact O-N 3.14Å; D252-G254 PolarHBondContact OD1-N 3.49Å
253	M	92.7	Very high	91.8	Very high	69 Å²	69	52.9 Å²	52.9	34%	0.34	28%	0.275	S	S	.	.			trans	-84.2	3.1	177.4	-67.6	-174.5	178.7	0	0	113.9	F248 G257 M260	F248-M253 HydrophobicContact CD1-CB 3.71Å; F248-M253 HydrophobicContact CD1-CG 3.96Å; F248-M253 WeakPolarHBondContact CD1-O 3.39Å; F248-M253 HydrophobicContact CE1-CB 3.97Å; F248-M253 HydrophobicContact CE1-CG 4.42Å; M253-G257 PolarHBondContact O-N 2.81Å; M253-M260 HydrophobicContact CE-CE 4.31Å; M253-M260 HydrophobicContact CE-SD 4.18Å; M253-M260 HydrophobicContact SD-CE 4.46Å; M253-M260 HydrophobicContact SD-SD 3.71Å
254	G	96	Very high	91.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-152.5	-178.3	0	0	0	0	0	113.2	A222 V224 D252 A256 G257	A222-G254 VanDerWaalsContact O-CA 3.26Å; A222-G254 WeakPolarHBondContact O-CA 3.24Å; V224-G254 VanDerWaalsContact CA-O 3.29Å; V224-G254 WeakPolarHBondContact CA-O 3.45Å; V224-G254 VanDerWaalsContact CB-O 3.31Å; V224-G254 WeakPolarHBondContact CB-O 3.26Å; D252-G254 VanDerWaalsContact C-N 3.26Å; D252-G254 PolarHBondContact O-N 3.14Å; D252-G254 PolarHBondContact OD1-N 3.49Å; G254-A256 VanDerWaalsContact C-N 3.28Å; G254-A256 PolarHBondContact O-N 3.37Å; G254-G257 PolarHBondContact O-N 2.83Å; G254-G257 VanDerWaalsContact O-N 3.15Å
255	V	96.8	Very high	91.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.7	-38.9	178.6	176.8	0	0	0	0	111.9	L217 A222 A227 I238 M245 G257 L258	L217-V255 HydrophobicContact CB-CG1 3.85Å; L217-V255 HydrophobicContact CD1-CG1 4.23Å; A222-V255 HydrophobicContact CB-CG2 4.05Å; A227-V255 HydrophobicContact CB-CG2 4.35Å; I238-V255 HydrophobicContact CD1-CG1 4.12Å; I238-V255 HydrophobicContact CG1-CG1 4.03Å; I238-V255 HydrophobicContact CG2-CG1 3.98Å; M245-V255 HydrophobicContact SD-CB 4.28Å; M245-V255 HydrophobicContact SD-CG1 4.33Å; V255-G257 PolarHBondContact O-N 2.67Å; V255-L258 HydrophobicContact CG1-CD1 4.4Å; V255-L258 VanDerWaalsContact O-CB 3.27Å; V255-L258 WeakPolarHBondContact O-CB 3.41Å; V255-L258 VanDerWaalsContact O-CG 3.28Å; V255-L258 WeakPolarHBondContact O-CG 3.39Å; V255-L258 PolarHBondContact O-N 3.41Å
256	A	95	Very high	91.4	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.033	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.8	-179.3	0	0	0	0	0	113.2	I241 F242 F248 G254 L258 L259	I241-A256 HydrophobicContact CD1-CB 3.75Å; F242-A256 HydrophobicContact CD1-CB 4.4Å; F242-A256 HydrophobicContact CE1-CB 4.42Å; F248-A256 HydrophobicContact CE1-CB 3.43Å; F248-A256 VanDerWaalsContact CE1-CB 3.43Å; F248-A256 HydrophobicContact CE2-CB 4.47Å; F248-A256 HydrophobicContact CZ-CB 3.42Å; F248-A256 VanDerWaalsContact CZ-CB 3.42Å; G254-A256 VanDerWaalsContact C-N 3.28Å; G254-A256 PolarHBondContact O-N 3.37Å; A256-L258 PolarHBondContact O-N 3.06Å; A256-L258 VanDerWaalsContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 3.27Å; A256-L259 VanDerWaalsContact O-N 3.12Å
257	G	95.5	Very high	91.6	Very high	4 Å²	4	61.1 Å²	61.1	4%	0.041	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-58.6	-20.3	170.9	0	0	0	0	0	114.3	M253 G254 V255 L259 M260 G261	M253-G257 PolarHBondContact O-N 2.81Å; G254-G257 PolarHBondContact O-N 2.83Å; G254-G257 VanDerWaalsContact O-N 3.15Å; V255-G257 PolarHBondContact O-N 2.67Å; G257-L259 PolarHBondContact O-N 3.32Å; G257-M260 PolarHBondContact O-N 3.16Å; G257-M260 VanDerWaalsContact O-N 3.07Å; G257-G261 PolarHBondContact O-N 2.87Å
258	L	96.1	Very high	92	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	173.7	-72	179.7	0	0	0	113	L217 A227 H228 V231 I238 V255 A256 M260 G261	L217-L258 HydrophobicContact CD1-CD1 3.77Å; A227-L258 HydrophobicContact CB-CD1 3.85Å; A227-L258 HydrophobicContact CB-CD2 3.98Å; A227-L258 HydrophobicContact CB-CG 3.81Å; H228-L258 VanDerWaalsContact ND1-CD2 3.35Å; H228-L258 WeakPolarHBondContact ND1-CD2 2.84Å; V231-L258 HydrophobicContact CG2-CD1 3.69Å; V231-L258 HydrophobicContact CG2-CD2 3.87Å; V231-L258 HydrophobicContact CG2-CG 4.44Å; I238-L258 HydrophobicContact CD1-CB 4.15Å; I238-L258 HydrophobicContact CD1-CD1 4.15Å; I238-L258 HydrophobicContact CG1-CD1 4.44Å; V255-L258 HydrophobicContact CG1-CD1 4.4Å; V255-L258 VanDerWaalsContact O-CB 3.27Å; V255-L258 WeakPolarHBondContact O-CB 3.41Å; V255-L258 VanDerWaalsContact O-CG 3.28Å; V255-L258 WeakPolarHBondContact O-CG 3.39Å; V255-L258 PolarHBondContact O-N 3.41Å; A256-L258 PolarHBondContact O-N 3.06Å; A256-L258 VanDerWaalsContact O-N 3.13Å; L258-M260 PolarHBondContact O-N 3.14Å; L258-G261 PolarHBondContact O-N 3.27Å
259	L	95.5	Very high	92.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69.3	-17.2	179.6	-56.4	-170.4	0	0	0	113.1	I238 I241 A256 G257 R264 I267 Y269 L289 C290	I238-L259 HydrophobicContact CD1-CD2 4.02Å; I241-L259 HydrophobicContact CD1-CD1 3.96Å; I241-L259 HydrophobicContact CD1-CG 4.41Å; I241-L259 HydrophobicContact CG1-CD1 4.01Å; A256-L259 PolarHBondContact O-N 3.27Å; A256-L259 VanDerWaalsContact O-N 3.12Å; G257-L259 PolarHBondContact O-N 3.32Å; L259-R264 WeakPolarHBondContact O-CB 3.46Å; L259-R264 VanDerWaalsContact O-CD 3.24Å; L259-R264 WeakPolarHBondContact O-CD 3.4Å; L259-I267 HydrophobicContact CD2-CG2 4.35Å; L259-Y269 HydrophobicContact CD1-CD1 4.26Å; L259-Y269 HydrophobicContact CD1-CD2 4.46Å; L259-Y269 HydrophobicContact CD1-CE1 4.16Å; L259-Y269 HydrophobicContact CD1-CE2 4.36Å; L259-Y269 HydrophobicContact CD1-CG 4.39Å; L259-Y269 HydrophobicContact CD2-CD1 3.41Å; L259-Y269 VanDerWaalsContact CD2-CD1 3.41Å; L259-Y269 HydrophobicContact CD2-CE1 3.72Å; L259-Y269 HydrophobicContact CD2-CG 4.05Å; L259-Y269 HydrophobicContact CG-CD1 4.5Å; L259-L289 HydrophobicContact CB-CB 4.1Å; L259-L289 HydrophobicContact CB-CD1 4.49Å; L259-C290 HydrophobicContact CB-CB 4.14Å; L259-C290 HydrophobicContact CD2-CB 4.07Å
260	M	92.7	Very high	92.9	Very high	108 Å²	108	47.6 Å²	47.6	53%	0.532	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-105.7	-6.2	176.4	-66.5	178.1	68.1	0	0	112.7	M253 G257 L258 L289	M253-M260 HydrophobicContact CE-CE 4.31Å; M253-M260 HydrophobicContact CE-SD 4.18Å; M253-M260 HydrophobicContact SD-CE 4.46Å; M253-M260 HydrophobicContact SD-SD 3.71Å; G257-M260 PolarHBondContact O-N 3.16Å; G257-M260 VanDerWaalsContact O-N 3.07Å; L258-M260 PolarHBondContact O-N 3.14Å; M260-L289 HydrophobicContact CG-CD1 4.34Å; M260-L289 HydrophobicContact CG-CD2 3.68Å; M260-L289 HydrophobicContact CG-CG 4.49Å; M260-L289 HydrophobicContact SD-CD1 4.44Å; M260-L289 HydrophobicContact SD-CD2 3.89Å
261	G	89.6	Confident	93.5	Very high	11 Å²	11	40.6 Å²	40.6	11%	0.113	22%	0.215	C	C	.	.	S	Bend	trans	-80.4	171.8	-173.9	0	0	0	0	0	114.5	G257 L258 R263 R264	G257-G261 PolarHBondContact O-N 2.87Å; L258-G261 PolarHBondContact O-N 3.27Å; G261-R263 PolarHBondContact O-N 3.38Å; G261-R263 VanDerWaalsContact O-N 3.1Å; G261-R264 WeakPolarHBondContact O-CB 3.1Å; G261-R264 WeakPolarHBondContact O-CG 3.16Å; G261-R264 PolarHBondContact O-N 3.19Å
262	P	87.5	Confident	93.7	Very high	123 Å²	123	34.6 Å²	34.6	80%	0.799	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.3	-176.8	25.6	-35.6	0	0	0	114.1
263	R	87.2	Confident	93.7	Very high	118 Å²	118	34 Å²	34	45%	0.445	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	17	177.8	-66.9	-169.3	178	-169	-2.1	113.2	V231 G261 S265 S266	V231-R263 HydrophobicContact CG1-CB 4.33Å; G261-R263 PolarHBondContact O-N 3.38Å; G261-R263 VanDerWaalsContact O-N 3.1Å; R263-S265 PolarHBondContact O-N 2.83Å; R263-S265 VanDerWaalsContact O-N 3.08Å; R263-S266 PolarHBondContact O-N 3.3Å; R263-S266 PolarHBondContact O-OG 2.93Å
264	R	89.8	Confident	93.4	Very high	122 Å²	122	31.1 Å²	31.1	46%	0.46	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-54	-32.9	-177.7	66.6	179.2	-177.5	143.1	-0.3	113.4	L259 G261 S266 I267 L289 C290	L259-R264 WeakPolarHBondContact O-CB 3.46Å; L259-R264 VanDerWaalsContact O-CD 3.24Å; L259-R264 WeakPolarHBondContact O-CD 3.4Å; G261-R264 WeakPolarHBondContact O-CB 3.1Å; G261-R264 WeakPolarHBondContact O-CG 3.16Å; G261-R264 PolarHBondContact O-N 3.19Å; R264-S266 VanDerWaalsContact C-N 3.25Å; R264-S266 PolarHBondContact O-N 2.76Å; R264-I267 PolarHBondContact O-N 3.16Å; R264-L289 PolarHBondContact NH1-O 3.26Å; R264-C290 PolarHBondContact O-SG 2.71Å
265	S	86.6	Confident	92.9	Very high	72 Å²	72	32.2 Å²	32.2	50%	0.503	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-67.5	-19.7	179.3	55.2	0	0	0	0	114.3	R263 R292	R263-S265 PolarHBondContact O-N 2.83Å; R263-S265 VanDerWaalsContact O-N 3.08Å; S265-R292 VanDerWaalsContact O-CZ 3.23Å; S265-R292 PolarHBondContact O-NE 3.21Å; S265-R292 PolarHBondContact O-NH2 2.84Å
266	S	90	Very high	92.2	Very high	51 Å²	51	38.5 Å²	38.5	36%	0.357	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-96.3	3.1	177.6	68.2	0	0	0	0	113.6	R263 R264	R263-S266 PolarHBondContact O-N 3.3Å; R263-S266 PolarHBondContact O-OG 2.93Å; R264-S266 VanDerWaalsContact C-N 3.25Å; R264-S266 PolarHBondContact O-N 2.76Å
267	I	96.8	Very high	91.5	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.21	C	C	.	.			trans	-107.7	131.4	-176.4	-59.8	-59.1	0	0	0	110	V231 I238 L259 R264 G293	V231-I267 HydrophobicContact CB-CD1 4.26Å; V231-I267 HydrophobicContact CG1-CD1 3.78Å; V231-I267 HydrophobicContact CG2-CD1 3.46Å; V231-I267 VanDerWaalsContact CG2-CD1 3.46Å; V231-I267 HydrophobicContact CG2-CG1 4.4Å; I238-I267 HydrophobicContact CD1-CG2 3.83Å; I238-I267 HydrophobicContact CG1-CG2 4Å; L259-I267 HydrophobicContact CD2-CG2 4.35Å; R264-I267 PolarHBondContact O-N 3.16Å; I267-G293 WeakPolarHBondContact O-CA 3.44Å
268	Y	98.4	Very high	91	Very high	20 Å²	20	39.6 Å²	39.6	8%	0.078	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	153.5	167.2	-68.1	-96.6	0	0	0	109.5	R236 G237 I238 G293 M295 K365 F366	R236-Y268 PolarHBondContact O-N 3.32Å; G237-Y268 CarbonylContact C-O 3.58Å; G237-Y268 VanDerWaalsContact CA-O 3.26Å; G237-Y268 WeakPolarHBondContact CA-O 3.3Å; I238-Y268 PolarHBondContact N-O 3.04Å; Y268-G293 CarbonylContact C-O 3.6Å; Y268-G293 WeakPolarHBondContact CA-O 3.41Å; Y268-M295 HydrophobicContact CD1-CG 4.1Å; Y268-M295 HydrophobicContact CD1-SD 3.98Å; Y268-M295 HydrophobicContact CG-SD 4.29Å; Y268-K365 HydrophobicContact CE1-CB 4.19Å; Y268-K365 WeakPolarHBondContact OH-CB 3.47Å; Y268-F366 HydrophobicContact CD1-CB 3.88Å; Y268-F366 HydrophobicContact CD2-CB 4.16Å; Y268-F366 AromaticContact CD2-CD2 3.84Å; Y268-F366 HydrophobicContact CD2-CD2 3.84Å; Y268-F366 HydrophobicContact CD2-CG 4.47Å; Y268-F366 HydrophobicContact CE1-CB 4.34Å; Y268-F366 HydrophobicContact CG-CB 3.78Å; Y268-F366 AromaticContact CG-CD2 3.82Å; Y268-F366 HydrophobicContact CG-CD2 3.82Å; Y268-F366 HydrophobicContact CG-CG 4.16Å
269	Y	98.4	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	133.1	178.7	59.1	-84.5	0	0	0	111.2	I238 I241 L259 A286 C290 G293 L294 M295	I238-Y269 CarbonylContact O-C 3.57Å; I238-Y269 VanDerWaalsContact O-CA 3.25Å; I238-Y269 WeakPolarHBondContact O-CA 3.41Å; I241-Y269 HydrophobicContact CB-CD2 4.05Å; I241-Y269 HydrophobicContact CG1-CD2 4.5Å; I241-Y269 HydrophobicContact CG2-CD2 3.75Å; I241-Y269 HydrophobicContact CG2-CE2 4.29Å; L259-Y269 HydrophobicContact CD1-CD1 4.26Å; L259-Y269 HydrophobicContact CD1-CD2 4.46Å; L259-Y269 HydrophobicContact CD1-CE1 4.16Å; L259-Y269 HydrophobicContact CD1-CE2 4.36Å; L259-Y269 HydrophobicContact CD1-CG 4.39Å; L259-Y269 HydrophobicContact CD2-CD1 3.41Å; L259-Y269 VanDerWaalsContact CD2-CD1 3.41Å; L259-Y269 HydrophobicContact CD2-CE1 3.72Å; L259-Y269 HydrophobicContact CD2-CG 4.05Å; L259-Y269 HydrophobicContact CG-CD1 4.5Å; Y269-A286 HydrophobicContact CE2-CB 3.97Å; Y269-A286 PolarHBondContact OH-O 2.84Å; Y269-C290 HydrophobicContact CE1-CB 3.77Å; Y269-C290 VanDerWaalsContact CE1-O 3.25Å; Y269-C290 WeakPolarHBondContact CE1-O 3.17Å; Y269-C290 PolarHBondContact OH-O 3.07Å; Y269-G293 WeakPolarHBondContact CD1-O 3.29Å; Y269-G293 PolarHBondContact N-O 3.42Å; Y269-L294 HydrophobicContact CE1-CB 4.31Å; Y269-L294 HydrophobicContact CE2-CB 3.91Å; Y269-L294 HydrophobicContact CE2-CD1 4.18Å; Y269-L294 HydrophobicContact CE2-CG 3.76Å; Y269-L294 WeakPolarHBondContact OH-CB 3.33Å; Y269-M295 PolarHBondContact O-N 2.89Å
270	G	98	Very high	90.7	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.9	170.2	0	0	0	0	0	110.1	I238 H240 I241 M295	I238-G270 PolarHBondContact O-N 3.24Å; H240-G270 CarbonylContact C-O 3.52Å; H240-G270 WeakPolarHBondContact CA-O 3.49Å; H240-G270 PolarHBondContact N-O 2.82Å; I241-G270 WeakPolarHBondContact CG2-O 2.83Å; I241-G270 PolarHBondContact N-O 2.86Å; G270-M295 CarbonylContact C-O 3.47Å; G270-M295 WeakPolarHBondContact CA-O 3.46Å
271	L	97	Very high	90.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	173.6	179.5	70.5	0	0	0	109.2	I241 A273 C278 V283 A286 L294 M295 V297 L344	I241-L271 HydrophobicContact CG2-CB 4.29Å; I241-L271 HydrophobicContact CG2-CD1 3.57Å; L271-A273 PolarHBondContact O-N 3.41Å; L271-C278 HydrophobicContact CD1-CB 4.36Å; L271-V283 HydrophobicContact CD2-CB 4.46Å; L271-V283 HydrophobicContact CD2-CG1 4.08Å; L271-V283 HydrophobicContact CD2-CG2 4.42Å; L271-A286 HydrophobicContact CD1-CB 4.25Å; L271-A286 HydrophobicContact CD2-CB 4.34Å; L271-L294 HydrophobicContact CB-CD2 4.39Å; L271-L294 HydrophobicContact CB-CG 4.4Å; L271-L294 HydrophobicContact CD2-CD1 3.78Å; L271-L294 HydrophobicContact CD2-CD2 4.22Å; L271-L294 HydrophobicContact CD2-CG 4.13Å; L271-M295 PolarHBondContact N-O 3.32Å; L271-V297 PolarHBondContact O-N 2.71Å; L271-L344 HydrophobicContact CD2-CD1 4.44Å
