A0A087X2K7_POEFO Loading...

Ras-related protein Rab-24

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB24 is an atypical RAB protein that presents low GTPase activity and thereby exists predominantly in the GTP-bound active state. RAB24 is required for the clearance of late autophagic vacuoles under basal conditions. It is not needed for starvation-induced autophagy. Involved in the modulation of meiotic apparatus assembly and meiotic progression during oocyte maturation, possibly through regulation of kinetochore-microtubule interaction.

AlphaFold DB , UniProt , Accession A0A087X2K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	78.9	Confident	241 Å²	241	84.8 Å²	84.8	100%	1.187	45%	0.453	S	S	*	.				0	114.8	0	-68.1	172.3	-173.8	0	0	106.4	A3	M1-A3 PolarHBondContact O-N 3.34Å
2	S	45	Very low	80.4	Confident	127 Å²	127	77.8 Å²	77.8	89%	0.888	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-66.8	123.7	178.1	-172.4	0	0	0	0	107.9	M4	S2-M4 PolarHBondContact O-N 3.1Å
3	A	60.7	Low	81.7	Confident	88 Å²	88	71.8 Å²	71.8	73%	0.727	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-61.1	131.9	174.6	0	0	0	0	0	108	M1 R5	M1-A3 PolarHBondContact O-N 3.34Å; A3-R5 PolarHBondContact O-N 3.4Å; A3-R5 VanDerWaalsContact O-N 3.1Å
4	M	70.4	Confident	82.7	Confident	116 Å²	116	66.7 Å²	66.7	57%	0.571	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-54.9	120.5	174.6	-175.6	-178.1	-73.6	0	0	108.3	S2 V6 A47 T58	S2-M4 PolarHBondContact O-N 3.1Å; M4-V6 PolarHBondContact O-N 3.33Å; M4-A47 HydrophobicContact SD-CB 3.6Å; M4-A47 VanDerWaalsContact SD-CB 3.6Å; M4-T58 HydrophobicContact CG-CG2 4.04Å; M4-T58 HydrophobicContact SD-CG2 3.77Å
5	R	85.1	Confident	83.5	Confident	205 Å²	205	65.9 Å²	65.9	77%	0.774	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.4	124.9	177.7	-178.1	-179.3	176.8	-179.5	-0.9	108.2	A3 T58	A3-R5 PolarHBondContact O-N 3.4Å; A3-R5 VanDerWaalsContact O-N 3.1Å; R5-T58 VanDerWaalsContact O-CB 3.29Å; R5-T58 WeakPolarHBondContact O-CB 3.49Å; R5-T58 WeakPolarHBondContact O-CG2 3.29Å
6	V	90	Very high	84	Confident	53 Å²	53	66.3 Å²	66.3	32%	0.321	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-90.5	128.7	171	171.4	0	0	0	0	108	M4 F45	M4-V6 PolarHBondContact O-N 3.33Å; V6-F45 HydrophobicContact CG2-CE2 4.31Å; V6-F45 HydrophobicContact CG2-CZ 3.75Å
7	D	92.6	Very high	84.6	Confident	58 Å²	58	65.5 Å²	65.5	31%	0.31	35%	0.349	S	S	.	.	S	Bend	trans	-89.1	-45.2	177.4	-59.1	-58.2	0	0	0	110.6	I57 T58 F172	D7-I57 HydrophobicContact CB-CG2 3.98Å; D7-T58 PolarHBondContact N-O 3Å; D7-T58 PolarHBondContact OD2-N 2.8Å; D7-F172 HydrophobicContact CB-CE1 3.88Å; D7-F172 HydrophobicContact CB-CZ 4.28Å; D7-F172 WeakPolarHBondContact O-CZ 3.48Å
8	A	94	Very high	85.2	Confident	1 Å²	1	62 Å²	62	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.7	180	0	0	0	0	0	111.6	T58 L59 G60 F172	A8-T58 PolarHBondContact N-O 3.26Å; A8-L59 HydrophobicContact CB-CD2 3.88Å; A8-G60 PolarHBondContact O-N 2.89Å; A8-F172 HydrophobicContact CB-CB 4.29Å; A8-F172 HydrophobicContact CB-CD1 3.89Å; A8-F172 HydrophobicContact CB-CD2 3.64Å; A8-F172 HydrophobicContact CB-CE1 4.11Å; A8-F172 HydrophobicContact CB-CE2 3.86Å; A8-F172 HydrophobicContact CB-CG 3.65Å; A8-F172 HydrophobicContact CB-CZ 4.09Å
9	K	95.8	Very high	85.8	Confident	44 Å²	44	59.4 Å²	59.4	19%	0.191	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.9	170	-179.1	177.6	174.9	-175.2	0	109.5	Y77 R79 A81 R82 A83	K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 2.84Å; K9-R79 PolarHBondContact NZ-O 2.78Å; K9-A81 HydrophobicContact CG-CB 4.5Å; K9-R82 PolarHBondContact O-N 3.1Å; K9-A83 PolarHBondContact O-N 3.26Å
10	V	97.8	Very high	86.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	176.6	-173	0	0	0	0	108.7	L59 G60 I61 W62 A83 V85 V168	V10-L59 HydrophobicContact CG2-CB 4.32Å; V10-L59 HydrophobicContact CG2-CD2 4.18Å; V10-G60 PolarHBondContact N-O 3.13Å; V10-I61 HydrophobicContact CB-CG1 4.33Å; V10-I61 CarbonylContact O-C 3.49Å; V10-I61 WeakPolarHBondContact O-CA 3.49Å; V10-W62 PolarHBondContact O-N 3.43Å; V10-A83 VanDerWaalsContact CA-O 3.31Å; V10-A83 WeakPolarHBondContact CA-O 3.41Å; V10-A83 HydrophobicContact CG1-CB 4.43Å; V10-A83 HydrophobicContact CG2-CB 4.36Å; V10-V85 HydrophobicContact CG1-CG2 4.1Å; V10-V168 HydrophobicContact CG2-CG1 3.81Å
11	V	97.3	Very high	86.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.3	176.2	66.6	0	0	0	0	111.2	L13 W62 T64 A81 A83 A84 V85	V11-L13 HydrophobicContact CG1-CD1 4.37Å; V11-L13 HydrophobicContact CG1-CG 4.32Å; V11-L13 HydrophobicContact CG2-CD2 4.03Å; V11-L13 HydrophobicContact CG2-CG 4.15Å; V11-W62 HydrophobicContact CG2-CB 4.36Å; V11-T64 HydrophobicContact CG2-CG2 3.72Å; V11-A81 HydrophobicContact CB-CB 4.33Å; V11-A81 HydrophobicContact CG1-CB 3.85Å; V11-A83 PolarHBondContact N-O 2.98Å; V11-A84 HydrophobicContact CG1-CB 3.68Å; V11-A84 CarbonylContact O-C 3.57Å; V11-A84 WeakPolarHBondContact O-CA 3.28Å; V11-V85 PolarHBondContact O-N 2.81Å
12	M	97.6	Very high	89.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	172.2	-52.5	-62.3	-64.6	0	0	108.7	K20 L23 V24 I61 W62 T64 V85 F165	M12-K20 HydrophobicContact CB-CB 4.21Å; M12-K20 HydrophobicContact CB-CD 4.15Å; M12-K20 HydrophobicContact CB-CG 4.42Å; M12-L23 HydrophobicContact CE-CB 4.45Å; M12-L23 HydrophobicContact CE-CD2 3.8Å; M12-L23 HydrophobicContact CE-CG 4.38Å; M12-V24 HydrophobicContact CE-CG2 4.13Å; M12-V24 HydrophobicContact CG-CG2 3.71Å; M12-V24 HydrophobicContact SD-CG2 4.02Å; M12-I61 HydrophobicContact CG-CG2 3.99Å; M12-I61 HydrophobicContact SD-CG2 4.14Å; M12-W62 WeakPolarHBondContact CB-O 3.39Å; M12-W62 PolarHBondContact N-O 2.95Å; M12-T64 WeakPolarHBondContact O-CB 3.49Å; M12-T64 WeakPolarHBondContact O-CG2 3.36Å; M12-T64 PolarHBondContact O-OG1 3.13Å; M12-V85 WeakPolarHBondContact CA-O 3.4Å; M12-V85 HydrophobicContact CE-CB 3.99Å; M12-V85 HydrophobicContact CE-CG1 3.9Å; M12-V85 HydrophobicContact SD-CB 3.79Å; M12-V85 HydrophobicContact SD-CG1 4.36Å; M12-V85 HydrophobicContact SD-CG2 4.19Å; M12-F165 HydrophobicContact CE-CZ 4.39Å; M12-F165 HydrophobicContact SD-CE1 4.33Å; M12-F165 HydrophobicContact SD-CZ 4.14Å
13	L	96.5	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.5	177.5	-64.3	177.2	0	0	0	111.1	V11 K20 T64 Y78 V85 V86 C87 W102 L106	V11-L13 HydrophobicContact CG1-CD1 4.37Å; V11-L13 HydrophobicContact CG1-CG 4.32Å; V11-L13 HydrophobicContact CG2-CD2 4.03Å; V11-L13 HydrophobicContact CG2-CG 4.15Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.36Å; L13-T64 HydrophobicContact CD2-CG2 4.4Å; L13-Y78 HydrophobicContact CD1-CD1 4.47Å; L13-V85 PolarHBondContact N-O 2.9Å; L13-V86 HydrophobicContact CB-CG2 4.49Å; L13-V86 CarbonylContact O-C 3.51Å; L13-V86 WeakPolarHBondContact O-CA 3.38Å; L13-C87 PolarHBondContact O-N 2.82Å; L13-W102 HydrophobicContact CB-CB 4.34Å; L13-W102 HydrophobicContact CB-CD2 4.32Å; L13-W102 HydrophobicContact CB-CG 4.11Å; L13-W102 HydrophobicContact CD1-CB 4.43Å; L13-W102 HydrophobicContact CD1-CD2 4.33Å; L13-W102 HydrophobicContact CD1-CE3 4.03Å; L13-W102 HydrophobicContact CD2-CE3 4.42Å; L13-L106 HydrophobicContact CD1-CD1 3.82Å; L13-L106 HydrophobicContact CD1-CD2 4.04Å; L13-L106 HydrophobicContact CD1-CG 3.99Å
