A0A5K4EYM9_SCHMA Loading...

Glucose-6-phosphate 1-epimerase

AlphaFold DB , UniProt , Accession A0A5K4EYM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

						>A0A5K4EYM9_SCHMA|A0A5K4EYM9
MVYGFMKIENLTQEYPSLTTYFEGEIISRLHPFMTGKWDATMETDVLHWEKIPATSSLGNFHIDSFDYSILETSDTIFMRWKEKFIVPDPGLKHIEGASFAGFYYIGLQKSIGHVLGYYYHLNSEMFQSLELKYKPESTPSIFQLR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	92.7	Very high	91.4	Very high	92 Å²	92	83.2 Å²	83.2	45%	0.453	41%	0.405	S	S	.	.				0	148.8	0	-65.9	-56.6	-71.8	0	0	109.1	Y3 E23 G24 E25	M1-Y3 HydrophobicContact CB-CE2 4.14Å; M1-E23 HydrophobicContact CE-CB 4.43Å; M1-G24 CarbonylContact C-O 3.54Å; M1-G24 WeakPolarHBondContact CA-O 3.39Å; M1-G24 VanDerWaalsContact CE-O 3.29Å; M1-G24 WeakPolarHBondContact CE-O 3.43Å; M1-G24 VanDerWaalsContact SD-O 3.4Å; M1-E25 HydrophobicContact CE-CG 3.96Å; M1-E25 HydrophobicContact SD-CB 4.36Å; M1-E25 HydrophobicContact SD-CG 3.96Å
2	V	95.1	Very high	90.3	Very high	54 Å²	54	79 Å²	79	33%	0.327	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.2	171	175.5	0	0	0	0	107.4	G24 I26 M79	V2-G24 PolarHBondContact N-O 3.14Å; V2-G24 WeakPolarHBondContact O-CA 3.5Å; V2-G24 PolarHBondContact O-N 2.88Å; V2-I26 HydrophobicContact CG2-CD1 3.87Å; V2-I26 HydrophobicContact CG2-CG1 4.05Å; V2-M79 HydrophobicContact CG2-SD 4.39Å
3	Y	96.8	Very high	89.5	Confident	131 Å²	131	88.8 Å²	88.8	51%	0.514	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.7	176.1	-53.9	-78.3	0	0	0	108.5	M1 Y21 E23	M1-Y3 HydrophobicContact CB-CE2 4.14Å; Y3-Y21 AromaticContact CD1-CZ 3.99Å; Y3-Y21 WeakPolarHBondContact CD1-OH 3.42Å; Y3-E23 HydrophobicContact CD1-CB 4.15Å; Y3-E23 HydrophobicContact CD1-CG 3.81Å; Y3-E23 HydrophobicContact CE1-CB 4.15Å; Y3-E23 HydrophobicContact CE1-CG 3.82Å
4	G	96.2	Very high	88.8	Confident	17 Å²	17	91.4 Å²	91.4	18%	0.175	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-175.8	178.5	0	0	0	0	0	113.4	Y21 F22	G4-Y21 WeakPolarHBondContact O-CD2 3.43Å; G4-F22 VanDerWaalsContact C-CD1 3.46Å; G4-F22 PolarHBondContact N-O 3.07Å; G4-F22 VanDerWaalsContact O-CD1 3.32Å; G4-F22 WeakPolarHBondContact O-CD1 3.18Å; G4-F22 PolarHBondContact O-N 2.68Å
5	F	95.8	Very high	88.1	Confident	134 Å²	134	89.6 Å²	89.6	59%	0.588	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	173.6	-59.1	-78.7	0	0	0	109.2	T19 T20 Y21 V87	F5-T19 HydrophobicContact CB-CG2 4Å; F5-T19 HydrophobicContact CD1-CG2 4.46Å; F5-T20 CarbonylContact C-O 3.46Å; F5-T20 WeakPolarHBondContact CA-O 3.35Å; F5-Y21 HydrophobicContact CD1-CD2 4.37Å; F5-Y21 AromaticContact CE1-CD2 3.9Å; F5-Y21 HydrophobicContact CE1-CD2 3.9Å; F5-Y21 HydrophobicContact CE1-CG 4.47Å; F5-Y21 HydrophobicContact CZ-CD2 4.27Å; F5-V87 HydrophobicContact CD1-CG2 4.22Å; F5-V87 HydrophobicContact CE1-CG2 3.93Å
6	M	94.7	Very high	87.9	Confident	13 Å²	13	88.6 Å²	88.6	6%	0.064	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125	172.3	-167.2	178.5	-47.7	0	0	108	T19 T20 F22 W81 Y104 L130	M6-T19 CarbonylContact O-C 3.57Å; M6-T19 VanDerWaalsContact O-CA 3.28Å; M6-T19 WeakPolarHBondContact O-CA 3.28Å; M6-T20 PolarHBondContact N-O 3.49Å; M6-T20 PolarHBondContact O-N 2.62Å; M6-T20 PolarHBondContact O-OG1 3.49Å; M6-F22 HydrophobicContact CB-CD1 4.19Å; M6-F22 HydrophobicContact CE-CD1 4.4Å; M6-W81 HydrophobicContact CE-CE3 3.71Å; M6-W81 HydrophobicContact CE-CZ3 4.26Å; M6-Y104 HydrophobicContact CE-CD2 3.97Å; M6-Y104 HydrophobicContact CE-CE2 3.75Å; M6-Y104 HydrophobicContact SD-CE1 4.49Å; M6-Y104 HydrophobicContact SD-CE2 4.05Å; M6-L130 HydrophobicContact CE-CD2 4.37Å; M6-L130 HydrophobicContact SD-CD2 4.37Å
7	K	93	Very high	87.9	Confident	120 Å²	120	86.3 Å²	86.3	52%	0.522	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.6	176.7	-168.6	-179	-167.6	-155.6	0	109.3	E9 S17 L18	K7-E9 WeakPolarHBondContact CD-OE1 3.42Å; K7-E9 WeakPolarHBondContact CE-OE1 2.91Å; K7-E9 IonicContact NZ-OE1 2.58Å; K7-E9 PolarHBondContact NZ-OE1 3.31Å; K7-S17 WeakPolarHBondContact CE-OG 3.33Å; K7-S17 PolarHBondContact NZ-OG 3.24Å; K7-L18 CarbonylContact C-O 3.28Å; K7-L18 WeakPolarHBondContact CA-O 3.3Å
8	I	88.9	Confident	88	Confident	55 Å²	55	82.1 Å²	82.1	28%	0.282	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	175.5	-55	174	0	0	0	107.6	L11 S17 L18	I8-L11 HydrophobicContact CG2-CB 4.38Å; I8-L11 HydrophobicContact CG2-CD1 4.17Å; I8-S17 WeakPolarHBondContact O-CA 3.45Å; I8-L18 PolarHBondContact N-O 2.84Å; I8-L18 PolarHBondContact O-N 3.3Å
9	E	88.8	Confident	88.3	Confident	95 Å²	95	79.6 Å²	79.6	44%	0.444	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.4	176.3	-57.8	-72.7	177.4	0	0	109.6	K7 L11 P16 S17	K7-E9 WeakPolarHBondContact CD-OE1 3.42Å; K7-E9 WeakPolarHBondContact CE-OE1 2.91Å; K7-E9 IonicContact NZ-OE1 2.58Å; K7-E9 PolarHBondContact NZ-OE1 3.31Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 2.72Å; E9-P16 CarbonylContact C-O 3.43Å; E9-P16 WeakPolarHBondContact CA-O 3.37Å; E9-S17 VanDerWaalsContact OE2-CB 3.28Å; E9-S17 WeakPolarHBondContact OE2-CB 3.15Å
10	N	84.1	Confident	88.7	Confident	147 Å²	147	75.7 Å²	75.7	79%	0.786	38%	0.378	S	S	*	.	S	Bend	trans	57.6	36.6	179.2	-50.8	-59.7	0	0	0	114.4	P16	N10-P16 PolarHBondContact N-O 3.47Å
11	L	78.9	Confident	89	Confident	57 Å²	57	74.2 Å²	74.2	30%	0.298	37%	0.368	S	S	.	.	S	Bend	trans	-72.8	-53.3	-177.3	-172	63.6	0	0	0	112	I8 E9 L18 A98	I8-L11 HydrophobicContact CG2-CB 4.38Å; I8-L11 HydrophobicContact CG2-CD1 4.17Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 2.72Å; L11-L18 HydrophobicContact CD2-CB 3.77Å; L11-L18 HydrophobicContact CD2-CD2 3.53Å; L11-L18 HydrophobicContact CD2-CG 4.28Å; L11-A98 HydrophobicContact CD1-CB 3.94Å; L11-A98 HydrophobicContact CD2-CB 3.49Å; L11-A98 VanDerWaalsContact CD2-CB 3.49Å; L11-A98 HydrophobicContact CG-CB 3.71Å
12	T	78.9	Confident	89.3	Confident	33 Å²	33	70.5 Å²	70.5	20%	0.202	35%	0.349	C	S	.	.			trans	-144.3	170.2	175.3	74.9	0	0	0	0	111	E14 Y15 P16 E96	T12-E14 VanDerWaalsContact C-N 3.32Å; T12-E14 PolarHBondContact OG1-N 3.41Å; T12-Y15 PolarHBondContact N-O 3.19Å; T12-Y15 CarbonylContact O-C 3.6Å; T12-Y15 VanDerWaalsContact O-C 3.28Å; T12-Y15 PolarHBondContact OG1-N 3.28Å; T12-P16 WeakPolarHBondContact O-CA 2.93Å; T12-E96 WeakPolarHBondContact CG2-O 3.28Å
13	Q	79.3	Confident	89.4	Confident	207 Å²	207	70.9 Å²	70.9	97%	0.967	35%	0.348	S	S	*	.	S	Bend	trans	-63.8	-37.7	174.6	-74.3	-171.4	-6.1	0	0	112.5
14	E	79.4	Confident	89.5	Confident	124 Å²	124	64.6 Å²	64.6	58%	0.579	32%	0.323	S	S	*	.	S	Bend	trans	-78.9	-34.2	-178.4	-167.1	-176.7	174.5	0	0	111.9	T12 P16	T12-E14 VanDerWaalsContact C-N 3.32Å; T12-E14 PolarHBondContact OG1-N 3.41Å; E14-P16 WeakPolarHBondContact O-CD 3.45Å
15	Y	78.8	Confident	89.6	Confident	65 Å²	65	64.6 Å²	64.6	26%	0.255	32%	0.318	S	S	.	.			trans	-122.5	75.9	178.8	-61	-86.5	0	0	0	109.6	T12 S17 L92 I95	T12-Y15 PolarHBondContact N-O 3.19Å; T12-Y15 CarbonylContact O-C 3.6Å; T12-Y15 VanDerWaalsContact O-C 3.28Å; T12-Y15 PolarHBondContact OG1-N 3.28Å; Y15-S17 PolarHBondContact O-N 2.99Å; Y15-L92 HydrophobicContact CE1-CD2 3.83Å; Y15-I95 HydrophobicContact CD2-CG1 4.43Å; Y15-I95 HydrophobicContact CD2-CG2 3.58Å; Y15-I95 HydrophobicContact CE2-CG1 4.48Å; Y15-I95 HydrophobicContact CE2-CG2 4.1Å; Y15-I95 HydrophobicContact CG-CG2 4.17Å
16	P	84.9	Confident	89.7	Confident	74 Å²	74	61 Å²	61	48%	0.481	31%	0.305	S	S	.	.	S	Bend	trans	-66.7	-18.6	-179.5	27.8	-36	0	0	0	112.4	E9 N10 T12 E14	E9-P16 CarbonylContact C-O 3.43Å; E9-P16 WeakPolarHBondContact CA-O 3.37Å; N10-P16 PolarHBondContact N-O 3.47Å; T12-P16 WeakPolarHBondContact O-CA 2.93Å; E14-P16 WeakPolarHBondContact O-CD 3.45Å
17	S	88	Confident	89.8	Confident	49 Å²	49	60.8 Å²	60.8	34%	0.343	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	115.8	178.3	158.6	0	0	0	0	108.4	K7 I8 E9 Y15	K7-S17 WeakPolarHBondContact CE-OG 3.33Å; K7-S17 PolarHBondContact NZ-OG 3.24Å; I8-S17 WeakPolarHBondContact O-CA 3.45Å; E9-S17 VanDerWaalsContact OE2-CB 3.28Å; E9-S17 WeakPolarHBondContact OE2-CB 3.15Å; Y15-S17 PolarHBondContact O-N 2.99Å
18	L	90.4	Very high	90	Very high	11 Å²	11	57 Å²	57	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.8	175.3	-172.8	66.8	0	0	0	110.2	K7 I8 L11 T20 I86 I95	K7-L18 CarbonylContact C-O 3.28Å; K7-L18 WeakPolarHBondContact CA-O 3.3Å; I8-L18 PolarHBondContact N-O 2.84Å; I8-L18 PolarHBondContact O-N 3.3Å; L11-L18 HydrophobicContact CD2-CB 3.77Å; L11-L18 HydrophobicContact CD2-CD2 3.53Å; L11-L18 HydrophobicContact CD2-CG 4.28Å; L18-T20 HydrophobicContact CD2-CG2 4.19Å; L18-T20 HydrophobicContact CG-CG2 4.29Å; L18-I86 HydrophobicContact CD1-CB 4.4Å; L18-I86 HydrophobicContact CD1-CD1 3.89Å; L18-I86 HydrophobicContact CD1-CG1 3.89Å; L18-I86 HydrophobicContact CD1-CG2 3.62Å; L18-I95 HydrophobicContact CD1-CD1 3.32Å; L18-I95 HydrophobicContact CD2-CD1 3.51Å; L18-I95 HydrophobicContact CG-CD1 4.03Å
19	T	94	Very high	90.2	Very high	34 Å²	34	63.3 Å²	63.3	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.3	170.8	-50.7	0	0	0	0	110.1	F5 M6 I86 V87	F5-T19 HydrophobicContact CB-CG2 4Å; F5-T19 HydrophobicContact CD1-CG2 4.46Å; M6-T19 CarbonylContact O-C 3.57Å; M6-T19 VanDerWaalsContact O-CA 3.28Å; M6-T19 WeakPolarHBondContact O-CA 3.28Å; T19-I86 WeakPolarHBondContact O-CA 3.45Å; T19-V87 PolarHBondContact O-N 2.87Å
20	T	95.1	Very high	90.5	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.3	176.6	56.2	0	0	0	0	110.6	F5 M6 L18 E83 F85 I86 F100	F5-T20 CarbonylContact C-O 3.46Å; F5-T20 WeakPolarHBondContact CA-O 3.35Å; M6-T20 PolarHBondContact N-O 3.49Å; M6-T20 PolarHBondContact O-N 2.62Å; M6-T20 PolarHBondContact O-OG1 3.49Å; L18-T20 HydrophobicContact CD2-CG2 4.19Å; L18-T20 HydrophobicContact CG-CG2 4.29Å; T20-E83 VanDerWaalsContact CB-OE1 3.23Å; T20-E83 WeakPolarHBondContact CB-OE1 3.22Å; T20-E83 WeakPolarHBondContact CG2-OE1 3.45Å; T20-E83 PolarHBondContact OG1-OE1 2.66Å; T20-F85 CarbonylContact C-O 3.52Å; T20-F85 VanDerWaalsContact CA-O 3.31Å; T20-F85 WeakPolarHBondContact CA-O 3.21Å; T20-I86 HydrophobicContact CG2-CG1 4.14Å; T20-F100 HydrophobicContact CG2-CB 4.49Å; T20-F100 HydrophobicContact CG2-CG 4.39Å
21	Y	96.4	Very high	91.1	Very high	46 Å²	46	60.1 Å²	60.1	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.3	165.4	172.1	-100.3	0	0	0	109.3	Y3 G4 F5 E23 E83 K84 F85	Y3-Y21 AromaticContact CD1-CZ 3.99Å; Y3-Y21 WeakPolarHBondContact CD1-OH 3.42Å; G4-Y21 WeakPolarHBondContact O-CD2 3.43Å; F5-Y21 HydrophobicContact CD1-CD2 4.37Å; F5-Y21 AromaticContact CE1-CD2 3.9Å; F5-Y21 HydrophobicContact CE1-CD2 3.9Å; F5-Y21 HydrophobicContact CE1-CG 4.47Å; F5-Y21 HydrophobicContact CZ-CD2 4.27Å; Y21-E23 HydrophobicContact CE1-CG 3.77Å; Y21-E83 WeakPolarHBondContact O-CA 3.24Å; Y21-K84 HydrophobicContact CD1-CB 4.1Å; Y21-K84 HydrophobicContact CD1-CG 4.15Å; Y21-K84 HydrophobicContact CE1-CG 4.33Å; Y21-K84 PolarHBondContact O-N 3.48Å; Y21-F85 HydrophobicContact CD1-CD1 4.21Å; Y21-F85 AromaticContact CD1-CE1 3.45Å; Y21-F85 HydrophobicContact CD1-CE1 3.45Å; Y21-F85 VanDerWaalsContact CD1-CE1 3.45Å; Y21-F85 HydrophobicContact CD1-CE2 4.27Å; Y21-F85 AromaticContact CD1-CZ 3.48Å; Y21-F85 HydrophobicContact CD1-CZ 3.48Å; Y21-F85 VanDerWaalsContact CD1-CZ 3.48Å; Y21-F85 HydrophobicContact CE1-CE1 4.1Å; Y21-F85 HydrophobicContact CE1-CZ 4.25Å; Y21-F85 HydrophobicContact CG-CE1 4.08Å; Y21-F85 HydrophobicContact CG-CE2 4.06Å; Y21-F85 AromaticContact CG-CZ 3.64Å; Y21-F85 HydrophobicContact CG-CZ 3.64Å; Y21-F85 PolarHBondContact N-O 2.96Å