272	I	94.4	Very high	91.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	26%	0.262	C	S	.	.			trans	-88.3	102.3	172.5	-54.4	165.8	0	0	0	107.1	H240 D274 N277 C278 V297 N299	H240-I272 HydrophobicContact CB-CD1 3.68Å; H240-I272 HydrophobicContact CB-CG1 4.06Å; I272-D274 HydrophobicContact CG2-CB 4.22Å; I272-D274 PolarHBondContact O-N 2.92Å; I272-N277 HydrophobicContact CB-CB 4.15Å; I272-N277 HydrophobicContact CD1-CB 4.28Å; I272-N277 HydrophobicContact CG2-CB 3.92Å; I272-C278 WeakPolarHBondContact O-CB 3.44Å; I272-V297 HydrophobicContact CG1-CG2 4.06Å; I272-N299 HydrophobicContact CD1-CB 3.47Å; I272-N299 VanDerWaalsContact CD1-CB 3.47Å; I272-N299 WeakPolarHBondContact CD1-ND2 3.4Å; I272-N299 HydrophobicContact CG1-CB 3.84Å
273	A	93.2	Very high	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.			trans	-96.5	55.3	-175.5	0	0	0	0	0	112	L271 V283 L296 S343	L271-A273 PolarHBondContact O-N 3.41Å; A273-V283 HydrophobicContact CB-CG2 4.42Å; A273-L296 HydrophobicContact CB-CD2 3.58Å; A273-S343 WeakPolarHBondContact O-CB 3.18Å; A273-S343 PolarHBondContact O-OG 3.47Å
274	D	87.5	Confident	92	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-98.2	-14.1	-177.3	62	0.2	0	0	0	114.1	I272 F276 N277 C278 V335	I272-D274 HydrophobicContact CG2-CB 4.22Å; I272-D274 PolarHBondContact O-N 2.92Å; D274-F276 VanDerWaalsContact C-N 3.25Å; D274-F276 HydrophobicContact CB-CD2 4.25Å; D274-F276 WeakPolarHBondContact O-CD2 3.4Å; D274-F276 PolarHBondContact O-N 2.88Å; D274-F276 PolarHBondContact OD1-N 3.04Å; D274-N277 PolarHBondContact OD1-N 2.84Å; D274-N277 PolarHBondContact OD2-N 2.67Å; D274-N277 PolarHBondContact OD2-ND2 2.91Å; D274-C278 PolarHBondContact OD1-N 3Å; D274-V335 HydrophobicContact CB-CB 3.81Å; D274-V335 HydrophobicContact CB-CG1 4.35Å; D274-V335 HydrophobicContact CB-CG2 3.42Å; D274-V335 VanDerWaalsContact CB-CG2 3.42Å
275	G	83.9	Confident	92.3	Very high	22 Å²	22	36.9 Å²	36.9	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	80.4	-1.1	-173.3	0	0	0	0	0	114.6	C278	G275-C278 WeakPolarHBondContact CA-O 3.34Å
276	F	82.3	Confident	92.8	Very high	132 Å²	132	33.4 Å²	33.4	58%	0.579	19%	0.192	S	C	*	.	S	Bend	trans	-111	-56.3	178.6	-60	-80.8	0	0	0	111.8	D274 C278 V331	D274-F276 VanDerWaalsContact C-N 3.25Å; D274-F276 HydrophobicContact CB-CD2 4.25Å; D274-F276 WeakPolarHBondContact O-CD2 3.4Å; D274-F276 PolarHBondContact O-N 2.88Å; D274-F276 PolarHBondContact OD1-N 3.04Å; F276-C278 VanDerWaalsContact C-N 3.33Å; F276-V331 HydrophobicContact CB-CB 4.18Å
277	N	80.9	Confident	93.1	Very high	29 Å²	29	33.5 Å²	33.5	16%	0.155	19%	0.185	C	C	.	.	S	Bend	trans	-71.1	-33.2	174.7	-76.4	-71.6	0	0	0	111.4	N243 I272 D274 P330	N243-N277 PolarHBondContact OD1-O 2.54Å; I272-N277 HydrophobicContact CB-CB 4.15Å; I272-N277 HydrophobicContact CD1-CB 4.28Å; I272-N277 HydrophobicContact CG2-CB 3.92Å; D274-N277 PolarHBondContact OD1-N 2.84Å; D274-N277 PolarHBondContact OD2-N 2.67Å; D274-N277 PolarHBondContact OD2-ND2 2.91Å; N277-P330 VanDerWaalsContact OD1-CA 3.28Å; N277-P330 WeakPolarHBondContact OD1-CA 3.47Å
278	C	86	Confident	93	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.02	21%	0.214	C	C	.	.	S	Bend	trans	-132.1	111.9	176.6	-161.6	0	0	0	0	109.5	L271 I272 D274 G275 F276 A282 V283	L271-C278 HydrophobicContact CD1-CB 4.36Å; I272-C278 WeakPolarHBondContact O-CB 3.44Å; D274-C278 PolarHBondContact OD1-N 3Å; G275-C278 WeakPolarHBondContact CA-O 3.34Å; F276-C278 VanDerWaalsContact C-N 3.33Å; C278-A282 WeakPolarHBondContact SG-CB 3.46Å; C278-V283 HydrophobicContact CB-CG2 3.93Å
279	E	91	Very high	92.8	Very high	138 Å²	138	42.1 Å²	42.1	65%	0.645	22%	0.219	S	C	*	.			trans	-58.2	150.3	176.4	-72.9	-164.8	175.3	0	0	111.1	A281 A282 V283	E279-A281 PolarHBondContact O-N 2.98Å; E279-A282 WeakPolarHBondContact O-CA 3.24Å; E279-A282 WeakPolarHBondContact O-CB 3.44Å; E279-A282 PolarHBondContact O-N 2.58Å; E279-V283 PolarHBondContact O-N 3.24Å
280	P	94.5	Very high	92.7	Very high	54 Å²	54	42.4 Å²	42.4	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-50.2	-36.5	-179.7	-31.7	37	0	0	0	114.7	V283 K284 Y347	P280-V283 PolarHBondContact O-N 2.72Å; P280-K284 WeakPolarHBondContact O-CB 3.3Å; P280-K284 PolarHBondContact O-N 3.06Å; P280-Y347 HydrophobicContact CB-CD1 3.66Å; P280-Y347 HydrophobicContact CB-CD2 4.24Å; P280-Y347 HydrophobicContact CB-CE1 4.21Å; P280-Y347 HydrophobicContact CB-CG 3.69Å; P280-Y347 HydrophobicContact CG-CD1 3.77Å; P280-Y347 HydrophobicContact CG-CD2 4.27Å; P280-Y347 HydrophobicContact CG-CE1 3.78Å; P280-Y347 HydrophobicContact CG-CE2 4.27Å; P280-Y347 HydrophobicContact CG-CG 4.04Å
281	A	96	Very high	92.6	Very high	64 Å²	64	44.8 Å²	44.8	53%	0.529	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-36.9	177	0	0	0	0	0	112.7	E279 T285	E279-A281 PolarHBondContact O-N 2.98Å; A281-T285 WeakPolarHBondContact O-CB 3.15Å; A281-T285 PolarHBondContact O-N 2.73Å; A281-T285 PolarHBondContact O-OG1 3.28Å
282	A	94.3	Very high	92.4	Very high	30 Å²	30	50.8 Å²	50.8	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-71.5	-41	176.2	0	0	0	0	0	111.2	F242 C278 E279 K284 T285 A286	F242-A282 HydrophobicContact CD2-CB 4.11Å; F242-A282 HydrophobicContact CE2-CB 3.98Å; F242-A282 WeakPolarHBondContact CE2-O 3.35Å; C278-A282 WeakPolarHBondContact SG-CB 3.46Å; E279-A282 WeakPolarHBondContact O-CA 3.24Å; E279-A282 WeakPolarHBondContact O-CB 3.44Å; E279-A282 PolarHBondContact O-N 2.58Å; A282-K284 PolarHBondContact O-N 3.39Å; A282-T285 PolarHBondContact O-N 3.43Å; A282-T285 VanDerWaalsContact O-N 3.17Å; A282-A286 PolarHBondContact O-N 2.74Å
283	V	96.3	Very high	92.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.5	-50.5	171.8	170.6	0	0	0	0	110.8	L271 A273 C278 E279 P280 T285 A286 Y287 L344 Y347	L271-V283 HydrophobicContact CD2-CB 4.46Å; L271-V283 HydrophobicContact CD2-CG1 4.08Å; L271-V283 HydrophobicContact CD2-CG2 4.42Å; A273-V283 HydrophobicContact CB-CG2 4.42Å; C278-V283 HydrophobicContact CB-CG2 3.93Å; E279-V283 PolarHBondContact O-N 3.24Å; P280-V283 PolarHBondContact O-N 2.72Å; V283-T285 VanDerWaalsContact C-N 3.31Å; V283-T285 PolarHBondContact O-N 3.17Å; V283-A286 PolarHBondContact O-N 3.41Å; V283-Y287 PolarHBondContact O-N 2.96Å; V283-L344 HydrophobicContact CG1-CD1 3.79Å; V283-Y347 HydrophobicContact CB-CD2 4.37Å; V283-Y347 HydrophobicContact CG1-CD2 4.29Å; V283-Y347 HydrophobicContact CG2-CD2 4.22Å
284	K	97.4	Very high	92.8	Very high	76 Å²	76	50.8 Å²	50.8	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-39.1	177.2	-173.6	170.3	-169	164.2	0	112.6	P280 A282 R288	P280-K284 WeakPolarHBondContact O-CB 3.3Å; P280-K284 PolarHBondContact O-N 3.06Å; A282-K284 PolarHBondContact O-N 3.39Å; K284-R288 VanDerWaalsContact CE-CZ 3.5Å; K284-R288 VanDerWaalsContact CE-NH2 3.26Å; K284-R288 WeakPolarHBondContact O-CG 3.45Å; K284-R288 PolarHBondContact O-N 3Å
285	T	95.8	Very high	93.3	Very high	64 Å²	64	50.6 Å²	50.6	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-50.2	177.7	-61.9	0	0	0	0	110.4	A281 A282 V283 Y287 R288 L289	A281-T285 WeakPolarHBondContact O-CB 3.15Å; A281-T285 PolarHBondContact O-N 2.73Å; A281-T285 PolarHBondContact O-OG1 3.28Å; A282-T285 PolarHBondContact O-N 3.43Å; A282-T285 VanDerWaalsContact O-N 3.17Å; V283-T285 VanDerWaalsContact C-N 3.31Å; V283-T285 PolarHBondContact O-N 3.17Å; T285-Y287 PolarHBondContact O-N 3.12Å; T285-R288 PolarHBondContact O-N 3.19Å; T285-R288 VanDerWaalsContact O-N 3.13Å; T285-L289 HydrophobicContact CG2-CD1 3.85Å; T285-L289 HydrophobicContact CG2-CG 4.16Å; T285-L289 VanDerWaalsContact O-CG 3.28Å; T285-L289 WeakPolarHBondContact O-CG 3.49Å; T285-L289 PolarHBondContact O-N 3.27Å
286	A	95.7	Very high	94	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-50.4	177.1	0	0	0	0	0	111.4	I241 F242 Y269 L271 A282 V283 R288 L289 C290	I241-A286 HydrophobicContact CG2-CB 4.47Å; F242-A286 HydrophobicContact CE2-CB 3.86Å; F242-A286 HydrophobicContact CZ-CB 3.95Å; Y269-A286 HydrophobicContact CE2-CB 3.97Å; Y269-A286 PolarHBondContact OH-O 2.84Å; L271-A286 HydrophobicContact CD1-CB 4.25Å; L271-A286 HydrophobicContact CD2-CB 4.34Å; A282-A286 PolarHBondContact O-N 2.74Å; V283-A286 PolarHBondContact O-N 3.41Å; A286-R288 VanDerWaalsContact C-N 3.32Å; A286-R288 PolarHBondContact O-N 3.46Å; A286-L289 PolarHBondContact O-N 3.03Å; A286-C290 PolarHBondContact O-N 3.16Å
287	Y	96.6	Very high	94.6	Very high	53 Å²	53	43.5 Å²	43.5	21%	0.208	22%	0.221	C	C	.	.	H	α-helix	trans	-52.6	-46.9	175.6	165.7	-114.7	0	0	0	112.6	V283 T285 L289 P291 C350 Y354	V283-Y287 PolarHBondContact O-N 2.96Å; T285-Y287 PolarHBondContact O-N 3.12Å; Y287-L289 PolarHBondContact O-N 3.37Å; Y287-P291 HydrophobicContact CD2-CB 4.06Å; Y287-P291 HydrophobicContact CE2-CB 3.95Å; Y287-P291 WeakPolarHBondContact O-CA 3.48Å; Y287-P291 WeakPolarHBondContact O-CB 3.01Å; Y287-P291 VanDerWaalsContact O-CD 3.23Å; Y287-P291 WeakPolarHBondContact O-CD 3.08Å; Y287-C350 HydrophobicContact CD2-CB 4.26Å; Y287-C350 HydrophobicContact CE1-CB 3.99Å; Y287-C350 HydrophobicContact CE2-CB 3.66Å; Y287-C350 VanDerWaalsContact CZ-CB 3.5Å; Y287-Y354 HydrophobicContact CD2-CD1 4.37Å; Y287-Y354 AromaticContact CD2-CE1 3.47Å; Y287-Y354 HydrophobicContact CD2-CE1 3.47Å; Y287-Y354 VanDerWaalsContact CD2-CE1 3.47Å; Y287-Y354 AromaticContact CD2-CZ 3.61Å; Y287-Y354 WeakPolarHBondContact CD2-OH 3.41Å; Y287-Y354 AromaticContact CE2-CD1 3.94Å; Y287-Y354 HydrophobicContact CE2-CD1 3.94Å; Y287-Y354 AromaticContact CE2-CE1 3.41Å; Y287-Y354 HydrophobicContact CE2-CE1 3.41Å; Y287-Y354 VanDerWaalsContact CE2-CE1 3.41Å; Y287-Y354 HydrophobicContact CE2-CE2 4.17Å; Y287-Y354 AromaticContact CE2-CZ 3.55Å
288	R	96.1	Very high	95.2	Very high	169 Å²	169	42.7 Å²	42.7	64%	0.638	22%	0.217	S	C	*	.	H	α-helix	trans	-69.6	-32.6	-178.8	-73.9	178.1	172	-165.7	-6.8	113.5	K284 T285 A286	K284-R288 VanDerWaalsContact CE-CZ 3.5Å; K284-R288 VanDerWaalsContact CE-NH2 3.26Å; K284-R288 WeakPolarHBondContact O-CG 3.45Å; K284-R288 PolarHBondContact O-N 3Å; T285-R288 PolarHBondContact O-N 3.19Å; T285-R288 VanDerWaalsContact O-N 3.13Å; A286-R288 VanDerWaalsContact C-N 3.32Å; A286-R288 PolarHBondContact O-N 3.46Å
289	L	93.8	Very high	95.2	Very high	35 Å²	35	43 Å²	43	18%	0.183	22%	0.219	C	C	.	.	H	α-helix	trans	-72.2	-45.6	-176.8	-71	179.9	0	0	0	112.1	L259 M260 R264 T285 A286 Y287	L259-L289 HydrophobicContact CB-CB 4.1Å; L259-L289 HydrophobicContact CB-CD1 4.49Å; M260-L289 HydrophobicContact CG-CD1 4.34Å; M260-L289 HydrophobicContact CG-CD2 3.68Å; M260-L289 HydrophobicContact CG-CG 4.49Å; M260-L289 HydrophobicContact SD-CD1 4.44Å; M260-L289 HydrophobicContact SD-CD2 3.89Å; R264-L289 PolarHBondContact NH1-O 3.26Å; T285-L289 HydrophobicContact CG2-CD1 3.85Å; T285-L289 HydrophobicContact CG2-CG 4.16Å; T285-L289 VanDerWaalsContact O-CG 3.28Å; T285-L289 WeakPolarHBondContact O-CG 3.49Å; T285-L289 PolarHBondContact O-N 3.27Å; A286-L289 PolarHBondContact O-N 3.03Å; Y287-L289 PolarHBondContact O-N 3.37Å
290	C	95.7	Very high	94.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.034	19%	0.189	C	C	.	.			trans	-150.3	69.5	-176.1	-168.1	0	0	0	0	113	L259 R264 Y269 A286 R292 G293	L259-C290 HydrophobicContact CB-CB 4.14Å; L259-C290 HydrophobicContact CD2-CB 4.07Å; R264-C290 PolarHBondContact O-SG 2.71Å; Y269-C290 HydrophobicContact CE1-CB 3.77Å; Y269-C290 VanDerWaalsContact CE1-O 3.25Å; Y269-C290 WeakPolarHBondContact CE1-O 3.17Å; Y269-C290 PolarHBondContact OH-O 3.07Å; A286-C290 PolarHBondContact O-N 3.16Å; C290-R292 VanDerWaalsContact C-N 3.26Å; C290-R292 PolarHBondContact O-N 3.06Å; C290-R292 VanDerWaalsContact O-N 3.14Å; C290-G293 PolarHBondContact O-N 2.99Å
291	P	95.4	Very high	93.4	Very high	53 Å²	53	35.5 Å²	35.5	34%	0.344	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-57.6	-37.8	-173.7	22.2	-32	0	0	0	112.9	Y287 G293 L294 Y354	Y287-P291 HydrophobicContact CD2-CB 4.06Å; Y287-P291 HydrophobicContact CE2-CB 3.95Å; Y287-P291 WeakPolarHBondContact O-CA 3.48Å; Y287-P291 WeakPolarHBondContact O-CB 3.01Å; Y287-P291 VanDerWaalsContact O-CD 3.23Å; Y287-P291 WeakPolarHBondContact O-CD 3.08Å; P291-G293 PolarHBondContact O-N 3.42Å; P291-G293 VanDerWaalsContact O-N 3.15Å; P291-L294 PolarHBondContact O-N 3.03Å; P291-Y354 VanDerWaalsContact C-OH 3.31Å; P291-Y354 WeakPolarHBondContact CA-OH 3.2Å; P291-Y354 HydrophobicContact CB-CE2 3.92Å; P291-Y354 WeakPolarHBondContact CB-OH 3.45Å; P291-Y354 PolarHBondContact O-OH 3.16Å
292	R	94.2	Very high	91.7	Very high	127 Å²	127	32.6 Å²	32.6	48%	0.479	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60.2	-28.2	178.8	-160.2	-171.3	103.1	87.7	4.2	114	S265 C290	S265-R292 VanDerWaalsContact O-CZ 3.23Å; S265-R292 PolarHBondContact O-NE 3.21Å; S265-R292 PolarHBondContact O-NH2 2.84Å; C290-R292 VanDerWaalsContact C-N 3.26Å; C290-R292 PolarHBondContact O-N 3.06Å; C290-R292 VanDerWaalsContact O-N 3.14Å