14	G	96.1	Very high	93.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	136.1	165.7	-176.9	0	0	0	0	0	112.8	K20 G66 C87	G14-K20 PolarHBondContact O-NZ 2.84Å; G14-G66 WeakPolarHBondContact O-CA 3.11Å; G14-C87 WeakPolarHBondContact CA-O 3.3Å
15	K	94.9	Very high	95.2	Very high	55 Å²	55	34.2 Å²	34.2	24%	0.239	17%	0.174	C	C	.	.			trans	-56.3	158.6	-180	-172.8	-178.3	171	-165.2	0	111.8	V18 K20 G66 D92 S94 R98	K15-V18 HydrophobicContact CB-CG1 3.79Å; K15-V18 WeakPolarHBondContact O-CG1 3.37Å; K15-V18 VanDerWaalsContact O-CG2 3.22Å; K15-V18 WeakPolarHBondContact O-CG2 3.32Å; K15-K20 PolarHBondContact O-NZ 3.29Å; K15-G66 CarbonylContact C-O 3.5Å; K15-D92 IonicContact NZ-OD1 3.57Å; K15-D92 IonicContact NZ-OD2 3.29Å; K15-D92 PolarHBondContact NZ-OD2 3.1Å; K15-S94 PolarHBondContact NZ-OG 3.33Å; K15-R98 HydrophobicContact CB-CB 4.17Å; K15-R98 HydrophobicContact CB-CG 4.11Å
16	E	91.9	Very high	95.8	Very high	72 Å²	72	26.7 Å²	26.7	34%	0.336	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	152.8	168.7	61.3	-175.9	-153.9	0	0	111.4	V18 G66 S67	E16-V18 PolarHBondContact O-N 2.75Å; E16-G66 PolarHBondContact N-O 2.79Å; E16-S67 VanDerWaalsContact OE2-CB 3.24Å; E16-S67 WeakPolarHBondContact OE2-CB 3.49Å; E16-S67 PolarHBondContact OE2-OG 3.23Å
17	S	93.3	Very high	96.2	Very high	53 Å²	53	24.6 Å²	24.6	37%	0.371	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	3.3	176.9	-51.5	0	0	0	0	117.7	G19 Y37 K121	S17-G19 VanDerWaalsContact C-N 3.32Å; S17-G19 PolarHBondContact O-N 2.87Å; S17-Y37 PolarHBondContact N-OH 2.98Å; S17-Y37 VanDerWaalsContact N-OH 3.13Å; S17-Y37 VanDerWaalsContact OG-CE1 3.25Å; S17-Y37 WeakPolarHBondContact OG-CE1 3.45Å; S17-Y37 PolarHBondContact OG-OH 3.36Å; S17-K121 WeakPolarHBondContact O-CE 3.34Å; S17-K121 PolarHBondContact O-NZ 2.95Å
18	V	96.4	Very high	96.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.122	C	C	.	.	S	Bend	trans	-68.6	-31.1	176.2	-58.4	0	0	0	0	112.1	K15 E16 K20 C87 D89 T120 K121	K15-V18 HydrophobicContact CB-CG1 3.79Å; K15-V18 WeakPolarHBondContact O-CG1 3.37Å; K15-V18 VanDerWaalsContact O-CG2 3.22Å; K15-V18 WeakPolarHBondContact O-CG2 3.32Å; E16-V18 PolarHBondContact O-N 2.75Å; V18-K20 HydrophobicContact CG2-CG 3.85Å; V18-C87 HydrophobicContact CG2-CB 3.78Å; V18-D89 HydrophobicContact CB-CB 4.36Å; V18-D89 HydrophobicContact CG1-CB 4.33Å; V18-T120 PolarHBondContact O-OG1 2.87Å; V18-K121 WeakPolarHBondContact O-CE 3.11Å
19	G	96.2	Very high	96.4	Very high	13 Å²	13	27.2 Å²	27.2	13%	0.134	14%	0.143	C	C	.	.	S	Bend	trans	121.9	16	176.2	0	0	0	0	0	115.8	S17 T21 S22 L23	S17-G19 VanDerWaalsContact C-N 3.32Å; S17-G19 PolarHBondContact O-N 2.87Å; G19-T21 PolarHBondContact O-N 2.79Å; G19-S22 PolarHBondContact O-N 3.47Å; G19-L23 WeakPolarHBondContact O-CB 3.4Å; G19-L23 PolarHBondContact O-N 3.37Å
20	K	96.8	Very high	96.4	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.039	16%	0.159	C	C	.	.	H	α-helix	trans	-50.4	-55.1	176.3	-60	-175.1	-59.9	-73.7	0	112.7	M12 L13 G14 K15 V18 S22 L23 V24 D63 T64 G66 C87	M12-K20 HydrophobicContact CB-CB 4.21Å; M12-K20 HydrophobicContact CB-CD 4.15Å; M12-K20 HydrophobicContact CB-CG 4.42Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.36Å; G14-K20 PolarHBondContact O-NZ 2.84Å; K15-K20 PolarHBondContact O-NZ 3.29Å; V18-K20 HydrophobicContact CG2-CG 3.85Å; K20-S22 VanDerWaalsContact C-N 3.35Å; K20-S22 PolarHBondContact O-N 2.67Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 3.4Å; K20-L23 VanDerWaalsContact O-N 3.12Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 2.96Å; K20-D63 WeakPolarHBondContact CB-OD1 3.31Å; K20-T64 WeakPolarHBondContact CE-O 3.49Å; K20-G66 VanDerWaalsContact NZ-CA 3.3Å; K20-C87 HydrophobicContact CG-CB 3.87Å
21	T	96.3	Very high	96.3	Very high	54 Å²	54	35.8 Å²	35.8	33%	0.331	18%	0.179	S	C	.	.	H	α-helix	trans	-60.6	-43.1	178.8	-48	0	0	0	0	112	G19 L23 V24 E25 T40 D63	G19-T21 PolarHBondContact O-N 2.79Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 2.93Å; T21-V24 PolarHBondContact O-N 2.96Å; T21-E25 WeakPolarHBondContact O-CB 3.42Å; T21-E25 WeakPolarHBondContact O-CG 3.12Å; T21-E25 PolarHBondContact O-N 2.85Å; T21-T40 PolarHBondContact OG1-OG1 2.89Å; T21-D63 WeakPolarHBondContact CA-OD2 3.45Å; T21-D63 VanDerWaalsContact CB-OD2 3.27Å; T21-D63 WeakPolarHBondContact CB-OD2 3.38Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.17Å; T21-D63 PolarHBondContact N-OD1 2.84Å; T21-D63 PolarHBondContact OG1-OD1 2.94Å; T21-D63 PolarHBondContact OG1-OD2 3.4Å
22	S	97.1	Very high	96.2	Very high	43 Å²	43	39.5 Å²	39.5	30%	0.301	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-35.4	176.8	-55.1	0	0	0	0	112.4	G19 K20 R26 S155	G19-S22 PolarHBondContact O-N 3.47Å; K20-S22 VanDerWaalsContact C-N 3.35Å; K20-S22 PolarHBondContact O-N 2.67Å; S22-R26 VanDerWaalsContact O-CB 3.29Å; S22-R26 WeakPolarHBondContact O-CB 2.99Å; S22-R26 PolarHBondContact O-N 3.42Å; S22-S155 WeakPolarHBondContact O-CB 3.18Å
23	L	98.3	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-44.6	177.1	-170.7	62.1	0	0	0	111	M12 G19 K20 T21 R26 Y27 V85 T153 S155 V161 L164 F165	M12-L23 HydrophobicContact CE-CB 4.45Å; M12-L23 HydrophobicContact CE-CD2 3.8Å; M12-L23 HydrophobicContact CE-CG 4.38Å; G19-L23 WeakPolarHBondContact O-CB 3.4Å; G19-L23 PolarHBondContact O-N 3.37Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 3.4Å; K20-L23 VanDerWaalsContact O-N 3.12Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 2.93Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 2.76Å; L23-V85 HydrophobicContact CD2-CG1 4.5Å; L23-T153 HydrophobicContact CD1-CG2 4.48Å; L23-S155 VanDerWaalsContact CA-OG 3.3Å; L23-S155 WeakPolarHBondContact CA-OG 3.48Å; L23-S155 PolarHBondContact N-OG 2.84Å; L23-V161 HydrophobicContact CD1-CB 4.2Å; L23-V161 HydrophobicContact CD1-CG1 3.78Å; L23-V161 HydrophobicContact CD1-CG2 3.59Å; L23-L164 HydrophobicContact CD2-CD2 4.09Å; L23-F165 HydrophobicContact CG-CE2 4.27Å
24	V	97.8	Very high	95.2	Very high	12 Å²	12	51 Å²	51	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-46.1	174.4	177.5	0	0	0	0	111.4	M12 K20 T21 R26 Y27 V28 V46 I61 D63	M12-V24 HydrophobicContact CE-CG2 4.13Å; M12-V24 HydrophobicContact CG-CG2 3.71Å; M12-V24 HydrophobicContact SD-CG2 4.02Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 2.96Å; T21-V24 PolarHBondContact O-N 2.96Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 2.99Å; V24-Y27 PolarHBondContact O-N 3.12Å; V24-V28 HydrophobicContact CG1-CG2 4.12Å; V24-V28 WeakPolarHBondContact O-CB 3.39Å; V24-V28 WeakPolarHBondContact O-CG2 3.14Å; V24-V28 PolarHBondContact O-N 2.95Å; V24-V46 HydrophobicContact CG1-CG1 3.76Å; V24-I61 HydrophobicContact CG1-CG2 4.31Å; V24-I61 HydrophobicContact CG2-CG2 3.83Å; V24-D63 HydrophobicContact CG2-CB 4.27Å
25	E	96.9	Very high	94.4	Very high	43 Å²	43	53.7 Å²	53.7	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-43	176.1	-80.9	-71.2	149.1	0	0	112.1	T21 H29 R31 L33	T21-E25 WeakPolarHBondContact O-CB 3.42Å; T21-E25 WeakPolarHBondContact O-CG 3.12Å; T21-E25 PolarHBondContact O-N 2.85Å; E25-H29 WeakPolarHBondContact O-CA 3.38Å; E25-H29 WeakPolarHBondContact O-CB 3.47Å; E25-H29 PolarHBondContact O-N 3.14Å; E25-H29 IonicContact OE1-CD2 3.85Å; E25-H29 IonicContact OE2-CD2 3.33Å; E25-H29 PolarHBondContact OE2-CD2 3.09Å; E25-R31 IonicContact OE1-NH2 3.69Å; E25-R31 IonicContact OE2-CZ 3.25Å; E25-R31 VanDerWaalsContact OE2-CZ 3.25Å; E25-R31 IonicContact OE2-NE 2.82Å; E25-R31 PolarHBondContact OE2-NE 2.9Å; E25-R31 IonicContact OE2-NH2 2.81Å; E25-R31 PolarHBondContact OE2-NH2 2.84Å; E25-L33 HydrophobicContact CG-CD1 4.45Å