22	F	97.6	Very high	92	Very high	13 Å²	13	60 Å²	60	6%	0.057	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.2	176	74.5	-95.8	0	0	0	112.7	G4 M6 W81 K82 E83	G4-F22 VanDerWaalsContact C-CD1 3.46Å; G4-F22 PolarHBondContact N-O 3.07Å; G4-F22 VanDerWaalsContact O-CD1 3.32Å; G4-F22 WeakPolarHBondContact O-CD1 3.18Å; G4-F22 PolarHBondContact O-N 2.68Å; M6-F22 HydrophobicContact CB-CD1 4.19Å; M6-F22 HydrophobicContact CE-CD1 4.4Å; F22-W81 HydrophobicContact CD2-CB 3.93Å; F22-W81 HydrophobicContact CD2-CD2 4.08Å; F22-W81 AromaticContact CD2-CG 3.81Å; F22-W81 HydrophobicContact CD2-CG 3.81Å; F22-W81 HydrophobicContact CE1-CE3 4.38Å; F22-W81 HydrophobicContact CE2-CB 4.38Å; F22-W81 AromaticContact CE2-CD1 3.95Å; F22-W81 AromaticContact CE2-CD2 3.64Å; F22-W81 HydrophobicContact CE2-CD2 3.64Å; F22-W81 AromaticContact CE2-CE2 3.82Å; F22-W81 HydrophobicContact CE2-CE3 4.15Å; F22-W81 AromaticContact CE2-CG 3.76Å; F22-W81 HydrophobicContact CE2-CG 3.76Å; F22-W81 HydrophobicContact CE2-CZ2 4.42Å; F22-W81 AromaticContact CE2-NE1 3.99Å; F22-W81 HydrophobicContact CG-CB 4.46Å; F22-W81 AromaticContact CZ-CD2 3.97Å; F22-W81 HydrophobicContact CZ-CD2 3.97Å; F22-W81 HydrophobicContact CZ-CE3 4.05Å; F22-W81 HydrophobicContact CZ-CH2 4.34Å; F22-W81 HydrophobicContact CZ-CZ2 4.29Å; F22-W81 HydrophobicContact CZ-CZ3 4.23Å; F22-K82 WeakPolarHBondContact CA-O 3.31Å; F22-E83 HydrophobicContact CB-CG 4.34Å
23	E	98	Very high	92.9	Very high	62 Å²	62	58.4 Å²	58.4	29%	0.29	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.5	166.7	-57.8	-177	165.9	0	0	109.2	M1 Y3 Y21 K82 K84	M1-E23 HydrophobicContact CE-CB 4.43Å; Y3-E23 HydrophobicContact CD1-CB 4.15Å; Y3-E23 HydrophobicContact CD1-CG 3.81Å; Y3-E23 HydrophobicContact CE1-CB 4.15Å; Y3-E23 HydrophobicContact CE1-CG 3.82Å; Y21-E23 HydrophobicContact CE1-CG 3.77Å; E23-K82 PolarHBondContact N-O 3.09Å; E23-K82 PolarHBondContact O-N 2.88Å; E23-K84 HydrophobicContact CG-CG 4.04Å; E23-K84 WeakPolarHBondContact OE2-CE 3.04Å; E23-K84 IonicContact OE2-NZ 2.62Å; E23-K84 PolarHBondContact OE2-NZ 2.96Å
24	G	98.2	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.1	-176.5	0	0	0	0	0	112.1	M1 V2 R80	M1-G24 CarbonylContact C-O 3.54Å; M1-G24 WeakPolarHBondContact CA-O 3.39Å; M1-G24 VanDerWaalsContact CE-O 3.29Å; M1-G24 WeakPolarHBondContact CE-O 3.43Å; M1-G24 VanDerWaalsContact SD-O 3.4Å; V2-G24 PolarHBondContact N-O 3.14Å; V2-G24 WeakPolarHBondContact O-CA 3.5Å; V2-G24 PolarHBondContact O-N 2.88Å; G24-R80 CarbonylContact C-O 3.42Å; G24-R80 VanDerWaalsContact CA-O 3.25Å; G24-R80 WeakPolarHBondContact CA-O 3.11Å
25	E	98.3	Very high	94.6	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.4	168.1	-59.4	-170.6	149.1	0	0	109.3	M1 H31 K37 M79 R80	M1-E25 HydrophobicContact CE-CG 3.96Å; M1-E25 HydrophobicContact SD-CB 4.36Å; M1-E25 HydrophobicContact SD-CG 3.96Å; E25-H31 HydrophobicContact CB-CB 4.15Å; E25-H31 VanDerWaalsContact CD-ND1 3.29Å; E25-H31 IonicContact OE1-CE1 3.17Å; E25-H31 PolarHBondContact OE1-CE1 2.83Å; E25-H31 IonicContact OE1-ND1 3.33Å; E25-H31 PolarHBondContact OE1-ND1 3.26Å; E25-H31 IonicContact OE2-ND1 3.22Å; E25-K37 VanDerWaalsContact CD-NZ 3.28Å; E25-K37 IonicContact OE1-NZ 3.06Å; E25-K37 PolarHBondContact OE1-NZ 3.46Å; E25-K37 IonicContact OE2-NZ 3.55Å; E25-K37 PolarHBondContact OE2-NZ 2.88Å; E25-M79 CarbonylContact O-C 3.55Å; E25-M79 WeakPolarHBondContact O-CA 3.06Å; E25-M79 VanDerWaalsContact O-CB 3.28Å; E25-M79 WeakPolarHBondContact O-CB 3.39Å; E25-R80 PolarHBondContact N-O 3.5Å; E25-R80 PolarHBondContact O-N 3.14Å; E25-R80 IonicContact OE2-CZ 3.27Å; E25-R80 IonicContact OE2-NE 2.75Å; E25-R80 PolarHBondContact OE2-NE 3.36Å; E25-R80 VanDerWaalsContact OE2-NE 3.17Å; E25-R80 IonicContact OE2-NH2 4Å; E25-R80 PolarHBondContact OE2-NH2 3.2Å
26	I	98.2	Very high	95.4	Very high	60 Å²	60	45.9 Å²	45.9	31%	0.308	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.1	170.4	-59.9	172.3	0	0	0	107.7	V2 S28 I77 M79	V2-I26 HydrophobicContact CG2-CD1 3.87Å; V2-I26 HydrophobicContact CG2-CG1 4.05Å; I26-S28 PolarHBondContact O-N 3.46Å; I26-S28 PolarHBondContact O-OG 3.25Å; I26-I77 HydrophobicContact CG2-CG2 3.88Å; I26-M79 HydrophobicContact CB-CG 4.48Å; I26-M79 HydrophobicContact CG1-CG 4.05Å; I26-M79 HydrophobicContact CG1-SD 4.31Å
27	I	97.8	Very high	96	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.041	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62	125.6	179.9	-57.6	-55.3	0	0	0	109.9	H31 F33 W49 Y68 L71 F78 R80	I27-H31 VanDerWaalsContact CA-O 3.3Å; I27-H31 WeakPolarHBondContact CA-O 3.5Å; I27-F33 HydrophobicContact CG1-CE1 4.43Å; I27-F33 HydrophobicContact CG2-CD1 3.99Å; I27-F33 HydrophobicContact CG2-CD2 3.65Å; I27-F33 HydrophobicContact CG2-CE1 3.94Å; I27-F33 HydrophobicContact CG2-CE2 3.6Å; I27-F33 HydrophobicContact CG2-CG 3.84Å; I27-F33 HydrophobicContact CG2-CZ 3.73Å; I27-W49 HydrophobicContact CD1-CH2 4Å; I27-W49 HydrophobicContact CD1-CZ2 3.73Å; I27-W49 HydrophobicContact CG1-CH2 3.87Å; I27-W49 HydrophobicContact CG1-CZ2 4Å; I27-Y68 HydrophobicContact CG2-CE1 4.11Å; I27-L71 HydrophobicContact CG2-CD1 4.05Å; I27-F78 HydrophobicContact CB-CB 3.84Å; I27-F78 HydrophobicContact CG1-CB 3.58Å; I27-F78 WeakPolarHBondContact CG1-O 3.39Å; I27-F78 PolarHBondContact N-O 2.93Å; I27-R80 HydrophobicContact CD1-CG 4.48Å
28	S	95.9	Very high	96.4	Very high	39 Å²	39	47 Å²	47	27%	0.273	24%	0.244	S	C	.	.	S	Bend	trans	-166.8	-179	-172.7	59.2	0	0	0	0	109.2	I26 L30 H31 Y68	I26-S28 PolarHBondContact O-N 3.46Å; I26-S28 PolarHBondContact O-OG 3.25Å; S28-L30 PolarHBondContact O-N 3.02Å; S28-L30 VanDerWaalsContact O-N 3.17Å; S28-L30 PolarHBondContact OG-N 3.15Å; S28-H31 PolarHBondContact N-O 3.24Å; S28-H31 CarbonylContact O-C 2.97Å; S28-H31 PolarHBondContact O-N 3.45Å; S28-H31 PolarHBondContact OG-N 3.27Å; S28-Y68 VanDerWaalsContact C-CE1 3.44Å; S28-Y68 WeakPolarHBondContact O-CE1 3.44Å
29	R	94	Very high	96.7	Very high	189 Å²	189	51.7 Å²	51.7	71%	0.713	27%	0.269	S	S	*	.	S	Bend	trans	-56.5	-29.8	171.4	-66.5	-176.5	-176	-177.5	1.7	113.3	Y68	R29-Y68 HydrophobicContact CB-CD2 4.41Å; R29-Y68 HydrophobicContact CG-CD2 3.49Å; R29-Y68 VanDerWaalsContact CG-CD2 3.49Å; R29-Y68 HydrophobicContact CG-CE2 4.26Å; R29-Y68 HydrophobicContact CG-CG 3.76Å
30	L	95	Very high	96.9	Very high	139 Å²	139	50.5 Å²	50.5	73%	0.728	26%	0.263	S	S	*	.	S	Bend	trans	-78.4	-30.6	178.1	-178.9	61.6	0	0	0	112.5	S28	S28-L30 PolarHBondContact O-N 3.02Å; S28-L30 VanDerWaalsContact O-N 3.17Å; S28-L30 PolarHBondContact OG-N 3.15Å
31	H	96.4	Very high	97	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.162	29%	0.285	C	S	.	.	S	Bend	trans	-130.3	80	178.7	-60.4	-74.4	0	0	0	108.7	E25 I27 S28	E25-H31 HydrophobicContact CB-CB 4.15Å; E25-H31 VanDerWaalsContact CD-ND1 3.29Å; E25-H31 IonicContact OE1-CE1 3.17Å; E25-H31 PolarHBondContact OE1-CE1 2.83Å; E25-H31 IonicContact OE1-ND1 3.33Å; E25-H31 PolarHBondContact OE1-ND1 3.26Å; E25-H31 IonicContact OE2-ND1 3.22Å; I27-H31 VanDerWaalsContact CA-O 3.3Å; I27-H31 WeakPolarHBondContact CA-O 3.5Å; S28-H31 PolarHBondContact N-O 3.24Å; S28-H31 CarbonylContact O-C 2.97Å; S28-H31 PolarHBondContact O-N 3.45Å; S28-H31 PolarHBondContact OG-N 3.27Å
32	P	96.9	Very high	96.9	Very high	54 Å²	54	58 Å²	58	35%	0.351	31%	0.306	S	S	.	.			trans	-55.9	166	-177.9	-29.3	38.2	0	0	0	113.6	M34 Y68 R80	P32-M34 VanDerWaalsContact C-N 3.26Å; P32-M34 PolarHBondContact O-N 3.26Å; P32-Y68 VanDerWaalsContact CA-OH 3.22Å; P32-Y68 WeakPolarHBondContact CA-OH 3.42Å; P32-Y68 VanDerWaalsContact CB-OH 3.26Å; P32-Y68 WeakPolarHBondContact CB-OH 3.45Å; P32-R80 PolarHBondContact O-NH1 3.32Å; P32-R80 PolarHBondContact O-NH2 2.96Å
33	F	97.8	Very high	96.9	Very high	1 Å²	1	64 Å²	64	0%	0.004	34%	0.335	C	S	.	.	S	Bend	trans	-59	-40.1	173.1	-84.3	-79.1	0	0	0	112.2	I27 T35 W49 L58 F61 F66 Y68 L71 F78 R80	I27-F33 HydrophobicContact CG1-CE1 4.43Å; I27-F33 HydrophobicContact CG2-CD1 3.99Å; I27-F33 HydrophobicContact CG2-CD2 3.65Å; I27-F33 HydrophobicContact CG2-CE1 3.94Å; I27-F33 HydrophobicContact CG2-CE2 3.6Å; I27-F33 HydrophobicContact CG2-CG 3.84Å; I27-F33 HydrophobicContact CG2-CZ 3.73Å; F33-T35 PolarHBondContact O-N 3.3Å; F33-W49 AromaticContact CD1-CD1 3.81Å; F33-W49 AromaticContact CD1-CD2 3.72Å; F33-W49 HydrophobicContact CD1-CD2 3.72Å; F33-W49 AromaticContact CD1-CE2 3.62Å; F33-W49 HydrophobicContact CD1-CE3 4.33Å; F33-W49 AromaticContact CD1-CG 3.86Å; F33-W49 HydrophobicContact CD1-CG 3.86Å; F33-W49 HydrophobicContact CD1-CZ2 4.19Å; F33-W49 AromaticContact CD1-NE1 3.68Å; F33-W49 HydrophobicContact CE1-CD2 4.08Å; F33-W49 HydrophobicContact CE1-CE3 4.24Å; F33-W49 HydrophobicContact CE1-CG 4.42Å; F33-W49 PolarHBondContact O-NE1 2.84Å; F33-L58 HydrophobicContact CE1-CD1 4.14Å; F33-L58 HydrophobicContact CE2-CD1 3.88Å; F33-L58 HydrophobicContact CZ-CD1 3.36Å; F33-F61 HydrophobicContact CB-CD2 3.8Å; F33-F61 HydrophobicContact CD1-CD2 4.09Å; F33-F61 HydrophobicContact CD2-CB 3.77Å; F33-F61 HydrophobicContact CD2-CD2 4.35Å; F33-F61 HydrophobicContact CD2-CG 4.46Å; F33-F61 HydrophobicContact CE2-CB 4.04Å; F33-F61 HydrophobicContact CG-CB 4.13Å; F33-F61 AromaticContact CG-CD2 3.83Å; F33-F61 HydrophobicContact CG-CD2 3.83Å; F33-F61 HydrophobicContact CG-CG 4.34Å; F33-F66 HydrophobicContact CD2-CD1 4.4Å; F33-F66 HydrophobicContact CD2-CE1 4.19Å; F33-F66 HydrophobicContact CE2-CD1 4.38Å; F33-F66 AromaticContact CE2-CE1 3.73Å; F33-F66 HydrophobicContact CE2-CE1 3.73Å; F33-F66 HydrophobicContact CE2-CZ 4.12Å; F33-Y68 HydrophobicContact CD2-CE1 4.28Å; F33-L71 HydrophobicContact CE2-CD1 4.02Å; F33-L71 HydrophobicContact CE2-CD2 4.37Å; F33-L71 HydrophobicContact CZ-CD1 4.29Å; F33-L71 HydrophobicContact CZ-CD2 4.26Å; F33-F78 HydrophobicContact CE1-CB 4.05Å; F33-F78 HydrophobicContact CE1-CD1 4.05Å; F33-F78 HydrophobicContact CE1-CD2 4.32Å; F33-F78 AromaticContact CE1-CG 3.88Å; F33-F78 HydrophobicContact CE1-CG 3.88Å; F33-F78 HydrophobicContact CZ-CB 4.29Å; F33-F78 HydrophobicContact CZ-CD1 4.46Å; F33-F78 AromaticContact CZ-CD2 3.95Å; F33-F78 HydrophobicContact CZ-CD2 3.95Å; F33-F78 HydrophobicContact CZ-CE2 4.41Å; F33-F78 AromaticContact CZ-CG 3.98Å; F33-F78 HydrophobicContact CZ-CG 3.98Å; F33-R80 PolarHBondContact O-NH1 2.86Å; F33-R80 VanDerWaalsContact O-NH1 3.16Å
34	M	97.2	Very high	96.8	Very high	44 Å²	44	61.8 Å²	61.8	22%	0.217	33%	0.325	C	S	.	.	S	Bend	trans	-71.5	119.3	175.4	-58.5	-57	96.2	0	0	109.4	P32 M42 D45 V46 F61 H62	P32-M34 VanDerWaalsContact C-N 3.26Å; P32-M34 PolarHBondContact O-N 3.26Å; M34-M42 HydrophobicContact SD-CB 4.18Å; M34-M42 HydrophobicContact SD-CG 3.61Å; M34-D45 WeakPolarHBondContact CA-OD2 3.41Å; M34-D45 HydrophobicContact CE-CB 3.64Å; M34-D45 HydrophobicContact SD-CB 3.98Å; M34-V46 HydrophobicContact CE-CG2 4.39Å; M34-F61 HydrophobicContact CE-CD2 4Å; M34-F61 HydrophobicContact CE-CE2 3.84Å; M34-H62 HydrophobicContact CE-CB 3.88Å; M34-H62 HydrophobicContact SD-CB 4.02Å
35	T	97.5	Very high	96.8	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.08	33%	0.326	C	S	.	.			trans	-75.9	-43.6	-168	-63.5	0	0	0	0	111.2	F33 K37 W38 A40 D45 R80 F103	F33-T35 PolarHBondContact O-N 3.3Å; T35-K37 HydrophobicContact CG2-CG 3.69Å; T35-K37 WeakPolarHBondContact CG2-O 3.35Å; T35-K37 WeakPolarHBondContact O-CG 3.39Å; T35-K37 PolarHBondContact O-N 3.36Å; T35-K37 VanDerWaalsContact O-N 3.12Å; T35-W38 HydrophobicContact CG2-CD2 4.48Å; T35-W38 HydrophobicContact CG2-CE3 3.73Å; T35-W38 HydrophobicContact CG2-CZ3 4.22Å; T35-A40 HydrophobicContact CG2-CB 4.22Å; T35-D45 VanDerWaalsContact CB-OD1 3.23Å; T35-D45 WeakPolarHBondContact CB-OD1 3.31Å; T35-D45 PolarHBondContact N-OD1 3.02Å; T35-D45 PolarHBondContact N-OD2 2.78Å; T35-D45 PolarHBondContact OG1-OD1 3.45Å; T35-R80 VanDerWaalsContact OG1-CD 3.24Å; T35-R80 WeakPolarHBondContact OG1-CD 3.33Å; T35-R80 PolarHBondContact OG1-NH1 2.92Å; T35-F103 HydrophobicContact CG2-CE1 4.49Å; T35-F103 HydrophobicContact CG2-CE2 4.43Å; T35-F103 HydrophobicContact CG2-CZ 3.96Å
36	G	95.8	Very high	96.7	Very high	76 Å²	76	62.4 Å²	62.4	78%	0.784	33%	0.33	S	S	*	.			trans	64.2	13.1	176.7	0	0	0	0	0	115.1
37	K	97.4	Very high	96.7	Very high	78 Å²	78	63 Å²	63	34%	0.339	33%	0.333	S	S	.	.	S	Bend	trans	-155.8	178.5	-179.5	63.1	-174.4	169.2	-172.5	0	110.2	E25 T35 D39 A40	E25-K37 VanDerWaalsContact CD-NZ 3.28Å; E25-K37 IonicContact OE1-NZ 3.06Å; E25-K37 PolarHBondContact OE1-NZ 3.46Å; E25-K37 IonicContact OE2-NZ 3.55Å; E25-K37 PolarHBondContact OE2-NZ 2.88Å; T35-K37 HydrophobicContact CG2-CG 3.69Å; T35-K37 WeakPolarHBondContact CG2-O 3.35Å; T35-K37 WeakPolarHBondContact O-CG 3.39Å; T35-K37 PolarHBondContact O-N 3.36Å; T35-K37 VanDerWaalsContact O-N 3.12Å; K37-D39 PolarHBondContact O-N 3.19Å; K37-A40 PolarHBondContact O-N 2.92Å