293	G	96.5	Very high	89.9	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.021	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-92	-10.5	-175.4	0	0	0	0	0	114.2	I267 Y268 Y269 C290 P291 M295	I267-G293 WeakPolarHBondContact O-CA 3.44Å; Y268-G293 CarbonylContact C-O 3.6Å; Y268-G293 WeakPolarHBondContact CA-O 3.41Å; Y269-G293 WeakPolarHBondContact CD1-O 3.29Å; Y269-G293 PolarHBondContact N-O 3.42Å; C290-G293 PolarHBondContact O-N 2.99Å; P291-G293 PolarHBondContact O-N 3.42Å; P291-G293 VanDerWaalsContact O-N 3.15Å; G293-M295 PolarHBondContact O-N 3.4Å
294	L	98.2	Very high	87.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.6	-170.7	-163.9	156.5	0	0	0	110.9	Y269 L271 P291 L296 L344 C358 H362	Y269-L294 HydrophobicContact CE1-CB 4.31Å; Y269-L294 HydrophobicContact CE2-CB 3.91Å; Y269-L294 HydrophobicContact CE2-CD1 4.18Å; Y269-L294 HydrophobicContact CE2-CG 3.76Å; Y269-L294 WeakPolarHBondContact OH-CB 3.33Å; L271-L294 HydrophobicContact CB-CD2 4.39Å; L271-L294 HydrophobicContact CB-CG 4.4Å; L271-L294 HydrophobicContact CD2-CD1 3.78Å; L271-L294 HydrophobicContact CD2-CD2 4.22Å; L271-L294 HydrophobicContact CD2-CG 4.13Å; P291-L294 PolarHBondContact O-N 3.03Å; L294-L296 HydrophobicContact CD2-CD2 4.31Å; L294-L296 HydrophobicContact CD2-CG 4.27Å; L294-L344 HydrophobicContact CD1-CD1 4.14Å; L294-L344 HydrophobicContact CD2-CD2 3.89Å; L294-C358 HydrophobicContact CD2-CB 3.77Å; L294-H362 WeakPolarHBondContact O-CB 3.18Å; L294-H362 PolarHBondContact O-ND1 2.87Å
295	M	98.4	Very high	85.5	Confident	7 Å²	7	37.3 Å²	37.3	3%	0.034	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.5	169.1	-57	179.1	-58.3	0	0	108.6	L76 Y268 Y269 G270 L271 G293 C358 H362 P363 F366	L76-M295 HydrophobicContact CD1-CE 4.16Å; L76-M295 HydrophobicContact CD1-SD 3.86Å; Y268-M295 HydrophobicContact CD1-CG 4.1Å; Y268-M295 HydrophobicContact CD1-SD 3.98Å; Y268-M295 HydrophobicContact CG-SD 4.29Å; Y269-M295 PolarHBondContact O-N 2.89Å; G270-M295 CarbonylContact C-O 3.47Å; G270-M295 WeakPolarHBondContact CA-O 3.46Å; L271-M295 PolarHBondContact N-O 3.32Å; G293-M295 PolarHBondContact O-N 3.4Å; M295-C358 WeakPolarHBondContact CA-O 3.29Å; M295-H362 HydrophobicContact CG-CB 4.05Å; M295-P363 HydrophobicContact SD-CB 4.3Å; M295-F366 HydrophobicContact CE-CB 4.31Å; M295-F366 HydrophobicContact CE-CD1 3.89Å; M295-F366 HydrophobicContact CE-CD2 4.48Å; M295-F366 HydrophobicContact CE-CE1 4.3Å; M295-F366 HydrophobicContact CE-CG 3.97Å; M295-F366 HydrophobicContact SD-CB 3.36Å; M295-F366 WeakPolarHBondContact SD-CB 3.42Å; M295-F366 HydrophobicContact SD-CD1 3.85Å; M295-F366 HydrophobicContact SD-CG 3.68Å
296	L	98.2	Very high	82.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.7	168.9	-72.4	174.2	0	0	0	109.2	A273 L294 M337 V341 L344 C358 A359	A273-L296 HydrophobicContact CB-CD2 3.58Å; L294-L296 HydrophobicContact CD2-CD2 4.31Å; L294-L296 HydrophobicContact CD2-CG 4.27Å; L296-M337 HydrophobicContact CB-SD 3.72Å; L296-V341 HydrophobicContact CD1-CB 4.34Å; L296-V341 HydrophobicContact CD1-CG2 3.75Å; L296-L344 HydrophobicContact CD1-CB 4.33Å; L296-L344 HydrophobicContact CD1-CD2 3.93Å; L296-L344 HydrophobicContact CD2-CB 4.34Å; L296-L344 HydrophobicContact CD2-CD2 4.13Å; L296-L344 HydrophobicContact CG-CD2 4.09Å; L296-C358 HydrophobicContact CD1-CB 4.31Å; L296-C358 HydrophobicContact CG-CB 4.11Å; L296-C358 PolarHBondContact N-O 2.96Å; L296-A359 HydrophobicContact CB-CB 4.4Å; L296-A359 HydrophobicContact CD1-CB 4.3Å
297	V	96.8	Very high	80	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	23%	0.234	C	C	.	.			trans	-136.1	141.3	173.4	-66.4	0	0	0	0	108	L76 Q77 L271 I272	L76-V297 HydrophobicContact CB-CG1 4.3Å; Q77-V297 HydrophobicContact CB-CB 3.93Å; Q77-V297 HydrophobicContact CB-CG1 4.18Å; Q77-V297 HydrophobicContact CB-CG2 4.42Å; L271-V297 PolarHBondContact O-N 2.71Å; I272-V297 HydrophobicContact CG1-CG2 4.06Å
298	T	92.1	Very high	77.1	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.08	24%	0.238	C	C	.	.			trans	-79.1	-31.9	178.4	60.8	0	0	0	0	111.7	D75 E300 F334 M337	D75-T298 PolarHBondContact OD1-N 2.77Å; D75-T298 WeakPolarHBondContact OD2-CB 3.28Å; D75-T298 WeakPolarHBondContact OD2-CG2 3.19Å; D75-T298 PolarHBondContact OD2-N 2.77Å; D75-T298 PolarHBondContact OD2-OG1 3.44Å; T298-E300 PolarHBondContact O-N 2.63Å; T298-E300 WeakPolarHBondContact OG1-CB 3.12Å; T298-E300 PolarHBondContact OG1-N 2.79Å; T298-E300 VanDerWaalsContact OG1-N 3.11Å; T298-F334 HydrophobicContact CG2-CE2 4.3Å; T298-M337 HydrophobicContact CG2-CB 4.09Å; T298-M337 HydrophobicContact CG2-CE 3.99Å
299	N	85.9	Confident	74.3	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.048	21%	0.212	C	C	.	.			trans	53	34	-166.2	-171.3	47.6	0	0	0	110.8	Q77 K79 I272 A301	Q77-N299 HydrophobicContact CG-CB 4.39Å; Q77-N299 PolarHBondContact NE2-OD1 3.27Å; Q77-N299 WeakPolarHBondContact O-CA 3.3Å; Q77-N299 PolarHBondContact O-N 2.76Å; K79-N299 WeakPolarHBondContact CD-OD1 3.06Å; K79-N299 WeakPolarHBondContact CE-OD1 3.28Å; K79-N299 PolarHBondContact NZ-OD1 3.35Å; I272-N299 HydrophobicContact CD1-CB 3.47Å; I272-N299 VanDerWaalsContact CD1-CB 3.47Å; I272-N299 WeakPolarHBondContact CD1-ND2 3.4Å; I272-N299 HydrophobicContact CG1-CB 3.84Å; N299-A301 PolarHBondContact O-N 3.14Å
300	E	79.1	Confident	71.5	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.023	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-58.3	129	-177.4	-177.5	175.9	-178.6	0	0	110.1	K79 G80 S81 T298 F334	K79-E300 CarbonylContact C-O 3.54Å; K79-E300 WeakPolarHBondContact CA-O 3.01Å; K79-E300 VanDerWaalsContact CB-O 3.29Å; K79-E300 WeakPolarHBondContact CB-O 3.19Å; K79-E300 PolarHBondContact N-O 2.78Å; G80-E300 PolarHBondContact N-O 3.08Å; G80-E300 VanDerWaalsContact N-O 3.14Å; G80-E300 VanDerWaalsContact O-CG 3.28Å; G80-E300 WeakPolarHBondContact O-CG 3.25Å; S81-E300 WeakPolarHBondContact CA-OE1 3.32Å; S81-E300 WeakPolarHBondContact CB-OE1 3.48Å; S81-E300 PolarHBondContact OG-OE1 2.69Å; T298-E300 PolarHBondContact O-N 2.63Å; T298-E300 WeakPolarHBondContact OG1-CB 3.12Å; T298-E300 PolarHBondContact OG1-N 2.79Å; T298-E300 VanDerWaalsContact OG1-N 3.11Å; E300-F334 HydrophobicContact CB-CD2 3.62Å; E300-F334 HydrophobicContact CB-CE2 3.67Å; E300-F334 VanDerWaalsContact CD-CD2 3.44Å; E300-F334 HydrophobicContact CG-CD2 3.27Å; E300-F334 HydrophobicContact CG-CE2 3.48Å; E300-F334 VanDerWaalsContact CG-CE2 3.48Å; E300-F334 HydrophobicContact CG-CG 4.05Å; E300-F334 HydrophobicContact CG-CZ 4.39Å; E300-F334 WeakPolarHBondContact OE2-CE2 3.46Å; E300-F334 WeakPolarHBondContact OE2-CZ 3.5Å
301	A	69.7	Low	68.8	Low	29 Å²	29	39.2 Å²	39.2	24%	0.24	24%	0.235	C	C	.	.			trans	-128.5	157.6	179	0	0	0	0	0	109.8	K79 N299 Y305	K79-A301 HydrophobicContact CB-CB 4.39Å; N299-A301 PolarHBondContact O-N 3.14Å; A301-Y305 HydrophobicContact CB-CD2 3.71Å; A301-Y305 HydrophobicContact CB-CE2 4.17Å; A301-Y305 HydrophobicContact CB-CG 4.17Å
302	A	60.1	Low	66.1	Low	4 Å²	4	38.8 Å²	38.8	3%	0.033	23%	0.234	C	C	.	.			trans	-60.4	147.8	172	0	0	0	0	0	111.2	S82 I84 N85 S304 Y305	S82-A302 CarbonylContact O-C 3.33Å; S82-A302 WeakPolarHBondContact O-CA 3.5Å; I84-A302 VanDerWaalsContact C-CB 3.48Å; I84-A302 VanDerWaalsContact O-CB 3.26Å; I84-A302 WeakPolarHBondContact O-CB 3.24Å; N85-A302 HydrophobicContact CB-CB 3.81Å; A302-S304 WeakPolarHBondContact CB-OG 3.42Å; A302-S304 PolarHBondContact O-N 3.15Å; A302-S304 VanDerWaalsContact O-N 3.13Å; A302-Y305 HydrophobicContact CB-CD2 4.04Å; A302-Y305 HydrophobicContact CB-CE2 4.49Å; A302-Y305 WeakPolarHBondContact O-CB 3.27Å; A302-Y305 PolarHBondContact O-N 3.24Å
303	A	55.3	Low	63.5	Low	84 Å²	84	38.4 Å²	38.4	69%	0.694	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.1	168.1	0	0	0	0	0	112.7	S82 Y305	S82-A303 PolarHBondContact O-N 3.4Å; A303-Y305 VanDerWaalsContact C-N 3.27Å
304	S	49.9	Very low	60.8	Low	77 Å²	77	43.5 Å²	43.5	54%	0.538	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.4	173.1	61.4	0	0	0	0	113.8	A302	A302-S304 WeakPolarHBondContact CB-OG 3.42Å; A302-S304 PolarHBondContact O-N 3.15Å; A302-S304 VanDerWaalsContact O-N 3.13Å
305	Y	51.6	Low	58.3	Low	43 Å²	43	45.9 Å²	45.9	17%	0.169	29%	0.294	C	S	.	.	S	Bend	trans	-65.2	125.7	163	-84.2	-88.8	0	0	0	107.8	N85 S87 M117 A301 A302 A303 E307	N85-Y305 HydrophobicContact CB-CE2 4.12Å; N85-Y305 VanDerWaalsContact ND2-CE2 3.32Å; N85-Y305 WeakPolarHBondContact ND2-CE2 3.15Å; N85-Y305 WeakPolarHBondContact OD1-CE2 3.49Å; N85-Y305 PolarHBondContact OD1-OH 2.71Å; S87-Y305 WeakPolarHBondContact CB-OH 3.25Å; M117-Y305 HydrophobicContact CE-CE1 4.34Å; M117-Y305 HydrophobicContact SD-CE1 3.47Å; M117-Y305 WeakPolarHBondContact SD-CE1 3.27Å; M117-Y305 PolarHBondContact SD-OH 3.12Å; M117-Y305 VanDerWaalsContact SD-OH 3.35Å; A301-Y305 HydrophobicContact CB-CD2 3.71Å; A301-Y305 HydrophobicContact CB-CE2 4.17Å; A301-Y305 HydrophobicContact CB-CG 4.17Å; A302-Y305 HydrophobicContact CB-CD2 4.04Å; A302-Y305 HydrophobicContact CB-CE2 4.49Å; A302-Y305 WeakPolarHBondContact O-CB 3.27Å; A302-Y305 PolarHBondContact O-N 3.24Å; A303-Y305 VanDerWaalsContact C-N 3.27Å; Y305-E307 PolarHBondContact O-N 3.48Å
306	P	41.1	Very low	55.9	Low	69 Å²	69	54.8 Å²	54.8	45%	0.448	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-55.2	119.9	-176.1	17.4	-28	0	0	0	109.8	G308 G309	P306-G308 PolarHBondContact O-N 2.73Å; P306-G308 VanDerWaalsContact O-N 3.14Å; P306-G309 PolarHBondContact O-N 3.46Å
307	E	35	Very low	53.7	Low	145 Å²	145	55.6 Å²	55.6	68%	0.678	34%	0.341	S	S	*	.	S	Bend	trans	-54.6	118.4	173.1	-58.3	-162.3	131.7	0	0	108.6	Y305 S332	Y305-E307 PolarHBondContact O-N 3.48Å; E307-S332 VanDerWaalsContact CG-CB 3.46Å; E307-S332 WeakPolarHBondContact CG-OG 3.4Å; E307-S332 WeakPolarHBondContact OE1-CB 3.44Å; E307-S332 PolarHBondContact OE1-OG 3.17Å
308	G	36.2	Very low	51.8	Low	29 Å²	29	59.2 Å²	59.2	30%	0.299	36%	0.36	S	S	.	.	S	Bend	trans	57.9	77.3	-172.8	0	0	0	0	0	110.2	P306 T310	P306-G308 PolarHBondContact O-N 2.73Å; P306-G308 VanDerWaalsContact O-N 3.14Å; G308-T310 PolarHBondContact O-N 3.24Å
309	G	38	Very low	50.1	Low	7 Å²	7	63.5 Å²	63.5	7%	0.072	39%	0.388	C	S	.	.			trans	-32.3	103.8	-167.4	0	0	0	0	0	111.8	P306 V311 L326 T329	P306-G309 PolarHBondContact O-N 3.46Å; G309-V311 PolarHBondContact O-N 3.15Å; G309-L326 WeakPolarHBondContact O-CD2 3.33Å; G309-T329 PolarHBondContact N-OG1 3.26Å
310	T	34.6	Very low	48.8	Very low	104 Å²	104	71.6 Å²	71.6	64%	0.638	42%	0.418	S	S	*	.			trans	-64.4	93.2	171.1	39.5	0	0	0	0	105.3	G308 S312	G308-T310 PolarHBondContact O-N 3.24Å; T310-S312 PolarHBondContact O-N 3.49Å
311	V	38.5	Very low	47.6	Very low	12 Å²	12	73.1 Å²	73.1	7%	0.073	43%	0.425	C	S	.	.			trans	-48.8	105.4	152.1	173.2	0	0	0	0	102.5	G309 S313 D315 K322 N325	G309-V311 PolarHBondContact O-N 3.15Å; V311-S313 PolarHBondContact O-N 3.28Å; V311-D315 HydrophobicContact CG1-CB 3.52Å; V311-K322 HydrophobicContact CB-CD 4Å; V311-K322 HydrophobicContact CB-CG 3.8Å; V311-K322 HydrophobicContact CG1-CB 4.37Å; V311-K322 HydrophobicContact CG1-CD 3.72Å; V311-K322 HydrophobicContact CG1-CG 3.8Å; V311-K322 HydrophobicContact CG2-CG 4.05Å; V311-K322 WeakPolarHBondContact O-CE 3.25Å; V311-K322 PolarHBondContact O-NZ 2.7Å; V311-N325 HydrophobicContact CG2-CB 4.22Å
312	S	38.5	Very low	46.9	Very low	45 Å²	45	74.7 Å²	74.7	32%	0.315	43%	0.426	S	S	.	.			trans	-42.8	140.9	-172	173.4	0	0	0	0	107.9	T310 T314 D315 K322	T310-S312 PolarHBondContact O-N 3.49Å; S312-T314 WeakPolarHBondContact CB-OG1 3.24Å; S312-T314 PolarHBondContact O-N 3.42Å; S312-T314 PolarHBondContact OG-N 3.12Å; S312-T314 VanDerWaalsContact OG-N 3.1Å; S312-T314 PolarHBondContact OG-OG1 3.05Å; S312-D315 PolarHBondContact O-N 2.82Å; S312-K322 PolarHBondContact O-NZ 3.35Å
313	S	39.7	Very low	46.7	Very low	119 Å²	119	79.2 Å²	79.2	83%	0.832	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-13.6	170.4	49.7	0	0	0	0	112.1	V311	V311-S313 PolarHBondContact O-N 3.28Å
314	T	40.2	Very low	46.7	Very low	109 Å²	109	78.5 Å²	78.5	67%	0.669	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.6	173.2	70.1	0	0	0	0	115.2	S312 E316	S312-T314 WeakPolarHBondContact CB-OG1 3.24Å; S312-T314 PolarHBondContact O-N 3.42Å; S312-T314 PolarHBondContact OG-N 3.12Å; S312-T314 VanDerWaalsContact OG-N 3.1Å; S312-T314 PolarHBondContact OG-OG1 3.05Å; T314-E316 PolarHBondContact O-N 3.16Å; T314-E316 VanDerWaalsContact O-N 3.16Å
315	D	46	Very low	46.9	Very low	49 Å²	49	74.9 Å²	74.9	26%	0.262	41%	0.405	S	S	.	.			trans	-75.8	102.6	171.9	-84.7	-12.2	0	0	0	108	R159 V311 S312 C317	R159-D315 IonicContact NH2-OD2 2.84Å; V311-D315 HydrophobicContact CG1-CB 3.52Å; S312-D315 PolarHBondContact O-N 2.82Å; D315-C317 PolarHBondContact O-N 3.41Å
316	E	47	Very low	47	Very low	194 Å²	194	76.2 Å²	76.2	91%	0.907	42%	0.415	S	S	*	.			trans	-67	60.6	166.8	-68.4	-173.1	164.6	0	0	110.7	T314	T314-E316 PolarHBondContact O-N 3.16Å; T314-E316 VanDerWaalsContact O-N 3.16Å
317	C	51.5	Low	47.5	Very low	18 Å²	18	82 Å²	82	12%	0.122	43%	0.428	C	S	.	.			trans	-91.7	149.4	169.7	-90.5	0	0	0	0	110.7	R164 D315 E321	R164-C317 PolarHBondContact NH1-SG 2.93Å; R164-C317 PolarHBondContact NH2-SG 3.4Å; D315-C317 PolarHBondContact O-N 3.41Å; C317-E321 HydrophobicContact CB-CB 4.42Å; C317-E321 VanDerWaalsContact SG-CD 3.54Å; C317-E321 PolarHBondContact SG-OE2 2.94Å