26	R	97.9	Very high	93.5	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.177	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-47.3	176.5	172.7	55.4	70.7	-176.1	7.4	111.1	S22 L23 V24 H30 R31 S155 K156 V161	S22-R26 VanDerWaalsContact O-CB 3.29Å; S22-R26 WeakPolarHBondContact O-CB 2.99Å; S22-R26 PolarHBondContact O-N 3.42Å; L23-R26 PolarHBondContact O-N 3.46Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 2.99Å; R26-H30 PolarHBondContact NH1-O 2.93Å; R26-H30 WeakPolarHBondContact O-CA 3.33Å; R26-H30 PolarHBondContact O-N 2.82Å; R26-R31 VanDerWaalsContact CA-O 3.31Å; R26-R31 WeakPolarHBondContact CA-O 3.42Å; R26-R31 PolarHBondContact N-O 3.33Å; R26-S155 PolarHBondContact NE-O 3.28Å; R26-S155 PolarHBondContact NH2-O 2.82Å; R26-K156 PolarHBondContact NH2-O 2.78Å; R26-V161 HydrophobicContact CB-CG1 4.36Å; R26-V161 HydrophobicContact CG-CB 4.16Å; R26-V161 HydrophobicContact CG-CG1 3.92Å; R26-V161 HydrophobicContact CG-CG2 3.96Å
27	Y	98.3	Very high	92.7	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-45	-178.7	176.8	-121	0	0	0	112.6	L23 V24 K48 I50 I61 D162 F165	L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 2.76Å; V24-Y27 PolarHBondContact O-N 3.12Å; Y27-K48 HydrophobicContact CE1-CB 4.13Å; Y27-K48 HydrophobicContact CE1-CG 3.7Å; Y27-I50 WeakPolarHBondContact OH-CD1 3.27Å; Y27-I61 HydrophobicContact CD1-CD1 3.72Å; Y27-I61 HydrophobicContact CE1-CD1 3.71Å; Y27-D162 WeakPolarHBondContact CD2-OD1 3.4Å; Y27-F165 HydrophobicContact CD1-CB 4.2Å; Y27-F165 HydrophobicContact CD1-CD1 4.02Å; Y27-F165 AromaticContact CD1-CD2 3.58Å; Y27-F165 HydrophobicContact CD1-CD2 3.58Å; Y27-F165 HydrophobicContact CD1-CE1 4.29Å; Y27-F165 AromaticContact CD1-CE2 3.89Å; Y27-F165 HydrophobicContact CD1-CE2 3.89Å; Y27-F165 AromaticContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CZ 4.23Å; Y27-F165 HydrophobicContact CD2-CB 3.91Å; Y27-F165 AromaticContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CE2 4.33Å; Y27-F165 AromaticContact CD2-CG 3.93Å; Y27-F165 HydrophobicContact CD2-CG 3.93Å; Y27-F165 HydrophobicContact CE1-CB 3.78Å; Y27-F165 AromaticContact CE1-CD1 3.97Å; Y27-F165 HydrophobicContact CE1-CD1 3.97Å; Y27-F165 HydrophobicContact CE1-CD2 4.07Å; Y27-F165 AromaticContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE2-CB 3.48Å; Y27-F165 VanDerWaalsContact CE2-CB 3.48Å; Y27-F165 HydrophobicContact CE2-CD2 4.04Å; Y27-F165 AromaticContact CE2-CG 3.97Å; Y27-F165 HydrophobicContact CE2-CG 3.97Å; Y27-F165 HydrophobicContact CG-CB 4.26Å; Y27-F165 AromaticContact CG-CD2 3.29Å; Y27-F165 HydrophobicContact CG-CD2 3.29Å; Y27-F165 AromaticContact CG-CE2 3.68Å; Y27-F165 HydrophobicContact CG-CE2 3.68Å; Y27-F165 AromaticContact CG-CG 3.8Å; Y27-F165 HydrophobicContact CG-CG 3.8Å; Y27-F165 HydrophobicContact CG-CZ 4.45Å; Y27-F165 VanDerWaalsContact CZ-CB 3.41Å; Y27-F165 AromaticContact CZ-CG 3.84Å
28	V	96.4	Very high	92.1	Very high	17 Å²	17	63.1 Å²	63.1	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-78	-44.8	-173.7	176.6	0	0	0	0	111.5	V24 V46 K48	V24-V28 HydrophobicContact CG1-CG2 4.12Å; V24-V28 WeakPolarHBondContact O-CB 3.39Å; V24-V28 WeakPolarHBondContact O-CG2 3.14Å; V24-V28 PolarHBondContact O-N 2.95Å; V28-V46 HydrophobicContact CG1-CG2 3.89Å; V28-V46 HydrophobicContact CG2-CG1 3.9Å; V28-V46 HydrophobicContact CG2-CG2 3.99Å; V28-K48 PolarHBondContact O-NZ 2.96Å; V28-K48 VanDerWaalsContact O-NZ 3.1Å
29	H	95.7	Very high	91.5	Very high	98 Å²	98	67.2 Å²	67.2	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-113.3	1.1	-167.2	-61.4	-60.2	0	0	0	113.9	E25 R31	E25-H29 WeakPolarHBondContact O-CA 3.38Å; E25-H29 WeakPolarHBondContact O-CB 3.47Å; E25-H29 PolarHBondContact O-N 3.14Å; E25-H29 IonicContact OE1-CD2 3.85Å; E25-H29 IonicContact OE2-CD2 3.33Å; E25-H29 PolarHBondContact OE2-CD2 3.09Å; H29-R31 HydrophobicContact CB-CG 3.86Å; H29-R31 PolarHBondContact O-N 2.88Å; H29-R31 VanDerWaalsContact O-N 3.12Å
30	H	95.6	Very high	90.7	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.519	36%	0.356	S	S	.	.	S	Bend	trans	51.4	35.8	-178.9	-54	-69.3	0	0	0	113.1	R26	R26-H30 PolarHBondContact NH1-O 2.93Å; R26-H30 WeakPolarHBondContact O-CA 3.33Å; R26-H30 PolarHBondContact O-N 2.82Å
31	R	94.9	Very high	90	Very high	112 Å²	112	74 Å²	74	42%	0.423	39%	0.388	S	S	.	.			trans	-132.9	159	179.8	72	-174.1	-179.3	175.9	-1.4	112	E25 R26 H29 L33	E25-R31 IonicContact OE1-NH2 3.69Å; E25-R31 IonicContact OE2-CZ 3.25Å; E25-R31 VanDerWaalsContact OE2-CZ 3.25Å; E25-R31 IonicContact OE2-NE 2.82Å; E25-R31 PolarHBondContact OE2-NE 2.9Å; E25-R31 IonicContact OE2-NH2 2.81Å; E25-R31 PolarHBondContact OE2-NH2 2.84Å; R26-R31 VanDerWaalsContact CA-O 3.31Å; R26-R31 WeakPolarHBondContact CA-O 3.42Å; R26-R31 PolarHBondContact N-O 3.33Å; H29-R31 HydrophobicContact CB-CG 3.86Å; H29-R31 PolarHBondContact O-N 2.88Å; H29-R31 VanDerWaalsContact O-N 3.12Å; R31-L33 HydrophobicContact CG-CD2 4.35Å
32	F	95.4	Very high	89.4	Confident	77 Å²	77	71.9 Å²	71.9	34%	0.338	38%	0.377	S	S	.	.			trans	-124.2	118	169	179.4	-99.2	0	0	0	108.1	V34 K156	F32-V34 HydrophobicContact CD1-CG2 4.04Å; F32-V34 HydrophobicContact CE1-CG2 4.26Å; F32-V34 PolarHBondContact O-N 3.45Å; F32-K156 HydrophobicContact CD1-CG 4.26Å; F32-K156 HydrophobicContact CD2-CB 4.31Å; F32-K156 HydrophobicContact CE1-CG 4.28Å; F32-K156 HydrophobicContact CE2-CB 4.27Å; F32-K156 HydrophobicContact CG-CB 4.43Å; F32-K156 HydrophobicContact CZ-CB 4.37Å
33	L	91.3	Very high	88.9	Confident	104 Å²	104	71.2 Å²	71.2	55%	0.545	37%	0.374	S	S	.	.			trans	-79.9	120.9	-177.3	-62	178.9	0	0	0	109.8	E25 R31	E25-L33 HydrophobicContact CG-CD1 4.45Å; R31-L33 HydrophobicContact CG-CD2 4.35Å
34	V	82.9	Confident	88.6	Confident	138 Å²	138	73.7 Å²	73.7	84%	0.836	40%	0.395	S	S	*	.			trans	-97.5	113.4	174	-173	0	0	0	0	107.7	F32	F32-V34 HydrophobicContact CD1-CG2 4.04Å; F32-V34 HydrophobicContact CE1-CG2 4.26Å; F32-V34 PolarHBondContact O-N 3.45Å
35	G	77.6	Confident	88.4	Confident	57 Å²	57	78 Å²	78	59%	0.588	41%	0.413	S	S	*	.	S	Bend	trans	177.1	176.6	-176.5	0	0	0	0	0	112.2	Y37	G35-Y37 PolarHBondContact O-N 3.32Å
36	P	76.3	Confident	88.4	Confident	112 Å²	112	77.7 Å²	77.7	73%	0.727	41%	0.414	S	S	*	.	S	Bend	trans	-60.8	132.7	176.7	26.5	-33	0	0	0	109.6	Q38	P36-Q38 PolarHBondContact O-N 2.86Å
37	Y	75.9	Confident	88.3	Confident	122 Å²	122	76.9 Å²	76.9	48%	0.478	42%	0.417	S	S	.	.			trans	-56.4	130.2	176.2	172.3	-104.5	0	0	0	110.5	S17 G35 N39	S17-Y37 PolarHBondContact N-OH 2.98Å; S17-Y37 VanDerWaalsContact N-OH 3.13Å; S17-Y37 VanDerWaalsContact OG-CE1 3.25Å; S17-Y37 WeakPolarHBondContact OG-CE1 3.45Å; S17-Y37 PolarHBondContact OG-OH 3.36Å; G35-Y37 PolarHBondContact O-N 3.32Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.41Å; Y37-N39 PolarHBondContact OH-OD1 3.39Å
38	Q	80.5	Confident	88.2	Confident	145 Å²	145	78.8 Å²	78.8	68%	0.678	43%	0.425	S	S	*	.			trans	-115.2	126.3	174.3	-63.6	-60.5	-59	0	0	108.3	P36 T40	P36-Q38 PolarHBondContact O-N 2.86Å; Q38-T40 PolarHBondContact O-N 3.5Å
39	N	82.6	Confident	88.2	Confident	87 Å²	87	81.1 Å²	81.1	47%	0.465	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-67.1	130	174.2	-84.6	-39.7	0	0	0	110.3	Y37 I41	Y37-N39 WeakPolarHBondContact CE1-OD1 3.41Å; Y37-N39 PolarHBondContact OH-OD1 3.39Å; N39-I41 PolarHBondContact O-N 3.13Å