38	W	96.9	Very high	96.7	Very high	69 Å²	69	62.6 Å²	62.6	26%	0.261	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	36.9	177	-49.9	-36.9	0	0	0	113.1	T35 A40 R80 K82 F103	T35-W38 HydrophobicContact CG2-CD2 4.48Å; T35-W38 HydrophobicContact CG2-CE3 3.73Å; T35-W38 HydrophobicContact CG2-CZ3 4.22Å; W38-A40 PolarHBondContact O-N 2.52Å; W38-R80 HydrophobicContact CZ3-CB 4.01Å; W38-K82 HydrophobicContact CD2-CD 4.19Å; W38-K82 HydrophobicContact CG-CD 4.47Å; W38-K82 HydrophobicContact CH2-CB 3.97Å; W38-K82 HydrophobicContact CZ2-CB 3.91Å; W38-K82 HydrophobicContact CZ2-CD 4.32Å; W38-K82 HydrophobicContact CZ2-CG 4.03Å; W38-F103 HydrophobicContact CB-CD1 3.6Å; W38-F103 HydrophobicContact CB-CE1 3.59Å; W38-F103 HydrophobicContact CD2-CD1 4.04Å; W38-F103 HydrophobicContact CD2-CE1 4.4Å; W38-F103 HydrophobicContact CD2-CG 4.32Å; W38-F103 HydrophobicContact CE3-CB 4Å; W38-F103 AromaticContact CE3-CD1 3.54Å; W38-F103 HydrophobicContact CE3-CD1 3.54Å; W38-F103 AromaticContact CE3-CD2 3.81Å; W38-F103 HydrophobicContact CE3-CD2 3.81Å; W38-F103 AromaticContact CE3-CE1 3.8Å; W38-F103 HydrophobicContact CE3-CE1 3.8Å; W38-F103 HydrophobicContact CE3-CE2 4.09Å; W38-F103 AromaticContact CE3-CG 3.52Å; W38-F103 HydrophobicContact CE3-CG 3.52Å; W38-F103 HydrophobicContact CE3-CZ 4.07Å; W38-F103 HydrophobicContact CG-CD1 4.13Å; W38-F103 HydrophobicContact CG-CE1 4.4Å; W38-F103 HydrophobicContact CZ3-CB 4.28Å; W38-F103 HydrophobicContact CZ3-CD1 4.47Å; W38-F103 HydrophobicContact CZ3-CD2 4.01Å; W38-F103 HydrophobicContact CZ3-CE2 4.43Å; W38-F103 HydrophobicContact CZ3-CG 4.02Å
39	D	96.8	Very high	96.8	Very high	108 Å²	108	60.7 Å²	60.7	58%	0.578	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	13.3	-179.6	-50.6	-56.1	0	0	0	114.9	K37 Y120 L122	K37-D39 PolarHBondContact O-N 3.19Å; D39-Y120 PolarHBondContact O-OH 3.34Å; D39-L122 HydrophobicContact CB-CB 4.2Å; D39-L122 HydrophobicContact CB-CD2 4.38Å
40	A	97.4	Very high	96.9	Very high	10 Å²	10	57.6 Å²	57.6	8%	0.083	31%	0.312	C	S	.	.			trans	-83.6	117	175.9	0	0	0	0	0	110.4	T35 K37 W38 T44 F103 Y120	T35-A40 HydrophobicContact CG2-CB 4.22Å; K37-A40 PolarHBondContact O-N 2.92Å; W38-A40 PolarHBondContact O-N 2.52Å; A40-T44 HydrophobicContact CB-CG2 4.31Å; A40-F103 HydrophobicContact CB-CE1 4Å; A40-F103 HydrophobicContact CB-CZ 3.79Å; A40-Y120 HydrophobicContact CB-CD1 4.36Å; A40-Y120 HydrophobicContact CB-CE1 3.99Å
41	T	96.6	Very high	97	Very high	77 Å²	77	55.5 Å²	55.5	47%	0.472	30%	0.297	S	S	.	.			trans	-80.3	163.5	169.6	64.4	0	0	0	0	110.6	E43 T44 D45	T41-E43 PolarHBondContact O-N 3.22Å; T41-T44 WeakPolarHBondContact O-CA 3.23Å; T41-T44 VanDerWaalsContact O-CB 3.29Å; T41-T44 WeakPolarHBondContact O-CB 3.2Å; T41-T44 PolarHBondContact O-N 2.84Å; T41-T44 PolarHBondContact OG1-N 2.89Å; T41-T44 VanDerWaalsContact OG1-N 3.11Å; T41-T44 PolarHBondContact OG1-OG1 2.8Å; T41-D45 PolarHBondContact O-N 3.11Å
42	M	96.2	Very high	97	Very high	126 Å²	126	54 Å²	54	62%	0.621	29%	0.29	S	S	*	.	H	α-helix	trans	-53.3	-40.4	171.5	178	178.8	76.3	0	0	112.1	M34 D45 V46	M34-M42 HydrophobicContact SD-CB 4.18Å; M34-M42 HydrophobicContact SD-CG 3.61Å; M42-D45 PolarHBondContact O-N 2.89Å; M42-V46 WeakPolarHBondContact O-CG2 3.49Å; M42-V46 PolarHBondContact O-N 2.95Å
43	E	96.3	Very high	96.9	Very high	141 Å²	141	55.7 Å²	55.7	66%	0.659	30%	0.301	S	S	*	.	H	α-helix	trans	-62.1	-44.3	175.2	-177.9	178.7	-175.5	0	0	111.5	T41 D45 V46 L47	T41-E43 PolarHBondContact O-N 3.22Å; E43-D45 PolarHBondContact O-N 3.34Å; E43-V46 PolarHBondContact O-N 2.82Å; E43-L47 HydrophobicContact CG-CD1 4.06Å; E43-L47 WeakPolarHBondContact O-CB 3.32Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 2.78Å
44	T	96.9	Very high	96.7	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-47.5	175.5	-57.6	0	0	0	0	111.2	A40 T41 L47 H48 Y120	A40-T44 HydrophobicContact CB-CG2 4.31Å; T41-T44 WeakPolarHBondContact O-CA 3.23Å; T41-T44 VanDerWaalsContact O-CB 3.29Å; T41-T44 WeakPolarHBondContact O-CB 3.2Å; T41-T44 PolarHBondContact O-N 2.84Å; T41-T44 PolarHBondContact OG1-N 2.89Å; T41-T44 VanDerWaalsContact OG1-N 3.11Å; T41-T44 PolarHBondContact OG1-OG1 2.8Å; T44-L47 PolarHBondContact O-N 2.95Å; T44-H48 PolarHBondContact O-N 3.2Å; T44-H48 PolarHBondContact O-ND1 2.96Å; T44-Y120 HydrophobicContact CG2-CD1 4.19Å; T44-Y120 HydrophobicContact CG2-CD2 3.55Å; T44-Y120 HydrophobicContact CG2-CE1 3.98Å; T44-Y120 HydrophobicContact CG2-CE2 3.32Å; T44-Y120 HydrophobicContact CG2-CG 3.98Å
45	D	97.8	Very high	96.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-51.1	179	-77.8	-51.4	0	0	0	110.6	M34 T35 T41 M42 E43 L47 H48 W49 Y105	M34-D45 WeakPolarHBondContact CA-OD2 3.41Å; M34-D45 HydrophobicContact CE-CB 3.64Å; M34-D45 HydrophobicContact SD-CB 3.98Å; T35-D45 VanDerWaalsContact CB-OD1 3.23Å; T35-D45 WeakPolarHBondContact CB-OD1 3.31Å; T35-D45 PolarHBondContact N-OD1 3.02Å; T35-D45 PolarHBondContact N-OD2 2.78Å; T35-D45 PolarHBondContact OG1-OD1 3.45Å; T41-D45 PolarHBondContact O-N 3.11Å; M42-D45 PolarHBondContact O-N 2.89Å; E43-D45 PolarHBondContact O-N 3.34Å; D45-L47 PolarHBondContact O-N 3.21Å; D45-H48 PolarHBondContact O-N 2.65Å; D45-W49 WeakPolarHBondContact O-CB 3.05Å; D45-W49 PolarHBondContact O-N 3.45Å; D45-Y105 WeakPolarHBondContact OD1-CE1 3.24Å; D45-Y105 PolarHBondContact OD1-OH 3.17Å
46	V	96.6	Very high	96.4	Very high	29 Å²	29	59.5 Å²	59.5	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-50.3	179.2	171.5	0	0	0	0	110.7	M34 M42 E43 H48 W49 E50 F61 H62	M34-V46 HydrophobicContact CE-CG2 4.39Å; M42-V46 WeakPolarHBondContact O-CG2 3.49Å; M42-V46 PolarHBondContact O-N 2.95Å; E43-V46 PolarHBondContact O-N 2.82Å; V46-H48 VanDerWaalsContact C-N 3.3Å; V46-H48 PolarHBondContact O-N 3.4Å; V46-W49 PolarHBondContact O-N 2.79Å; V46-E50 HydrophobicContact CG1-CG 4.23Å; V46-E50 WeakPolarHBondContact O-CB 3.36Å; V46-E50 VanDerWaalsContact O-CG 3.27Å; V46-E50 WeakPolarHBondContact O-CG 3.39Å; V46-E50 PolarHBondContact O-N 2.87Å; V46-F61 HydrophobicContact CB-CZ 4.42Å; V46-F61 HydrophobicContact CG1-CZ 4.33Å; V46-F61 HydrophobicContact CG2-CE2 4.16Å; V46-F61 HydrophobicContact CG2-CZ 4.2Å; V46-H62 HydrophobicContact CG2-CB 4.04Å
47	L	96.7	Very high	96.1	Very high	71 Å²	71	60.1 Å²	60.1	37%	0.372	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-36.3	-179	-72.9	174.2	0	0	0	113.3	E43 T44 D45 K51 M126 F127	E43-L47 HydrophobicContact CG-CD1 4.06Å; E43-L47 WeakPolarHBondContact O-CB 3.32Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 2.78Å; T44-L47 PolarHBondContact O-N 2.95Å; D45-L47 PolarHBondContact O-N 3.21Å; L47-K51 WeakPolarHBondContact O-CG 3.46Å; L47-M126 HydrophobicContact CD1-CE 4.46Å; L47-F127 HydrophobicContact CB-CZ 4.3Å
48	H	97.7	Very high	95.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-80.7	-42.4	178.7	-73.1	77.1	0	0	0	112.4	T44 D45 V46 E50 K51 Y105 Y120 F127	T44-H48 PolarHBondContact O-N 3.2Å; T44-H48 PolarHBondContact O-ND1 2.96Å; D45-H48 PolarHBondContact O-N 2.65Å; V46-H48 VanDerWaalsContact C-N 3.3Å; V46-H48 PolarHBondContact O-N 3.4Å; H48-E50 VanDerWaalsContact C-N 3.31Å; H48-E50 PolarHBondContact O-N 3.1Å; H48-K51 WeakPolarHBondContact O-CB 3.46Å; H48-K51 PolarHBondContact O-N 2.7Å; H48-K51 VanDerWaalsContact O-N 3.17Å; H48-Y105 HydrophobicContact CB-CD1 3.85Å; H48-Y105 HydrophobicContact CB-CD2 3.42Å; H48-Y105 VanDerWaalsContact CB-CD2 3.42Å; H48-Y105 HydrophobicContact CB-CE1 3.97Å; H48-Y105 HydrophobicContact CB-CE2 3.53Å; H48-Y105 HydrophobicContact CB-CG 3.57Å; H48-Y105 AromaticContact CD2-CD2 3.6Å; H48-Y105 AromaticContact CD2-CE2 3.73Å; H48-Y105 AromaticContact CG-CD2 3.58Å; H48-Y105 AromaticContact CG-CE2 3.46Å; H48-Y105 VanDerWaalsContact CG-CE2 3.46Å; H48-Y105 AromaticContact ND1-CE2 3.97Å; H48-Y120 AromaticContact CE1-CD2 3.5Å; H48-Y120 AromaticContact NE2-CD2 3.75Å; H48-F127 AromaticContact CD2-CD1 3.97Å; H48-F127 AromaticContact NE2-CD1 3.98Å; H48-F127 AromaticContact NE2-CE1 3.99Å
49	W	97.8	Very high	95.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-38.4	178.1	-71.2	126.6	0	0	0	111.7	I27 F33 D45 V46 K51 I52 T55 F61 F78 M79 R80 Y105	I27-W49 HydrophobicContact CD1-CH2 4Å; I27-W49 HydrophobicContact CD1-CZ2 3.73Å; I27-W49 HydrophobicContact CG1-CH2 3.87Å; I27-W49 HydrophobicContact CG1-CZ2 4Å; F33-W49 AromaticContact CD1-CD1 3.81Å; F33-W49 AromaticContact CD1-CD2 3.72Å; F33-W49 HydrophobicContact CD1-CD2 3.72Å; F33-W49 AromaticContact CD1-CE2 3.62Å; F33-W49 HydrophobicContact CD1-CE3 4.33Å; F33-W49 AromaticContact CD1-CG 3.86Å; F33-W49 HydrophobicContact CD1-CG 3.86Å; F33-W49 HydrophobicContact CD1-CZ2 4.19Å; F33-W49 AromaticContact CD1-NE1 3.68Å; F33-W49 HydrophobicContact CE1-CD2 4.08Å; F33-W49 HydrophobicContact CE1-CE3 4.24Å; F33-W49 HydrophobicContact CE1-CG 4.42Å; F33-W49 PolarHBondContact O-NE1 2.84Å; D45-W49 WeakPolarHBondContact O-CB 3.05Å; D45-W49 PolarHBondContact O-N 3.45Å; V46-W49 PolarHBondContact O-N 2.79Å; W49-K51 PolarHBondContact O-N 2.85Å; W49-I52 HydrophobicContact CE3-CD1 3.79Å; W49-I52 HydrophobicContact CZ3-CD1 3.81Å; W49-I52 WeakPolarHBondContact O-CB 2.92Å; W49-I52 PolarHBondContact O-N 2.97Å; W49-T55 HydrophobicContact CB-CG2 4.08Å; W49-T55 WeakPolarHBondContact O-CB 3.47Å; W49-T55 PolarHBondContact O-OG1 3.07Å; W49-F61 HydrophobicContact CB-CE2 3.94Å; W49-F61 HydrophobicContact CB-CZ 3.96Å; W49-F61 AromaticContact CD1-CE2 3.96Å; W49-F61 HydrophobicContact CG-CE2 4.26Å; W49-F78 HydrophobicContact CE3-CD1 4.07Å; W49-F78 HydrophobicContact CH2-CB 4.41Å; W49-F78 HydrophobicContact CZ3-CB 4.11Å; W49-F78 HydrophobicContact CZ3-CD1 4.03Å; W49-M79 WeakPolarHBondContact CH2-O 3.33Å; W49-R80 HydrophobicContact CH2-CG 4.1Å; W49-R80 HydrophobicContact CZ2-CG 3.94Å; W49-Y105 AromaticContact CD2-CD1 3.66Å; W49-Y105 HydrophobicContact CD2-CD1 3.66Å; W49-Y105 HydrophobicContact CD2-CE1 4.24Å; W49-Y105 AromaticContact CE2-CD1 3.35Å; W49-Y105 AromaticContact CE2-CE1 3.68Å; W49-Y105 HydrophobicContact CE3-CD1 4.01Å; W49-Y105 HydrophobicContact CG-CD1 4.26Å; W49-Y105 AromaticContact CH2-CD1 3.79Å; W49-Y105 HydrophobicContact CH2-CD1 3.79Å; W49-Y105 AromaticContact CZ2-CD1 3.45Å; W49-Y105 HydrophobicContact CZ2-CD1 3.45Å; W49-Y105 VanDerWaalsContact CZ2-CD1 3.45Å; W49-Y105 AromaticContact CZ2-CE1 3.95Å; W49-Y105 HydrophobicContact CZ2-CE1 3.95Å; W49-Y105 HydrophobicContact CZ3-CD1 4.06Å; W49-Y105 AromaticContact NE1-CD1 3.79Å; W49-Y105 AromaticContact NE1-CE1 3.62Å
50	E	96.3	Very high	95	Very high	124 Å²	124	55.8 Å²	55.8	58%	0.579	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	177.1	-74.4	-177.7	166.8	0	0	114	V46 H48 I52 F61	V46-E50 HydrophobicContact CG1-CG 4.23Å; V46-E50 WeakPolarHBondContact O-CB 3.36Å; V46-E50 VanDerWaalsContact O-CG 3.27Å; V46-E50 WeakPolarHBondContact O-CG 3.39Å; V46-E50 PolarHBondContact O-N 2.87Å; H48-E50 VanDerWaalsContact C-N 3.31Å; H48-E50 PolarHBondContact O-N 3.1Å; E50-I52 VanDerWaalsContact C-N 3.28Å; E50-F61 HydrophobicContact CG-CE1 4.44Å; E50-F61 HydrophobicContact CG-CZ 4.37Å
51	K	97	Very high	94.9	Very high	95 Å²	95	55.9 Å²	55.9	41%	0.413	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.7	171.8	-63.1	-77.6	-178.1	170	0	112.8	L47 H48 W49 P53 Y118 F127	L47-K51 WeakPolarHBondContact O-CG 3.46Å; H48-K51 WeakPolarHBondContact O-CB 3.46Å; H48-K51 PolarHBondContact O-N 2.7Å; H48-K51 VanDerWaalsContact O-N 3.17Å; W49-K51 PolarHBondContact O-N 2.85Å; K51-P53 WeakPolarHBondContact O-CD 3.18Å; K51-Y118 HydrophobicContact CB-CD2 3.69Å; K51-Y118 HydrophobicContact CB-CE1 4.38Å; K51-Y118 HydrophobicContact CB-CE2 3.34Å; K51-Y118 HydrophobicContact CB-CG 4.36Å; K51-Y118 HydrophobicContact CG-CE2 4.46Å; K51-F127 HydrophobicContact CD-CD1 4.26Å; K51-F127 HydrophobicContact CD-CE1 4.41Å; K51-F127 HydrophobicContact CG-CD1 3.84Å; K51-F127 HydrophobicContact CG-CE1 3.89Å