318	D	58	Low	48.2	Very low	80 Å²	80	76.5 Å²	76.5	43%	0.428	40%	0.403	S	S	.	.			trans	-51.1	132.1	165.7	-177.2	-32.9	0	0	0	108.8	R320 E321 K322	D318-R320 PolarHBondContact O-N 3.05Å; D318-R320 WeakPolarHBondContact OD1-CB 3.46Å; D318-R320 PolarHBondContact OD1-N 2.58Å; D318-R320 IonicContact OD1-NE 3.48Å; D318-E321 HydrophobicContact CB-CB 4.25Å; D318-E321 WeakPolarHBondContact O-CA 3.37Å; D318-E321 WeakPolarHBondContact O-CB 3.46Å; D318-E321 PolarHBondContact O-N 3.27Å; D318-K322 PolarHBondContact O-N 3.37Å
319	P	57.4	Low	48.8	Very low	102 Å²	102	75.5 Å²	75.5	66%	0.662	39%	0.391	S	S	*	.	H	α-helix	trans	-47	-34.4	175.1	-28.5	33	0	0	0	114.1	K322 E323	P319-K322 PolarHBondContact O-N 2.84Å; P319-E323 PolarHBondContact O-N 3.36Å
320	R	57.2	Low	49.3	Very low	180 Å²	180	76.8 Å²	76.8	68%	0.679	40%	0.398	S	S	*	.	H	α-helix	trans	-68.6	-39.9	175.9	-75.2	-176.7	-90.1	-169.2	-11.2	112.7	D318 K322 I324	D318-R320 PolarHBondContact O-N 3.05Å; D318-R320 WeakPolarHBondContact OD1-CB 3.46Å; D318-R320 PolarHBondContact OD1-N 2.58Å; D318-R320 IonicContact OD1-NE 3.48Å; R320-K322 VanDerWaalsContact C-N 3.3Å; R320-I324 WeakPolarHBondContact O-CB 3.13Å; R320-I324 WeakPolarHBondContact O-CD1 3.43Å; R320-I324 WeakPolarHBondContact O-CG1 3.19Å; R320-I324 PolarHBondContact O-N 2.92Å
321	E	53.8	Low	50	Low	36 Å²	36	75.5 Å²	75.5	17%	0.168	39%	0.389	C	S	.	.	H	α-helix	trans	-66.2	-38.2	174.8	-161.1	-166	161.4	0	0	110.4	R164 C317 D318 N325	R164-E321 IonicContact CZ-OE1 2.8Å; R164-E321 IonicContact CZ-OE2 3.54Å; R164-E321 IonicContact NH2-OE1 2.7Å; R164-E321 PolarHBondContact NH2-OE1 2.84Å; R164-E321 IonicContact NH2-OE2 3.95Å; R164-E321 PolarHBondContact NH2-OE2 3.36Å; C317-E321 HydrophobicContact CB-CB 4.42Å; C317-E321 VanDerWaalsContact SG-CD 3.54Å; C317-E321 PolarHBondContact SG-OE2 2.94Å; D318-E321 HydrophobicContact CB-CB 4.25Å; D318-E321 WeakPolarHBondContact O-CA 3.37Å; D318-E321 WeakPolarHBondContact O-CB 3.46Å; D318-E321 PolarHBondContact O-N 3.27Å; E321-N325 WeakPolarHBondContact O-CB 3.29Å; E321-N325 VanDerWaalsContact O-CG 3.31Å; E321-N325 PolarHBondContact O-N 2.9Å; E321-N325 PolarHBondContact O-ND2 3.42Å; E321-N325 VanDerWaalsContact O-ND2 3.07Å
322	K	56.2	Low	50.2	Low	62 Å²	62	77.7 Å²	77.7	27%	0.27	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-46.9	176	-173.3	159	-176	153.3	0	112	V311 S312 D318 P319 R320 N325 L326	V311-K322 HydrophobicContact CB-CD 4Å; V311-K322 HydrophobicContact CB-CG 3.8Å; V311-K322 HydrophobicContact CG1-CB 4.37Å; V311-K322 HydrophobicContact CG1-CD 3.72Å; V311-K322 HydrophobicContact CG1-CG 3.8Å; V311-K322 HydrophobicContact CG2-CG 4.05Å; V311-K322 WeakPolarHBondContact O-CE 3.25Å; V311-K322 PolarHBondContact O-NZ 2.7Å; S312-K322 PolarHBondContact O-NZ 3.35Å; D318-K322 PolarHBondContact O-N 3.37Å; P319-K322 PolarHBondContact O-N 2.84Å; R320-K322 VanDerWaalsContact C-N 3.3Å; K322-N325 PolarHBondContact O-N 3.04Å; K322-L326 HydrophobicContact CG-CD1 3.99Å; K322-L326 WeakPolarHBondContact O-CB 3.41Å; K322-L326 WeakPolarHBondContact O-CD1 3.49Å; K322-L326 WeakPolarHBondContact O-CG 3.48Å; K322-L326 PolarHBondContact O-N 3Å
323	E	55.2	Low	51	Low	99 Å²	99	77.6 Å²	77.6	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-43.3	177.2	-173.2	179	178.6	0	0	112.1	P319 L326 R327	P319-E323 PolarHBondContact O-N 3.36Å; E323-L326 PolarHBondContact O-N 3.32Å; E323-R327 WeakPolarHBondContact O-CG 3.43Å; E323-R327 PolarHBondContact O-N 3.49Å; E323-R327 VanDerWaalsContact O-N 3.08Å; E323-R327 IonicContact OE1-CZ 4Å; E323-R327 IonicContact OE1-NE 3.89Å; E323-R327 PolarHBondContact OE1-NE 3.19Å; E323-R327 IonicContact OE1-NH2 2.72Å; E323-R327 PolarHBondContact OE1-NH2 2.9Å
324	I	55.2	Low	52.6	Low	70 Å²	70	75.2 Å²	75.2	36%	0.359	39%	0.386	S	S	.	.	H	α-helix	trans	-60.8	-48.3	176.1	-69.8	165.7	0	0	0	110	R320 L326 R327 M328	R320-I324 WeakPolarHBondContact O-CB 3.13Å; R320-I324 WeakPolarHBondContact O-CD1 3.43Å; R320-I324 WeakPolarHBondContact O-CG1 3.19Å; R320-I324 PolarHBondContact O-N 2.92Å; I324-L326 PolarHBondContact O-N 3.4Å; I324-R327 PolarHBondContact O-N 2.7Å; I324-M328 HydrophobicContact CG2-CG 4.32Å; I324-M328 WeakPolarHBondContact O-CB 3.21Å; I324-M328 WeakPolarHBondContact O-CG 3.46Å; I324-M328 PolarHBondContact O-N 2.88Å; I324-M328 VanDerWaalsContact O-N 3.11Å
325	N	53.2	Low	54.6	Low	0 Å²	0	71 Å²	71	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-36.7	-178.1	-74	-37.8	0	0	0	112.7	G160 V311 E321 K322 M328 T329	G160-N325 PolarHBondContact N-OD1 2.73Å; G160-N325 VanDerWaalsContact N-OD1 3.13Å; V311-N325 HydrophobicContact CG2-CB 4.22Å; E321-N325 WeakPolarHBondContact O-CB 3.29Å; E321-N325 VanDerWaalsContact O-CG 3.31Å; E321-N325 PolarHBondContact O-N 2.9Å; E321-N325 PolarHBondContact O-ND2 3.42Å; E321-N325 VanDerWaalsContact O-ND2 3.07Å; K322-N325 PolarHBondContact O-N 3.04Å; N325-M328 CarbonylContact O-C 3.38Å; N325-M328 PolarHBondContact O-N 3.03Å; N325-M328 VanDerWaalsContact O-N 3.13Å; N325-T329 VanDerWaalsContact O-CG2 3.31Å; N325-T329 WeakPolarHBondContact O-CG2 3.25Å; N325-T329 PolarHBondContact O-N 3.46Å
326	L	54.3	Low	56.7	Low	71 Å²	71	70 Å²	70	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-40.2	174	-84.8	160.5	0	0	0	112.7	G309 K322 E323 I324 M328 T329	G309-L326 WeakPolarHBondContact O-CD2 3.33Å; K322-L326 HydrophobicContact CG-CD1 3.99Å; K322-L326 WeakPolarHBondContact O-CB 3.41Å; K322-L326 WeakPolarHBondContact O-CD1 3.49Å; K322-L326 WeakPolarHBondContact O-CG 3.48Å; K322-L326 PolarHBondContact O-N 3Å; E323-L326 PolarHBondContact O-N 3.32Å; I324-L326 PolarHBondContact O-N 3.4Å; L326-M328 PolarHBondContact O-N 3.08Å; L326-T329 PolarHBondContact O-OG1 3.15Å
327	R	51.5	Low	58.9	Low	191 Å²	191	60.8 Å²	60.8	72%	0.721	31%	0.313	S	S	*	.	H	α-helix	trans	-71.2	-21.3	174.6	-68.3	-177	-172.4	-155	5.6	112.9	E323 I324	E323-R327 WeakPolarHBondContact O-CG 3.43Å; E323-R327 PolarHBondContact O-N 3.49Å; E323-R327 VanDerWaalsContact O-N 3.08Å; E323-R327 IonicContact OE1-CZ 4Å; E323-R327 IonicContact OE1-NE 3.89Å; E323-R327 PolarHBondContact OE1-NE 3.19Å; E323-R327 IonicContact OE1-NH2 2.72Å; E323-R327 PolarHBondContact OE1-NH2 2.9Å; I324-R327 PolarHBondContact O-N 2.7Å
328	M	50.3	Low	60.9	Low	30 Å²	30	60.4 Å²	60.4	15%	0.148	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.9	-178.5	-66.1	-65.7	-139.2	0	0	113.4	K158 A244 M245 I324 N325 L326	K158-M328 HydrophobicContact CD-CE 4.35Å; A244-M328 PolarHBondContact N-SD 3Å; M245-M328 VanDerWaalsContact N-CE 3.31Å; I324-M328 HydrophobicContact CG2-CG 4.32Å; I324-M328 WeakPolarHBondContact O-CB 3.21Å; I324-M328 WeakPolarHBondContact O-CG 3.46Å; I324-M328 PolarHBondContact O-N 2.88Å; I324-M328 VanDerWaalsContact O-N 3.11Å; N325-M328 CarbonylContact O-C 3.38Å; N325-M328 PolarHBondContact O-N 3.03Å; N325-M328 VanDerWaalsContact O-N 3.13Å; L326-M328 PolarHBondContact O-N 3.08Å
329	T	48.1	Very low	62.6	Low	7 Å²	7	59 Å²	59	4%	0.043	30%	0.301	C	S	.	.	S	Bend	trans	-83.6	136.1	172	48.5	0	0	0	0	110.2	C161 G309 N325 L326 V331	C161-T329 HydrophobicContact CB-CG2 3.68Å; G309-T329 PolarHBondContact N-OG1 3.26Å; N325-T329 VanDerWaalsContact O-CG2 3.31Å; N325-T329 WeakPolarHBondContact O-CG2 3.25Å; N325-T329 PolarHBondContact O-N 3.46Å; L326-T329 PolarHBondContact O-OG1 3.15Å; T329-V331 PolarHBondContact O-N 3Å; T329-V331 VanDerWaalsContact O-N 3.15Å
330	P	49	Very low	64.4	Low	35 Å²	35	54.2 Å²	54.2	23%	0.227	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-52.9	123.7	177.6	-23.7	32	0	0	0	111.1	N277 S332	N277-P330 VanDerWaalsContact OD1-CA 3.28Å; N277-P330 WeakPolarHBondContact OD1-CA 3.47Å; P330-S332 PolarHBondContact O-N 2.96Å
331	V	48.6	Very low	66.3	Low	76 Å²	76	45.6 Å²	45.6	46%	0.461	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-65.3	129.4	172	-174.8	0	0	0	0	106.8	F276 T329 G333	F276-V331 HydrophobicContact CB-CB 4.18Å; T329-V331 PolarHBondContact O-N 3Å; T329-V331 VanDerWaalsContact O-N 3.15Å; V331-G333 PolarHBondContact O-N 3.04Å
332	S	43.1	Very low	68.4	Low	59 Å²	59	46.4 Å²	46.4	41%	0.413	24%	0.239	S	C	.	.	S	Bend	trans	-62.1	123.8	-174.4	64.1	0	0	0	0	110.7	E307 P330	E307-S332 VanDerWaalsContact CG-CB 3.46Å; E307-S332 WeakPolarHBondContact CG-OG 3.4Å; E307-S332 WeakPolarHBondContact OE1-CB 3.44Å; E307-S332 PolarHBondContact OE1-OG 3.17Å; P330-S332 PolarHBondContact O-N 2.96Å
333	G	55.3	Low	70.2	Confident	42 Å²	42	43.6 Å²	43.6	43%	0.433	23%	0.227	S	C	.	.			trans	155.6	82	-174.5	0	0	0	0	0	108.9	V331 V335	V331-G333 PolarHBondContact O-N 3.04Å; G333-V335 PolarHBondContact O-N 3.23Å; G333-V335 VanDerWaalsContact O-N 3.14Å
334	F	73.2	Confident	72.3	Confident	69 Å²	69	38.9 Å²	38.9	30%	0.303	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-58.9	119.8	172.1	163.7	-110.7	0	0	0	109.3	Y107 T298 E300 P336	Y107-F334 AromaticContact CD2-CE1 4Å; Y107-F334 HydrophobicContact CD2-CE1 4Å; Y107-F334 AromaticContact CD2-CZ 3.68Å; Y107-F334 HydrophobicContact CD2-CZ 3.68Å; Y107-F334 HydrophobicContact CE1-CE1 4.01Å; Y107-F334 AromaticContact CE2-CE1 3.43Å; Y107-F334 HydrophobicContact CE2-CE1 3.43Å; Y107-F334 VanDerWaalsContact CE2-CE1 3.43Å; Y107-F334 AromaticContact CE2-CZ 3.56Å; Y107-F334 HydrophobicContact CE2-CZ 3.56Å; Y107-F334 HydrophobicContact CG-CE1 4.49Å; Y107-F334 HydrophobicContact CG-CZ 4.22Å; Y107-F334 AromaticContact CZ-CE1 3.43Å; Y107-F334 VanDerWaalsContact CZ-CE1 3.43Å; T298-F334 HydrophobicContact CG2-CE2 4.3Å; E300-F334 HydrophobicContact CB-CD2 3.62Å; E300-F334 HydrophobicContact CB-CE2 3.67Å; E300-F334 VanDerWaalsContact CD-CD2 3.44Å; E300-F334 HydrophobicContact CG-CD2 3.27Å; E300-F334 HydrophobicContact CG-CE2 3.48Å; E300-F334 VanDerWaalsContact CG-CE2 3.48Å; E300-F334 HydrophobicContact CG-CG 4.05Å; E300-F334 HydrophobicContact CG-CZ 4.39Å; E300-F334 WeakPolarHBondContact OE2-CE2 3.46Å; E300-F334 WeakPolarHBondContact OE2-CZ 3.5Å; F334-P336 HydrophobicContact CD1-CG 4.31Å; F334-P336 HydrophobicContact CE1-CB 4.22Å; F334-P336 HydrophobicContact CE1-CG 3.65Å; F334-P336 HydrophobicContact CZ-CB 4.13Å; F334-P336 HydrophobicContact CZ-CG 4.06Å
335	V	82.7	Confident	74.3	Confident	21 Å²	21	37.1 Å²	37.1	13%	0.127	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-103	116	170.4	176.6	0	0	0	0	108	D274 G333 E339	D274-V335 HydrophobicContact CB-CB 3.81Å; D274-V335 HydrophobicContact CB-CG1 4.35Å; D274-V335 HydrophobicContact CB-CG2 3.42Å; D274-V335 VanDerWaalsContact CB-CG2 3.42Å; G333-V335 PolarHBondContact O-N 3.23Å; G333-V335 VanDerWaalsContact O-N 3.14Å; V335-E339 HydrophobicContact CG1-CB 3.67Å; V335-E339 HydrophobicContact CG1-CG 3.74Å
336	P	89.2	Confident	76.4	Confident	27 Å²	27	44.4 Å²	44.4	18%	0.175	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-56.8	150.8	175	-25.7	33.5	0	0	0	112.8	Y107 F334 V338 E339 S340	Y107-P336 HydrophobicContact CD1-CB 3.49Å; Y107-P336 VanDerWaalsContact CD1-CB 3.49Å; Y107-P336 HydrophobicContact CD1-CG 3.7Å; Y107-P336 HydrophobicContact CE1-CB 4.02Å; Y107-P336 HydrophobicContact CE1-CG 3.67Å; Y107-P336 HydrophobicContact CG-CB 3.9Å; Y107-P336 HydrophobicContact CG-CG 4.43Å; F334-P336 HydrophobicContact CD1-CG 4.31Å; F334-P336 HydrophobicContact CE1-CB 4.22Å; F334-P336 HydrophobicContact CE1-CG 3.65Å; F334-P336 HydrophobicContact CZ-CB 4.13Å; F334-P336 HydrophobicContact CZ-CG 4.06Å; P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 HydrophobicContact CB-CG1 4.17Å; P336-V338 PolarHBondContact O-N 2.86Å; P336-E339 WeakPolarHBondContact O-CA 3.3Å; P336-E339 PolarHBondContact O-N 2.95Å; P336-S340 PolarHBondContact O-N 2.92Å; P336-S340 PolarHBondContact O-OG 2.82Å
337	M	95	Very high	78.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-52.4	-42.2	178.8	-172.6	59.7	77.7	0	0	113	F73 D75 V109 L296 T298 E339 S340 V341 A359	F73-M337 HydrophobicContact CB-CB 4.49Å; F73-M337 HydrophobicContact CB-CG 3.68Å; F73-M337 HydrophobicContact CD1-CG 4.41Å; F73-M337 HydrophobicContact CD2-CB 3.86Å; F73-M337 HydrophobicContact CD2-CG 3.53Å; F73-M337 HydrophobicContact CE2-CB 4.49Å; F73-M337 HydrophobicContact CE2-CG 4.26Å; F73-M337 HydrophobicContact CG-CB 4.4Å; F73-M337 HydrophobicContact CG-CG 3.62Å; D75-M337 HydrophobicContact CB-CE 3.7Å; D75-M337 VanDerWaalsContact CG-CE 3.48Å; V109-M337 HydrophobicContact CG2-CB 3.7Å; V109-M337 HydrophobicContact CG2-CG 4.18Å; L296-M337 HydrophobicContact CB-SD 3.72Å; T298-M337 HydrophobicContact CG2-CB 4.09Å; T298-M337 HydrophobicContact CG2-CE 3.99Å; M337-E339 VanDerWaalsContact C-N 3.31Å; M337-E339 PolarHBondContact O-N 3.01Å; M337-S340 WeakPolarHBondContact O-CA 3.45Å; M337-S340 WeakPolarHBondContact O-CB 3.36Å; M337-S340 PolarHBondContact O-N 3.35Å; M337-S340 VanDerWaalsContact O-N 3.1Å; M337-V341 WeakPolarHBondContact O-CG2 3.47Å; M337-V341 PolarHBondContact O-N 3.13Å; M337-A359 HydrophobicContact CG-CB 4.03Å; M337-A359 HydrophobicContact SD-CB 3.9Å