40	T	80.7	Confident	88.2	Confident	27 Å²	27	77.2 Å²	77.2	17%	0.166	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-62.7	129.2	166.3	-50.9	0	0	0	0	109.2	T21 Q38 A65	T21-T40 PolarHBondContact OG1-OG1 2.89Å; Q38-T40 PolarHBondContact O-N 3.5Å; T40-A65 WeakPolarHBondContact O-CB 3.38Å
41	I	82.1	Confident	88.1	Confident	137 Å²	137	76.8 Å²	76.8	70%	0.703	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-99.1	118.6	175.2	-58.3	176.2	0	0	0	107.8	N39 A43	N39-I41 PolarHBondContact O-N 3.13Å; I41-A43 PolarHBondContact O-N 3.22Å
42	G	83.4	Confident	88.1	Confident	11 Å²	11	72 Å²	72	11%	0.113	40%	0.404	C	S	.	.	S	Bend	trans	70	-113.9	-178.4	0	0	0	0	0	112.3	A65 Y77	G42-A65 WeakPolarHBondContact O-CB 3.38Å; G42-A65 PolarHBondContact O-N 2.96Å; G42-Y77 WeakPolarHBondContact CA-OH 3.39Å
43	A	87.1	Confident	87.9	Confident	29 Å²	29	72.4 Å²	72.4	24%	0.24	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.3	173.1	0	0	0	0	0	112.1	I41 W62 D63 T64 Y77	I41-A43 PolarHBondContact O-N 3.22Å; A43-W62 HydrophobicContact CB-CE3 4.1Å; A43-D63 CarbonylContact C-O 3.51Å; A43-D63 WeakPolarHBondContact CA-O 3.48Å; A43-D63 WeakPolarHBondContact CB-O 3.48Å; A43-T64 HydrophobicContact CB-CG2 4.22Å; A43-Y77 HydrophobicContact CB-CD1 3.5Å; A43-Y77 VanDerWaalsContact CB-CD1 3.5Å; A43-Y77 HydrophobicContact CB-CD2 4.03Å; A43-Y77 HydrophobicContact CB-CE1 3.4Å; A43-Y77 HydrophobicContact CB-CE2 3.94Å; A43-Y77 HydrophobicContact CB-CG 3.83Å
44	A	91.8	Very high	87.8	Confident	52 Å²	52	75.1 Å²	75.1	43%	0.43	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.9	170.4	0	0	0	0	0	110.2	W62 D63	A44-W62 CarbonylContact O-C 3.55Å; A44-W62 WeakPolarHBondContact O-CA 3.35Å; A44-D63 HydrophobicContact CB-CB 4.4Å; A44-D63 PolarHBondContact N-O 3.04Å; A44-D63 PolarHBondContact O-N 3.37Å
45	F	93.7	Very high	88.2	Confident	103 Å²	103	72 Å²	72	45%	0.452	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.9	179.8	171.7	-100.5	0	0	0	111	V6 A47 I61 W62	V6-F45 HydrophobicContact CG2-CE2 4.31Å; V6-F45 HydrophobicContact CG2-CZ 3.75Å; F45-A47 HydrophobicContact CE1-CB 4.22Å; F45-A47 HydrophobicContact CZ-CB 4.04Å; F45-I61 WeakPolarHBondContact CA-O 3.46Å; F45-W62 HydrophobicContact CB-CD2 4.46Å; F45-W62 HydrophobicContact CB-CE3 4.44Å; F45-W62 HydrophobicContact CB-CZ3 4.48Å; F45-W62 AromaticContact CD2-CD1 3.93Å; F45-W62 HydrophobicContact CD2-CD2 4.09Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 HydrophobicContact CD2-CG 4.29Å; F45-W62 AromaticContact CD2-CZ2 3.97Å; F45-W62 HydrophobicContact CD2-CZ2 3.97Å; F45-W62 AromaticContact CD2-NE1 3.48Å; F45-W62 AromaticContact CE2-NE1 3.79Å; F45-W62 HydrophobicContact CG-CZ2 4.41Å
46	V	95.9	Very high	88.9	Confident	36 Å²	36	73.4 Å²	73.4	22%	0.218	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.2	171.7	62.5	0	0	0	0	110.7	V24 V28 I61	V24-V46 HydrophobicContact CG1-CG1 3.76Å; V28-V46 HydrophobicContact CG1-CG2 3.89Å; V28-V46 HydrophobicContact CG2-CG1 3.9Å; V28-V46 HydrophobicContact CG2-CG2 3.99Å; V46-I61 HydrophobicContact CG1-CB 3.83Å; V46-I61 HydrophobicContact CG1-CD1 4.47Å; V46-I61 HydrophobicContact CG1-CG2 4.47Å; V46-I61 PolarHBondContact N-O 3.46Å; V46-I61 PolarHBondContact O-N 3.35Å
47	A	96.4	Very high	89.8	Confident	30 Å²	30	68.5 Å²	68.5	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.7	172.7	0	0	0	0	0	109.6	M4 F45 T58 L59	M4-A47 HydrophobicContact SD-CB 3.6Å; M4-A47 VanDerWaalsContact SD-CB 3.6Å; F45-A47 HydrophobicContact CE1-CB 4.22Å; F45-A47 HydrophobicContact CZ-CB 4.04Å; A47-T58 HydrophobicContact CB-CG2 4.1Å; A47-L59 CarbonylContact C-O 3.49Å; A47-L59 WeakPolarHBondContact CA-O 3.4Å
48	K	95.8	Very high	90.8	Very high	48 Å²	48	63.4 Å²	63.4	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113.3	179.7	-176.2	74.1	169.8	-166.6	0	109.6	Y27 V28 L59	Y27-K48 HydrophobicContact CE1-CB 4.13Å; Y27-K48 HydrophobicContact CE1-CG 3.7Å; V28-K48 PolarHBondContact O-NZ 2.96Å; V28-K48 VanDerWaalsContact O-NZ 3.1Å; K48-L59 PolarHBondContact N-O 3.25Å; K48-L59 PolarHBondContact O-N 3.03Å
49	P	96.2	Very high	91.6	Very high	66 Å²	66	56.5 Å²	56.5	43%	0.429	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.3	169.3	29.1	-32.7	0	0	0	110.1	V56 I57	P49-V56 HydrophobicContact CB-CG1 3.87Å; P49-I57 CarbonylContact C-O 3.57Å; P49-I57 WeakPolarHBondContact CA-O 3.42Å
50	I	95.9	Very high	92.3	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.1	178.8	-171.1	175.4	0	0	0	109.3	Y27 V52 V56 I57 L59 Q166 A169	Y27-I50 WeakPolarHBondContact OH-CD1 3.27Å; I50-V52 HydrophobicContact CG2-CG2 4.48Å; I50-V56 WeakPolarHBondContact O-CA 3.4Å; I50-I57 HydrophobicContact CG2-CB 4.13Å; I50-I57 VanDerWaalsContact CG2-O 3.28Å; I50-I57 WeakPolarHBondContact CG2-O 3.37Å; I50-I57 PolarHBondContact N-O 3.39Å; I50-I57 PolarHBondContact O-N 3.48Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I50-L59 HydrophobicContact CG2-CG 4.03Å; I50-Q166 HydrophobicContact CD1-CB 4.29Å; I50-A169 HydrophobicContact CD1-CB 3.92Å; I50-A169 HydrophobicContact CG2-CB 3.5Å
51	Q	95.1	Very high	93.1	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.6	177.1	-173.7	71.5	35.5	0	0	109.2	A53 T55	Q51-A53 PolarHBondContact NE2-O 3.41Å; Q51-T55 PolarHBondContact NE2-O 3.44Å
52	V	94.1	Very high	93.8	Very high	10 Å²	10	48 Å²	48	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	108.7	173.9	178.2	0	0	0	0	108.1	I50 D54 T55 I57 A169 E170	I50-V52 HydrophobicContact CG2-CG2 4.48Å; V52-D54 PolarHBondContact O-N 3.03Å; V52-D54 VanDerWaalsContact O-N 3.14Å; V52-T55 PolarHBondContact N-O 2.85Å; V52-T55 PolarHBondContact O-N 3.5Å; V52-T55 PolarHBondContact O-OG1 2.61Å; V52-T55 VanDerWaalsContact O-OG1 3.09Å; V52-I57 HydrophobicContact CB-CD1 3.94Å; V52-I57 HydrophobicContact CG1-CD1 4.4Å; V52-I57 HydrophobicContact CG2-CD1 3.83Å; V52-I57 HydrophobicContact CG2-CG1 4.43Å; V52-A169 HydrophobicContact CG2-CB 3.58Å; V52-E170 HydrophobicContact CG1-CG 3.89Å
53	A	90.8	Very high	94.3	Very high	87 Å²	87	48 Å²	48	72%	0.719	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-117.4	-168.7	0	0	0	0	0	111	Q51	Q51-A53 PolarHBondContact NE2-O 3.41Å
54	D	89.2	Confident	94.5	Very high	161 Å²	161	46.7 Å²	46.7	86%	0.861	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	4.5	-179.5	-61.4	-41.4	0	0	0	113.8	V52	V52-D54 PolarHBondContact O-N 3.03Å; V52-D54 VanDerWaalsContact O-N 3.14Å
55	T	90.8	Very high	94.2	Very high	72 Å²	72	44.5 Å²	44.5	44%	0.442	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.9	179.3	66	0	0	0	0	111.9	Q51 V52	Q51-T55 PolarHBondContact NE2-O 3.44Å; V52-T55 PolarHBondContact N-O 2.85Å; V52-T55 PolarHBondContact O-N 3.5Å; V52-T55 PolarHBondContact O-OG1 2.61Å; V52-T55 VanDerWaalsContact O-OG1 3.09Å
56	V	93.4	Very high	93.3	Very high	86 Å²	86	40 Å²	40	52%	0.521	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124	169.7	178.1	0	0	0	0	107.8	P49 I50	P49-V56 HydrophobicContact CB-CG1 3.87Å; I50-V56 WeakPolarHBondContact O-CA 3.4Å