52	I	97	Very high	94.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	-86	115.4	176.1	-62.9	175.4	0	0	0	107.8	W49 E50 A54 T55 F78 Y118	W49-I52 HydrophobicContact CE3-CD1 3.79Å; W49-I52 HydrophobicContact CZ3-CD1 3.81Å; W49-I52 WeakPolarHBondContact O-CB 2.92Å; W49-I52 PolarHBondContact O-N 2.97Å; E50-I52 VanDerWaalsContact C-N 3.28Å; I52-A54 VanDerWaalsContact C-N 3.26Å; I52-A54 PolarHBondContact O-N 2.83Å; I52-T55 VanDerWaalsContact O-CB 3.28Å; I52-T55 WeakPolarHBondContact O-CB 3.13Å; I52-T55 PolarHBondContact O-N 3.38Å; I52-T55 PolarHBondContact O-OG1 2.9Å; I52-T55 VanDerWaalsContact O-OG1 3.09Å; I52-F78 HydrophobicContact CB-CE1 4.41Å; I52-F78 HydrophobicContact CG2-CD1 4.32Å; I52-F78 HydrophobicContact CG2-CE1 3.75Å; I52-Y118 HydrophobicContact CG1-CD2 4.3Å; I52-Y118 HydrophobicContact CG1-CE2 4.25Å
53	P	95.1	Very high	94.5	Very high	89 Å²	89	53 Å²	53	58%	0.578	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-54.6	-36.3	-169.4	-30.1	36.1	0	0	0	115	K51 T55 S56 L116	K51-P53 WeakPolarHBondContact O-CD 3.18Å; P53-T55 PolarHBondContact O-N 3.1Å; P53-S56 PolarHBondContact O-N 2.81Å; P53-S56 PolarHBondContact O-OG 2.97Å; P53-L116 HydrophobicContact CG-CD2 4.5Å
54	A	94.6	Very high	94	Very high	23 Å²	23	54.1 Å²	54.1	19%	0.19	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.5	-15.7	-179.2	0	0	0	0	0	114.2	I52 S56 S57 T76 F78	I52-A54 VanDerWaalsContact C-N 3.26Å; I52-A54 PolarHBondContact O-N 2.83Å; A54-S56 PolarHBondContact O-N 2.91Å; A54-S57 PolarHBondContact O-N 2.94Å; A54-S57 PolarHBondContact O-OG 3.03Å; A54-T76 HydrophobicContact CB-CG2 3.95Å; A54-T76 WeakPolarHBondContact CB-OG1 3.28Å; A54-F78 HydrophobicContact CB-CE1 4.41Å; A54-F78 HydrophobicContact CB-CZ 3.8Å
55	T	95.3	Very high	93.7	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.025	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.4	-29	177.6	-55.1	0	0	0	0	111.5	W49 I52 P53 S57 L58 F61 F78	W49-T55 HydrophobicContact CB-CG2 4.08Å; W49-T55 WeakPolarHBondContact O-CB 3.47Å; W49-T55 PolarHBondContact O-OG1 3.07Å; I52-T55 VanDerWaalsContact O-CB 3.28Å; I52-T55 WeakPolarHBondContact O-CB 3.13Å; I52-T55 PolarHBondContact O-N 3.38Å; I52-T55 PolarHBondContact O-OG1 2.9Å; I52-T55 VanDerWaalsContact O-OG1 3.09Å; P53-T55 PolarHBondContact O-N 3.1Å; T55-S57 PolarHBondContact O-N 3.45Å; T55-S57 VanDerWaalsContact O-N 3.14Å; T55-L58 WeakPolarHBondContact O-CB 3.5Å; T55-L58 PolarHBondContact O-N 2.99Å; T55-F61 HydrophobicContact CG2-CD1 3.63Å; T55-F61 HydrophobicContact CG2-CE1 3.37Å; T55-F61 HydrophobicContact CG2-CG 4.42Å; T55-F61 HydrophobicContact CG2-CZ 3.96Å; T55-F78 WeakPolarHBondContact OG1-CE1 3.33Å
56	S	91.6	Very high	93.6	Very high	111 Å²	111	59.2 Å²	59.2	78%	0.776	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27.1	-177	68.8	0	0	0	0	113.4	P53 A54	P53-S56 PolarHBondContact O-N 2.81Å; P53-S56 PolarHBondContact O-OG 2.97Å; A54-S56 PolarHBondContact O-N 2.91Å
57	S	90.5	Very high	93.5	Very high	88 Å²	88	61.8 Å²	61.8	62%	0.615	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-85.1	-11.8	177.5	52.2	0	0	0	0	114.4	A54 T55	A54-S57 PolarHBondContact O-N 2.94Å; A54-S57 PolarHBondContact O-OG 3.03Å; T55-S57 PolarHBondContact O-N 3.45Å; T55-S57 VanDerWaalsContact O-N 3.14Å
58	L	92.7	Very high	93.4	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.089	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-44	-176.8	-61.2	-177.4	0	0	0	111.2	F33 T55 F61 F66 I70 L71 F78	F33-L58 HydrophobicContact CE1-CD1 4.14Å; F33-L58 HydrophobicContact CE2-CD1 3.88Å; F33-L58 HydrophobicContact CZ-CD1 3.36Å; T55-L58 WeakPolarHBondContact O-CB 3.5Å; T55-L58 PolarHBondContact O-N 2.99Å; L58-F61 HydrophobicContact CB-CB 4.42Å; L58-F66 HydrophobicContact CB-CE2 4.08Å; L58-F66 HydrophobicContact CB-CZ 4.12Å; L58-F66 HydrophobicContact CD1-CZ 4.4Å; L58-F66 HydrophobicContact CD2-CZ 4.34Å; L58-I70 HydrophobicContact CD2-CD1 4.22Å; L58-I70 HydrophobicContact CD2-CG2 4.19Å; L58-L71 HydrophobicContact CD1-CD2 4.07Å; L58-L71 HydrophobicContact CD2-CD2 3.66Å; L58-F78 HydrophobicContact CD1-CD2 4.45Å; L58-F78 HydrophobicContact CD1-CE2 3.78Å; L58-F78 HydrophobicContact CD1-CZ 3.82Å; L58-F78 HydrophobicContact CD2-CE2 4.46Å; L58-F78 HydrophobicContact CG-CZ 4.49Å
59	G	86.1	Confident	93.2	Very high	39 Å²	39	62.2 Å²	62.2	40%	0.402	36%	0.363	S	S	.	.			trans	60.6	141.8	-172.3	0	0	0	0	0	112.4	F61	G59-F61 PolarHBondContact O-N 3.38Å
60	N	89.3	Confident	93	Very high	109 Å²	109	65.1 Å²	65.1	58%	0.583	38%	0.377	S	S	*	.	S	Bend	trans	49.5	27.2	169.3	-63.7	-16.3	0	0	0	116.3	H62 I63	N60-H62 PolarHBondContact O-N 2.83Å; N60-H62 VanDerWaalsContact O-N 3.09Å; N60-I63 HydrophobicContact CB-CD1 3.64Å; N60-I63 HydrophobicContact CB-CG1 4Å; N60-I63 PolarHBondContact O-N 2.82Å
61	F	94.9	Very high	93	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.4	-176.5	65.2	-97.3	0	0	0	113.5	F33 M34 V46 W49 E50 T55 L58 G59 F66	F33-F61 HydrophobicContact CB-CD2 3.8Å; F33-F61 HydrophobicContact CD1-CD2 4.09Å; F33-F61 HydrophobicContact CD2-CB 3.77Å; F33-F61 HydrophobicContact CD2-CD2 4.35Å; F33-F61 HydrophobicContact CD2-CG 4.46Å; F33-F61 HydrophobicContact CE2-CB 4.04Å; F33-F61 HydrophobicContact CG-CB 4.13Å; F33-F61 AromaticContact CG-CD2 3.83Å; F33-F61 HydrophobicContact CG-CD2 3.83Å; F33-F61 HydrophobicContact CG-CG 4.34Å; M34-F61 HydrophobicContact CE-CD2 4Å; M34-F61 HydrophobicContact CE-CE2 3.84Å; V46-F61 HydrophobicContact CB-CZ 4.42Å; V46-F61 HydrophobicContact CG1-CZ 4.33Å; V46-F61 HydrophobicContact CG2-CE2 4.16Å; V46-F61 HydrophobicContact CG2-CZ 4.2Å; W49-F61 HydrophobicContact CB-CE2 3.94Å; W49-F61 HydrophobicContact CB-CZ 3.96Å; W49-F61 AromaticContact CD1-CE2 3.96Å; W49-F61 HydrophobicContact CG-CE2 4.26Å; E50-F61 HydrophobicContact CG-CE1 4.44Å; E50-F61 HydrophobicContact CG-CZ 4.37Å; T55-F61 HydrophobicContact CG2-CD1 3.63Å; T55-F61 HydrophobicContact CG2-CE1 3.37Å; T55-F61 HydrophobicContact CG2-CG 4.42Å; T55-F61 HydrophobicContact CG2-CZ 3.96Å; L58-F61 HydrophobicContact CB-CB 4.42Å; G59-F61 PolarHBondContact O-N 3.38Å; F61-F66 VanDerWaalsContact CA-CD2 3.5Å; F61-F66 HydrophobicContact CB-CD2 4.18Å; F61-F66 HydrophobicContact CB-CE2 4.04Å; F61-F66 HydrophobicContact CB-CZ 4.36Å
62	H	92.2	Very high	92.7	Very high	73 Å²	73	63.4 Å²	63.4	34%	0.338	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6	177.1	58.9	-94.2	0	0	0	113.4	M34 V46 N60	M34-H62 HydrophobicContact CE-CB 3.88Å; M34-H62 HydrophobicContact SD-CB 4.02Å; V46-H62 HydrophobicContact CG2-CB 4.04Å; N60-H62 PolarHBondContact O-N 2.83Å; N60-H62 VanDerWaalsContact O-N 3.09Å
63	I	91.4	Very high	92.5	Very high	69 Å²	69	69.1 Å²	69.1	35%	0.354	41%	0.406	S	S	.	.	S	Bend	trans	-90.5	138.1	179.5	-50	-174.5	0	0	0	109.6	N60 S65 F66	N60-I63 HydrophobicContact CB-CD1 3.64Å; N60-I63 HydrophobicContact CB-CG1 4Å; N60-I63 PolarHBondContact O-N 2.82Å; I63-S65 PolarHBondContact O-N 2.95Å; I63-S65 VanDerWaalsContact O-N 3.08Å; I63-F66 VanDerWaalsContact O-CB 3.26Å; I63-F66 WeakPolarHBondContact O-CB 3.49Å; I63-F66 PolarHBondContact O-N 2.86Å
64	D	86.8	Confident	92.5	Very high	165 Å²	165	65.9 Å²	65.9	88%	0.882	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.8	-179.7	-68.4	-18.2	0	0	0	113.9	F66	D64-F66 PolarHBondContact O-N 2.76Å
65	S	91	Very high	92.6	Very high	102 Å²	102	67.7 Å²	67.7	71%	0.713	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	13.1	178.4	68.4	0	0	0	0	114.1	I63 D67	I63-S65 PolarHBondContact O-N 2.95Å; I63-S65 VanDerWaalsContact O-N 3.08Å; S65-D67 PolarHBondContact O-N 2.65Å
66	F	95	Very high	92.7	Very high	21 Å²	21	68.2 Å²	68.2	9%	0.092	40%	0.396	C	S	.	.			trans	-58.4	130.6	-180	178.5	-105.6	0	0	0	111.3	F33 L58 F61 I63 D64 Y68 I70 L71	F33-F66 HydrophobicContact CD2-CD1 4.4Å; F33-F66 HydrophobicContact CD2-CE1 4.19Å; F33-F66 HydrophobicContact CE2-CD1 4.38Å; F33-F66 AromaticContact CE2-CE1 3.73Å; F33-F66 HydrophobicContact CE2-CE1 3.73Å; F33-F66 HydrophobicContact CE2-CZ 4.12Å; L58-F66 HydrophobicContact CB-CE2 4.08Å; L58-F66 HydrophobicContact CB-CZ 4.12Å; L58-F66 HydrophobicContact CD1-CZ 4.4Å; L58-F66 HydrophobicContact CD2-CZ 4.34Å; F61-F66 VanDerWaalsContact CA-CD2 3.5Å; F61-F66 HydrophobicContact CB-CD2 4.18Å; F61-F66 HydrophobicContact CB-CE2 4.04Å; F61-F66 HydrophobicContact CB-CZ 4.36Å; I63-F66 VanDerWaalsContact O-CB 3.26Å; I63-F66 WeakPolarHBondContact O-CB 3.49Å; I63-F66 PolarHBondContact O-N 2.86Å; D64-F66 PolarHBondContact O-N 2.76Å; F66-Y68 HydrophobicContact CB-CE2 4.34Å; F66-Y68 AromaticContact CD1-CD1 3.97Å; F66-Y68 HydrophobicContact CD1-CD1 3.97Å; F66-Y68 AromaticContact CD1-CD2 3.94Å; F66-Y68 HydrophobicContact CD1-CD2 3.94Å; F66-Y68 AromaticContact CD1-CE1 3.9Å; F66-Y68 HydrophobicContact CD1-CE1 3.9Å; F66-Y68 AromaticContact CD1-CE2 3.87Å; F66-Y68 HydrophobicContact CD1-CE2 3.87Å; F66-Y68 AromaticContact CD1-CG 3.99Å; F66-Y68 HydrophobicContact CD1-CG 3.99Å; F66-Y68 AromaticContact CD1-CZ 3.83Å; F66-Y68 HydrophobicContact CE1-CD1 4.07Å; F66-Y68 HydrophobicContact CE1-CE1 4.23Å; F66-Y68 HydrophobicContact CE1-CG 4.31Å; F66-Y68 VanDerWaalsContact O-CD2 3.24Å; F66-Y68 WeakPolarHBondContact O-CD2 3.49Å; F66-Y68 PolarHBondContact O-N 2.88Å; F66-Y68 VanDerWaalsContact O-N 3.16Å; F66-I70 HydrophobicContact CE1-CG2 4.19Å; F66-I70 HydrophobicContact CE2-CG2 4.34Å; F66-I70 HydrophobicContact CZ-CG2 3.62Å; F66-L71 HydrophobicContact CE1-CD1 4.42Å; F66-L71 HydrophobicContact CE1-CG 4.32Å; F66-L71 HydrophobicContact CZ-CD2 4.48Å
67	D	94.3	Very high	93	Very high	83 Å²	83	65.6 Å²	65.6	44%	0.444	37%	0.372	S	S	.	.			trans	-82.5	95.6	178.6	-178.8	15.4	0	0	0	111	S65 S69 I70	S65-D67 PolarHBondContact O-N 2.65Å; D67-S69 PolarHBondContact O-N 3.06Å; D67-S69 VanDerWaalsContact O-N 3.09Å; D67-S69 VanDerWaalsContact OD1-CB 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 2.88Å; D67-S69 PolarHBondContact OD1-N 3.41Å; D67-S69 PolarHBondContact OD1-OG 2.89Å; D67-S69 PolarHBondContact OD2-OG 2.88Å; D67-I70 WeakPolarHBondContact O-CG2 3.25Å; D67-I70 PolarHBondContact O-N 2.84Å
68	Y	95	Very high	93.3	Very high	29 Å²	29	61.6 Å²	61.6	11%	0.114	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.6	177.2	-70.9	-89.2	0	0	0	114.8	I27 S28 R29 P32 F33 F66 I70 L71	I27-Y68 HydrophobicContact CG2-CE1 4.11Å; S28-Y68 VanDerWaalsContact C-CE1 3.44Å; S28-Y68 WeakPolarHBondContact O-CE1 3.44Å; R29-Y68 HydrophobicContact CB-CD2 4.41Å; R29-Y68 HydrophobicContact CG-CD2 3.49Å; R29-Y68 VanDerWaalsContact CG-CD2 3.49Å; R29-Y68 HydrophobicContact CG-CE2 4.26Å; R29-Y68 HydrophobicContact CG-CG 3.76Å; P32-Y68 VanDerWaalsContact CA-OH 3.22Å; P32-Y68 WeakPolarHBondContact CA-OH 3.42Å; P32-Y68 VanDerWaalsContact CB-OH 3.26Å; P32-Y68 WeakPolarHBondContact CB-OH 3.45Å; F33-Y68 HydrophobicContact CD2-CE1 4.28Å; F66-Y68 HydrophobicContact CB-CE2 4.34Å; F66-Y68 AromaticContact CD1-CD1 3.97Å; F66-Y68 HydrophobicContact CD1-CD1 3.97Å; F66-Y68 AromaticContact CD1-CD2 3.94Å; F66-Y68 HydrophobicContact CD1-CD2 3.94Å; F66-Y68 AromaticContact CD1-CE1 3.9Å; F66-Y68 HydrophobicContact CD1-CE1 3.9Å; F66-Y68 AromaticContact CD1-CE2 3.87Å; F66-Y68 HydrophobicContact CD1-CE2 3.87Å; F66-Y68 AromaticContact CD1-CG 3.99Å; F66-Y68 HydrophobicContact CD1-CG 3.99Å; F66-Y68 AromaticContact CD1-CZ 3.83Å; F66-Y68 HydrophobicContact CE1-CD1 4.07Å; F66-Y68 HydrophobicContact CE1-CE1 4.23Å; F66-Y68 HydrophobicContact CE1-CG 4.31Å; F66-Y68 VanDerWaalsContact O-CD2 3.24Å; F66-Y68 WeakPolarHBondContact O-CD2 3.49Å; F66-Y68 PolarHBondContact O-N 2.88Å; F66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-I70 PolarHBondContact O-N 2.75Å; Y68-L71 HydrophobicContact CD1-CD1 3.8Å; Y68-L71 HydrophobicContact CE1-CD1 4.43Å; Y68-L71 WeakPolarHBondContact O-CB 3.37Å; Y68-L71 PolarHBondContact O-N 3.03Å
69	S	93.7	Very high	93.6	Very high	51 Å²	51	61.1 Å²	61.1	36%	0.357	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-27.2	178	80.3	0	0	0	0	112.5	D67 L71 E72	D67-S69 PolarHBondContact O-N 3.06Å; D67-S69 VanDerWaalsContact O-N 3.09Å; D67-S69 VanDerWaalsContact OD1-CB 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 2.88Å; D67-S69 PolarHBondContact OD1-N 3.41Å; D67-S69 PolarHBondContact OD1-OG 2.89Å; D67-S69 PolarHBondContact OD2-OG 2.88Å; S69-L71 PolarHBondContact O-N 2.99Å; S69-E72 WeakPolarHBondContact O-CB 3.32Å; S69-E72 PolarHBondContact O-N 3.4Å; S69-E72 VanDerWaalsContact O-N 3.14Å