338	V	93.4	Very high	80.6	Confident	11 Å²	11	34.7 Å²	34.7	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-38.1	175.7	67.6	0	0	0	0	113	F73 P336 V341 R342 L391 I393	F73-V338 HydrophobicContact CE2-CB 3.93Å; F73-V338 HydrophobicContact CE2-CG2 4.44Å; P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 HydrophobicContact CB-CG1 4.17Å; P336-V338 PolarHBondContact O-N 2.86Å; V338-V341 PolarHBondContact O-N 2.71Å; V338-R342 PolarHBondContact O-N 2.94Å; V338-R342 VanDerWaalsContact O-N 3.11Å; V338-L391 WeakPolarHBondContact CG2-O 3.25Å; V338-I393 HydrophobicContact CB-CD1 3.8Å; V338-I393 HydrophobicContact CB-CG1 4.26Å; V338-I393 HydrophobicContact CG1-CD1 4.12Å; V338-I393 HydrophobicContact CG2-CD1 4.03Å; V338-I393 HydrophobicContact CG2-CG1 3.91Å
339	E	93.4	Very high	82.8	Confident	50 Å²	50	36.3 Å²	36.3	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-74.4	-31.1	176	-174.4	60.6	-150.8	0	0	111.1	V335 P336 M337 R342 S343 R346	V335-E339 HydrophobicContact CG1-CB 3.67Å; V335-E339 HydrophobicContact CG1-CG 3.74Å; P336-E339 WeakPolarHBondContact O-CA 3.3Å; P336-E339 PolarHBondContact O-N 2.95Å; M337-E339 VanDerWaalsContact C-N 3.31Å; M337-E339 PolarHBondContact O-N 3.01Å; E339-R342 PolarHBondContact O-N 3.4Å; E339-R342 IonicContact OE2-CZ 2.83Å; E339-R342 IonicContact OE2-NE 2.63Å; E339-R342 PolarHBondContact OE2-NE 2.92Å; E339-R342 IonicContact OE2-NH2 2.87Å; E339-R342 PolarHBondContact OE2-NH2 3.11Å; E339-S343 WeakPolarHBondContact O-CB 3.32Å; E339-S343 PolarHBondContact O-N 3.32Å; E339-S343 PolarHBondContact O-OG 3.03Å; E339-R346 IonicContact OE1-NH1 3.43Å; E339-R346 IonicContact OE1-NH2 2.79Å; E339-R346 PolarHBondContact OE1-NH2 2.73Å
340	S	95.1	Very high	85.1	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-39.2	170.3	-54.7	0	0	0	0	112.2	P336 M337 S343 L344	P336-S340 PolarHBondContact O-N 2.92Å; P336-S340 PolarHBondContact O-OG 2.82Å; M337-S340 WeakPolarHBondContact O-CA 3.45Å; M337-S340 WeakPolarHBondContact O-CB 3.36Å; M337-S340 PolarHBondContact O-N 3.35Å; M337-S340 VanDerWaalsContact O-N 3.1Å; S340-S343 PolarHBondContact O-N 3Å; S340-L344 WeakPolarHBondContact O-CB 3.01Å; S340-L344 PolarHBondContact O-N 3.08Å
341	V	97.1	Very high	87.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-51.6	172.9	170.7	0	0	0	0	110.2	F73 L296 M337 V338 S343 L344 V345 A355 L356 A359 L391	F73-V341 HydrophobicContact CE1-CG2 4.08Å; F73-V341 HydrophobicContact CZ-CG2 4.08Å; L296-V341 HydrophobicContact CD1-CB 4.34Å; L296-V341 HydrophobicContact CD1-CG2 3.75Å; M337-V341 WeakPolarHBondContact O-CG2 3.47Å; M337-V341 PolarHBondContact O-N 3.13Å; V338-V341 PolarHBondContact O-N 2.71Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 3.13Å; V341-L344 PolarHBondContact O-N 3.46Å; V341-V345 PolarHBondContact O-N 3.01Å; V341-V345 VanDerWaalsContact O-N 3.13Å; V341-A355 HydrophobicContact CG1-CB 3.86Å; V341-L356 HydrophobicContact CG1-CD2 3.99Å; V341-L356 HydrophobicContact CG1-CG 4.26Å; V341-A359 HydrophobicContact CG2-CB 3.69Å; V341-L391 HydrophobicContact CG1-CD1 3.96Å
342	R	96.6	Very high	89.7	Confident	52 Å²	52	39 Å²	39	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-39.2	177.9	-70.6	-170.6	-67.1	-127.6	13.6	112.7	V338 E339 V345 R346 E390 L391 N392	V338-R342 PolarHBondContact O-N 2.94Å; V338-R342 VanDerWaalsContact O-N 3.11Å; E339-R342 PolarHBondContact O-N 3.4Å; E339-R342 IonicContact OE2-CZ 2.83Å; E339-R342 IonicContact OE2-NE 2.63Å; E339-R342 PolarHBondContact OE2-NE 2.92Å; E339-R342 IonicContact OE2-NH2 2.87Å; E339-R342 PolarHBondContact OE2-NH2 3.11Å; R342-V345 PolarHBondContact O-N 3.02Å; R342-R346 WeakPolarHBondContact O-CB 3.26Å; R342-R346 PolarHBondContact O-N 3.13Å; R342-E390 VanDerWaalsContact CD-O 3.28Å; R342-E390 WeakPolarHBondContact CD-O 3.47Å; R342-L391 HydrophobicContact CG-CB 3.95Å; R342-L391 HydrophobicContact CG-CD1 4.39Å; R342-L391 PolarHBondContact NH1-O 3Å; R342-N392 PolarHBondContact NH1-OD1 3.26Å
343	S	95.6	Very high	92.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-39.9	177.1	-68.3	0	0	0	0	111.7	A273 E339 S340 V341 V345 R346 Y347	A273-S343 WeakPolarHBondContact O-CB 3.18Å; A273-S343 PolarHBondContact O-OG 3.47Å; E339-S343 WeakPolarHBondContact O-CB 3.32Å; E339-S343 PolarHBondContact O-N 3.32Å; E339-S343 PolarHBondContact O-OG 3.03Å; S340-S343 PolarHBondContact O-N 3Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 3.13Å; S343-V345 PolarHBondContact O-N 3.42Å; S343-R346 PolarHBondContact O-N 2.94Å; S343-Y347 VanDerWaalsContact O-CB 3.3Å; S343-Y347 WeakPolarHBondContact O-CB 3.45Å; S343-Y347 WeakPolarHBondContact O-CD2 3.4Å; S343-Y347 PolarHBondContact O-N 3.14Å
344	L	97.5	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-46.7	174.6	179.3	59.7	0	0	0	111.3	L271 V283 L294 L296 S340 V341 S348 Y354 A355 C358	L271-L344 HydrophobicContact CD2-CD1 4.44Å; V283-L344 HydrophobicContact CG1-CD1 3.79Å; L294-L344 HydrophobicContact CD1-CD1 4.14Å; L294-L344 HydrophobicContact CD2-CD2 3.89Å; L296-L344 HydrophobicContact CD1-CB 4.33Å; L296-L344 HydrophobicContact CD1-CD2 3.93Å; L296-L344 HydrophobicContact CD2-CB 4.34Å; L296-L344 HydrophobicContact CD2-CD2 4.13Å; L296-L344 HydrophobicContact CG-CD2 4.09Å; S340-L344 WeakPolarHBondContact O-CB 3.01Å; S340-L344 PolarHBondContact O-N 3.08Å; V341-L344 PolarHBondContact O-N 3.46Å; L344-S348 VanDerWaalsContact O-CB 3.22Å; L344-S348 WeakPolarHBondContact O-CB 3.31Å; L344-S348 PolarHBondContact O-N 2.78Å; L344-S348 PolarHBondContact O-OG 2.93Å; L344-Y354 HydrophobicContact CD2-CE1 4.3Å; L344-A355 HydrophobicContact CB-CB 4.46Å; L344-A355 HydrophobicContact CD2-CB 4.05Å; L344-A355 HydrophobicContact CG-CB 4.36Å; L344-C358 HydrophobicContact CD2-CB 3.95Å
345	V	97.6	Very high	95.4	Very high	34 Å²	34	32.6 Å²	32.6	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-52.3	173.9	175.5	0	0	0	0	110.1	V341 R342 S343 Y347 G349 A355 L391	V341-V345 PolarHBondContact O-N 3.01Å; V341-V345 VanDerWaalsContact O-N 3.13Å; R342-V345 PolarHBondContact O-N 3.02Å; S343-V345 PolarHBondContact O-N 3.42Å; V345-Y347 PolarHBondContact O-N 2.64Å; V345-G349 VanDerWaalsContact O-CA 3.29Å; V345-G349 WeakPolarHBondContact O-CA 3.37Å; V345-G349 PolarHBondContact O-N 3.29Å; V345-A355 HydrophobicContact CG2-CB 3.47Å; V345-A355 VanDerWaalsContact CG2-CB 3.47Å; V345-L391 HydrophobicContact CG2-CD1 4.45Å
346	R	97.6	Very high	96.1	Very high	153 Å²	153	31.7 Å²	31.7	58%	0.577	17%	0.17	S	C	*	.	H	α-helix	trans	-60.5	-44.8	-176.4	-168.1	-174.7	-54.7	155.8	11.5	113.1	E339 R342 S343	E339-R346 IonicContact OE1-NH1 3.43Å; E339-R346 IonicContact OE1-NH2 2.79Å; E339-R346 PolarHBondContact OE1-NH2 2.73Å; R342-R346 WeakPolarHBondContact O-CB 3.26Å; R342-R346 PolarHBondContact O-N 3.13Å; S343-R346 PolarHBondContact O-N 2.94Å
347	Y	97.2	Very high	96.5	Very high	51 Å²	51	30.5 Å²	30.5	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-83.4	-37.6	-173.3	-59.2	-26.1	0	0	0	112.6	P280 V283 S343 V345	P280-Y347 HydrophobicContact CB-CD1 3.66Å; P280-Y347 HydrophobicContact CB-CD2 4.24Å; P280-Y347 HydrophobicContact CB-CE1 4.21Å; P280-Y347 HydrophobicContact CB-CG 3.69Å; P280-Y347 HydrophobicContact CG-CD1 3.77Å; P280-Y347 HydrophobicContact CG-CD2 4.27Å; P280-Y347 HydrophobicContact CG-CE1 3.78Å; P280-Y347 HydrophobicContact CG-CE2 4.27Å; P280-Y347 HydrophobicContact CG-CG 4.04Å; V283-Y347 HydrophobicContact CB-CD2 4.37Å; V283-Y347 HydrophobicContact CG1-CD2 4.29Å; V283-Y347 HydrophobicContact CG2-CD2 4.22Å; S343-Y347 VanDerWaalsContact O-CB 3.3Å; S343-Y347 WeakPolarHBondContact O-CB 3.45Å; S343-Y347 WeakPolarHBondContact O-CD2 3.4Å; S343-Y347 PolarHBondContact O-N 3.14Å; V345-Y347 PolarHBondContact O-N 2.64Å
348	S	97	Very high	96.7	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-91.5	-30.5	-175.7	77.3	0	0	0	0	113.5	L344 C350	L344-S348 VanDerWaalsContact O-CB 3.22Å; L344-S348 WeakPolarHBondContact O-CB 3.31Å; L344-S348 PolarHBondContact O-N 2.78Å; L344-S348 PolarHBondContact O-OG 2.93Å; S348-C350 VanDerWaalsContact C-N 3.35Å; S348-C350 WeakPolarHBondContact OG-CB 3.33Å; S348-C350 PolarHBondContact OG-N 2.95Å; S348-C350 VanDerWaalsContact OG-N 3.12Å; S348-C350 PolarHBondContact OG-SG 3.32Å
349	G	96.6	Very high	96.9	Very high	64 Å²	64	30 Å²	30	66%	0.66	16%	0.16	S	C	*	.			trans	76.4	18.5	-169.6	0	0	0	0	0	113.8	V345	V345-G349 VanDerWaalsContact O-CA 3.29Å; V345-G349 WeakPolarHBondContact O-CA 3.37Å; V345-G349 PolarHBondContact O-N 3.29Å
350	C	96.9	Very high	97.2	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.041	15%	0.148	C	C	.	.			trans	-72	162.1	173.5	70.9	0	0	0	0	111.9	Y287 S348 Y354	Y287-C350 HydrophobicContact CD2-CB 4.26Å; Y287-C350 HydrophobicContact CE1-CB 3.99Å; Y287-C350 HydrophobicContact CE2-CB 3.66Å; Y287-C350 VanDerWaalsContact CZ-CB 3.5Å; S348-C350 VanDerWaalsContact C-N 3.35Å; S348-C350 WeakPolarHBondContact OG-CB 3.33Å; S348-C350 PolarHBondContact OG-N 2.95Å; S348-C350 VanDerWaalsContact OG-N 3.12Å; S348-C350 PolarHBondContact OG-SG 3.32Å; C350-Y354 HydrophobicContact CB-CD1 3.62Å; C350-Y354 HydrophobicContact CB-CE1 4.12Å; C350-Y354 HydrophobicContact CB-CG 4.43Å
351	D	95.8	Very high	97.3	Very high	122 Å²	122	28.2 Å²	28.2	65%	0.652	15%	0.152	S	C	*	.			trans	-65.9	149.5	174.4	-58.6	-57.1	0	0	0	112.1	A353 Y354 A355	D351-A353 VanDerWaalsContact C-N 3.32Å; D351-A353 PolarHBondContact O-N 3.04Å; D351-Y354 PolarHBondContact O-N 3.39Å; D351-A355 PolarHBondContact O-N 2.86Å; D351-A355 VanDerWaalsContact O-N 3.09Å
352	C	96.7	Very high	97.3	Very high	47 Å²	47	28.9 Å²	28.9	32%	0.318	16%	0.155	S	C	.	.	H	α-helix	trans	-59.2	-41.7	178.6	-64.5	0	0	0	0	112.2	Y354 A355 L356 L391	C352-Y354 VanDerWaalsContact C-N 3.34Å; C352-Y354 PolarHBondContact O-N 3.31Å; C352-A355 PolarHBondContact O-N 2.82Å; C352-A355 VanDerWaalsContact O-N 3.14Å; C352-L356 WeakPolarHBondContact O-CG 3.16Å; C352-L356 PolarHBondContact O-N 3.39Å; C352-L391 HydrophobicContact CB-CD1 4Å; C352-L391 HydrophobicContact CB-CD2 4.28Å
353	A	97.1	Very high	97.4	Very high	7 Å²	7	26.4 Å²	26.4	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-46.1	176.7	0	0	0	0	0	111.8	L27 D30 F32 D351 A355 L356 S357	L27-A353 HydrophobicContact CD1-CB 3.61Å; D30-A353 WeakPolarHBondContact O-CB 3.44Å; F32-A353 HydrophobicContact CE2-CB 4.37Å; D351-A353 VanDerWaalsContact C-N 3.32Å; D351-A353 PolarHBondContact O-N 3.04Å; A353-A355 PolarHBondContact O-N 3.05Å; A353-L356 PolarHBondContact O-N 2.86Å; A353-S357 PolarHBondContact O-N 3.18Å; A353-S357 PolarHBondContact O-OG 3.07Å
354	Y	97.3	Very high	97.6	Very high	29 Å²	29	26.3 Å²	26.3	11%	0.114	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.3	169.6	-87.4	0	0	0	112.1	Y287 P291 L344 C350 D351 C352 L356 S357 C358 H362	Y287-Y354 HydrophobicContact CD2-CD1 4.37Å; Y287-Y354 AromaticContact CD2-CE1 3.47Å; Y287-Y354 HydrophobicContact CD2-CE1 3.47Å; Y287-Y354 VanDerWaalsContact CD2-CE1 3.47Å; Y287-Y354 AromaticContact CD2-CZ 3.61Å; Y287-Y354 WeakPolarHBondContact CD2-OH 3.41Å; Y287-Y354 AromaticContact CE2-CD1 3.94Å; Y287-Y354 HydrophobicContact CE2-CD1 3.94Å; Y287-Y354 AromaticContact CE2-CE1 3.41Å; Y287-Y354 HydrophobicContact CE2-CE1 3.41Å; Y287-Y354 VanDerWaalsContact CE2-CE1 3.41Å; Y287-Y354 HydrophobicContact CE2-CE2 4.17Å; Y287-Y354 AromaticContact CE2-CZ 3.55Å; P291-Y354 VanDerWaalsContact C-OH 3.31Å; P291-Y354 WeakPolarHBondContact CA-OH 3.2Å; P291-Y354 HydrophobicContact CB-CE2 3.92Å; P291-Y354 WeakPolarHBondContact CB-OH 3.45Å; P291-Y354 PolarHBondContact O-OH 3.16Å; L344-Y354 HydrophobicContact CD2-CE1 4.3Å; C350-Y354 HydrophobicContact CB-CD1 3.62Å; C350-Y354 HydrophobicContact CB-CE1 4.12Å; C350-Y354 HydrophobicContact CB-CG 4.43Å; D351-Y354 PolarHBondContact O-N 3.39Å; C352-Y354 VanDerWaalsContact C-N 3.34Å; C352-Y354 PolarHBondContact O-N 3.31Å; Y354-L356 VanDerWaalsContact C-N 3.35Å; Y354-L356 PolarHBondContact O-N 3.27Å; Y354-S357 WeakPolarHBondContact O-CB 3.16Å; Y354-S357 PolarHBondContact O-N 2.86Å; Y354-C358 WeakPolarHBondContact CE1-SG 3.27Å; Y354-C358 PolarHBondContact O-N 2.85Å; Y354-C358 PolarHBondContact O-SG 3.42Å; Y354-H362 AromaticContact CE2-CE1 3.84Å
355	A	97.7	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-37.8	179.5	0	0	0	0	0	112.3	V341 L344 V345 D351 C352 A353 C358 A359	V341-A355 HydrophobicContact CG1-CB 3.86Å; L344-A355 HydrophobicContact CB-CB 4.46Å; L344-A355 HydrophobicContact CD2-CB 4.05Å; L344-A355 HydrophobicContact CG-CB 4.36Å; V345-A355 HydrophobicContact CG2-CB 3.47Å; V345-A355 VanDerWaalsContact CG2-CB 3.47Å; D351-A355 PolarHBondContact O-N 2.86Å; D351-A355 VanDerWaalsContact O-N 3.09Å; C352-A355 PolarHBondContact O-N 2.82Å; C352-A355 VanDerWaalsContact O-N 3.14Å; A353-A355 PolarHBondContact O-N 3.05Å; A355-C358 WeakPolarHBondContact O-CB 3.44Å; A355-C358 PolarHBondContact O-N 3.34Å; A355-A359 PolarHBondContact O-N 3.29Å
356	L	98.1	Very high	97.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-45.9	171.5	-68.9	165.9	0	0	0	110.9	L27 F32 A70 F73 V341 C352 A353 Y354 C358 A359 S360 L387 L391	L27-L356 HydrophobicContact CD2-CB 3.91Å; L27-L356 HydrophobicContact CD2-CD1 4.06Å; F32-L356 HydrophobicContact CE2-CD1 4.12Å; F32-L356 HydrophobicContact CZ-CD1 3.58Å; A70-L356 HydrophobicContact CB-CD1 3.91Å; A70-L356 HydrophobicContact CB-CD2 4.45Å; F73-L356 HydrophobicContact CE1-CD2 3.74Å; F73-L356 HydrophobicContact CZ-CD2 4.07Å; V341-L356 HydrophobicContact CG1-CD2 3.99Å; V341-L356 HydrophobicContact CG1-CG 4.26Å; C352-L356 WeakPolarHBondContact O-CG 3.16Å; C352-L356 PolarHBondContact O-N 3.39Å; A353-L356 PolarHBondContact O-N 2.86Å; Y354-L356 VanDerWaalsContact C-N 3.35Å; Y354-L356 PolarHBondContact O-N 3.27Å; L356-C358 PolarHBondContact O-N 3.06Å; L356-A359 CarbonylContact O-C 3.49Å; L356-A359 WeakPolarHBondContact O-CA 3.37Å; L356-A359 PolarHBondContact O-N 3.47Å; L356-S360 PolarHBondContact O-N 2.88Å; L356-S360 VanDerWaalsContact O-N 3.1Å; L356-S360 PolarHBondContact O-OG 3.44Å; L356-L387 HydrophobicContact CD1-CD1 4.21Å; L356-L387 HydrophobicContact CD2-CD1 3.76Å; L356-L391 HydrophobicContact CD1-CD2 4.28Å