57	I	95	Very high	92.3	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.4	175.7	-60.9	176.1	0	0	0	107.5	D7 P49 I50 V52 L59 A169 F172	D7-I57 HydrophobicContact CB-CG2 3.98Å; P49-I57 CarbonylContact C-O 3.57Å; P49-I57 WeakPolarHBondContact CA-O 3.42Å; I50-I57 HydrophobicContact CG2-CB 4.13Å; I50-I57 VanDerWaalsContact CG2-O 3.28Å; I50-I57 WeakPolarHBondContact CG2-O 3.37Å; I50-I57 PolarHBondContact N-O 3.39Å; I50-I57 PolarHBondContact O-N 3.48Å; V52-I57 HydrophobicContact CB-CD1 3.94Å; V52-I57 HydrophobicContact CG1-CD1 4.4Å; V52-I57 HydrophobicContact CG2-CD1 3.83Å; V52-I57 HydrophobicContact CG2-CG1 4.43Å; I57-L59 HydrophobicContact CG2-CD2 4.11Å; I57-A169 WeakPolarHBondContact CD1-O 3.35Å; I57-F172 HydrophobicContact CD1-CD1 4.26Å; I57-F172 HydrophobicContact CG2-CD1 3.92Å; I57-F172 HydrophobicContact CG2-CE1 4.25Å
58	T	96.5	Very high	91	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109.9	174.1	-55.6	0	0	0	0	109.7	M4 R5 D7 A8 A47	M4-T58 HydrophobicContact CG-CG2 4.04Å; M4-T58 HydrophobicContact SD-CG2 3.77Å; R5-T58 VanDerWaalsContact O-CB 3.29Å; R5-T58 WeakPolarHBondContact O-CB 3.49Å; R5-T58 WeakPolarHBondContact O-CG2 3.29Å; D7-T58 PolarHBondContact N-O 3Å; D7-T58 PolarHBondContact OD2-N 2.8Å; A8-T58 PolarHBondContact N-O 3.26Å; A47-T58 HydrophobicContact CB-CG2 4.1Å
59	L	97.4	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.3	171.6	-57.8	-174.1	0	0	0	109.5	A8 V10 A47 K48 I50 I57 I61 F165 V168 A169	A8-L59 HydrophobicContact CB-CD2 3.88Å; V10-L59 HydrophobicContact CG2-CB 4.32Å; V10-L59 HydrophobicContact CG2-CD2 4.18Å; A47-L59 CarbonylContact C-O 3.49Å; A47-L59 WeakPolarHBondContact CA-O 3.4Å; K48-L59 PolarHBondContact N-O 3.25Å; K48-L59 PolarHBondContact O-N 3.03Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I50-L59 HydrophobicContact CG2-CG 4.03Å; I57-L59 HydrophobicContact CG2-CD2 4.11Å; L59-I61 HydrophobicContact CB-CG1 4.18Å; L59-F165 HydrophobicContact CD1-CB 4.43Å; L59-F165 HydrophobicContact CD1-CD1 4.33Å; L59-V168 HydrophobicContact CD2-CG1 4.46Å; L59-A169 HydrophobicContact CD1-CB 4.4Å; L59-A169 HydrophobicContact CD2-CB 4.2Å
60	G	97.6	Very high	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	98.5	169.6	0	0	0	0	0	109.7	A8 V10	A8-G60 PolarHBondContact O-N 2.89Å; V10-G60 PolarHBondContact N-O 3.13Å
61	I	97.6	Very high	87.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125	-172.3	-54.8	168	0	0	0	109.6	V10 M12 V24 Y27 F45 V46 L59 F165	V10-I61 HydrophobicContact CB-CG1 4.33Å; V10-I61 CarbonylContact O-C 3.49Å; V10-I61 WeakPolarHBondContact O-CA 3.49Å; M12-I61 HydrophobicContact CG-CG2 3.99Å; M12-I61 HydrophobicContact SD-CG2 4.14Å; V24-I61 HydrophobicContact CG1-CG2 4.31Å; V24-I61 HydrophobicContact CG2-CG2 3.83Å; Y27-I61 HydrophobicContact CD1-CD1 3.72Å; Y27-I61 HydrophobicContact CE1-CD1 3.71Å; F45-I61 WeakPolarHBondContact CA-O 3.46Å; V46-I61 HydrophobicContact CG1-CB 3.83Å; V46-I61 HydrophobicContact CG1-CD1 4.47Å; V46-I61 HydrophobicContact CG1-CG2 4.47Å; V46-I61 PolarHBondContact N-O 3.46Å; V46-I61 PolarHBondContact O-N 3.35Å; L59-I61 HydrophobicContact CB-CG1 4.18Å; I61-F165 HydrophobicContact CD1-CD1 4.08Å; I61-F165 HydrophobicContact CD1-CE1 3.8Å; I61-F165 HydrophobicContact CD1-CZ 4.46Å; I61-F165 HydrophobicContact CG1-CE1 4.35Å
62	W	95.6	Very high	86.1	Confident	73 Å²	73	54.8 Å²	54.8	28%	0.277	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.4	176.3	-70	78.5	0	0	0	109.7	V10 V11 M12 A43 A44 F45 T64 Y77	V10-W62 PolarHBondContact O-N 3.43Å; V11-W62 HydrophobicContact CG2-CB 4.36Å; M12-W62 WeakPolarHBondContact CB-O 3.39Å; M12-W62 PolarHBondContact N-O 2.95Å; A43-W62 HydrophobicContact CB-CE3 4.1Å; A44-W62 CarbonylContact O-C 3.55Å; A44-W62 WeakPolarHBondContact O-CA 3.35Å; F45-W62 HydrophobicContact CB-CD2 4.46Å; F45-W62 HydrophobicContact CB-CE3 4.44Å; F45-W62 HydrophobicContact CB-CZ3 4.48Å; F45-W62 AromaticContact CD2-CD1 3.93Å; F45-W62 HydrophobicContact CD2-CD2 4.09Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 HydrophobicContact CD2-CG 4.29Å; F45-W62 AromaticContact CD2-CZ2 3.97Å; F45-W62 HydrophobicContact CD2-CZ2 3.97Å; F45-W62 AromaticContact CD2-NE1 3.48Å; F45-W62 AromaticContact CE2-NE1 3.79Å; F45-W62 HydrophobicContact CG-CZ2 4.41Å; W62-T64 PolarHBondContact O-N 3.4Å; W62-Y77 AromaticContact CE3-CD1 3.99Å; W62-Y77 HydrophobicContact CE3-CD1 3.99Å; W62-Y77 HydrophobicContact CZ3-CD1 4.1Å; W62-Y77 HydrophobicContact CZ3-CE1 4.42Å
63	D	94.4	Very high	85.3	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.6	170.6	-178.8	37.2	0	0	0	109.6	K20 T21 V24 A43 A44	K20-D63 WeakPolarHBondContact CB-OD1 3.31Å; T21-D63 WeakPolarHBondContact CA-OD2 3.45Å; T21-D63 VanDerWaalsContact CB-OD2 3.27Å; T21-D63 WeakPolarHBondContact CB-OD2 3.38Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.17Å; T21-D63 PolarHBondContact N-OD1 2.84Å; T21-D63 PolarHBondContact OG1-OD1 2.94Å; T21-D63 PolarHBondContact OG1-OD2 3.4Å; V24-D63 HydrophobicContact CG2-CB 4.27Å; A43-D63 CarbonylContact C-O 3.51Å; A43-D63 WeakPolarHBondContact CA-O 3.48Å; A43-D63 WeakPolarHBondContact CB-O 3.48Å; A44-D63 HydrophobicContact CB-CB 4.4Å; A44-D63 PolarHBondContact N-O 3.04Å; A44-D63 PolarHBondContact O-N 3.37Å
64	T	90.6	Very high	84.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.7	-175.6	71.9	0	0	0	0	112.5	V11 M12 L13 K20 A43 W62 G66 Y77	V11-T64 HydrophobicContact CG2-CG2 3.72Å; M12-T64 WeakPolarHBondContact O-CB 3.49Å; M12-T64 WeakPolarHBondContact O-CG2 3.36Å; M12-T64 PolarHBondContact O-OG1 3.13Å; L13-T64 HydrophobicContact CD2-CG2 4.4Å; K20-T64 WeakPolarHBondContact CE-O 3.49Å; A43-T64 HydrophobicContact CB-CG2 4.22Å; W62-T64 PolarHBondContact O-N 3.4Å; T64-G66 PolarHBondContact O-N 3.4Å; T64-Y77 HydrophobicContact CG2-CD2 4.14Å; T64-Y77 HydrophobicContact CG2-CG 4.09Å
65	A	85.6	Confident	84.2	Confident	6 Å²	6	54.1 Å²	54.1	5%	0.05	27%	0.265	C	S	.	.			trans	-59.1	128.9	167.6	0	0	0	0	0	110.3	T40 G42 S67 Y70	T40-A65 WeakPolarHBondContact O-CB 3.38Å; G42-A65 WeakPolarHBondContact O-CB 3.38Å; G42-A65 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-Y70 HydrophobicContact CB-CD2 3.84Å; A65-Y70 HydrophobicContact CB-CG 4.35Å
66	G	74.8	Confident	84	Confident	9 Å²	9	56.3 Å²	56.3	9%	0.093	27%	0.273	C	S	.	.			trans	-88.7	0.5	177	0	0	0	0	0	114.8	G14 K15 E16 K20 T64	G14-G66 WeakPolarHBondContact O-CA 3.11Å; K15-G66 CarbonylContact C-O 3.5Å; E16-G66 PolarHBondContact N-O 2.79Å; K20-G66 VanDerWaalsContact NZ-CA 3.3Å; T64-G66 PolarHBondContact O-N 3.4Å
67	S	76.3	Confident	83.8	Confident	19 Å²	19	54 Å²	54	13%	0.133	26%	0.255	C	S	.	.			trans	-78.9	130.8	-177.2	-159.8	0	0	0	0	109.9	E16 A65 R69 Y70	E16-S67 VanDerWaalsContact OE2-CB 3.24Å; E16-S67 WeakPolarHBondContact OE2-CB 3.49Å; E16-S67 PolarHBondContact OE2-OG 3.23Å; A65-S67 VanDerWaalsContact C-N 3.34Å; S67-R69 PolarHBondContact O-N 3.21Å; S67-R69 VanDerWaalsContact O-N 3.08Å; S67-Y70 PolarHBondContact O-N 3.23Å
68	E	68.6	Low	83.6	Confident	123 Å²	123	53.7 Å²	53.7	58%	0.575	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-58.6	-25	-179.2	-62.2	178.9	165.6	0	0	112.5	Y70 E71 R98	E68-Y70 PolarHBondContact O-N 3.36Å; E68-Y70 VanDerWaalsContact O-N 3.09Å; E68-E71 WeakPolarHBondContact O-CB 3.08Å; E68-E71 PolarHBondContact O-N 2.84Å; E68-R98 IonicContact OE1-NE 3.61Å
69	R	67	Low	83.4	Confident	231 Å²	231	62.1 Å²	62.1	87%	0.872	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-58.8	-23	174.2	-56.9	-174.4	-162.8	-162	4.1	113.5	S67	S67-R69 PolarHBondContact O-N 3.21Å; S67-R69 VanDerWaalsContact O-N 3.08Å