70	I	93.9	Very high	94.2	Very high	60 Å²	60	59.4 Å²	59.4	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-32	173.6	-168	175.1	0	0	0	112.5	L58 F66 D67 Y68 E72 T73 S74	L58-I70 HydrophobicContact CD2-CD1 4.22Å; L58-I70 HydrophobicContact CD2-CG2 4.19Å; F66-I70 HydrophobicContact CE1-CG2 4.19Å; F66-I70 HydrophobicContact CE2-CG2 4.34Å; F66-I70 HydrophobicContact CZ-CG2 3.62Å; D67-I70 WeakPolarHBondContact O-CG2 3.25Å; D67-I70 PolarHBondContact O-N 2.84Å; Y68-I70 PolarHBondContact O-N 2.75Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.35Å; I70-T73 PolarHBondContact O-N 3.19Å; I70-T73 PolarHBondContact O-OG1 3.28Å; I70-S74 PolarHBondContact O-N 3.31Å
71	L	95.5	Very high	94.6	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-24.8	-178.8	-57.7	-173.8	0	0	0	112.5	I27 F33 L58 F66 Y68 S69 T73 F78	I27-L71 HydrophobicContact CG2-CD1 4.05Å; F33-L71 HydrophobicContact CE2-CD1 4.02Å; F33-L71 HydrophobicContact CE2-CD2 4.37Å; F33-L71 HydrophobicContact CZ-CD1 4.29Å; F33-L71 HydrophobicContact CZ-CD2 4.26Å; L58-L71 HydrophobicContact CD1-CD2 4.07Å; L58-L71 HydrophobicContact CD2-CD2 3.66Å; F66-L71 HydrophobicContact CE1-CD1 4.42Å; F66-L71 HydrophobicContact CE1-CG 4.32Å; F66-L71 HydrophobicContact CZ-CD2 4.48Å; Y68-L71 HydrophobicContact CD1-CD1 3.8Å; Y68-L71 HydrophobicContact CE1-CD1 4.43Å; Y68-L71 WeakPolarHBondContact O-CB 3.37Å; Y68-L71 PolarHBondContact O-N 3.03Å; S69-L71 PolarHBondContact O-N 2.99Å; L71-T73 VanDerWaalsContact C-N 3.25Å; L71-T73 PolarHBondContact O-N 3.17Å; L71-F78 HydrophobicContact CD2-CD2 4.01Å; L71-F78 HydrophobicContact CD2-CE2 4.04Å
72	E	91.2	Very high	94.8	Very high	159 Å²	159	55.9 Å²	55.9	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-65.8	-33.4	178.8	-60.3	-179.5	-175.2	0	0	111.3	S69 I70	S69-E72 WeakPolarHBondContact O-CB 3.32Å; S69-E72 PolarHBondContact O-N 3.4Å; S69-E72 VanDerWaalsContact O-N 3.14Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.35Å
73	T	92	Very high	94.9	Very high	123 Å²	123	52.6 Å²	52.6	76%	0.755	29%	0.287	S	S	*	.	H	α-helix	trans	-98.9	-17.7	-179.5	59.8	0	0	0	0	113.8	I70 L71	I70-T73 PolarHBondContact O-N 3.19Å; I70-T73 PolarHBondContact O-OG1 3.28Å; L71-T73 VanDerWaalsContact C-N 3.25Å; L71-T73 PolarHBondContact O-N 3.17Å
74	S	94.8	Very high	95.1	Very high	21 Å²	21	53.6 Å²	53.6	15%	0.147	29%	0.288	C	S	.	.			trans	-53.1	142	174.6	174	0	0	0	0	112.4	I70 T76 K110	I70-S74 PolarHBondContact O-N 3.31Å; S74-T76 PolarHBondContact O-N 3.02Å; S74-T76 PolarHBondContact OG-N 3.01Å; S74-T76 PolarHBondContact OG-O 3.03Å; S74-K110 WeakPolarHBondContact O-CE 3.27Å; S74-K110 PolarHBondContact O-NZ 3.22Å
75	D	96.8	Very high	95.4	Very high	61 Å²	61	49.2 Å²	49.2	33%	0.326	26%	0.261	S	S	.	.	S	Bend	trans	-72.5	-11.8	169.9	-170.1	36.8	0	0	0	112.3	Q109 K110 S111	D75-Q109 CarbonylContact O-C 3.43Å; D75-Q109 WeakPolarHBondContact O-CA 3.41Å; D75-Q109 WeakPolarHBondContact OD2-CG 3.48Å; D75-Q109 PolarHBondContact OD2-NE2 3.17Å; D75-K110 WeakPolarHBondContact O-CB 3.4Å; D75-K110 WeakPolarHBondContact O-CG 3.12Å; D75-K110 PolarHBondContact O-N 3.07Å; D75-S111 WeakPolarHBondContact OD1-CB 3.35Å; D75-S111 PolarHBondContact OD1-N 3.46Å; D75-S111 PolarHBondContact OD1-OG 3.39Å; D75-S111 WeakPolarHBondContact OD2-CB 3.26Å; D75-S111 PolarHBondContact OD2-OG 2.96Å
76	T	97.6	Very high	95.5	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.1	-179.9	-57	0	0	0	0	111.8	A54 S74 F78 L108	A54-T76 HydrophobicContact CB-CG2 3.95Å; A54-T76 WeakPolarHBondContact CB-OG1 3.28Å; S74-T76 PolarHBondContact O-N 3.02Å; S74-T76 PolarHBondContact OG-N 3.01Å; S74-T76 PolarHBondContact OG-O 3.03Å; T76-F78 HydrophobicContact CG2-CD1 4.26Å; T76-F78 HydrophobicContact CG2-CD2 4.26Å; T76-F78 HydrophobicContact CG2-CE1 3.95Å; T76-F78 HydrophobicContact CG2-CE2 3.95Å; T76-F78 HydrophobicContact CG2-CG 4.41Å; T76-F78 HydrophobicContact CG2-CZ 3.79Å; T76-L108 CarbonylContact C-O 3.55Å; T76-L108 WeakPolarHBondContact CA-O 3.5Å
77	I	97.6	Very high	95.3	Very high	55 Å²	55	46.2 Å²	46.2	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.4	166.3	-56.7	175.4	0	0	0	107.6	I26 M79 L108 K110	I26-I77 HydrophobicContact CG2-CG2 3.88Å; I77-M79 HydrophobicContact CG2-CG 4.01Å; I77-M79 HydrophobicContact CG2-SD 4.36Å; I77-L108 HydrophobicContact CB-CB 4.37Å; I77-L108 HydrophobicContact CD1-CD2 4.32Å; I77-L108 PolarHBondContact N-O 3.4Å; I77-L108 PolarHBondContact O-N 3.14Å; I77-K110 HydrophobicContact CD1-CD 3.91Å; I77-K110 HydrophobicContact CD1-CG 3.81Å; I77-K110 HydrophobicContact CG1-CD 3.88Å; I77-K110 HydrophobicContact CG1-CG 3.8Å
78	F	98.2	Very high	95.2	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.6	174.3	-59.2	-91.3	0	0	0	109.8	I27 F33 W49 I52 A54 T55 L58 L71 T76 I106	I27-F78 HydrophobicContact CB-CB 3.84Å; I27-F78 HydrophobicContact CG1-CB 3.58Å; I27-F78 WeakPolarHBondContact CG1-O 3.39Å; I27-F78 PolarHBondContact N-O 2.93Å; F33-F78 HydrophobicContact CE1-CB 4.05Å; F33-F78 HydrophobicContact CE1-CD1 4.05Å; F33-F78 HydrophobicContact CE1-CD2 4.32Å; F33-F78 AromaticContact CE1-CG 3.88Å; F33-F78 HydrophobicContact CE1-CG 3.88Å; F33-F78 HydrophobicContact CZ-CB 4.29Å; F33-F78 HydrophobicContact CZ-CD1 4.46Å; F33-F78 AromaticContact CZ-CD2 3.95Å; F33-F78 HydrophobicContact CZ-CD2 3.95Å; F33-F78 HydrophobicContact CZ-CE2 4.41Å; F33-F78 AromaticContact CZ-CG 3.98Å; F33-F78 HydrophobicContact CZ-CG 3.98Å; W49-F78 HydrophobicContact CE3-CD1 4.07Å; W49-F78 HydrophobicContact CH2-CB 4.41Å; W49-F78 HydrophobicContact CZ3-CB 4.11Å; W49-F78 HydrophobicContact CZ3-CD1 4.03Å; I52-F78 HydrophobicContact CB-CE1 4.41Å; I52-F78 HydrophobicContact CG2-CD1 4.32Å; I52-F78 HydrophobicContact CG2-CE1 3.75Å; A54-F78 HydrophobicContact CB-CE1 4.41Å; A54-F78 HydrophobicContact CB-CZ 3.8Å; T55-F78 WeakPolarHBondContact OG1-CE1 3.33Å; L58-F78 HydrophobicContact CD1-CD2 4.45Å; L58-F78 HydrophobicContact CD1-CE2 3.78Å; L58-F78 HydrophobicContact CD1-CZ 3.82Å; L58-F78 HydrophobicContact CD2-CE2 4.46Å; L58-F78 HydrophobicContact CG-CZ 4.49Å; L71-F78 HydrophobicContact CD2-CD2 4.01Å; L71-F78 HydrophobicContact CD2-CE2 4.04Å; T76-F78 HydrophobicContact CG2-CD1 4.26Å; T76-F78 HydrophobicContact CG2-CD2 4.26Å; T76-F78 HydrophobicContact CG2-CE1 3.95Å; T76-F78 HydrophobicContact CG2-CE2 3.95Å; T76-F78 HydrophobicContact CG2-CG 4.41Å; T76-F78 HydrophobicContact CG2-CZ 3.79Å; F78-I106 CarbonylContact C-O 3.6Å; F78-I106 WeakPolarHBondContact CA-O 3.3Å
79	M	98.5	Very high	94.9	Very high	7 Å²	7	51 Å²	51	3%	0.034	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.1	-179.8	-63.4	174.9	-76.2	0	0	112.1	V2 E25 I26 W49 I77 W81 I106 L108	V2-M79 HydrophobicContact CG2-SD 4.39Å; E25-M79 CarbonylContact O-C 3.55Å; E25-M79 WeakPolarHBondContact O-CA 3.06Å; E25-M79 VanDerWaalsContact O-CB 3.28Å; E25-M79 WeakPolarHBondContact O-CB 3.39Å; I26-M79 HydrophobicContact CB-CG 4.48Å; I26-M79 HydrophobicContact CG1-CG 4.05Å; I26-M79 HydrophobicContact CG1-SD 4.31Å; W49-M79 WeakPolarHBondContact CH2-O 3.33Å; I77-M79 HydrophobicContact CG2-CG 4.01Å; I77-M79 HydrophobicContact CG2-SD 4.36Å; M79-W81 HydrophobicContact CE-CZ2 3.96Å; M79-I106 HydrophobicContact CB-CB 4.07Å; M79-I106 HydrophobicContact CB-CG2 4.43Å; M79-I106 HydrophobicContact CE-CG2 3.74Å; M79-I106 PolarHBondContact N-O 2.58Å; M79-I106 WeakPolarHBondContact O-CB 3.42Å; M79-I106 PolarHBondContact O-N 3.33Å; M79-L108 HydrophobicContact CE-CB 3.7Å; M79-L108 HydrophobicContact CE-CD2 4.15Å
80	R	98.7	Very high	94.5	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.011	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	161	-71.2	176.8	-67.2	-94.6	-10.1	110.3	G24 E25 I27 P32 F33 T35 W38 W49 F103 Y104	G24-R80 CarbonylContact C-O 3.42Å; G24-R80 VanDerWaalsContact CA-O 3.25Å; G24-R80 WeakPolarHBondContact CA-O 3.11Å; E25-R80 PolarHBondContact N-O 3.5Å; E25-R80 PolarHBondContact O-N 3.14Å; E25-R80 IonicContact OE2-CZ 3.27Å; E25-R80 IonicContact OE2-NE 2.75Å; E25-R80 PolarHBondContact OE2-NE 3.36Å; E25-R80 VanDerWaalsContact OE2-NE 3.17Å; E25-R80 IonicContact OE2-NH2 4Å; E25-R80 PolarHBondContact OE2-NH2 3.2Å; I27-R80 HydrophobicContact CD1-CG 4.48Å; P32-R80 PolarHBondContact O-NH1 3.32Å; P32-R80 PolarHBondContact O-NH2 2.96Å; F33-R80 PolarHBondContact O-NH1 2.86Å; F33-R80 VanDerWaalsContact O-NH1 3.16Å; T35-R80 VanDerWaalsContact OG1-CD 3.24Å; T35-R80 WeakPolarHBondContact OG1-CD 3.33Å; T35-R80 PolarHBondContact OG1-NH1 2.92Å; W38-R80 HydrophobicContact CZ3-CB 4.01Å; W49-R80 HydrophobicContact CH2-CG 4.1Å; W49-R80 HydrophobicContact CZ2-CG 3.94Å; R80-F103 HydrophobicContact CB-CD2 4.19Å; R80-F103 HydrophobicContact CG-CD2 4.1Å; R80-F103 HydrophobicContact CG-CE2 3.96Å; R80-Y104 CarbonylContact C-O 3.49Å; R80-Y104 WeakPolarHBondContact CA-O 3.38Å
81	W	98.4	Very high	94.2	Very high	23 Å²	23	52.1 Å²	52.1	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.1	176.6	-66	-2.5	0	0	0	110.4	M6 F22 M79 F103 Y104 I106 V115 L130 L132	M6-W81 HydrophobicContact CE-CE3 3.71Å; M6-W81 HydrophobicContact CE-CZ3 4.26Å; F22-W81 HydrophobicContact CD2-CB 3.93Å; F22-W81 HydrophobicContact CD2-CD2 4.08Å; F22-W81 AromaticContact CD2-CG 3.81Å; F22-W81 HydrophobicContact CD2-CG 3.81Å; F22-W81 HydrophobicContact CE1-CE3 4.38Å; F22-W81 HydrophobicContact CE2-CB 4.38Å; F22-W81 AromaticContact CE2-CD1 3.95Å; F22-W81 AromaticContact CE2-CD2 3.64Å; F22-W81 HydrophobicContact CE2-CD2 3.64Å; F22-W81 AromaticContact CE2-CE2 3.82Å; F22-W81 HydrophobicContact CE2-CE3 4.15Å; F22-W81 AromaticContact CE2-CG 3.76Å; F22-W81 HydrophobicContact CE2-CG 3.76Å; F22-W81 HydrophobicContact CE2-CZ2 4.42Å; F22-W81 AromaticContact CE2-NE1 3.99Å; F22-W81 HydrophobicContact CG-CB 4.46Å; F22-W81 AromaticContact CZ-CD2 3.97Å; F22-W81 HydrophobicContact CZ-CD2 3.97Å; F22-W81 HydrophobicContact CZ-CE3 4.05Å; F22-W81 HydrophobicContact CZ-CH2 4.34Å; F22-W81 HydrophobicContact CZ-CZ2 4.29Å; F22-W81 HydrophobicContact CZ-CZ3 4.23Å; M79-W81 HydrophobicContact CE-CZ2 3.96Å; W81-F103 CarbonylContact O-C 3.51Å; W81-F103 VanDerWaalsContact O-CA 3.31Å; W81-F103 WeakPolarHBondContact O-CA 3.21Å; W81-F103 WeakPolarHBondContact O-CB 3.35Å; W81-Y104 HydrophobicContact CB-CD2 4.35Å; W81-Y104 PolarHBondContact N-O 2.76Å; W81-Y104 PolarHBondContact O-N 3.06Å; W81-I106 HydrophobicContact CB-CG1 4.26Å; W81-I106 HydrophobicContact CD2-CD1 4.02Å; W81-I106 HydrophobicContact CD2-CG1 3.67Å; W81-I106 HydrophobicContact CE3-CD1 3.87Å; W81-I106 HydrophobicContact CE3-CG1 4.07Å; W81-I106 HydrophobicContact CG-CD1 4.44Å; W81-I106 HydrophobicContact CG-CG1 3.74Å; W81-I106 HydrophobicContact CZ2-CG2 4.16Å; W81-I106 HydrophobicContact CZ3-CD1 4.29Å; W81-V115 HydrophobicContact CH2-CG1 4.1Å; W81-L130 HydrophobicContact CE3-CD2 4.46Å; W81-L130 HydrophobicContact CZ3-CD2 4.29Å; W81-L132 HydrophobicContact CH2-CD1 4.48Å; W81-L132 HydrophobicContact CZ3-CD1 4.23Å
82	K	97.7	Very high	93.8	Very high	24 Å²	24	52.9 Å²	52.9	10%	0.104	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.1	177.4	-177.7	73.9	-166.1	84.8	0	110	F22 E23 W38 K84 F100 A101 G102 F103	F22-K82 WeakPolarHBondContact CA-O 3.31Å; E23-K82 PolarHBondContact N-O 3.09Å; E23-K82 PolarHBondContact O-N 2.88Å; W38-K82 HydrophobicContact CD2-CD 4.19Å; W38-K82 HydrophobicContact CG-CD 4.47Å; W38-K82 HydrophobicContact CH2-CB 3.97Å; W38-K82 HydrophobicContact CZ2-CB 3.91Å; W38-K82 HydrophobicContact CZ2-CD 4.32Å; W38-K82 HydrophobicContact CZ2-CG 4.03Å; K82-K84 HydrophobicContact CG-CD 4.38Å; K82-F100 PolarHBondContact NZ-O 3.42Å; K82-F100 VanDerWaalsContact NZ-O 3.1Å; K82-A101 VanDerWaalsContact CE-O 3.22Å; K82-A101 WeakPolarHBondContact CE-O 3.21Å; K82-A101 PolarHBondContact NZ-O 3.05Å; K82-G102 VanDerWaalsContact CD-O 3.24Å; K82-G102 WeakPolarHBondContact CD-O 3.2Å; K82-G102 WeakPolarHBondContact CE-O 3.38Å; K82-G102 PolarHBondContact NZ-O 3.03Å; K82-F103 HydrophobicContact CB-CB 4.39Å; K82-F103 HydrophobicContact CD-CB 3.79Å