357	S	97.6	Very high	97.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-33.5	174.3	-71.3	0	0	0	0	112.9	D30 A353 Y354 A359 S360 L361 H362	D30-S357 PolarHBondContact OD1-OG 2.96Å; A353-S357 PolarHBondContact O-N 3.18Å; A353-S357 PolarHBondContact O-OG 3.07Å; Y354-S357 WeakPolarHBondContact O-CB 3.16Å; Y354-S357 PolarHBondContact O-N 2.86Å; S357-A359 PolarHBondContact O-N 3.39Å; S357-S360 PolarHBondContact O-N 3.21Å; S357-L361 PolarHBondContact O-N 3.03Å; S357-H362 WeakPolarHBondContact O-CB 3.42Å; S357-H362 PolarHBondContact O-N 3.41Å
358	C	98.2	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-23.5	174.4	-66.9	0	0	0	0	113.4	L294 M295 L296 L344 Y354 A355 L356 P363	L294-C358 HydrophobicContact CD2-CB 3.77Å; M295-C358 WeakPolarHBondContact CA-O 3.29Å; L296-C358 HydrophobicContact CD1-CB 4.31Å; L296-C358 HydrophobicContact CG-CB 4.11Å; L296-C358 PolarHBondContact N-O 2.96Å; L344-C358 HydrophobicContact CD2-CB 3.95Å; Y354-C358 WeakPolarHBondContact CE1-SG 3.27Å; Y354-C358 PolarHBondContact O-N 2.85Å; Y354-C358 PolarHBondContact O-SG 3.42Å; A355-C358 WeakPolarHBondContact O-CB 3.44Å; A355-C358 PolarHBondContact O-N 3.34Å; L356-C358 PolarHBondContact O-N 3.06Å; C358-P363 WeakPolarHBondContact O-CD 3.35Å
359	A	98.4	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-98.3	-6.2	175.9	0	0	0	0	0	113.4	F73 I74 L296 M337 V341 A355 L356 S357	F73-A359 CarbonylContact C-O 3.58Å; F73-A359 VanDerWaalsContact CA-O 3.27Å; F73-A359 WeakPolarHBondContact CA-O 3.45Å; F73-A359 HydrophobicContact CB-CB 4.34Å; F73-A359 HydrophobicContact CD1-CB 3.47Å; F73-A359 VanDerWaalsContact CD1-CB 3.47Å; F73-A359 HydrophobicContact CE1-CB 4Å; F73-A359 HydrophobicContact CG-CB 4.04Å; I74-A359 PolarHBondContact N-O 2.96Å; L296-A359 HydrophobicContact CB-CB 4.4Å; L296-A359 HydrophobicContact CD1-CB 4.3Å; M337-A359 HydrophobicContact CG-CB 4.03Å; M337-A359 HydrophobicContact SD-CB 3.9Å; V341-A359 HydrophobicContact CG2-CB 3.69Å; A355-A359 PolarHBondContact O-N 3.29Å; L356-A359 CarbonylContact O-C 3.49Å; L356-A359 WeakPolarHBondContact O-CA 3.37Å; L356-A359 PolarHBondContact O-N 3.47Å; S357-A359 PolarHBondContact O-N 3.39Å
360	S	98.4	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-74.8	-176.4	62.2	0	0	0	0	112.7	S72 L356 S357 H362 P363 A364	S72-S360 WeakPolarHBondContact O-CB 3.17Å; L356-S360 PolarHBondContact O-N 2.88Å; L356-S360 VanDerWaalsContact O-N 3.1Å; L356-S360 PolarHBondContact O-OG 3.44Å; S357-S360 PolarHBondContact O-N 3.21Å; S360-H362 PolarHBondContact O-N 2.82Å; S360-P363 VanDerWaalsContact O-CD 3.32Å; S360-P363 WeakPolarHBondContact O-CD 3.44Å; S360-P363 VanDerWaalsContact O-CG 3.27Å; S360-P363 WeakPolarHBondContact O-CG 3.01Å; S360-A364 WeakPolarHBondContact O-CB 3.46Å; S360-A364 PolarHBondContact O-N 3.37Å
361	L	98	Very high	97.6	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-174.3	-174.9	55.9	0	0	0	113.4	S357 A364 K365 D370 G374	S357-L361 PolarHBondContact O-N 3.03Å; L361-A364 PolarHBondContact O-N 3.22Å; L361-K365 HydrophobicContact CD1-CD 4.27Å; L361-K365 HydrophobicContact CD1-CG 4.27Å; L361-K365 HydrophobicContact CG-CD 4.09Å; L361-K365 WeakPolarHBondContact O-CB 3.32Å; L361-K365 VanDerWaalsContact O-CG 3.32Å; L361-K365 WeakPolarHBondContact O-CG 3.49Å; L361-K365 PolarHBondContact O-N 3.04Å; L361-D370 HydrophobicContact CD1-CB 4.18Å; L361-G374 VanDerWaalsContact CA-O 3.32Å; L361-G374 WeakPolarHBondContact CA-O 3.42Å; L361-G374 VanDerWaalsContact CB-O 3.31Å; L361-G374 WeakPolarHBondContact CB-O 3.24Å; L361-G374 PolarHBondContact N-O 2.99Å
362	H	98	Very high	97.7	Very high	14 Å²	14	23.9 Å²	23.9	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-50.5	-179.1	-68.1	-173.1	0	0	0	112.5	L294 M295 Y354 S357 S360 A364 K365 F366	L294-H362 WeakPolarHBondContact O-CB 3.18Å; L294-H362 PolarHBondContact O-ND1 2.87Å; M295-H362 HydrophobicContact CG-CB 4.05Å; Y354-H362 AromaticContact CE2-CE1 3.84Å; S357-H362 WeakPolarHBondContact O-CB 3.42Å; S357-H362 PolarHBondContact O-N 3.41Å; S360-H362 PolarHBondContact O-N 2.82Å; H362-A364 VanDerWaalsContact C-N 3.31Å; H362-A364 PolarHBondContact O-N 3.29Å; H362-K365 PolarHBondContact O-N 3.28Å; H362-F366 PolarHBondContact O-N 2.98Å
363	P	98.5	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-37.5	172.1	18.2	-27.6	0	0	0	112.7	I74 L76 M295 C358 S360 K365 F366 L367	I74-P363 HydrophobicContact CB-CB 4.13Å; I74-P363 HydrophobicContact CB-CG 3.97Å; I74-P363 HydrophobicContact CG2-CB 4.16Å; L76-P363 HydrophobicContact CD1-CB 3.71Å; L76-P363 HydrophobicContact CD2-CB 4.22Å; L76-P363 HydrophobicContact CG-CB 3.82Å; M295-P363 HydrophobicContact SD-CB 4.3Å; C358-P363 WeakPolarHBondContact O-CD 3.35Å; S360-P363 VanDerWaalsContact O-CD 3.32Å; S360-P363 WeakPolarHBondContact O-CD 3.44Å; S360-P363 VanDerWaalsContact O-CG 3.27Å; S360-P363 WeakPolarHBondContact O-CG 3.01Å; P363-K365 PolarHBondContact O-N 2.89Å; P363-F366 PolarHBondContact O-N 2.94Å; P363-L367 WeakPolarHBondContact O-CB 3.45Å; P363-L367 WeakPolarHBondContact O-CG 3.15Å; P363-L367 PolarHBondContact O-N 2.84Å
364	A	98.3	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-44.9	174.2	0	0	0	0	0	112.6	I74 S360 L361 H362 L367 G368 I369 D370 K373	I74-A364 HydrophobicContact CD1-CB 3.79Å; S360-A364 WeakPolarHBondContact O-CB 3.46Å; S360-A364 PolarHBondContact O-N 3.37Å; L361-A364 PolarHBondContact O-N 3.22Å; H362-A364 VanDerWaalsContact C-N 3.31Å; H362-A364 PolarHBondContact O-N 3.29Å; A364-L367 CarbonylContact O-C 3.52Å; A364-L367 PolarHBondContact O-N 2.79Å; A364-G368 PolarHBondContact O-N 3.19Å; A364-I369 HydrophobicContact CB-CG1 4.06Å; A364-I369 PolarHBondContact O-N 2.91Å; A364-D370 HydrophobicContact CB-CB 4.07Å; A364-K373 VanDerWaalsContact CB-O 3.3Å; A364-K373 WeakPolarHBondContact CB-O 3.4Å
365	K	97.7	Very high	97.7	Very high	75 Å²	75	22.1 Å²	22.1	33%	0.326	13%	0.134	S	C	.	.	H	α-helix	trans	-64.8	-40.3	176.6	-78.2	173.8	175.3	165.8	0	112.6	Y268 L361 H362 P363 L367 G368 D370	Y268-K365 HydrophobicContact CE1-CB 4.19Å; Y268-K365 WeakPolarHBondContact OH-CB 3.47Å; L361-K365 HydrophobicContact CD1-CD 4.27Å; L361-K365 HydrophobicContact CD1-CG 4.27Å; L361-K365 HydrophobicContact CG-CD 4.09Å; L361-K365 WeakPolarHBondContact O-CB 3.32Å; L361-K365 VanDerWaalsContact O-CG 3.32Å; L361-K365 WeakPolarHBondContact O-CG 3.49Å; L361-K365 PolarHBondContact O-N 3.04Å; H362-K365 PolarHBondContact O-N 3.28Å; P363-K365 PolarHBondContact O-N 2.89Å; K365-L367 VanDerWaalsContact C-N 3.29Å; K365-L367 PolarHBondContact O-N 3.37Å; K365-G368 PolarHBondContact O-N 3.47Å; K365-G368 VanDerWaalsContact O-N 3.12Å; K365-D370 HydrophobicContact CB-CB 4.49Å; K365-D370 HydrophobicContact CG-CB 3.68Å
366	F	98	Very high	97.6	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.022	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-42.1	175.5	172.9	-113.5	0	0	0	111.4	L76 M191 L214 R236 Y268 M295 H362 P363 G368	L76-F366 HydrophobicContact CD1-CD1 3.55Å; L76-F366 HydrophobicContact CD1-CE1 4.13Å; M191-F366 HydrophobicContact CE-CE1 4.29Å; M191-F366 HydrophobicContact SD-CE1 4.16Å; L214-F366 HydrophobicContact CB-CE1 4.43Å; L214-F366 HydrophobicContact CB-CZ 4.01Å; L214-F366 HydrophobicContact CD1-CD1 4.19Å; L214-F366 HydrophobicContact CD1-CE1 3.94Å; L214-F366 HydrophobicContact CD1-CZ 4.13Å; L214-F366 WeakPolarHBondContact CD1-O 3.5Å; L214-F366 HydrophobicContact CD2-CD2 4.42Å; L214-F366 HydrophobicContact CD2-CE2 3.98Å; L214-F366 HydrophobicContact CD2-CZ 4.17Å; L214-F366 HydrophobicContact CG-CZ 4.34Å; R236-F366 HydrophobicContact CB-CE2 4Å; Y268-F366 HydrophobicContact CD1-CB 3.88Å; Y268-F366 HydrophobicContact CD2-CB 4.16Å; Y268-F366 AromaticContact CD2-CD2 3.84Å; Y268-F366 HydrophobicContact CD2-CD2 3.84Å; Y268-F366 HydrophobicContact CD2-CG 4.47Å; Y268-F366 HydrophobicContact CE1-CB 4.34Å; Y268-F366 HydrophobicContact CG-CB 3.78Å; Y268-F366 AromaticContact CG-CD2 3.82Å; Y268-F366 HydrophobicContact CG-CD2 3.82Å; Y268-F366 HydrophobicContact CG-CG 4.16Å; M295-F366 HydrophobicContact CE-CB 4.31Å; M295-F366 HydrophobicContact CE-CD1 3.89Å; M295-F366 HydrophobicContact CE-CD2 4.48Å; M295-F366 HydrophobicContact CE-CE1 4.3Å; M295-F366 HydrophobicContact CE-CG 3.97Å; M295-F366 HydrophobicContact SD-CB 3.36Å; M295-F366 WeakPolarHBondContact SD-CB 3.42Å; M295-F366 HydrophobicContact SD-CD1 3.85Å; M295-F366 HydrophobicContact SD-CG 3.68Å; H362-F366 PolarHBondContact O-N 2.98Å; P363-F366 PolarHBondContact O-N 2.94Å; F366-G368 VanDerWaalsContact C-N 3.27Å; F366-G368 PolarHBondContact O-N 3.11Å
367	L	97.9	Very high	97.5	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-72.9	-16.2	174.8	-69.3	-170.7	0	0	0	113.4	L76 L145 R190 L214 P363 A364 K365 I369	L76-L367 HydrophobicContact CD1-CD2 4.47Å; L76-L367 HydrophobicContact CD1-CG 4.33Å; L76-L367 HydrophobicContact CD2-CD1 3.51Å; L76-L367 HydrophobicContact CD2-CD2 4.21Å; L76-L367 HydrophobicContact CD2-CG 3.89Å; L145-L367 HydrophobicContact CB-CD1 4.21Å; L145-L367 HydrophobicContact CD1-CD1 3.46Å; L145-L367 VanDerWaalsContact CD1-CD1 3.46Å; L145-L367 HydrophobicContact CG-CD1 4.47Å; R190-L367 HydrophobicContact CG-CD2 3.6Å; R190-L367 PolarHBondContact NH2-O 3.13Å; L214-L367 HydrophobicContact CD1-CD2 3.57Å; P363-L367 WeakPolarHBondContact O-CB 3.45Å; P363-L367 WeakPolarHBondContact O-CG 3.15Å; P363-L367 PolarHBondContact O-N 2.84Å; A364-L367 CarbonylContact O-C 3.52Å; A364-L367 PolarHBondContact O-N 2.79Å; K365-L367 VanDerWaalsContact C-N 3.29Å; K365-L367 PolarHBondContact O-N 3.37Å; L367-I369 HydrophobicContact CB-CD1 4.2Å; L367-I369 HydrophobicContact CB-CG1 3.94Å; L367-I369 HydrophobicContact CB-CG2 4.33Å; L367-I369 HydrophobicContact CD1-CD1 3.92Å
368	G	97.2	Very high	97.3	Very high	52 Å²	52	30.4 Å²	30.4	54%	0.536	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	34.9	-173.7	0	0	0	0	0	113	A364 K365 F366	A364-G368 PolarHBondContact O-N 3.19Å; K365-G368 PolarHBondContact O-N 3.47Å; K365-G368 VanDerWaalsContact O-N 3.12Å; F366-G368 VanDerWaalsContact C-N 3.27Å; F366-G368 PolarHBondContact O-N 3.11Å
369	I	97.5	Very high	97.1	Very high	26 Å²	26	32.4 Å²	32.4	13%	0.133	20%	0.198	C	C	.	.			trans	-118.8	14.5	177.2	66.9	175	0	0	0	112	L145 A364 L367 T371 V372 K373	L145-I369 HydrophobicContact CD1-CD1 3.78Å; L145-I369 HydrophobicContact CD2-CD1 4.1Å; A364-I369 HydrophobicContact CB-CG1 4.06Å; A364-I369 PolarHBondContact O-N 2.91Å; L367-I369 HydrophobicContact CB-CD1 4.2Å; L367-I369 HydrophobicContact CB-CG1 3.94Å; L367-I369 HydrophobicContact CB-CG2 4.33Å; L367-I369 HydrophobicContact CD1-CD1 3.92Å; I369-T371 PolarHBondContact O-N 2.67Å; I369-T371 VanDerWaalsContact O-N 3.15Å; I369-V372 HydrophobicContact CB-CG2 4.04Å; I369-V372 VanDerWaalsContact O-CG2 3.22Å; I369-V372 WeakPolarHBondContact O-CG2 3.24Å; I369-V372 PolarHBondContact O-N 3.46Å; I369-K373 HydrophobicContact CD1-CB 4.25Å; I369-K373 HydrophobicContact CD1-CD 4.43Å; I369-K373 HydrophobicContact CG1-CB 4.45Å; I369-K373 PolarHBondContact O-N 2.98Å
370	D	97	Very high	97.1	Very high	59 Å²	59	32.6 Å²	32.6	32%	0.316	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.1	-176.4	60.1	-57.6	0	0	0	114.5	L361 A364 K365 V372 K373	L361-D370 HydrophobicContact CD1-CB 4.18Å; A364-D370 HydrophobicContact CB-CB 4.07Å; K365-D370 HydrophobicContact CB-CB 4.49Å; K365-D370 HydrophobicContact CG-CB 3.68Å; D370-V372 VanDerWaalsContact C-N 3.32Å; D370-K373 WeakPolarHBondContact CA-O 3.44Å
371	T	96.6	Very high	96.9	Very high	111 Å²	111	33.4 Å²	33.4	68%	0.681	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.3	169	59.3	0	0	0	0	113.3	I369	I369-T371 PolarHBondContact O-N 2.67Å; I369-T371 VanDerWaalsContact O-N 3.15Å
372	V	97.2	Very high	96.9	Very high	52 Å²	52	32.7 Å²	32.7	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-26.6	-177.8	-66	0	0	0	0	113.5	I369 D370 C380 D381	I369-V372 HydrophobicContact CB-CG2 4.04Å; I369-V372 VanDerWaalsContact O-CG2 3.22Å; I369-V372 WeakPolarHBondContact O-CG2 3.24Å; I369-V372 PolarHBondContact O-N 3.46Å; D370-V372 VanDerWaalsContact C-N 3.32Å; V372-C380 CarbonylContact O-C 3.59Å; V372-C380 WeakPolarHBondContact O-CA 3.24Å; V372-D381 PolarHBondContact O-N 2.87Å