70	Y	69.9	Low	83.1	Confident	83 Å²	83	64.3 Å²	64.3	33%	0.325	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-105.6	6.6	178.9	-59.2	-66.8	0	0	0	113.2	A65 S67 E68 A72 M73 S74	A65-Y70 HydrophobicContact CB-CD2 3.84Å; A65-Y70 HydrophobicContact CB-CG 4.35Å; S67-Y70 PolarHBondContact O-N 3.23Å; E68-Y70 PolarHBondContact O-N 3.36Å; E68-Y70 VanDerWaalsContact O-N 3.09Å; Y70-A72 VanDerWaalsContact C-N 3.28Å; Y70-A72 PolarHBondContact O-N 3.31Å; Y70-M73 HydrophobicContact CD1-SD 4.1Å; Y70-M73 WeakPolarHBondContact O-CA 3.39Å; Y70-M73 WeakPolarHBondContact O-CB 3.33Å; Y70-M73 PolarHBondContact O-N 2.98Å; Y70-S74 PolarHBondContact O-N 3.15Å
71	E	69.6	Low	83	Confident	61 Å²	61	64.5 Å²	64.5	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-38.3	-176.3	174.8	163.8	-153.1	0	0	113.4	E68 M73 S74 R98 F101 W102	E68-E71 WeakPolarHBondContact O-CB 3.08Å; E68-E71 PolarHBondContact O-N 2.84Å; E71-M73 PolarHBondContact O-N 2.87Å; E71-M73 VanDerWaalsContact O-N 3.15Å; E71-S74 VanDerWaalsContact O-CB 3.29Å; E71-S74 WeakPolarHBondContact O-CB 3.42Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-S74 PolarHBondContact O-OG 3.21Å; E71-R98 IonicContact OE1-CZ 3.59Å; E71-R98 IonicContact OE1-NH1 3.69Å; E71-R98 PolarHBondContact OE1-NH1 2.95Å; E71-R98 VanDerWaalsContact OE1-NH1 3.1Å; E71-R98 IonicContact OE1-NH2 2.75Å; E71-R98 PolarHBondContact OE1-NH2 2.62Å; E71-R98 IonicContact OE2-CZ 3.78Å; E71-R98 IonicContact OE2-NH1 2.78Å; E71-R98 IonicContact OE2-NH2 3.41Å; E71-R98 PolarHBondContact OE2-NH2 3.22Å; E71-F101 WeakPolarHBondContact OE1-CE1 3.36Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.26Å; E71-W102 HydrophobicContact CG-CH2 4.09Å
72	A	73.4	Confident	82.9	Confident	93 Å²	93	70.3 Å²	70.3	77%	0.769	33%	0.329	S	S	*	.	H	α-helix	trans	-60.8	-24.3	175.3	0	0	0	0	0	112.9	Y70	Y70-A72 VanDerWaalsContact C-N 3.28Å; Y70-A72 PolarHBondContact O-N 3.31Å
73	M	76.3	Confident	83	Confident	80 Å²	80	67.1 Å²	67.1	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-87.6	-18.4	175.8	-57.6	-178.2	71.6	0	0	112.7	Y70 E71 R75 I76 Y77	Y70-M73 HydrophobicContact CD1-SD 4.1Å; Y70-M73 WeakPolarHBondContact O-CA 3.39Å; Y70-M73 WeakPolarHBondContact O-CB 3.33Å; Y70-M73 PolarHBondContact O-N 2.98Å; E71-M73 PolarHBondContact O-N 2.87Å; E71-M73 VanDerWaalsContact O-N 3.15Å; M73-R75 PolarHBondContact O-N 2.88Å; M73-I76 WeakPolarHBondContact O-CB 3.31Å; M73-I76 PolarHBondContact O-N 2.86Å; M73-Y77 HydrophobicContact CB-CE2 4.25Å
74	S	74.8	Confident	83.2	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.028	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-33.6	-175.5	-61.2	0	0	0	0	113.3	Y70 E71 I76 Y77 Y78 W102	Y70-S74 PolarHBondContact O-N 3.15Å; E71-S74 VanDerWaalsContact O-CB 3.29Å; E71-S74 WeakPolarHBondContact O-CB 3.42Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-S74 PolarHBondContact O-OG 3.21Å; S74-I76 PolarHBondContact O-N 3.03Å; S74-Y77 PolarHBondContact O-N 3.35Å; S74-Y78 WeakPolarHBondContact O-CD1 2.94Å; S74-Y78 PolarHBondContact O-N 2.91Å; S74-Y78 VanDerWaalsContact O-N 3.13Å; S74-W102 VanDerWaalsContact CB-CH2 3.5Å; S74-W102 WeakPolarHBondContact OG-CH2 3.42Å
75	R	82.9	Confident	83.6	Confident	160 Å²	160	66.6 Å²	66.6	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-52.1	-38.6	173.5	-96.3	-176	-119.9	-172.8	3.2	113.6	M73 Y77 Y78 R79 E105	M73-R75 PolarHBondContact O-N 2.88Å; R75-Y77 PolarHBondContact O-N 2.78Å; R75-Y78 VanDerWaalsContact CA-CE1 3.48Å; R75-Y78 HydrophobicContact CB-CE1 4.38Å; R75-Y78 HydrophobicContact CG-CE1 3.97Å; R75-Y78 HydrophobicContact CG-CE2 4.09Å; R75-Y78 VanDerWaalsContact CG-CZ 3.42Å; R75-Y78 WeakPolarHBondContact CG-OH 3.36Å; R75-R79 WeakPolarHBondContact O-CB 3.3Å; R75-R79 PolarHBondContact O-N 3.48Å; R75-E105 IonicContact NE-OE1 3.94Å
76	I	87.1	Confident	84.2	Confident	119 Å²	119	66.3 Å²	66.3	61%	0.61	31%	0.313	S	S	*	.	H	α-helix	trans	-67.5	-32.5	-178.7	-55.7	170.6	0	0	0	110.1	M73 S74	M73-I76 WeakPolarHBondContact O-CB 3.31Å; M73-I76 PolarHBondContact O-N 2.86Å; S74-I76 PolarHBondContact O-N 3.03Å
77	Y	88.3	Confident	85.3	Confident	37 Å²	37	65.9 Å²	65.9	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-83.8	-40.7	-175.5	-58.4	-53.7	0	0	0	113.4	K9 G42 A43 W62 T64 M73 S74 R75	K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 2.84Å; G42-Y77 WeakPolarHBondContact CA-OH 3.39Å; A43-Y77 HydrophobicContact CB-CD1 3.5Å; A43-Y77 VanDerWaalsContact CB-CD1 3.5Å; A43-Y77 HydrophobicContact CB-CD2 4.03Å; A43-Y77 HydrophobicContact CB-CE1 3.4Å; A43-Y77 HydrophobicContact CB-CE2 3.94Å; A43-Y77 HydrophobicContact CB-CG 3.83Å; W62-Y77 AromaticContact CE3-CD1 3.99Å; W62-Y77 HydrophobicContact CE3-CD1 3.99Å; W62-Y77 HydrophobicContact CZ3-CD1 4.1Å; W62-Y77 HydrophobicContact CZ3-CE1 4.42Å; T64-Y77 HydrophobicContact CG2-CD2 4.14Å; T64-Y77 HydrophobicContact CG2-CG 4.09Å; M73-Y77 HydrophobicContact CB-CE2 4.25Å; S74-Y77 PolarHBondContact O-N 3.35Å; R75-Y77 PolarHBondContact O-N 2.78Å
78	Y	90.9	Very high	86.4	Confident	3 Å²	3	65 Å²	65	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-82.4	-13	178.6	64.4	-114.8	0	0	0	113.9	L13 S74 R75 G80 A81 W102 E105 L106 C109 E110	L13-Y78 HydrophobicContact CD1-CD1 4.47Å; S74-Y78 WeakPolarHBondContact O-CD1 2.94Å; S74-Y78 PolarHBondContact O-N 2.91Å; S74-Y78 VanDerWaalsContact O-N 3.13Å; R75-Y78 VanDerWaalsContact CA-CE1 3.48Å; R75-Y78 HydrophobicContact CB-CE1 4.38Å; R75-Y78 HydrophobicContact CG-CE1 3.97Å; R75-Y78 HydrophobicContact CG-CE2 4.09Å; R75-Y78 VanDerWaalsContact CG-CZ 3.42Å; R75-Y78 WeakPolarHBondContact CG-OH 3.36Å; Y78-G80 PolarHBondContact O-N 3.05Å; Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 3.47Å; Y78-W102 HydrophobicContact CE1-CZ3 4.3Å; Y78-E105 HydrophobicContact CE1-CG 4.23Å; Y78-E105 WeakPolarHBondContact OH-CG 3.24Å; Y78-E105 PolarHBondContact OH-OE1 2.88Å; Y78-L106 HydrophobicContact CD2-CD2 4.21Å; Y78-L106 HydrophobicContact CG-CD2 4.05Å; Y78-C109 HydrophobicContact CE2-CB 3.79Å; Y78-E110 HydrophobicContact CD2-CG 3.67Å; Y78-E110 HydrophobicContact CE2-CG 4.11Å
79	R	92.6	Very high	87.8	Confident	193 Å²	193	59.7 Å²	59.7	73%	0.728	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	125.5	-180	-174.6	177.6	176.1	-175.3	-0.6	112.5	K9 R75 A81 E110	K9-R79 PolarHBondContact NZ-O 2.78Å; R75-R79 WeakPolarHBondContact O-CB 3.3Å; R75-R79 PolarHBondContact O-N 3.48Å; R79-A81 PolarHBondContact O-N 2.99Å; R79-E110 VanDerWaalsContact CA-OE1 3.26Å; R79-E110 WeakPolarHBondContact CA-OE1 3.29Å
80	G	92.1	Very high	89.3	Confident	46 Å²	46	48.7 Å²	48.7	47%	0.474	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.4	-178.7	0	0	0	0	0	113.8	Y78 E110	Y78-G80 PolarHBondContact O-N 3.05Å; G80-E110 WeakPolarHBondContact CA-OE2 3.36Å; G80-E110 PolarHBondContact N-OE1 3.03Å; G80-E110 PolarHBondContact N-OE2 3.07Å
81	A	95.4	Very high	90.6	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	23%	0.23	C	C	.	.			trans	-67.3	138.1	171.2	0	0	0	0	0	109.8	K9 V11 Y78 R79	K9-A81 HydrophobicContact CG-CB 4.5Å; V11-A81 HydrophobicContact CB-CB 4.33Å; V11-A81 HydrophobicContact CG1-CB 3.85Å; Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 3.47Å; R79-A81 PolarHBondContact O-N 2.99Å
82	R	95.6	Very high	92	Very high	122 Å²	122	45.1 Å²	45.1	46%	0.46	23%	0.226	S	C	.	.	S	Bend	trans	-90.5	-25.9	173.5	-65.7	-61.8	-167.7	166.5	2.5	111.6	K9 K114 F172	K9-R82 PolarHBondContact O-N 3.1Å; R82-K114 PolarHBondContact O-N 3.27Å; R82-F172 HydrophobicContact CB-CD2 4.19Å; R82-F172 HydrophobicContact CB-CE2 4.38Å; R82-F172 HydrophobicContact CG-CD2 4.39Å; R82-F172 HydrophobicContact CG-CE2 4.08Å