83	E	95.9	Very high	93.3	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.4	169.1	-63	175.1	92.8	0	0	110	T20 Y21 F22 F100 Y104	T20-E83 VanDerWaalsContact CB-OE1 3.23Å; T20-E83 WeakPolarHBondContact CB-OE1 3.22Å; T20-E83 WeakPolarHBondContact CG2-OE1 3.45Å; T20-E83 PolarHBondContact OG1-OE1 2.66Å; Y21-E83 WeakPolarHBondContact O-CA 3.24Å; F22-E83 HydrophobicContact CB-CG 4.34Å; E83-F100 HydrophobicContact CB-CB 3.86Å; E83-F100 HydrophobicContact CB-CD2 4.14Å; E83-F100 HydrophobicContact CB-CG 4.43Å; E83-F100 HydrophobicContact CG-CB 4.36Å; E83-F100 WeakPolarHBondContact OE2-CB 3.28Å; E83-Y104 HydrophobicContact CG-CE2 4.1Å; E83-Y104 WeakPolarHBondContact OE2-CE2 3.37Å; E83-Y104 PolarHBondContact OE2-OH 3.05Å
84	K	94.7	Very high	92.7	Very high	89 Å²	89	55 Å²	55	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-48.3	-175.9	-59.3	-63.9	-177.8	148	0	112.9	Y21 E23 K82	Y21-K84 HydrophobicContact CD1-CB 4.1Å; Y21-K84 HydrophobicContact CD1-CG 4.15Å; Y21-K84 HydrophobicContact CE1-CG 4.33Å; Y21-K84 PolarHBondContact O-N 3.48Å; E23-K84 HydrophobicContact CG-CG 4.04Å; E23-K84 WeakPolarHBondContact OE2-CE 3.04Å; E23-K84 IonicContact OE2-NZ 2.62Å; E23-K84 PolarHBondContact OE2-NZ 2.96Å; K82-K84 HydrophobicContact CG-CD 4.38Å
85	F	93.6	Very high	92.1	Very high	73 Å²	73	54.1 Å²	54.1	32%	0.32	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.6	-175.3	55.5	-99.8	0	0	0	111.2	T20 Y21 V87 P90	T20-F85 CarbonylContact C-O 3.52Å; T20-F85 VanDerWaalsContact CA-O 3.31Å; T20-F85 WeakPolarHBondContact CA-O 3.21Å; Y21-F85 HydrophobicContact CD1-CD1 4.21Å; Y21-F85 AromaticContact CD1-CE1 3.45Å; Y21-F85 HydrophobicContact CD1-CE1 3.45Å; Y21-F85 VanDerWaalsContact CD1-CE1 3.45Å; Y21-F85 HydrophobicContact CD1-CE2 4.27Å; Y21-F85 AromaticContact CD1-CZ 3.48Å; Y21-F85 HydrophobicContact CD1-CZ 3.48Å; Y21-F85 VanDerWaalsContact CD1-CZ 3.48Å; Y21-F85 HydrophobicContact CE1-CE1 4.1Å; Y21-F85 HydrophobicContact CE1-CZ 4.25Å; Y21-F85 HydrophobicContact CG-CE1 4.08Å; Y21-F85 HydrophobicContact CG-CE2 4.06Å; Y21-F85 AromaticContact CG-CZ 3.64Å; Y21-F85 HydrophobicContact CG-CZ 3.64Å; Y21-F85 PolarHBondContact N-O 2.96Å; F85-V87 HydrophobicContact CD2-CG2 4.1Å; F85-V87 HydrophobicContact CE2-CG2 3.89Å; F85-P90 HydrophobicContact CB-CB 4.04Å; F85-P90 HydrophobicContact CD2-CB 3.97Å; F85-P90 HydrophobicContact CD2-CG 3.96Å; F85-P90 HydrophobicContact CE2-CG 4.37Å; F85-P90 HydrophobicContact CG-CB 4.09Å
86	I	92.5	Very high	91.1	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	146.3	177.6	-62.1	164.7	0	0	0	109.6	L18 T19 T20 D89 P90 L92 I95 F100	L18-I86 HydrophobicContact CD1-CB 4.4Å; L18-I86 HydrophobicContact CD1-CD1 3.89Å; L18-I86 HydrophobicContact CD1-CG1 3.89Å; L18-I86 HydrophobicContact CD1-CG2 3.62Å; T19-I86 WeakPolarHBondContact O-CA 3.45Å; T20-I86 HydrophobicContact CG2-CG1 4.14Å; I86-D89 CarbonylContact O-C 3.56Å; I86-P90 WeakPolarHBondContact O-CA 2.96Å; I86-P90 VanDerWaalsContact O-N 3.16Å; I86-L92 HydrophobicContact CD1-CB 4.14Å; I86-L92 HydrophobicContact CD1-CD2 3.93Å; I86-L92 HydrophobicContact CD1-CG 3.98Å; I86-L92 WeakPolarHBondContact CD1-O 3.38Å; I86-I95 HydrophobicContact CD1-CD1 3.4Å; I86-I95 HydrophobicContact CD1-CG1 3.98Å; I86-I95 HydrophobicContact CG1-CD1 4.47Å; I86-F100 HydrophobicContact CD1-CD1 4.45Å; I86-F100 HydrophobicContact CD1-CE1 3.62Å; I86-F100 HydrophobicContact CD1-CZ 4.09Å; I86-F100 HydrophobicContact CG1-CD1 4.44Å; I86-F100 HydrophobicContact CG1-CE1 3.82Å; I86-F100 HydrophobicContact CG1-CZ 4.03Å
87	V	91.7	Very high	90	Very high	53 Å²	53	61.2 Å²	61.2	32%	0.321	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.4	173.7	178.4	0	0	0	0	108.4	F5 T19 F85	F5-V87 HydrophobicContact CD1-CG2 4.22Å; F5-V87 HydrophobicContact CE1-CG2 3.93Å; T19-V87 PolarHBondContact O-N 2.87Å; F85-V87 HydrophobicContact CD2-CG2 4.1Å; F85-V87 HydrophobicContact CE2-CG2 3.89Å
88	P	90.5	Very high	89.1	Confident	128 Å²	128	59.5 Å²	59.5	83%	0.831	34%	0.336	S	S	*	.	S	Bend	cis	-91.8	7.5	9.4	37.6	-37.2	0	0	0	115.4	P90	P88-P90 WeakPolarHBondContact O-CD 3.29Å
89	D	88.7	Confident	88.3	Confident	85 Å²	85	62.3 Å²	62.3	46%	0.455	36%	0.356	S	S	.	.			trans	-112.7	86.3	-177.3	-173	0.6	0	0	0	112.8	I86 G91 L92	I86-D89 CarbonylContact O-C 3.56Å; D89-G91 PolarHBondContact O-N 3.43Å; D89-G91 VanDerWaalsContact O-N 3.15Å; D89-G91 WeakPolarHBondContact OD1-CA 3.2Å; D89-G91 PolarHBondContact OD1-N 2.87Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 PolarHBondContact O-N 3.37Å; D89-L92 PolarHBondContact OD1-N 2.91Å
90	P	86.5	Confident	87.8	Confident	75 Å²	75	63.1 Å²	63.1	49%	0.487	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.4	176.4	-22.3	32.5	0	0	0	114.6	F85 I86 P88	F85-P90 HydrophobicContact CB-CB 4.04Å; F85-P90 HydrophobicContact CD2-CB 3.97Å; F85-P90 HydrophobicContact CD2-CG 3.96Å; F85-P90 HydrophobicContact CE2-CG 4.37Å; F85-P90 HydrophobicContact CG-CB 4.09Å; I86-P90 WeakPolarHBondContact O-CA 2.96Å; I86-P90 VanDerWaalsContact O-N 3.16Å; P88-P90 WeakPolarHBondContact O-CD 3.29Å
91	G	87.7	Confident	87.5	Confident	58 Å²	58	65.6 Å²	65.6	60%	0.598	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.9	178	0	0	0	0	0	112.9	D89 K93	D89-G91 PolarHBondContact O-N 3.43Å; D89-G91 VanDerWaalsContact O-N 3.15Å; D89-G91 WeakPolarHBondContact OD1-CA 3.2Å; D89-G91 PolarHBondContact OD1-N 2.87Å; G91-K93 PolarHBondContact O-N 2.82Å
92	L	85.6	Confident	87.4	Confident	42 Å²	42	64.7 Å²	64.7	22%	0.22	38%	0.378	C	S	.	.			trans	-71.5	108	176.9	-170.3	63.3	0	0	0	109.8	Y15 I86 D89 H94 I95	Y15-L92 HydrophobicContact CE1-CD2 3.83Å; I86-L92 HydrophobicContact CD1-CB 4.14Å; I86-L92 HydrophobicContact CD1-CD2 3.93Å; I86-L92 HydrophobicContact CD1-CG 3.98Å; I86-L92 WeakPolarHBondContact CD1-O 3.38Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 PolarHBondContact O-N 3.37Å; D89-L92 PolarHBondContact OD1-N 2.91Å; L92-H94 WeakPolarHBondContact CD1-O 3.38Å; L92-I95 HydrophobicContact CD2-CD1 4.48Å; L92-I95 HydrophobicContact CD2-CG1 4.14Å; L92-I95 HydrophobicContact CG-CG1 4.46Å
93	K	81.3	Confident	87.4	Confident	180 Å²	180	63.6 Å²	63.6	78%	0.783	37%	0.373	S	S	*	.			trans	-103.1	-17.2	-177.8	-67.9	-172.7	-179.3	-177.5	0	114.3	G91	G91-K93 PolarHBondContact O-N 2.82Å
94	H	79.4	Confident	87.5	Confident	146 Å²	146	64.3 Å²	64.3	68%	0.676	38%	0.376	S	S	*	.			trans	-133.6	131.4	-176	-172.5	66.2	0	0	0	109.1	L92	L92-H94 WeakPolarHBondContact CD1-O 3.38Å
95	I	81.7	Confident	87.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-121	128	169.8	-68.1	171.1	0	0	0	105.9	Y15 L18 I86 L92 G97 A98	Y15-I95 HydrophobicContact CD2-CG1 4.43Å; Y15-I95 HydrophobicContact CD2-CG2 3.58Å; Y15-I95 HydrophobicContact CE2-CG1 4.48Å; Y15-I95 HydrophobicContact CE2-CG2 4.1Å; Y15-I95 HydrophobicContact CG-CG2 4.17Å; L18-I95 HydrophobicContact CD1-CD1 3.32Å; L18-I95 HydrophobicContact CD2-CD1 3.51Å; L18-I95 HydrophobicContact CG-CD1 4.03Å; I86-I95 HydrophobicContact CD1-CD1 3.4Å; I86-I95 HydrophobicContact CD1-CG1 3.98Å; I86-I95 HydrophobicContact CG1-CD1 4.47Å; L92-I95 HydrophobicContact CD2-CD1 4.48Å; L92-I95 HydrophobicContact CD2-CG1 4.14Å; L92-I95 HydrophobicContact CG-CG1 4.46Å; I95-G97 PolarHBondContact O-N 2.89Å; I95-A98 HydrophobicContact CB-CB 4.3Å; I95-A98 HydrophobicContact CG2-CB 3.98Å; I95-A98 PolarHBondContact O-N 2.56Å
96	E	76.8	Confident	87.9	Confident	149 Å²	149	56.6 Å²	56.6	70%	0.696	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	126.2	175.9	-170.1	173.6	176.5	0	0	109.6	T12 A98	T12-E96 WeakPolarHBondContact CG2-O 3.28Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.4Å
97	G	74.8	Confident	88.2	Confident	78 Å²	78	56.5 Å²	56.5	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3	179.9	0	0	0	0	0	116.1	I95	I95-G97 PolarHBondContact O-N 2.89Å
98	A	78.5	Confident	88.5	Confident	19 Å²	19	56 Å²	56	16%	0.157	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-137.7	149.7	176.8	0	0	0	0	0	112.8	L11 I95 E96	L11-A98 HydrophobicContact CD1-CB 3.94Å; L11-A98 HydrophobicContact CD2-CB 3.49Å; L11-A98 VanDerWaalsContact CD2-CB 3.49Å; L11-A98 HydrophobicContact CG-CB 3.71Å; I95-A98 HydrophobicContact CB-CB 4.3Å; I95-A98 HydrophobicContact CG2-CB 3.98Å; I95-A98 PolarHBondContact O-N 2.56Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.4Å
99	S	81.8	Confident	88.8	Confident	63 Å²	63	53.1 Å²	53.1	44%	0.441	31%	0.314	S	S	.	.			trans	-143.5	134.5	176.4	179.8	0	0	0	0	110.7	A101 Y119	S99-A101 VanDerWaalsContact OG-CB 3.28Å; S99-A101 WeakPolarHBondContact OG-CB 3.36Å; S99-A101 PolarHBondContact OG-N 3.26Å; S99-Y119 PolarHBondContact O-OH 3.02Å
100	F	88.2	Confident	89.1	Confident	24 Å²	24	53.7 Å²	53.7	11%	0.105	31%	0.313	C	S	.	.			trans	-110.9	20.6	171.2	59.3	-87.1	0	0	0	111	T20 K82 E83 I86 G102	T20-F100 HydrophobicContact CG2-CB 4.49Å; T20-F100 HydrophobicContact CG2-CG 4.39Å; K82-F100 PolarHBondContact NZ-O 3.42Å; K82-F100 VanDerWaalsContact NZ-O 3.1Å; E83-F100 HydrophobicContact CB-CB 3.86Å; E83-F100 HydrophobicContact CB-CD2 4.14Å; E83-F100 HydrophobicContact CB-CG 4.43Å; E83-F100 HydrophobicContact CG-CB 4.36Å; E83-F100 WeakPolarHBondContact OE2-CB 3.28Å; I86-F100 HydrophobicContact CD1-CD1 4.45Å; I86-F100 HydrophobicContact CD1-CE1 3.62Å; I86-F100 HydrophobicContact CD1-CZ 4.09Å; I86-F100 HydrophobicContact CG1-CD1 4.44Å; I86-F100 HydrophobicContact CG1-CE1 3.82Å; I86-F100 HydrophobicContact CG1-CZ 4.03Å; F100-G102 VanDerWaalsContact C-N 3.29Å; F100-G102 PolarHBondContact O-N 3.23Å
101	A	92.3	Very high	89.5	Confident	54 Å²	54	53.8 Å²	53.8	45%	0.446	32%	0.315	S	S	.	.	S	Bend	trans	-67.7	-30.7	-177.9	0	0	0	0	0	112.5	K82 S99	K82-A101 VanDerWaalsContact CE-O 3.22Å; K82-A101 WeakPolarHBondContact CE-O 3.21Å; K82-A101 PolarHBondContact NZ-O 3.05Å; S99-A101 VanDerWaalsContact OG-CB 3.28Å; S99-A101 WeakPolarHBondContact OG-CB 3.36Å; S99-A101 PolarHBondContact OG-N 3.26Å
102	G	95.2	Very high	89.9	Confident	4 Å²	4	56 Å²	56	4%	0.041	31%	0.312	C	S	.	.	S	Bend	trans	-76	-161	176.8	0	0	0	0	0	114.5	K82 F100 Y119 Y120	K82-G102 VanDerWaalsContact CD-O 3.24Å; K82-G102 WeakPolarHBondContact CD-O 3.2Å; K82-G102 WeakPolarHBondContact CE-O 3.38Å; K82-G102 PolarHBondContact NZ-O 3.03Å; F100-G102 VanDerWaalsContact C-N 3.29Å; F100-G102 PolarHBondContact O-N 3.23Å; G102-Y119 WeakPolarHBondContact CA-OH 3.28Å; G102-Y119 PolarHBondContact N-OH 2.7Å; G102-Y120 CarbonylContact C-O 3.6Å; G102-Y120 WeakPolarHBondContact CA-O 3.06Å
103	F	97.7	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.6	175.8	70.4	-84.6	0	0	0	110.2	T35 W38 A40 R80 W81 K82 Y105 Y120	T35-F103 HydrophobicContact CG2-CE1 4.49Å; T35-F103 HydrophobicContact CG2-CE2 4.43Å; T35-F103 HydrophobicContact CG2-CZ 3.96Å; W38-F103 HydrophobicContact CB-CD1 3.6Å; W38-F103 HydrophobicContact CB-CE1 3.59Å; W38-F103 HydrophobicContact CD2-CD1 4.04Å; W38-F103 HydrophobicContact CD2-CE1 4.4Å; W38-F103 HydrophobicContact CD2-CG 4.32Å; W38-F103 HydrophobicContact CE3-CB 4Å; W38-F103 AromaticContact CE3-CD1 3.54Å; W38-F103 HydrophobicContact CE3-CD1 3.54Å; W38-F103 AromaticContact CE3-CD2 3.81Å; W38-F103 HydrophobicContact CE3-CD2 3.81Å; W38-F103 AromaticContact CE3-CE1 3.8Å; W38-F103 HydrophobicContact CE3-CE1 3.8Å; W38-F103 HydrophobicContact CE3-CE2 4.09Å; W38-F103 AromaticContact CE3-CG 3.52Å; W38-F103 HydrophobicContact CE3-CG 3.52Å; W38-F103 HydrophobicContact CE3-CZ 4.07Å; W38-F103 HydrophobicContact CG-CD1 4.13Å; W38-F103 HydrophobicContact CG-CE1 4.4Å; W38-F103 HydrophobicContact CZ3-CB 4.28Å; W38-F103 HydrophobicContact CZ3-CD1 4.47Å; W38-F103 HydrophobicContact CZ3-CD2 4.01Å; W38-F103 HydrophobicContact CZ3-CE2 4.43Å; W38-F103 HydrophobicContact CZ3-CG 4.02Å; A40-F103 HydrophobicContact CB-CE1 4Å; A40-F103 HydrophobicContact CB-CZ 3.79Å; R80-F103 HydrophobicContact CB-CD2 4.19Å; R80-F103 HydrophobicContact CG-CD2 4.1Å; R80-F103 HydrophobicContact CG-CE2 3.96Å; W81-F103 CarbonylContact O-C 3.51Å; W81-F103 VanDerWaalsContact O-CA 3.31Å; W81-F103 WeakPolarHBondContact O-CA 3.21Å; W81-F103 WeakPolarHBondContact O-CB 3.35Å; K82-F103 HydrophobicContact CB-CB 4.39Å; K82-F103 HydrophobicContact CD-CB 3.79Å; F103-Y105 HydrophobicContact CD2-CD2 4.5Å; F103-Y105 HydrophobicContact CD2-CE2 4.37Å; F103-Y105 HydrophobicContact CE2-CD1 4.35Å; F103-Y105 AromaticContact CE2-CD2 3.89Å; F103-Y105 HydrophobicContact CE2-CD2 3.89Å; F103-Y105 AromaticContact CE2-CE1 3.95Å; F103-Y105 HydrophobicContact CE2-CE1 3.95Å; F103-Y105 AromaticContact CE2-CE2 3.45Å; F103-Y105 HydrophobicContact CE2-CE2 3.45Å; F103-Y105 VanDerWaalsContact CE2-CE2 3.45Å; F103-Y105 HydrophobicContact CE2-CG 4.33Å; F103-Y105 AromaticContact CE2-CZ 3.49Å; F103-Y105 VanDerWaalsContact CE2-CZ 3.49Å; F103-Y105 HydrophobicContact CZ-CD2 4.45Å; F103-Y105 HydrophobicContact CZ-CE1 4.31Å; F103-Y105 AromaticContact CZ-CE2 3.59Å; F103-Y105 HydrophobicContact CZ-CE2 3.59Å; F103-Y105 AromaticContact CZ-CZ 3.51Å; F103-Y105 WeakPolarHBondContact CZ-OH 3.42Å; F103-Y120 HydrophobicContact CD1-CD1 4.13Å; F103-Y120 AromaticContact CE1-CD1 3.47Å; F103-Y120 HydrophobicContact CE1-CD1 3.47Å; F103-Y120 VanDerWaalsContact CE1-CD1 3.47Å; F103-Y120 HydrophobicContact CE1-CE1 4.17Å; F103-Y120 HydrophobicContact CE1-CG 4.43Å; F103-Y120 HydrophobicContact CZ-CD1 4.01Å; F103-Y120 PolarHBondContact N-O 3.16Å; F103-Y120 PolarHBondContact O-N 3.41Å