373	K	97.4	Very high	96.8	Very high	25 Å²	25	32.5 Å²	32.5	11%	0.109	20%	0.199	C	C	.	.	S	Bend	trans	-135.8	162.2	-179.7	-68.6	-161.8	178.3	-60.7	0	112.1	I74 S111 L145 A364 I369 D370 S375 D381 D383	I74-K373 HydrophobicContact CD1-CB 4.11Å; S111-K373 WeakPolarHBondContact OG-CD 3.44Å; S111-K373 VanDerWaalsContact OG-CE 3.28Å; S111-K373 WeakPolarHBondContact OG-CE 3.02Å; L145-K373 HydrophobicContact CD2-CD 4.48Å; A364-K373 VanDerWaalsContact CB-O 3.3Å; A364-K373 WeakPolarHBondContact CB-O 3.4Å; I369-K373 HydrophobicContact CD1-CB 4.25Å; I369-K373 HydrophobicContact CD1-CD 4.43Å; I369-K373 HydrophobicContact CG1-CB 4.45Å; I369-K373 PolarHBondContact O-N 2.98Å; D370-K373 WeakPolarHBondContact CA-O 3.44Å; K373-S375 VanDerWaalsContact C-N 3.32Å; K373-S375 PolarHBondContact O-N 2.96Å; K373-D381 VanDerWaalsContact CE-OD2 3.28Å; K373-D381 WeakPolarHBondContact CE-OD2 2.99Å; K373-D381 WeakPolarHBondContact CG-OD2 3.31Å; K373-D381 IonicContact NZ-OD2 3.06Å; K373-D381 PolarHBondContact NZ-OD2 3.03Å; K373-D383 IonicContact NZ-OD2 3.65Å; K373-D383 PolarHBondContact NZ-OD2 3.37Å
374	G	97	Very high	96.8	Very high	7 Å²	7	32.5 Å²	32.5	7%	0.072	20%	0.199	C	C	.	.	S	Bend	trans	83.3	1.4	173.6	0	0	0	0	0	115.2	L361	L361-G374 VanDerWaalsContact CA-O 3.32Å; L361-G374 WeakPolarHBondContact CA-O 3.42Å; L361-G374 VanDerWaalsContact CB-O 3.31Å; L361-G374 WeakPolarHBondContact CB-O 3.24Å; L361-G374 PolarHBondContact N-O 2.99Å
375	S	97.2	Very high	96.8	Very high	14 Å²	14	32.5 Å²	32.5	10%	0.098	20%	0.199	C	C	.	.	S	Bend	trans	-145.2	165.1	167.4	76.2	0	0	0	0	110.2	K373 C380	K373-S375 VanDerWaalsContact C-N 3.32Å; K373-S375 PolarHBondContact O-N 2.96Å; S375-C380 VanDerWaalsContact O-CB 3.32Å; S375-C380 WeakPolarHBondContact O-CB 3.48Å; S375-C380 PolarHBondContact OG-SG 3.07Å
376	L	96.4	Very high	96.8	Very high	14 Å²	14	29 Å²	29	7%	0.073	18%	0.184	C	C	.	.			trans	-108.3	48.3	175.2	-63.1	169.8	0	0	0	110.7	L26 L37 V44 L69 P71 F384	L26-L376 HydrophobicContact CD1-CB 4.22Å; L26-L376 HydrophobicContact CD1-CD1 3.6Å; L37-L376 HydrophobicContact CD1-CB 4.07Å; L37-L376 HydrophobicContact CD2-CD1 4.42Å; L37-L376 HydrophobicContact CD2-CD2 4.42Å; V44-L376 HydrophobicContact CG2-CB 4.5Å; V44-L376 HydrophobicContact CG2-CD2 4.02Å; L69-L376 HydrophobicContact CD2-CD1 3.2Å; P71-L376 HydrophobicContact CB-CG 4.41Å; P71-L376 HydrophobicContact CG-CD1 4.41Å; P71-L376 HydrophobicContact CG-CG 4.06Å; L376-F384 HydrophobicContact CD1-CB 3.91Å; L376-F384 HydrophobicContact CD2-CB 3.91Å; L376-F384 HydrophobicContact CD2-CD1 4.28Å; L376-F384 HydrophobicContact CG-CB 4.5Å
377	K	94.6	Very high	96.9	Very high	92 Å²	92	28.7 Å²	28.7	40%	0.4	18%	0.183	S	C	.	.	S	Bend	trans	-89.8	153.6	174.2	-66.7	-178.4	-178.8	-172.9	0	110.1	D29 V44 G379 C380	D29-K377 WeakPolarHBondContact OD1-CE 3.14Å; D29-K377 IonicContact OD1-NZ 2.62Å; D29-K377 PolarHBondContact OD1-NZ 3.43Å; V44-K377 WeakPolarHBondContact CB-O 3.15Å; K377-G379 PolarHBondContact O-N 3.44Å; K377-C380 VanDerWaalsContact O-CB 3.27Å; K377-C380 WeakPolarHBondContact O-CB 3.39Å; K377-C380 PolarHBondContact O-N 3.48Å
378	P	94.5	Very high	96.8	Very high	72 Å²	72	29.4 Å²	29.4	47%	0.468	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	133.8	173	-28.5	35.9	0	0	0	112.4	V44 E46	V44-P378 CarbonylContact O-C 3.58Å; V44-P378 WeakPolarHBondContact O-CA 3.35Å; E46-P378 HydrophobicContact CB-CB 4.21Å; E46-P378 HydrophobicContact CB-CG 3.82Å; E46-P378 HydrophobicContact CG-CG 4.34Å
379	G	94.1	Very high	96.7	Very high	42 Å²	42	32.4 Å²	32.4	43%	0.433	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-19	-176.4	0	0	0	0	0	115.5	R43 V44 K377	R43-G379 PolarHBondContact NH1-O 2.49Å; R43-G379 VanDerWaalsContact NH1-O 3.09Å; V44-G379 PolarHBondContact O-N 2.87Å; K377-G379 PolarHBondContact O-N 3.44Å
380	C	96.8	Very high	96.6	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	21%	0.213	C	C	.	.	S	Bend	trans	-69.1	154.5	174.2	-67.5	0	0	0	0	111.6	R43 V44 V372 S375 K377	R43-C380 WeakPolarHBondContact CA-O 3.45Å; V44-C380 PolarHBondContact N-O 2.73Å; V372-C380 CarbonylContact O-C 3.59Å; V372-C380 WeakPolarHBondContact O-CA 3.24Å; S375-C380 VanDerWaalsContact O-CB 3.32Å; S375-C380 WeakPolarHBondContact O-CB 3.48Å; S375-C380 PolarHBondContact OG-SG 3.07Å; K377-C380 VanDerWaalsContact O-CB 3.27Å; K377-C380 WeakPolarHBondContact O-CB 3.39Å; K377-C380 PolarHBondContact O-N 3.48Å
381	D	96	Very high	96.5	Very high	18 Å²	18	34.7 Å²	34.7	10%	0.096	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-59.2	137.5	166.1	-60.3	-21.5	0	0	0	108.7	R43 V372 K373 D383	R43-D381 IonicContact CZ-OD1 2.71Å; R43-D381 IonicContact NE-OD1 2.61Å; R43-D381 IonicContact NH1-OD1 2.68Å; R43-D381 PolarHBondContact NH1-OD1 2.83Å; R43-D381 IonicContact NH2-OD1 2.82Å; R43-D381 PolarHBondContact NH2-OD1 2.95Å; V372-D381 PolarHBondContact O-N 2.87Å; K373-D381 VanDerWaalsContact CE-OD2 3.28Å; K373-D381 WeakPolarHBondContact CE-OD2 2.99Å; K373-D381 WeakPolarHBondContact CG-OD2 3.31Å; K373-D381 IonicContact NZ-OD2 3.06Å; K373-D381 PolarHBondContact NZ-OD2 3.03Å; D381-D383 PolarHBondContact O-N 2.84Å
382	A	96.6	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.			trans	-79.5	52.8	177.5	0	0	0	0	0	111.5	V39 G42 V44 F384 D399 G400	V39-A382 HydrophobicContact CB-CB 4.27Å; V39-A382 HydrophobicContact CG1-CB 3.52Å; V39-A382 HydrophobicContact CG2-CB 3.68Å; G42-A382 WeakPolarHBondContact O-CB 3.38Å; G42-A382 PolarHBondContact O-N 2.94Å; V44-A382 HydrophobicContact CG2-CB 4.13Å; A382-F384 HydrophobicContact CB-CE1 4.37Å; A382-F384 VanDerWaalsContact O-CD1 3.26Å; A382-F384 WeakPolarHBondContact O-CD1 3.37Å; A382-F384 WeakPolarHBondContact O-CE1 3.45Å; A382-D399 PolarHBondContact O-N 3.46Å; A382-G400 PolarHBondContact O-N 3.37Å
383	D	96.9	Very high	96.3	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	17%	0.174	C	C	.	.			trans	-94.1	110.9	174.5	-65.5	-6.2	0	0	0	109.4	S72 T110 K373 D381 F397 I398 D399	S72-D383 PolarHBondContact N-O 2.98Å; S72-D383 VanDerWaalsContact N-O 3.07Å; S72-D383 VanDerWaalsContact OG-CB 3.28Å; S72-D383 WeakPolarHBondContact OG-CB 3.46Å; S72-D383 PolarHBondContact OG-O 3.39Å; T110-D383 PolarHBondContact OG1-OD2 2.86Å; K373-D383 IonicContact NZ-OD2 3.65Å; K373-D383 PolarHBondContact NZ-OD2 3.37Å; D381-D383 PolarHBondContact O-N 2.84Å; D383-F397 WeakPolarHBondContact CA-O 3.37Å; D383-I398 WeakPolarHBondContact OD1-CA 3.44Å; D383-D399 PolarHBondContact OD1-N 2.71Å
384	F	98.1	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	168.7	-174.9	60.8	-92.2	0	0	0	113.3	F21 L37 L69 A70 L376 A382 F397	F21-F384 HydrophobicContact CD1-CE2 4.32Å; F21-F384 HydrophobicContact CD1-CZ 4.04Å; F21-F384 HydrophobicContact CD2-CZ 4.25Å; F21-F384 HydrophobicContact CE1-CE2 4.13Å; F21-F384 AromaticContact CE1-CZ 3.62Å; F21-F384 HydrophobicContact CE1-CZ 3.62Å; F21-F384 HydrophobicContact CE2-CE1 4.31Å; F21-F384 AromaticContact CE2-CZ 3.86Å; F21-F384 HydrophobicContact CE2-CZ 3.86Å; F21-F384 HydrophobicContact CG-CZ 4.35Å; F21-F384 HydrophobicContact CZ-CE1 4.31Å; F21-F384 HydrophobicContact CZ-CE2 4.48Å; F21-F384 AromaticContact CZ-CZ 3.54Å; F21-F384 HydrophobicContact CZ-CZ 3.54Å; L37-F384 HydrophobicContact CD2-CD1 3.85Å; L37-F384 HydrophobicContact CD2-CE1 3.8Å; L37-F384 HydrophobicContact CD2-CG 4.38Å; L37-F384 HydrophobicContact CD2-CZ 4.28Å; L69-F384 HydrophobicContact CD1-CD2 4.1Å; L69-F384 HydrophobicContact CD1-CE2 4.03Å; L69-F384 HydrophobicContact CD2-CB 3.73Å; L69-F384 HydrophobicContact CD2-CD1 4.43Å; L69-F384 HydrophobicContact CD2-CD2 3.56Å; L69-F384 HydrophobicContact CD2-CE2 4.27Å; L69-F384 HydrophobicContact CD2-CG 3.67Å; L69-F384 HydrophobicContact CG-CD2 3.73Å; L69-F384 HydrophobicContact CG-CE2 4.17Å; L69-F384 HydrophobicContact CG-CG 4.35Å; A70-F384 CarbonylContact O-C 3.33Å; A70-F384 VanDerWaalsContact O-CA 3.24Å; A70-F384 WeakPolarHBondContact O-CA 2.98Å; A70-F384 VanDerWaalsContact O-CB 3.23Å; A70-F384 WeakPolarHBondContact O-CB 3.35Å; L376-F384 HydrophobicContact CD1-CB 3.91Å; L376-F384 HydrophobicContact CD2-CB 3.91Å; L376-F384 HydrophobicContact CD2-CD1 4.28Å; L376-F384 HydrophobicContact CG-CB 4.5Å; A382-F384 HydrophobicContact CB-CE1 4.37Å; A382-F384 VanDerWaalsContact O-CD1 3.26Å; A382-F384 WeakPolarHBondContact O-CD1 3.37Å; A382-F384 WeakPolarHBondContact O-CE1 3.45Å; F384-F397 HydrophobicContact CD1-CB 4.07Å; F384-F397 HydrophobicContact CD2-CB 4Å; F384-F397 AromaticContact CD2-CD2 3.88Å; F384-F397 HydrophobicContact CD2-CD2 3.88Å; F384-F397 HydrophobicContact CD2-CG 4.04Å; F384-F397 HydrophobicContact CE1-CB 3.86Å; F384-F397 HydrophobicContact CE1-CD1 4.46Å; F384-F397 HydrophobicContact CE1-CG 4.21Å; F384-F397 HydrophobicContact CE2-CB 3.79Å; F384-F397 AromaticContact CE2-CD1 3.95Å; F384-F397 HydrophobicContact CE2-CD1 3.95Å; F384-F397 AromaticContact CE2-CD2 3.42Å; F384-F397 HydrophobicContact CE2-CD2 3.42Å; F384-F397 VanDerWaalsContact CE2-CD2 3.42Å; F384-F397 HydrophobicContact CE2-CE1 4.39Å; F384-F397 AromaticContact CE2-CE2 3.94Å; F384-F397 HydrophobicContact CE2-CE2 3.94Å; F384-F397 AromaticContact CE2-CG 3.44Å; F384-F397 HydrophobicContact CE2-CG 3.44Å; F384-F397 VanDerWaalsContact CE2-CG 3.44Å; F384-F397 HydrophobicContact CE2-CZ 4.4Å; F384-F397 HydrophobicContact CG-CB 4.12Å; F384-F397 HydrophobicContact CZ-CB 3.69Å; F384-F397 AromaticContact CZ-CD1 3.67Å; F384-F397 HydrophobicContact CZ-CD1 3.67Å; F384-F397 HydrophobicContact CZ-CD2 4.01Å; F384-F397 HydrophobicContact CZ-CE1 4.27Å; F384-F397 AromaticContact CZ-CG 3.52Å; F384-F397 HydrophobicContact CZ-CG 3.52Å; F384-F397 PolarHBondContact N-O 3.31Å; F384-F397 PolarHBondContact O-N 3.05Å
385	L	98.5	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.8	176.4	-53.1	175.2	0	0	0	109.1	L69 A70 F73 L387 I393 A395 T396	L69-L385 WeakPolarHBondContact CA-O 3.29Å; A70-L385 PolarHBondContact N-O 2.7Å; A70-L385 VanDerWaalsContact N-O 3.13Å; A70-L385 PolarHBondContact O-N 3.15Å; F73-L385 HydrophobicContact CD1-CD1 4.11Å; F73-L385 HydrophobicContact CD2-CD1 3.95Å; F73-L385 HydrophobicContact CE1-CD1 3.7Å; F73-L385 HydrophobicContact CE2-CD1 3.52Å; F73-L385 HydrophobicContact CG-CD1 4.23Å; F73-L385 HydrophobicContact CZ-CD1 3.39Å; L385-L387 HydrophobicContact CB-CD1 4.4Å; L385-L387 HydrophobicContact CB-CD2 4.23Å; L385-L387 HydrophobicContact CB-CG 4.01Å; L385-L387 HydrophobicContact CD1-CD2 4.36Å; L385-I393 HydrophobicContact CD1-CG1 4.37Å; L385-A395 WeakPolarHBondContact CA-O 3.42Å; L385-T396 HydrophobicContact CD2-CG2 3.8Å
386	L	98.3	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.7	156.3	-64.4	-179.8	0	0	0	108.3	W6 C64 L67 L68 L69 V394 A395 F397	W6-L386 HydrophobicContact CB-CD1 3.63Å; W6-L386 HydrophobicContact CD2-CD1 4.03Å; W6-L386 HydrophobicContact CE3-CD1 4.25Å; W6-L386 HydrophobicContact CG-CD1 3.75Å; C64-L386 HydrophobicContact CB-CD2 4.17Å; L67-L386 HydrophobicContact CB-CB 4.44Å; L67-L386 HydrophobicContact CB-CD2 4.5Å; L67-L386 HydrophobicContact CD1-CB 4.07Å; L67-L386 HydrophobicContact CD1-CD1 4.33Å; L68-L386 CarbonylContact O-C 3.56Å; L68-L386 WeakPolarHBondContact O-CA 3.38Å; L69-L386 HydrophobicContact CB-CD2 4.19Å; L69-L386 HydrophobicContact CD1-CD2 3.98Å; L69-L386 HydrophobicContact CG-CD2 3.87Å; L386-V394 HydrophobicContact CB-CB 4.4Å; L386-V394 PolarHBondContact O-N 3.21Å; L386-A395 HydrophobicContact CB-CB 4.39Å; L386-A395 HydrophobicContact CD1-CB 4.47Å; L386-A395 PolarHBondContact N-O 2.94Å; L386-A395 PolarHBondContact O-N 3.35Å; L386-F397 HydrophobicContact CD1-CE2 3.79Å; L386-F397 HydrophobicContact CD1-CZ 4.22Å; L386-F397 HydrophobicContact CG-CE2 3.9Å
387	L	98.2	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.9	-174.6	-60.1	160.3	0	0	0	110.8	L67 L68 A70 L356 L385 N392 I393	L67-L387 WeakPolarHBondContact CD2-O 3.4Å; L68-L387 HydrophobicContact CB-CB 4.07Å; L68-L387 PolarHBondContact N-O 3.45Å; L68-L387 PolarHBondContact O-N 2.85Å; A70-L387 HydrophobicContact CB-CD1 3.95Å; L356-L387 HydrophobicContact CD1-CD1 4.21Å; L356-L387 HydrophobicContact CD2-CD1 3.76Å; L385-L387 HydrophobicContact CB-CD1 4.4Å; L385-L387 HydrophobicContact CB-CD2 4.23Å; L385-L387 HydrophobicContact CB-CG 4.01Å; L385-L387 HydrophobicContact CD1-CD2 4.36Å; L387-N392 CarbonylContact C-O 3.51Å; L387-N392 WeakPolarHBondContact CA-O 3.47Å; L387-I393 HydrophobicContact CD2-CB 4.34Å; L387-I393 HydrophobicContact CD2-CG1 3.67Å
388	S	97	Very high	96.3	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.14	15%	0.149	C	C	.	.			trans	-73.3	168.7	163.8	84.5	0	0	0	0	111.2	E390 L391 N392	S388-E390 PolarHBondContact O-N 3.44Å; S388-E390 PolarHBondContact OG-N 2.85Å; S388-E390 PolarHBondContact OG-OE2 3.29Å; S388-L391 WeakPolarHBondContact O-CA 3.12Å; S388-L391 PolarHBondContact O-N 3.01Å; S388-N392 PolarHBondContact N-O 3.2Å; S388-N392 PolarHBondContact OG-N 2.7Å; S388-N392 PolarHBondContact OG-ND2 3.2Å
389	D	95.2	Very high	96.3	Very high	116 Å²	116	25.1 Å²	25.1	62%	0.62	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.1	176.4	-68.6	-22.6	0	0	0	113	L391	D389-L391 PolarHBondContact O-N 3.24Å
390	E	94.4	Very high	96.3	Very high	126 Å²	126	23.4 Å²	23.4	59%	0.589	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	9.8	174.1	-52.9	75.9	-164.9	0	0	113.4	R342 S388 N392	R342-E390 VanDerWaalsContact CD-O 3.28Å; R342-E390 WeakPolarHBondContact CD-O 3.47Å; S388-E390 PolarHBondContact O-N 3.44Å; S388-E390 PolarHBondContact OG-N 2.85Å; S388-E390 PolarHBondContact OG-OE2 3.29Å; E390-N392 VanDerWaalsContact C-N 3.33Å; E390-N392 PolarHBondContact O-N 3.4Å