83	A	97.8	Very high	93.1	Very high	6 Å²	6	43.2 Å²	43.2	5%	0.05	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151	173.3	0	0	0	0	0	111.2	K9 V10 V11 K114 Y116 V168	K9-A83 PolarHBondContact O-N 3.26Å; V10-A83 VanDerWaalsContact CA-O 3.31Å; V10-A83 WeakPolarHBondContact CA-O 3.41Å; V10-A83 HydrophobicContact CG1-CB 4.43Å; V10-A83 HydrophobicContact CG2-CB 4.36Å; V11-A83 PolarHBondContact N-O 2.98Å; A83-K114 CarbonylContact C-O 3.56Å; A83-K114 WeakPolarHBondContact CA-O 3.17Å; A83-Y116 HydrophobicContact CB-CD2 4.45Å; A83-Y116 HydrophobicContact CB-CE2 3.98Å; A83-V168 HydrophobicContact CB-CG1 3.71Å
84	A	98.1	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.9	172.2	0	0	0	0	0	110.5	V11 V86 L106 C113 K114 Y116	V11-A84 HydrophobicContact CG1-CB 3.68Å; V11-A84 CarbonylContact O-C 3.57Å; V11-A84 WeakPolarHBondContact O-CA 3.28Å; A84-V86 HydrophobicContact CB-CG2 4.45Å; A84-L106 HydrophobicContact CB-CD1 3.36Å; A84-L106 HydrophobicContact CB-CD2 4.37Å; A84-C113 PolarHBondContact N-SG 3.42Å; A84-K114 PolarHBondContact N-O 3.42Å; A84-Y116 PolarHBondContact O-N 3.09Å
85	V	98.6	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.2	169.4	-177.2	0	0	0	0	107.8	V10 V11 M12 L13 L23 Y116 C118 L164 V168	V10-V85 HydrophobicContact CG1-CG2 4.1Å; V11-V85 PolarHBondContact O-N 2.81Å; M12-V85 WeakPolarHBondContact CA-O 3.4Å; M12-V85 HydrophobicContact CE-CB 3.99Å; M12-V85 HydrophobicContact CE-CG1 3.9Å; M12-V85 HydrophobicContact SD-CB 3.79Å; M12-V85 HydrophobicContact SD-CG1 4.36Å; M12-V85 HydrophobicContact SD-CG2 4.19Å; L13-V85 PolarHBondContact N-O 2.9Å; L23-V85 HydrophobicContact CD2-CG1 4.5Å; V85-Y116 CarbonylContact C-O 3.43Å; V85-Y116 WeakPolarHBondContact CA-O 3.17Å; V85-C118 HydrophobicContact CG1-CB 3.84Å; V85-L164 HydrophobicContact CG1-CD2 3.88Å; V85-V168 HydrophobicContact CG2-CG2 4.5Å
86	V	98.4	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103	-178.4	-172.1	0	0	0	0	109	L13 A84 A99 W102 V103 L106 I115 Y116 C118	L13-V86 HydrophobicContact CB-CG2 4.49Å; L13-V86 CarbonylContact O-C 3.51Å; L13-V86 WeakPolarHBondContact O-CA 3.38Å; A84-V86 HydrophobicContact CB-CG2 4.45Å; V86-A99 HydrophobicContact CG1-CB 3.72Å; V86-W102 HydrophobicContact CG1-CB 3.85Å; V86-V103 HydrophobicContact CB-CG2 4.38Å; V86-V103 HydrophobicContact CG1-CG2 4.27Å; V86-V103 HydrophobicContact CG2-CG2 4.23Å; V86-L106 HydrophobicContact CG2-CD1 3.94Å; V86-I115 HydrophobicContact CG2-CG2 4.02Å; V86-Y116 PolarHBondContact N-O 3.46Å; V86-C118 PolarHBondContact O-N 3.42Å
87	C	98.6	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.1	-173.6	-59.4	0	0	0	0	112.4	L13 G14 V18 K20 C118 T120	L13-C87 PolarHBondContact O-N 2.82Å; G14-C87 WeakPolarHBondContact CA-O 3.3Å; V18-C87 HydrophobicContact CG2-CB 3.78Å; K20-C87 HydrophobicContact CG-CB 3.87Å; C87-C118 CarbonylContact C-O 3.49Å; C87-C118 VanDerWaalsContact CA-O 3.27Å; C87-C118 WeakPolarHBondContact CA-O 3.38Å; C87-T120 HydrophobicContact CB-CG2 4.1Å
88	Y	98.8	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.3	163.6	73.1	-81.1	0	0	0	109.9	L90 S95 F96 A99 V117 C118 G119 T120 V134 A139 Y150	Y88-L90 HydrophobicContact CE2-CD2 3.85Å; Y88-S95 WeakPolarHBondContact CB-OG 3.32Å; Y88-F96 AromaticContact CD1-CD2 3.78Å; Y88-F96 HydrophobicContact CD1-CD2 3.78Å; Y88-F96 HydrophobicContact CD1-CE2 4.43Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CG 4.18Å; Y88-F96 AromaticContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CE2 4.08Å; Y88-F96 HydrophobicContact CE2-CB 4.2Å; Y88-F96 AromaticContact CE2-CD2 3.87Å; Y88-F96 HydrophobicContact CE2-CD2 3.87Å; Y88-F96 HydrophobicContact CE2-CG 4.26Å; Y88-F96 HydrophobicContact CG-CB 4.08Å; Y88-F96 AromaticContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CG 4.43Å; Y88-F96 AromaticContact CZ-CD2 3.8Å; Y88-A99 HydrophobicContact CD1-CB 4.45Å; Y88-V117 HydrophobicContact CD1-CG1 4.2Å; Y88-V117 HydrophobicContact CE1-CG1 3.86Å; Y88-C118 WeakPolarHBondContact CD1-O 3.42Å; Y88-C118 PolarHBondContact N-O 3.1Å; Y88-G119 VanDerWaalsContact CE1-CA 3.47Å; Y88-T120 WeakPolarHBondContact O-CB 3.32Å; Y88-T120 PolarHBondContact O-N 3.24Å; Y88-T120 PolarHBondContact O-OG1 2.8Å; Y88-V134 HydrophobicContact CD2-CG2 4.29Å; Y88-V134 HydrophobicContact CE2-CB 3.94Å; Y88-V134 HydrophobicContact CE2-CG1 3.91Å; Y88-V134 HydrophobicContact CE2-CG2 3.93Å; Y88-A139 WeakPolarHBondContact OH-CB 3.42Å; Y88-Y150 HydrophobicContact CE1-CE2 4.06Å; Y88-Y150 WeakPolarHBondContact OH-CE2 3.5Å; Y88-Y150 PolarHBondContact OH-OH 3.03Å
89	D	98.3	Very high	97.1	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.2	177.1	178.9	-12.1	0	0	0	109.3	V18 T91 D92 S95 K121	V18-D89 HydrophobicContact CB-CB 4.36Å; V18-D89 HydrophobicContact CG1-CB 4.33Å; D89-T91 PolarHBondContact O-N 3.36Å; D89-T91 WeakPolarHBondContact OD1-CB 3.35Å; D89-T91 PolarHBondContact OD1-N 3.41Å; D89-T91 PolarHBondContact OD1-OG1 2.94Å; D89-T91 PolarHBondContact OD2-OG1 3.41Å; D89-D92 HydrophobicContact CB-CB 4.12Å; D89-D92 PolarHBondContact O-N 2.93Å; D89-S95 PolarHBondContact N-OG 3.41Å; D89-S95 PolarHBondContact O-OG 3.31Å; D89-K121 VanDerWaalsContact OD2-CD 3.32Å; D89-K121 WeakPolarHBondContact OD2-CD 3.12Å; D89-K121 WeakPolarHBondContact OD2-CE 3.45Å; D89-K121 IonicContact OD2-NZ 3.87Å; D89-K121 PolarHBondContact OD2-NZ 3.42Å
90	L	98.4	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.2	179.7	-68	169.1	0	0	0	113.3	Y88 T120 I125 Q133 E152	Y88-L90 HydrophobicContact CE2-CD2 3.85Å; L90-T120 WeakPolarHBondContact CD1-O 3.35Å; L90-T120 VanDerWaalsContact CG-O 3.32Å; L90-T120 WeakPolarHBondContact CG-O 3.31Å; L90-T120 PolarHBondContact N-O 3.29Å; L90-I125 HydrophobicContact CB-CD1 4.36Å; L90-I125 HydrophobicContact CB-CG1 3.89Å; L90-I125 HydrophobicContact CD1-CG1 4.35Å; L90-Q133 PolarHBondContact O-N 2.96Å; L90-E152 HydrophobicContact CD1-CB 4.28Å; L90-E152 HydrophobicContact CD1-CG 4.12Å; L90-E152 HydrophobicContact CD2-CG 4.09Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.33Å
91	T	97.9	Very high	97.5	Very high	30 Å²	30	30.6 Å²	30.6	18%	0.184	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.1	178.1	69.6	0	0	0	0	114.2	D89 L124 I125 L131 Q133	D89-T91 PolarHBondContact O-N 3.36Å; D89-T91 WeakPolarHBondContact OD1-CB 3.35Å; D89-T91 PolarHBondContact OD1-N 3.41Å; D89-T91 PolarHBondContact OD1-OG1 2.94Å; D89-T91 PolarHBondContact OD2-OG1 3.41Å; T91-L124 HydrophobicContact CG2-CB 4.07Å; T91-L124 HydrophobicContact CG2-CD1 4.1Å; T91-I125 HydrophobicContact CG2-CD1 3.59Å; T91-L131 WeakPolarHBondContact CA-O 3.19Å; T91-L131 HydrophobicContact CG2-CB 4.04Å; T91-Q133 WeakPolarHBondContact O-CG 3.48Å; T91-Q133 PolarHBondContact O-NE2 3.14Å; T91-Q133 PolarHBondContact O-OE1 3.42Å
92	D	97.9	Very high	97.5	Very high	39 Å²	39	30.9 Å²	30.9	21%	0.209	15%	0.149	C	C	.	.			trans	-132.9	99.2	-179.4	178.1	4.2	0	0	0	111.1	K15 D89 S94 S95	K15-D92 IonicContact NZ-OD1 3.57Å; K15-D92 IonicContact NZ-OD2 3.29Å; K15-D92 PolarHBondContact NZ-OD2 3.1Å; D89-D92 HydrophobicContact CB-CB 4.12Å; D89-D92 PolarHBondContact O-N 2.93Å; D92-S94 VanDerWaalsContact CG-OG 3.3Å; D92-S94 PolarHBondContact O-N 3.39Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.37Å; D92-S94 PolarHBondContact OD1-OG 3.35Å; D92-S94 PolarHBondContact OD2-OG 3.24Å; D92-S95 WeakPolarHBondContact O-CB 3.48Å; D92-S95 PolarHBondContact O-N 3.21Å; D92-S95 PolarHBondContact O-OG 2.86Å; D92-S95 PolarHBondContact OD1-N 3.32Å