104	Y	98.1	Very high	91.1	Very high	20 Å²	20	48.2 Å²	48.2	8%	0.078	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.7	179.3	-55.3	-99.3	0	0	0	110.5	M6 R80 W81 E83 I106 Y118 Y119 L130	M6-Y104 HydrophobicContact CE-CD2 3.97Å; M6-Y104 HydrophobicContact CE-CE2 3.75Å; M6-Y104 HydrophobicContact SD-CE1 4.49Å; M6-Y104 HydrophobicContact SD-CE2 4.05Å; R80-Y104 CarbonylContact C-O 3.49Å; R80-Y104 WeakPolarHBondContact CA-O 3.38Å; W81-Y104 HydrophobicContact CB-CD2 4.35Å; W81-Y104 PolarHBondContact N-O 2.76Å; W81-Y104 PolarHBondContact O-N 3.06Å; E83-Y104 HydrophobicContact CG-CE2 4.1Å; E83-Y104 WeakPolarHBondContact OE2-CE2 3.37Å; E83-Y104 PolarHBondContact OE2-OH 3.05Å; Y104-I106 HydrophobicContact CG-CD1 4.43Å; Y104-Y118 WeakPolarHBondContact CA-O 3.23Å; Y104-Y119 HydrophobicContact CD1-CD2 4.05Å; Y104-Y119 HydrophobicContact CD1-CG 4.44Å; Y104-Y119 HydrophobicContact CD2-CD2 4.31Å; Y104-Y119 AromaticContact CE1-CD2 3.66Å; Y104-Y119 HydrophobicContact CE1-CD2 3.66Å; Y104-Y119 HydrophobicContact CE1-CG 4.07Å; Y104-Y119 AromaticContact CE2-CD2 3.91Å; Y104-Y119 HydrophobicContact CE2-CD2 3.91Å; Y104-Y119 HydrophobicContact CE2-CE2 4.37Å; Y104-Y119 HydrophobicContact CG-CD2 4.36Å; Y104-Y119 AromaticContact CZ-CD2 3.55Å; Y104-L130 HydrophobicContact CD1-CB 4.4Å; Y104-L130 HydrophobicContact CD1-CD2 4.13Å; Y104-L130 HydrophobicContact CE1-CD2 4.46Å
105	Y	98.5	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.6	158.9	-65.1	-95.4	0	0	0	108	D45 H48 W49 F103 G117 Y118 Y120	D45-Y105 WeakPolarHBondContact OD1-CE1 3.24Å; D45-Y105 PolarHBondContact OD1-OH 3.17Å; H48-Y105 HydrophobicContact CB-CD1 3.85Å; H48-Y105 HydrophobicContact CB-CD2 3.42Å; H48-Y105 VanDerWaalsContact CB-CD2 3.42Å; H48-Y105 HydrophobicContact CB-CE1 3.97Å; H48-Y105 HydrophobicContact CB-CE2 3.53Å; H48-Y105 HydrophobicContact CB-CG 3.57Å; H48-Y105 AromaticContact CD2-CD2 3.6Å; H48-Y105 AromaticContact CD2-CE2 3.73Å; H48-Y105 AromaticContact CG-CD2 3.58Å; H48-Y105 AromaticContact CG-CE2 3.46Å; H48-Y105 VanDerWaalsContact CG-CE2 3.46Å; H48-Y105 AromaticContact ND1-CE2 3.97Å; W49-Y105 AromaticContact CD2-CD1 3.66Å; W49-Y105 HydrophobicContact CD2-CD1 3.66Å; W49-Y105 HydrophobicContact CD2-CE1 4.24Å; W49-Y105 AromaticContact CE2-CD1 3.35Å; W49-Y105 AromaticContact CE2-CE1 3.68Å; W49-Y105 HydrophobicContact CE3-CD1 4.01Å; W49-Y105 HydrophobicContact CG-CD1 4.26Å; W49-Y105 AromaticContact CH2-CD1 3.79Å; W49-Y105 HydrophobicContact CH2-CD1 3.79Å; W49-Y105 AromaticContact CZ2-CD1 3.45Å; W49-Y105 HydrophobicContact CZ2-CD1 3.45Å; W49-Y105 VanDerWaalsContact CZ2-CD1 3.45Å; W49-Y105 AromaticContact CZ2-CE1 3.95Å; W49-Y105 HydrophobicContact CZ2-CE1 3.95Å; W49-Y105 HydrophobicContact CZ3-CD1 4.06Å; W49-Y105 AromaticContact NE1-CD1 3.79Å; W49-Y105 AromaticContact NE1-CE1 3.62Å; F103-Y105 HydrophobicContact CD2-CD2 4.5Å; F103-Y105 HydrophobicContact CD2-CE2 4.37Å; F103-Y105 HydrophobicContact CE2-CD1 4.35Å; F103-Y105 AromaticContact CE2-CD2 3.89Å; F103-Y105 HydrophobicContact CE2-CD2 3.89Å; F103-Y105 AromaticContact CE2-CE1 3.95Å; F103-Y105 HydrophobicContact CE2-CE1 3.95Å; F103-Y105 AromaticContact CE2-CE2 3.45Å; F103-Y105 HydrophobicContact CE2-CE2 3.45Å; F103-Y105 VanDerWaalsContact CE2-CE2 3.45Å; F103-Y105 HydrophobicContact CE2-CG 4.33Å; F103-Y105 AromaticContact CE2-CZ 3.49Å; F103-Y105 VanDerWaalsContact CE2-CZ 3.49Å; F103-Y105 HydrophobicContact CZ-CD2 4.45Å; F103-Y105 HydrophobicContact CZ-CE1 4.31Å; F103-Y105 AromaticContact CZ-CE2 3.59Å; F103-Y105 HydrophobicContact CZ-CE2 3.59Å; F103-Y105 AromaticContact CZ-CZ 3.51Å; F103-Y105 WeakPolarHBondContact CZ-OH 3.42Å; Y105-G117 CarbonylContact O-C 3.54Å; Y105-G117 WeakPolarHBondContact O-CA 3.4Å; Y105-Y118 PolarHBondContact N-O 3.25Å; Y105-Y118 PolarHBondContact O-N 3.11Å; Y105-Y120 HydrophobicContact CE2-CG 4.25Å
106	I	98.6	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.2	-171	-58.1	-66.7	0	0	0	110.5	F78 M79 W81 Y104 V115 L116 L130	F78-I106 CarbonylContact C-O 3.6Å; F78-I106 WeakPolarHBondContact CA-O 3.3Å; M79-I106 HydrophobicContact CB-CB 4.07Å; M79-I106 HydrophobicContact CB-CG2 4.43Å; M79-I106 HydrophobicContact CE-CG2 3.74Å; M79-I106 PolarHBondContact N-O 2.58Å; M79-I106 WeakPolarHBondContact O-CB 3.42Å; M79-I106 PolarHBondContact O-N 3.33Å; W81-I106 HydrophobicContact CB-CG1 4.26Å; W81-I106 HydrophobicContact CD2-CD1 4.02Å; W81-I106 HydrophobicContact CD2-CG1 3.67Å; W81-I106 HydrophobicContact CE3-CD1 3.87Å; W81-I106 HydrophobicContact CE3-CG1 4.07Å; W81-I106 HydrophobicContact CG-CD1 4.44Å; W81-I106 HydrophobicContact CG-CG1 3.74Å; W81-I106 HydrophobicContact CZ2-CG2 4.16Å; W81-I106 HydrophobicContact CZ3-CD1 4.29Å; Y104-I106 HydrophobicContact CG-CD1 4.43Å; I106-V115 HydrophobicContact CD1-CG1 4.4Å; I106-V115 HydrophobicContact CG2-CG1 3.52Å; I106-L116 CarbonylContact C-O 3.59Å; I106-L130 HydrophobicContact CD1-CD2 3.91Å
107	G	98.1	Very high	93.7	Very high	5 Å²	5	36.2 Å²	36.2	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.7	165.3	0	0	0	0	0	109.7	L116	G107-L116 PolarHBondContact N-O 3Å; G107-L116 PolarHBondContact O-N 2.87Å
108	L	98	Very high	94.8	Very high	44 Å²	44	34.3 Å²	34.3	23%	0.23	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.3	172.7	166.2	63	0	0	0	109.4	T76 I77 M79 K110 H114 V115	T76-L108 CarbonylContact C-O 3.55Å; T76-L108 WeakPolarHBondContact CA-O 3.5Å; I77-L108 HydrophobicContact CB-CB 4.37Å; I77-L108 HydrophobicContact CD1-CD2 4.32Å; I77-L108 PolarHBondContact N-O 3.4Å; I77-L108 PolarHBondContact O-N 3.14Å; M79-L108 HydrophobicContact CE-CB 3.7Å; M79-L108 HydrophobicContact CE-CD2 4.15Å; L108-K110 PolarHBondContact O-N 3.48Å; L108-H114 CarbonylContact C-O 3.52Å; L108-H114 WeakPolarHBondContact CA-O 3.29Å; L108-V115 HydrophobicContact CB-CG2 4.43Å; L108-V115 HydrophobicContact CD1-CG2 3.72Å
109	Q	97.3	Very high	95.7	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	112.3	171.6	-169.3	175.2	11.9	0	0	110.3	D75 S111 I112 G113 H114	D75-Q109 CarbonylContact O-C 3.43Å; D75-Q109 WeakPolarHBondContact O-CA 3.41Å; D75-Q109 WeakPolarHBondContact OD2-CG 3.48Å; D75-Q109 PolarHBondContact OD2-NE2 3.17Å; Q109-S111 WeakPolarHBondContact CG-OG 3.41Å; Q109-S111 PolarHBondContact NE2-OG 3.26Å; Q109-S111 PolarHBondContact O-N 3.43Å; Q109-I112 HydrophobicContact CB-CG1 4.16Å; Q109-I112 HydrophobicContact CG-CG1 4.06Å; Q109-G113 WeakPolarHBondContact O-CA 3.45Å; Q109-G113 PolarHBondContact O-N 2.97Å; Q109-H114 HydrophobicContact CB-CB 4.46Å; Q109-H114 PolarHBondContact N-O 2.88Å; Q109-H114 PolarHBondContact O-N 3.4Å
110	K	95.2	Very high	96.4	Very high	98 Å²	98	31.3 Å²	31.3	43%	0.426	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-44.1	-174.4	-67.3	-175.9	-66.4	-170.2	0	112.1	S74 D75 I77 L108 I112	S74-K110 WeakPolarHBondContact O-CE 3.27Å; S74-K110 PolarHBondContact O-NZ 3.22Å; D75-K110 WeakPolarHBondContact O-CB 3.4Å; D75-K110 WeakPolarHBondContact O-CG 3.12Å; D75-K110 PolarHBondContact O-N 3.07Å; I77-K110 HydrophobicContact CD1-CD 3.91Å; I77-K110 HydrophobicContact CD1-CG 3.81Å; I77-K110 HydrophobicContact CG1-CD 3.88Å; I77-K110 HydrophobicContact CG1-CG 3.8Å; L108-K110 PolarHBondContact O-N 3.48Å; K110-I112 VanDerWaalsContact C-N 3.29Å; K110-I112 PolarHBondContact O-N 3Å
111	S	95.1	Very high	96.7	Very high	76 Å²	76	32.1 Å²	32.1	53%	0.531	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34	-175.2	55.9	0	0	0	0	114.8	D75 Q109	D75-S111 WeakPolarHBondContact OD1-CB 3.35Å; D75-S111 PolarHBondContact OD1-N 3.46Å; D75-S111 PolarHBondContact OD1-OG 3.39Å; D75-S111 WeakPolarHBondContact OD2-CB 3.26Å; D75-S111 PolarHBondContact OD2-OG 2.96Å; Q109-S111 WeakPolarHBondContact CG-OG 3.41Å; Q109-S111 PolarHBondContact NE2-OG 3.26Å; Q109-S111 PolarHBondContact O-N 3.43Å
112	I	94.7	Very high	96.8	Very high	106 Å²	106	34.4 Å²	34.4	54%	0.544	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-2.7	-175.4	62.6	167.4	0	0	0	114.1	Q109 K110 H114	Q109-I112 HydrophobicContact CB-CG1 4.16Å; Q109-I112 HydrophobicContact CG-CG1 4.06Å; K110-I112 VanDerWaalsContact C-N 3.29Å; K110-I112 PolarHBondContact O-N 3Å; I112-H114 HydrophobicContact CD1-CB 3.48Å; I112-H114 VanDerWaalsContact CD1-CB 3.48Å; I112-H114 HydrophobicContact CG1-CB 3.59Å; I112-H114 PolarHBondContact O-N 3.49Å
113	G	95.2	Very high	96.5	Very high	17 Å²	17	40.8 Å²	40.8	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	29.5	-177.1	0	0	0	0	0	113.4	Q109 Y134	Q109-G113 WeakPolarHBondContact O-CA 3.45Å; Q109-G113 PolarHBondContact O-N 2.97Å; G113-Y134 VanDerWaalsContact O-CB 3.3Å; G113-Y134 WeakPolarHBondContact O-CB 3.33Å; G113-Y134 PolarHBondContact O-N 3.03Å
114	H	97	Very high	96.1	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.19	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.4	179	179.2	-138.7	0	0	0	109.9	L108 Q109 I112 E131 L132	L108-H114 CarbonylContact C-O 3.52Å; L108-H114 WeakPolarHBondContact CA-O 3.29Å; Q109-H114 HydrophobicContact CB-CB 4.46Å; Q109-H114 PolarHBondContact N-O 2.88Å; Q109-H114 PolarHBondContact O-N 3.4Å; I112-H114 HydrophobicContact CD1-CB 3.48Å; I112-H114 VanDerWaalsContact CD1-CB 3.48Å; I112-H114 HydrophobicContact CG1-CB 3.59Å; I112-H114 PolarHBondContact O-N 3.49Å; H114-E131 IonicContact CE1-OE1 3.48Å; H114-E131 WeakPolarHBondContact NE2-CG 3.24Å; H114-E131 IonicContact NE2-OE1 3.66Å; H114-E131 PolarHBondContact NE2-OE1 2.97Å; H114-L132 PolarHBondContact CD2-O 2.97Å; H114-L132 VanDerWaalsContact CD2-O 3.3Å
115	V	97.8	Very high	95.8	Very high	15 Å²	15	48.6 Å²	48.6	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.7	175.9	-176.2	0	0	0	0	108.1	W81 I106 L108 E131 L132	W81-V115 HydrophobicContact CH2-CG1 4.1Å; I106-V115 HydrophobicContact CD1-CG1 4.4Å; I106-V115 HydrophobicContact CG2-CG1 3.52Å; L108-V115 HydrophobicContact CB-CG2 4.43Å; L108-V115 HydrophobicContact CD1-CG2 3.72Å; V115-E131 CarbonylContact O-C 3.55Å; V115-E131 WeakPolarHBondContact O-CA 3.34Å; V115-L132 HydrophobicContact CB-CB 4.04Å; V115-L132 HydrophobicContact CB-CD1 4.45Å; V115-L132 HydrophobicContact CG1-CD1 4.48Å; V115-L132 PolarHBondContact N-O 3.17Å; V115-L132 PolarHBondContact O-N 3.37Å
116	L	97.9	Very high	95.4	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.6	167.2	179.8	65.3	0	0	0	108.6	P53 I106 G107 Y118 L130	P53-L116 HydrophobicContact CG-CD2 4.5Å; I106-L116 CarbonylContact C-O 3.59Å; G107-L116 PolarHBondContact N-O 3Å; G107-L116 PolarHBondContact O-N 2.87Å; L116-Y118 HydrophobicContact CD2-CE2 4.26Å; L116-Y118 HydrophobicContact CG-CE2 4.15Å; L116-L130 CarbonylContact C-O 3.58Å; L116-L130 WeakPolarHBondContact CA-O 3.45Å