391	L	95.1	Very high	96.2	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	13%	0.132	C	C	.	.			trans	59.1	39.8	-176.3	-50	178	0	0	0	112.7	L68 V338 V341 R342 V345 C352 L356 S388 D389	L68-L391 HydrophobicContact CD1-CD2 3.94Å; V338-L391 WeakPolarHBondContact CG2-O 3.25Å; V341-L391 HydrophobicContact CG1-CD1 3.96Å; R342-L391 HydrophobicContact CG-CB 3.95Å; R342-L391 HydrophobicContact CG-CD1 4.39Å; R342-L391 PolarHBondContact NH1-O 3Å; V345-L391 HydrophobicContact CG2-CD1 4.45Å; C352-L391 HydrophobicContact CB-CD1 4Å; C352-L391 HydrophobicContact CB-CD2 4.28Å; L356-L391 HydrophobicContact CD1-CD2 4.28Å; S388-L391 WeakPolarHBondContact O-CA 3.12Å; S388-L391 PolarHBondContact O-N 3.01Å; D389-L391 PolarHBondContact O-N 3.24Å
392	N	94.7	Very high	96.2	Very high	72 Å²	72	25.5 Å²	25.5	39%	0.385	13%	0.131	S	C	.	.			trans	-85.4	134.9	164.9	-63.8	-60.8	0	0	0	109.5	R342 L387 S388 E390 V394	R342-N392 PolarHBondContact NH1-OD1 3.26Å; L387-N392 CarbonylContact C-O 3.51Å; L387-N392 WeakPolarHBondContact CA-O 3.47Å; S388-N392 PolarHBondContact N-O 3.2Å; S388-N392 PolarHBondContact OG-N 2.7Å; S388-N392 PolarHBondContact OG-ND2 3.2Å; E390-N392 VanDerWaalsContact C-N 3.33Å; E390-N392 PolarHBondContact O-N 3.4Å; N392-V394 PolarHBondContact O-N 2.99Å
393	I	95.7	Very high	96.1	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.056	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.2	172.3	-60.1	162.1	0	0	0	108.8	F73 Y107 V338 L385 L387 Y406	F73-I393 HydrophobicContact CE2-CD1 4.24Å; Y107-I393 VanDerWaalsContact C-CD1 3.41Å; V338-I393 HydrophobicContact CB-CD1 3.8Å; V338-I393 HydrophobicContact CB-CG1 4.26Å; V338-I393 HydrophobicContact CG1-CD1 4.12Å; V338-I393 HydrophobicContact CG2-CD1 4.03Å; V338-I393 HydrophobicContact CG2-CG1 3.91Å; L385-I393 HydrophobicContact CD1-CG1 4.37Å; L387-I393 HydrophobicContact CD2-CB 4.34Å; L387-I393 HydrophobicContact CD2-CG1 3.67Å; I393-Y406 HydrophobicContact CB-CD2 4Å; I393-Y406 HydrophobicContact CB-CE2 3.61Å; I393-Y406 HydrophobicContact CG2-CD2 3.77Å; I393-Y406 HydrophobicContact CG2-CE2 3.54Å; I393-Y406 WeakPolarHBondContact O-CD2 3.46Å
394	V	97.1	Very high	95.9	Very high	28 Å²	28	30 Å²	30	17%	0.17	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-41.5	174	177.4	0	0	0	0	109.6	W6 L67 L386 N392 Y406	W6-V394 HydrophobicContact CD2-CG1 4.49Å; W6-V394 HydrophobicContact CE3-CG1 4.3Å; W6-V394 HydrophobicContact CH2-CG1 3.1Å; W6-V394 HydrophobicContact CZ2-CG1 3.29Å; W6-V394 HydrophobicContact CZ3-CG1 3.64Å; L67-V394 HydrophobicContact CD1-CB 4.15Å; L67-V394 HydrophobicContact CD1-CG1 3.84Å; L67-V394 HydrophobicContact CD1-CG2 4.28Å; L67-V394 HydrophobicContact CD2-CG2 4.08Å; L386-V394 HydrophobicContact CB-CB 4.4Å; L386-V394 PolarHBondContact O-N 3.21Å; N392-V394 PolarHBondContact O-N 2.99Å; V394-Y406 PolarHBondContact O-N 2.8Å
395	A	96.6	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.9	174.5	0	0	0	0	0	112.2	W6 L385 L386 F397 R402 Y404	W6-A395 HydrophobicContact CE3-CB 3.91Å; W6-A395 HydrophobicContact CZ3-CB 3.9Å; L385-A395 WeakPolarHBondContact CA-O 3.42Å; L386-A395 HydrophobicContact CB-CB 4.39Å; L386-A395 HydrophobicContact CD1-CB 4.47Å; L386-A395 PolarHBondContact N-O 2.94Å; L386-A395 PolarHBondContact O-N 3.35Å; A395-F397 HydrophobicContact CB-CD2 4.32Å; A395-F397 HydrophobicContact CB-CE2 3.64Å; A395-F397 HydrophobicContact CB-CZ 4.46Å; A395-R402 HydrophobicContact CB-CG 4.41Å; A395-Y404 VanDerWaalsContact CA-O 3.3Å; A395-Y404 WeakPolarHBondContact CA-O 3.41Å; A395-Y404 WeakPolarHBondContact CB-O 3.28Å
396	T	96.8	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134	174.8	-54.7	0	0	0	0	109.2	L105 T110 L385 V403 Y404	L105-T396 PolarHBondContact O-OG1 2.77Å; T110-T396 HydrophobicContact CG2-CG2 3.61Å; L385-T396 HydrophobicContact CD2-CG2 3.8Å; T396-V403 HydrophobicContact CG2-CG2 3.91Å; T396-V403 WeakPolarHBondContact O-CG2 3.49Å; T396-V403 PolarHBondContact O-N 3.16Å; T396-Y404 PolarHBondContact N-O 3.19Å; T396-Y404 PolarHBondContact O-N 3.14Å
397	F	96.9	Very high	94.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.1	179.3	-69.2	-105.3	0	0	0	111.1	V11 F21 D383 F384 L386 A395 R401 R402	V11-F397 HydrophobicContact CG1-CE1 3.67Å; V11-F397 HydrophobicContact CG1-CZ 4.13Å; F21-F397 HydrophobicContact CE1-CD1 4.29Å; F21-F397 AromaticContact CE1-CE1 3.77Å; F21-F397 HydrophobicContact CE1-CE1 3.77Å; F21-F397 HydrophobicContact CE1-CZ 4.2Å; F21-F397 HydrophobicContact CZ-CD1 4.33Å; F21-F397 HydrophobicContact CZ-CE1 4.15Å; D383-F397 WeakPolarHBondContact CA-O 3.37Å; F384-F397 HydrophobicContact CD1-CB 4.07Å; F384-F397 HydrophobicContact CD2-CB 4Å; F384-F397 AromaticContact CD2-CD2 3.88Å; F384-F397 HydrophobicContact CD2-CD2 3.88Å; F384-F397 HydrophobicContact CD2-CG 4.04Å; F384-F397 HydrophobicContact CE1-CB 3.86Å; F384-F397 HydrophobicContact CE1-CD1 4.46Å; F384-F397 HydrophobicContact CE1-CG 4.21Å; F384-F397 HydrophobicContact CE2-CB 3.79Å; F384-F397 AromaticContact CE2-CD1 3.95Å; F384-F397 HydrophobicContact CE2-CD1 3.95Å; F384-F397 AromaticContact CE2-CD2 3.42Å; F384-F397 HydrophobicContact CE2-CD2 3.42Å; F384-F397 VanDerWaalsContact CE2-CD2 3.42Å; F384-F397 HydrophobicContact CE2-CE1 4.39Å; F384-F397 AromaticContact CE2-CE2 3.94Å; F384-F397 HydrophobicContact CE2-CE2 3.94Å; F384-F397 AromaticContact CE2-CG 3.44Å; F384-F397 HydrophobicContact CE2-CG 3.44Å; F384-F397 VanDerWaalsContact CE2-CG 3.44Å; F384-F397 HydrophobicContact CE2-CZ 4.4Å; F384-F397 HydrophobicContact CG-CB 4.12Å; F384-F397 HydrophobicContact CZ-CB 3.69Å; F384-F397 AromaticContact CZ-CD1 3.67Å; F384-F397 HydrophobicContact CZ-CD1 3.67Å; F384-F397 HydrophobicContact CZ-CD2 4.01Å; F384-F397 HydrophobicContact CZ-CE1 4.27Å; F384-F397 AromaticContact CZ-CG 3.52Å; F384-F397 HydrophobicContact CZ-CG 3.52Å; F384-F397 PolarHBondContact N-O 3.31Å; F384-F397 PolarHBondContact O-N 3.05Å; L386-F397 HydrophobicContact CD1-CE2 3.79Å; L386-F397 HydrophobicContact CD1-CZ 4.22Å; L386-F397 HydrophobicContact CG-CE2 3.9Å; A395-F397 HydrophobicContact CB-CD2 4.32Å; A395-F397 HydrophobicContact CB-CE2 3.64Å; A395-F397 HydrophobicContact CB-CZ 4.46Å; F397-R401 CarbonylContact C-O 3.42Å; F397-R401 WeakPolarHBondContact CA-O 3.43Å; F397-R401 VanDerWaalsContact CD1-C 3.49Å; F397-R402 HydrophobicContact CD1-CB 4.07Å; F397-R402 HydrophobicContact CE1-CB 3.65Å; F397-R402 HydrophobicContact CE1-CG 4.43Å; F397-R402 HydrophobicContact CE2-CG 4.49Å; F397-R402 HydrophobicContact CZ-CB 3.89Å; F397-R402 HydrophobicContact CZ-CG 4.2Å
398	I	95.4	Very high	94.8	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	168.4	-68.9	178.4	0	0	0	107.3	L105 T110 D383 G400 R401 V403	L105-I398 HydrophobicContact CD2-CD1 3.64Å; T110-I398 HydrophobicContact CG2-CD1 4.03Å; T110-I398 HydrophobicContact CG2-CG1 3.61Å; D383-I398 WeakPolarHBondContact OD1-CA 3.44Å; I398-G400 PolarHBondContact O-N 2.94Å; I398-G400 VanDerWaalsContact O-N 3.11Å; I398-R401 PolarHBondContact N-O 2.87Å; I398-R401 WeakPolarHBondContact O-CB 3.36Å; I398-R401 PolarHBondContact O-N 2.93Å; I398-V403 HydrophobicContact CB-CG1 3.97Å; I398-V403 HydrophobicContact CB-CG2 4.42Å; I398-V403 HydrophobicContact CD1-CG1 4.37Å; I398-V403 HydrophobicContact CD1-CG2 4.07Å; I398-V403 HydrophobicContact CG1-CG1 4.29Å; I398-V403 HydrophobicContact CG1-CG2 3.93Å
399	D	94.2	Very high	94.6	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	36	-177.4	-59.9	-37.1	0	0	0	112.6	G42 A382 D383 R401	G42-D399 WeakPolarHBondContact CA-O 3.07Å; A382-D399 PolarHBondContact O-N 3.46Å; D383-D399 PolarHBondContact OD1-N 2.71Å; D399-R401 PolarHBondContact O-N 2.82Å; D399-R401 IonicContact OD2-NH2 2.71Å
400	G	94.5	Very high	94.6	Very high	7 Å²	7	42.8 Å²	42.8	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	3	-177.2	0	0	0	0	0	115.6	A382 I398	A382-G400 PolarHBondContact O-N 3.37Å; I398-G400 PolarHBondContact O-N 2.94Å; I398-G400 VanDerWaalsContact O-N 3.11Å
401	R	94.6	Very high	94.6	Very high	43 Å²	43	37.6 Å²	37.6	16%	0.162	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.7	179.7	-64.9	179.8	-66	154	-3.7	111.1	V12 E139 F397 I398 D399 V403	V12-R401 WeakPolarHBondContact O-CB 3.44Å; E139-R401 IonicContact OE2-CZ 2.63Å; E139-R401 IonicContact OE2-NH1 3.18Å; E139-R401 PolarHBondContact OE2-NH1 2.65Å; E139-R401 IonicContact OE2-NH2 3.84Å; F397-R401 CarbonylContact C-O 3.42Å; F397-R401 WeakPolarHBondContact CA-O 3.43Å; F397-R401 VanDerWaalsContact CD1-C 3.49Å; I398-R401 PolarHBondContact N-O 2.87Å; I398-R401 WeakPolarHBondContact O-CB 3.36Å; I398-R401 PolarHBondContact O-N 2.93Å; D399-R401 PolarHBondContact O-N 2.82Å; D399-R401 IonicContact OD2-NH2 2.71Å; R401-V403 PolarHBondContact O-N 3.16Å
402	R	95.4	Very high	94.6	Very high	21 Å²	21	39.7 Å²	39.7	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	109.8	179.5	-176.4	170.2	63.3	83.7	-4.2	110.5	W6 Y7 D8 D9 V11 A395 F397 K405	W6-R402 WeakPolarHBondContact O-CD 3.42Å; W6-R402 PolarHBondContact O-NE 3.1Å; Y7-R402 PolarHBondContact O-NH2 3.48Å; D8-R402 PolarHBondContact O-NH2 3.4Å; D9-R402 IonicContact OD1-NH2 2.69Å; V11-R402 HydrophobicContact CG1-CB 4.04Å; V11-R402 PolarHBondContact O-N 2.81Å; A395-R402 HydrophobicContact CB-CG 4.41Å; F397-R402 HydrophobicContact CD1-CB 4.07Å; F397-R402 HydrophobicContact CE1-CB 3.65Å; F397-R402 HydrophobicContact CE1-CG 4.43Å; F397-R402 HydrophobicContact CE2-CG 4.49Å; F397-R402 HydrophobicContact CZ-CB 3.89Å; F397-R402 HydrophobicContact CZ-CG 4.2Å; R402-K405 VanDerWaalsContact NH1-CD 3.27Å
403	V	94.7	Very high	94.6	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-17.2	179.1	-63	0	0	0	0	113.3	L105 T396 I398 R401	L105-V403 HydrophobicContact CD1-CB 4Å; L105-V403 HydrophobicContact CD1-CG2 3.86Å; L105-V403 HydrophobicContact CD2-CG2 4.25Å; L105-V403 HydrophobicContact CG-CG2 4.5Å; T396-V403 HydrophobicContact CG2-CG2 3.91Å; T396-V403 WeakPolarHBondContact O-CG2 3.49Å; T396-V403 PolarHBondContact O-N 3.16Å; I398-V403 HydrophobicContact CB-CG1 3.97Å; I398-V403 HydrophobicContact CB-CG2 4.42Å; I398-V403 HydrophobicContact CD1-CG1 4.37Å; I398-V403 HydrophobicContact CD1-CG2 4.07Å; I398-V403 HydrophobicContact CG1-CG1 4.29Å; I398-V403 HydrophobicContact CG1-CG2 3.93Å; R401-V403 PolarHBondContact O-N 3.16Å
404	Y	93.7	Very high	94.5	Very high	82 Å²	82	39.4 Å²	39.4	32%	0.322	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.4	174	-161.7	-95.9	0	0	0	111.5	K106 A395 T396 Y406	K106-Y404 HydrophobicContact CB-CD1 4.03Å; K106-Y404 HydrophobicContact CB-CD2 4.09Å; K106-Y404 HydrophobicContact CB-CE1 3.53Å; K106-Y404 HydrophobicContact CB-CE2 3.62Å; K106-Y404 HydrophobicContact CB-CG 4.28Å; A395-Y404 VanDerWaalsContact CA-O 3.3Å; A395-Y404 WeakPolarHBondContact CA-O 3.41Å; A395-Y404 WeakPolarHBondContact CB-O 3.28Å; T396-Y404 PolarHBondContact N-O 3.19Å; T396-Y404 PolarHBondContact O-N 3.14Å; Y404-Y406 AromaticContact CD1-CD2 3.74Å; Y404-Y406 HydrophobicContact CD1-CD2 3.74Å; Y404-Y406 AromaticContact CD1-CE2 3.67Å; Y404-Y406 HydrophobicContact CD1-CE2 3.67Å; Y404-Y406 HydrophobicContact CD1-CG 4.5Å; Y404-Y406 HydrophobicContact CE1-CD1 4.2Å; Y404-Y406 AromaticContact CE1-CD2 3.58Å; Y404-Y406 HydrophobicContact CE1-CD2 3.58Å; Y404-Y406 HydrophobicContact CE1-CE1 4.11Å; Y404-Y406 AromaticContact CE1-CE2 3.46Å; Y404-Y406 HydrophobicContact CE1-CE2 3.46Å; Y404-Y406 VanDerWaalsContact CE1-CE2 3.46Å; Y404-Y406 AromaticContact CE1-CG 3.97Å; Y404-Y406 HydrophobicContact CE1-CG 3.97Å; Y404-Y406 AromaticContact CE1-CZ 3.77Å
405	K	92.7	Very high	94.3	Very high	84 Å²	84	40.3 Å²	40.3	37%	0.365	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.1	174.4	165.2	178.7	165.2	-172.3	0	108.7	W6 Y7 R402	W6-K405 HydrophobicContact CH2-CG 4.46Å; W6-K405 HydrophobicContact CZ3-CD 4.21Å; W6-K405 HydrophobicContact CZ3-CG 4.02Å; Y7-K405 PolarHBondContact O-NZ 3.36Å; Y7-K405 VanDerWaalsContact O-NZ 3.07Å; R402-K405 VanDerWaalsContact NH1-CD 3.27Å
406	Y	86.1	Confident	94.1	Very high	149 Å²	149	44 Å²	44	58%	0.584	19%	0.193	S	C	*	.			trans	-83.6	0	179.3	-87.3	-88.9	0	0	0	113.8	K106 I393 V394 Y404	K106-Y406 VanDerWaalsContact C-OH 3.27Å; K106-Y406 WeakPolarHBondContact O-CE2 3.18Å; K106-Y406 VanDerWaalsContact O-CZ 3.27Å; K106-Y406 PolarHBondContact O-OH 2.62Å; I393-Y406 HydrophobicContact CB-CD2 4Å; I393-Y406 HydrophobicContact CB-CE2 3.61Å; I393-Y406 HydrophobicContact CG2-CD2 3.77Å; I393-Y406 HydrophobicContact CG2-CE2 3.54Å; I393-Y406 WeakPolarHBondContact O-CD2 3.46Å; V394-Y406 PolarHBondContact O-N 2.8Å; Y404-Y406 AromaticContact CD1-CD2 3.74Å; Y404-Y406 HydrophobicContact CD1-CD2 3.74Å; Y404-Y406 AromaticContact CD1-CE2 3.67Å; Y404-Y406 HydrophobicContact CD1-CE2 3.67Å; Y404-Y406 HydrophobicContact CD1-CG 4.5Å; Y404-Y406 HydrophobicContact CE1-CD1 4.2Å; Y404-Y406 AromaticContact CE1-CD2 3.58Å; Y404-Y406 HydrophobicContact CE1-CD2 3.58Å; Y404-Y406 HydrophobicContact CE1-CE1 4.11Å; Y404-Y406 AromaticContact CE1-CE2 3.46Å; Y404-Y406 HydrophobicContact CE1-CE2 3.46Å; Y404-Y406 VanDerWaalsContact CE1-CE2 3.46Å; Y404-Y406 AromaticContact CE1-CG 3.97Å; Y404-Y406 HydrophobicContact CE1-CG 3.97Å; Y404-Y406 AromaticContact CE1-CZ 3.77Å

Retrieved 406 of 406 residues in 2870.3 ms (Link to these results)

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