117	G	97.9	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	170.1	176.1	0	0	0	0	0	114.7	Y105 S129 L130	Y105-G117 CarbonylContact O-C 3.54Å; Y105-G117 WeakPolarHBondContact O-CA 3.4Å; G117-S129 CarbonylContact O-C 3.15Å; G117-S129 WeakPolarHBondContact O-CA 3.22Å; G117-L130 PolarHBondContact N-O 2.76Å; G117-L130 PolarHBondContact O-N 3.12Å
118	Y	97.8	Very high	94.9	Very high	37 Å²	37	59.6 Å²	59.6	15%	0.145	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.7	-178	-62.1	-80.8	0	0	0	109.5	K51 I52 Y104 Y105 L116 F127 Q128	K51-Y118 HydrophobicContact CB-CD2 3.69Å; K51-Y118 HydrophobicContact CB-CE1 4.38Å; K51-Y118 HydrophobicContact CB-CE2 3.34Å; K51-Y118 HydrophobicContact CB-CG 4.36Å; K51-Y118 HydrophobicContact CG-CE2 4.46Å; I52-Y118 HydrophobicContact CG1-CD2 4.3Å; I52-Y118 HydrophobicContact CG1-CE2 4.25Å; Y104-Y118 WeakPolarHBondContact CA-O 3.23Å; Y105-Y118 PolarHBondContact N-O 3.25Å; Y105-Y118 PolarHBondContact O-N 3.11Å; L116-Y118 HydrophobicContact CD2-CE2 4.26Å; L116-Y118 HydrophobicContact CG-CE2 4.15Å; Y118-F127 HydrophobicContact CD1-CB 4.07Å; Y118-Q128 WeakPolarHBondContact CA-O 3.26Å
119	Y	96.4	Very high	94.8	Very high	8 Å²	8	61.8 Å²	61.8	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.2	174.6	-178.9	-109.1	0	0	0	110.7	S99 G102 Y104 H121 Q128	S99-Y119 PolarHBondContact O-OH 3.02Å; G102-Y119 WeakPolarHBondContact CA-OH 3.28Å; G102-Y119 PolarHBondContact N-OH 2.7Å; Y104-Y119 HydrophobicContact CD1-CD2 4.05Å; Y104-Y119 HydrophobicContact CD1-CG 4.44Å; Y104-Y119 HydrophobicContact CD2-CD2 4.31Å; Y104-Y119 AromaticContact CE1-CD2 3.66Å; Y104-Y119 HydrophobicContact CE1-CD2 3.66Å; Y104-Y119 HydrophobicContact CE1-CG 4.07Å; Y104-Y119 AromaticContact CE2-CD2 3.91Å; Y104-Y119 HydrophobicContact CE2-CD2 3.91Å; Y104-Y119 HydrophobicContact CE2-CE2 4.37Å; Y104-Y119 HydrophobicContact CG-CD2 4.36Å; Y104-Y119 AromaticContact CZ-CD2 3.55Å; Y119-H121 HydrophobicContact CE1-CB 3.69Å; Y119-Q128 PolarHBondContact N-O 3.37Å
120	Y	97.1	Very high	94.6	Very high	12 Å²	12	60 Å²	60	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.7	171.1	173.7	-102.7	0	0	0	111.2	D39 A40 T44 H48 G102 F103 Y105	D39-Y120 PolarHBondContact O-OH 3.34Å; A40-Y120 HydrophobicContact CB-CD1 4.36Å; A40-Y120 HydrophobicContact CB-CE1 3.99Å; T44-Y120 HydrophobicContact CG2-CD1 4.19Å; T44-Y120 HydrophobicContact CG2-CD2 3.55Å; T44-Y120 HydrophobicContact CG2-CE1 3.98Å; T44-Y120 HydrophobicContact CG2-CE2 3.32Å; T44-Y120 HydrophobicContact CG2-CG 3.98Å; H48-Y120 AromaticContact CE1-CD2 3.5Å; H48-Y120 AromaticContact NE2-CD2 3.75Å; G102-Y120 CarbonylContact C-O 3.6Å; G102-Y120 WeakPolarHBondContact CA-O 3.06Å; F103-Y120 HydrophobicContact CD1-CD1 4.13Å; F103-Y120 AromaticContact CE1-CD1 3.47Å; F103-Y120 HydrophobicContact CE1-CD1 3.47Å; F103-Y120 VanDerWaalsContact CE1-CD1 3.47Å; F103-Y120 HydrophobicContact CE1-CE1 4.17Å; F103-Y120 HydrophobicContact CE1-CG 4.43Å; F103-Y120 HydrophobicContact CZ-CD1 4.01Å; F103-Y120 PolarHBondContact N-O 3.16Å; F103-Y120 PolarHBondContact O-N 3.41Å; Y105-Y120 HydrophobicContact CE2-CG 4.25Å
121	H	95.3	Very high	94.7	Very high	40 Å²	40	60.8 Å²	60.8	19%	0.185	32%	0.321	C	S	.	.			trans	-152.4	139	165	175.8	-110.9	0	0	0	107.5	Y119 N123 S124	Y119-H121 HydrophobicContact CE1-CB 3.69Å; H121-N123 PolarHBondContact O-N 2.78Å; H121-S124 PolarHBondContact ND1-OG 3.17Å; H121-S124 VanDerWaalsContact ND1-OG 3.1Å; H121-S124 PolarHBondContact O-N 3.43Å
122	L	93.1	Very high	94.7	Very high	102 Å²	102	60.6 Å²	60.6	53%	0.534	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.3	-171.4	-177.8	64.3	0	0	0	113.9	D39	D39-L122 HydrophobicContact CB-CB 4.2Å; D39-L122 HydrophobicContact CB-CD2 4.38Å
123	N	90.5	Very high	94.7	Very high	138 Å²	138	63.1 Å²	63.1	74%	0.738	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	19.5	-176	-57.5	-53.6	0	0	0	113.2	H121	H121-N123 PolarHBondContact O-N 2.78Å
124	S	89.4	Confident	94.6	Very high	39 Å²	39	69.4 Å²	69.4	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-115.8	161	179.4	-63.6	0	0	0	0	110.7	H121 M126	H121-S124 PolarHBondContact ND1-OG 3.17Å; H121-S124 VanDerWaalsContact ND1-OG 3.1Å; H121-S124 PolarHBondContact O-N 3.43Å; S124-M126 PolarHBondContact O-N 3.25Å
125	E	90.4	Very high	94.3	Very high	146 Å²	146	76.3 Å²	76.3	68%	0.682	37%	0.37	S	S	*	.			trans	-57.9	130.9	171.4	-175.4	-178.3	-169.8	0	0	110	Q128	E125-Q128 HydrophobicContact CB-CG 4.39Å
126	M	90.3	Very high	93.6	Very high	86 Å²	86	79.7 Å²	79.7	42%	0.424	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	149.5	179.6	-65.6	-177.4	75.3	0	0	111.1	L47 S124 Q128	L47-M126 HydrophobicContact CD1-CE 4.46Å; S124-M126 PolarHBondContact O-N 3.25Å; M126-Q128 VanDerWaalsContact C-N 3.33Å; M126-Q128 PolarHBondContact O-N 3.26Å
127	F	93.1	Very high	92.8	Very high	62 Å²	62	84.3 Å²	84.3	27%	0.272	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	28.9	170.7	-43.1	-63.7	0	0	0	115.5	L47 H48 K51 Y118 S129	L47-F127 HydrophobicContact CB-CZ 4.3Å; H48-F127 AromaticContact CD2-CD1 3.97Å; H48-F127 AromaticContact NE2-CD1 3.98Å; H48-F127 AromaticContact NE2-CE1 3.99Å; K51-F127 HydrophobicContact CD-CD1 4.26Å; K51-F127 HydrophobicContact CD-CE1 4.41Å; K51-F127 HydrophobicContact CG-CD1 3.84Å; K51-F127 HydrophobicContact CG-CE1 3.89Å; Y118-F127 HydrophobicContact CD1-CB 4.07Å; F127-S129 PolarHBondContact O-N 3.09Å; F127-S129 VanDerWaalsContact O-N 3.11Å
128	Q	93.8	Very high	91.8	Very high	89 Å²	89	90.4 Å²	90.4	42%	0.416	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	116.2	164.2	-67.8	-177.9	0.7	0	0	108.9	Y118 Y119 E125 M126	Y118-Q128 WeakPolarHBondContact CA-O 3.26Å; Y119-Q128 PolarHBondContact N-O 3.37Å; E125-Q128 HydrophobicContact CB-CG 4.39Å; M126-Q128 VanDerWaalsContact C-N 3.33Å; M126-Q128 PolarHBondContact O-N 3.26Å
129	S	94.5	Very high	90.5	Very high	90 Å²	90	93.6 Å²	93.6	63%	0.629	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	142	-169.6	59.8	0	0	0	0	112.8	G117 F127	G117-S129 CarbonylContact O-C 3.15Å; G117-S129 WeakPolarHBondContact O-CA 3.22Å; F127-S129 PolarHBondContact O-N 3.09Å; F127-S129 VanDerWaalsContact O-N 3.11Å
130	L	94.4	Very high	89.1	Confident	28 Å²	28	98.1 Å²	98.1	15%	0.147	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.5	168.8	176	66.1	0	0	0	108.1	M6 W81 Y104 I106 L116 G117 L132	M6-L130 HydrophobicContact CE-CD2 4.37Å; M6-L130 HydrophobicContact SD-CD2 4.37Å; W81-L130 HydrophobicContact CE3-CD2 4.46Å; W81-L130 HydrophobicContact CZ3-CD2 4.29Å; Y104-L130 HydrophobicContact CD1-CB 4.4Å; Y104-L130 HydrophobicContact CD1-CD2 4.13Å; Y104-L130 HydrophobicContact CE1-CD2 4.46Å; I106-L130 HydrophobicContact CD1-CD2 3.91Å; L116-L130 CarbonylContact C-O 3.58Å; L116-L130 WeakPolarHBondContact CA-O 3.45Å; G117-L130 PolarHBondContact N-O 2.76Å; G117-L130 PolarHBondContact O-N 3.12Å; L130-L132 HydrophobicContact CD1-CD1 4.23Å; L130-L132 HydrophobicContact CD1-CD2 3.9Å; L130-L132 HydrophobicContact CD1-CG 3.98Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.28Å; L130-L132 HydrophobicContact CG-CG 4.16Å
131	E	96.3	Very high	87.9	Confident	114 Å²	114	101 Å²	101	53%	0.533	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.6	174.9	-164.4	-175.5	146.4	0	0	109.4	H114 V115	H114-E131 IonicContact CE1-OE1 3.48Å; H114-E131 WeakPolarHBondContact NE2-CG 3.24Å; H114-E131 IonicContact NE2-OE1 3.66Å; H114-E131 PolarHBondContact NE2-OE1 2.97Å; V115-E131 CarbonylContact O-C 3.55Å; V115-E131 WeakPolarHBondContact O-CA 3.34Å
132	L	96.1	Very high	87	Confident	73 Å²	73	106.1 Å²	106.1	38%	0.382	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130	139.2	179.7	-48.7	167.5	0	0	0	110.1	W81 H114 V115 L130	W81-L132 HydrophobicContact CH2-CD1 4.48Å; W81-L132 HydrophobicContact CZ3-CD1 4.23Å; H114-L132 PolarHBondContact CD2-O 2.97Å; H114-L132 VanDerWaalsContact CD2-O 3.3Å; V115-L132 HydrophobicContact CB-CB 4.04Å; V115-L132 HydrophobicContact CB-CD1 4.45Å; V115-L132 HydrophobicContact CG1-CD1 4.48Å; V115-L132 PolarHBondContact N-O 3.17Å; V115-L132 PolarHBondContact O-N 3.37Å; L130-L132 HydrophobicContact CD1-CD1 4.23Å; L130-L132 HydrophobicContact CD1-CD2 3.9Å; L130-L132 HydrophobicContact CD1-CG 3.98Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.28Å; L130-L132 HydrophobicContact CG-CG 4.16Å
133	K	94.3	Very high	86.3	Confident	158 Å²	158	109 Å²	109	69%	0.687	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.7	134	174.6	-66	178.9	-177.2	174.2	0	109.5	K135	K133-K135 PolarHBondContact O-N 2.82Å
134	Y	92.7	Very high	85.9	Confident	149 Å²	149	109.5 Å²	109.5	58%	0.584	57%	0.565	S	S	*	*			trans	-57.4	126.1	173.2	178.4	-114.9	0	0	0	110.4	G113 P136	G113-Y134 VanDerWaalsContact O-CB 3.3Å; G113-Y134 WeakPolarHBondContact O-CB 3.33Å; G113-Y134 PolarHBondContact O-N 3.03Å; Y134-P136 HydrophobicContact CD1-CG 3.99Å; Y134-P136 HydrophobicContact CE1-CB 3.99Å; Y134-P136 HydrophobicContact CE1-CG 3.63Å
135	K	91.2	Very high	85.1	Confident	186 Å²	186	115.1 Å²	115.1	81%	0.809	59%	0.591	S	S	*	*			trans	-111.5	106.3	172.7	-176.2	-179.7	178.4	-177.9	0	107.5	K133 E137	K133-K135 PolarHBondContact O-N 2.82Å; K135-E137 PolarHBondContact O-N 3.09Å
136	P	83.5	Confident	84.1	Confident	87 Å²	87	121.8 Å²	121.8	57%	0.565	61%	0.61	S	S	*	*			trans	-57.4	139.2	177.1	-20.8	29	0	0	0	111.3	Y134	Y134-P136 HydrophobicContact CD1-CG 3.99Å; Y134-P136 HydrophobicContact CE1-CB 3.99Å; Y134-P136 HydrophobicContact CE1-CG 3.63Å
137	E	81.1	Confident	83.8	Confident	126 Å²	126	123.6 Å²	123.6	59%	0.589	62%	0.62	S	S	*	*			trans	-66.2	147.8	165.1	-67.7	-177.3	168.6	0	0	109.4	K135 T139 S141	K135-E137 PolarHBondContact O-N 3.09Å; E137-T139 WeakPolarHBondContact CB-O 3.24Å; E137-T139 PolarHBondContact O-N 3.38Å; E137-T139 VanDerWaalsContact O-N 3.14Å; E137-S141 PolarHBondContact OE2-OG 2.97Å
138	S	76.3	Confident	83.3	Confident	128 Å²	128	126.8 Å²	126.8	90%	0.895	64%	0.638	S	S	*	*	S	Bend	trans	-60.4	-23.3	175.8	54.1	0	0	0	0	112.6
139	T	71.2	Confident	82.7	Confident	105 Å²	105	128.9 Å²	128.9	64%	0.644	65%	0.65	S	S	*	*	S	Bend	trans	-127	113.9	175.2	-36.9	0	0	0	0	107.6	E137 S141	E137-T139 WeakPolarHBondContact CB-O 3.24Å; E137-T139 PolarHBondContact O-N 3.38Å; E137-T139 VanDerWaalsContact O-N 3.14Å; T139-S141 PolarHBondContact O-N 3.16Å; T139-S141 VanDerWaalsContact O-N 3.07Å
140	P	65.9	Low	82	Confident	102 Å²	102	131.2 Å²	131.2	66%	0.662	65%	0.651	S	S	*	*			trans	-68.5	111.4	-177.3	23.9	-30.7	0	0	0	110.5	I142	P140-I142 HydrophobicContact CB-CD1 4.13Å; P140-I142 HydrophobicContact CB-CG1 4.1Å; P140-I142 PolarHBondContact O-N 3.08Å
141	S	73.1	Confident	81.3	Confident	73 Å²	73	137.7 Å²	137.7	51%	0.51	68%	0.683	S	S	.	*			trans	-88.9	43.1	171	57.6	0	0	0	0	111	E137 T139 F143	E137-S141 PolarHBondContact OE2-OG 2.97Å; T139-S141 PolarHBondContact O-N 3.16Å; T139-S141 VanDerWaalsContact O-N 3.07Å; S141-F143 WeakPolarHBondContact O-CD1 3.26Å; S141-F143 PolarHBondContact O-N 3.37Å
142	I	75.2	Confident	80.3	Confident	147 Å²	147	139.3 Å²	139.3	75%	0.754	69%	0.693	S	S	*	*			trans	-76.9	117.7	-177	-57.5	172.3	0	0	0	109.1	P140	P140-I142 HydrophobicContact CB-CD1 4.13Å; P140-I142 HydrophobicContact CB-CG1 4.1Å; P140-I142 PolarHBondContact O-N 3.08Å
143	F	78.8	Confident	79.1	Confident	164 Å²	164	144 Å²	144	72%	0.719	72%	0.715	S	S	*	*			trans	-131.3	145.3	170.2	57.6	-89.6	0	0	0	109.8	S141 L145	S141-F143 WeakPolarHBondContact O-CD1 3.26Å; S141-F143 PolarHBondContact O-N 3.37Å; F143-L145 HydrophobicContact CD2-CG 4.46Å
144	Q	82.9	Confident	78	Confident	148 Å²	148	142.9 Å²	142.9	69%	0.692	72%	0.717	S	S	*	*			trans	-130	114.1	167.7	-179.8	-179.5	-29.8	0	0	107
145	L	71.4	Confident	76.7	Confident	157 Å²	157	142.4 Å²	142.4	82%	0.822	73%	0.728	S	S	*	*			trans	-87.7	135.1	169.9	-58	173.8	0	0	0	107.3	F143	F143-L145 HydrophobicContact CD2-CG 4.46Å
146	R	70.2	Confident	75.4	Confident	286 Å²	286	138.5 Å²	138.5	100%	1.079	72%	0.721	S	S	*	*			trans	-113.6	0	176.2	-69.2	-174.7	-178.4	-176.8	1.8	109.7

Retrieved 146 of 146 residues in 184 ms (Link to these results)

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