93	S	97.6	Very high	97.6	Very high	53 Å²	53	25.1 Å²	25.1	37%	0.371	13%	0.128	S	C	.	.	H	α-helix	trans	-58.7	-31.6	177.7	55.8	0	0	0	0	113.8	S95 F96 Q97 Q133	S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.39Å; S93-F96 WeakPolarHBondContact O-CB 3.2Å; S93-F96 PolarHBondContact O-N 3.22Å; S93-Q97 PolarHBondContact O-N 3.29Å; S93-Q133 VanDerWaalsContact N-OE1 3.13Å; S93-Q133 PolarHBondContact OG-OE1 3.06Å
94	S	97.2	Very high	97.5	Very high	55 Å²	55	31.3 Å²	31.3	39%	0.385	15%	0.154	S	C	.	.	H	α-helix	trans	-68.7	-30.5	177.9	76.2	0	0	0	0	112	K15 D92 F96 Q97 R98	K15-S94 PolarHBondContact NZ-OG 3.33Å; D92-S94 VanDerWaalsContact CG-OG 3.3Å; D92-S94 PolarHBondContact O-N 3.39Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.37Å; D92-S94 PolarHBondContact OD1-OG 3.35Å; D92-S94 PolarHBondContact OD2-OG 3.24Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.44Å; S94-Q97 PolarHBondContact O-N 3.41Å; S94-R98 PolarHBondContact O-N 3.1Å; S94-R98 VanDerWaalsContact O-N 3.14Å
95	S	97.9	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-32	175.1	78.1	0	0	0	0	112.3	Y88 D89 D92 S93 R98 A99	Y88-S95 WeakPolarHBondContact CB-OG 3.32Å; D89-S95 PolarHBondContact N-OG 3.41Å; D89-S95 PolarHBondContact O-OG 3.31Å; D92-S95 WeakPolarHBondContact O-CB 3.48Å; D92-S95 PolarHBondContact O-N 3.21Å; D92-S95 PolarHBondContact O-OG 2.86Å; D92-S95 PolarHBondContact OD1-N 3.32Å; S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.39Å; S95-R98 WeakPolarHBondContact O-CB 3.42Å; S95-R98 PolarHBondContact O-N 3Å; S95-A99 PolarHBondContact O-N 3.12Å
96	F	98.4	Very high	97.1	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.044	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-39.6	174.7	-176.8	-124.2	0	0	0	111.9	Y88 S93 S94 R98 A99 R100 V134 A139 F142	Y88-F96 AromaticContact CD1-CD2 3.78Å; Y88-F96 HydrophobicContact CD1-CD2 3.78Å; Y88-F96 HydrophobicContact CD1-CE2 4.43Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CG 4.18Å; Y88-F96 AromaticContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CE2 4.08Å; Y88-F96 HydrophobicContact CE2-CB 4.2Å; Y88-F96 AromaticContact CE2-CD2 3.87Å; Y88-F96 HydrophobicContact CE2-CD2 3.87Å; Y88-F96 HydrophobicContact CE2-CG 4.26Å; Y88-F96 HydrophobicContact CG-CB 4.08Å; Y88-F96 AromaticContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CG 4.43Å; Y88-F96 AromaticContact CZ-CD2 3.8Å; S93-F96 WeakPolarHBondContact O-CB 3.2Å; S93-F96 PolarHBondContact O-N 3.22Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.44Å; F96-R98 PolarHBondContact O-N 3.1Å; F96-A99 WeakPolarHBondContact O-CB 3.25Å; F96-A99 PolarHBondContact O-N 2.85Å; F96-A99 VanDerWaalsContact O-N 3.08Å; F96-R100 VanDerWaalsContact CE1-NH2 3.3Å; F96-R100 WeakPolarHBondContact O-CG 2.98Å; F96-R100 PolarHBondContact O-N 3.41Å; F96-V134 HydrophobicContact CB-CG1 4.43Å; F96-V134 HydrophobicContact CB-CG2 3.78Å; F96-V134 HydrophobicContact CD1-CG1 3.7Å; F96-V134 HydrophobicContact CD1-CG2 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.29Å; F96-V134 HydrophobicContact CE1-CG1 3.91Å; F96-V134 HydrophobicContact CG-CG1 3.9Å; F96-V134 HydrophobicContact CG-CG2 4.16Å; F96-V134 HydrophobicContact CZ-CG1 4.34Å; F96-A139 HydrophobicContact CE2-CB 4.15Å; F96-A139 HydrophobicContact CZ-CB 4.1Å; F96-F142 HydrophobicContact CE2-CD1 4Å; F96-F142 HydrophobicContact CZ-CB 4.17Å; F96-F142 AromaticContact CZ-CD1 3.91Å; F96-F142 HydrophobicContact CZ-CD1 3.91Å; F96-F142 HydrophobicContact CZ-CG 4.16Å
97	Q	97.3	Very high	96.9	Very high	123 Å²	123	37.4 Å²	37.4	58%	0.575	18%	0.182	S	C	*	.	H	α-helix	trans	-58.6	-39.2	171.3	-63.8	-59	-21.2	0	0	111.6	S93 S94 R100 F101	S93-Q97 PolarHBondContact O-N 3.29Å; S94-Q97 PolarHBondContact O-N 3.41Å; Q97-R100 PolarHBondContact O-N 3.32Å; Q97-F101 PolarHBondContact O-N 2.91Å; Q97-F101 VanDerWaalsContact O-N 3.16Å
98	R	95.6	Very high	96.6	Very high	28 Å²	28	42.9 Å²	42.9	11%	0.106	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-36.4	174.9	-165.5	64.4	177.4	145.9	5.1	112.5	K15 E68 E71 S94 S95 F96 F101 W102	K15-R98 HydrophobicContact CB-CB 4.17Å; K15-R98 HydrophobicContact CB-CG 4.11Å; E68-R98 IonicContact OE1-NE 3.61Å; E71-R98 IonicContact OE1-CZ 3.59Å; E71-R98 IonicContact OE1-NH1 3.69Å; E71-R98 PolarHBondContact OE1-NH1 2.95Å; E71-R98 VanDerWaalsContact OE1-NH1 3.1Å; E71-R98 IonicContact OE1-NH2 2.75Å; E71-R98 PolarHBondContact OE1-NH2 2.62Å; E71-R98 IonicContact OE2-CZ 3.78Å; E71-R98 IonicContact OE2-NH1 2.78Å; E71-R98 IonicContact OE2-NH2 3.41Å; E71-R98 PolarHBondContact OE2-NH2 3.22Å; S94-R98 PolarHBondContact O-N 3.1Å; S94-R98 VanDerWaalsContact O-N 3.14Å; S95-R98 WeakPolarHBondContact O-CB 3.42Å; S95-R98 PolarHBondContact O-N 3Å; F96-R98 PolarHBondContact O-N 3.1Å; R98-F101 WeakPolarHBondContact O-CB 3.12Å; R98-F101 PolarHBondContact O-N 3.32Å; R98-W102 PolarHBondContact O-N 2.85Å; R98-W102 VanDerWaalsContact O-N 3.14Å
99	A	97.4	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-44.3	172.1	0	0	0	0	0	111.7	V86 Y88 S95 F96 F101 W102 V103	V86-A99 HydrophobicContact CG1-CB 3.72Å; Y88-A99 HydrophobicContact CD1-CB 4.45Å; S95-A99 PolarHBondContact O-N 3.12Å; F96-A99 WeakPolarHBondContact O-CB 3.25Å; F96-A99 PolarHBondContact O-N 2.85Å; F96-A99 VanDerWaalsContact O-N 3.08Å; A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 PolarHBondContact O-N 3.44Å; A99-W102 PolarHBondContact O-N 2.97Å; A99-V103 WeakPolarHBondContact O-CG2 3.41Å; A99-V103 PolarHBondContact O-N 3.47Å
100	R	97.6	Very high	95.9	Very high	86 Å²	86	46.7 Å²	46.7	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-57.1	-41.6	175.5	-65.7	-176.1	171.6	-126.3	-0.6	112.5	F96 Q97 V103 K104 F142	F96-R100 VanDerWaalsContact CE1-NH2 3.3Å; F96-R100 WeakPolarHBondContact O-CG 2.98Å; F96-R100 PolarHBondContact O-N 3.41Å; Q97-R100 PolarHBondContact O-N 3.32Å; R100-V103 PolarHBondContact O-N 3.13Å; R100-K104 PolarHBondContact O-N 2.85Å; R100-F142 HydrophobicContact CB-CE2 4.23Å; R100-F142 HydrophobicContact CB-CZ 3.97Å; R100-F142 HydrophobicContact CG-CD1 4.27Å; R100-F142 HydrophobicContact CG-CD2 4.18Å; R100-F142 HydrophobicContact CG-CE1 3.85Å; R100-F142 HydrophobicContact CG-CE2 3.75Å; R100-F142 HydrophobicContact CG-CG 4.43Å; R100-F142 HydrophobicContact CG-CZ 3.59Å
101	F	95.2	Very high	95.3	Very high	76 Å²	76	54.8 Å²	54.8	33%	0.333	27%	0.272	S	S	.	.	H	α-helix	trans	-57.8	-49.3	172.8	168.3	-87.3	0	0	0	112	E71 Q97 R98 A99 V103 K104 E105	E71-F101 WeakPolarHBondContact OE1-CE1 3.36Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.26Å; Q97-F101 PolarHBondContact O-N 2.91Å; Q97-F101 VanDerWaalsContact O-N 3.16Å; R98-F101 WeakPolarHBondContact O-CB 3.12Å; R98-F101 PolarHBondContact O-N 3.32Å; A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 PolarHBondContact O-N 3.44Å; F101-V103 PolarHBondContact O-N 2.94Å; F101-K104 PolarHBondContact O-N 2.88Å; F101-E105 HydrophobicContact CE1-CB 4.45Å; F101-E105 PolarHBondContact O-N 3.48Å
102	W	95.4	Very high	94.8	Very high	8 Å²	8	60 Å²	60	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-38.3	-178.3	-75.7	119.1	0	0	0	113	L13 E71 S74 Y78 V86 R98 A99 K104 E105 L106	L13-W102 HydrophobicContact CB-CB 4.34Å; L13-W102 HydrophobicContact CB-CD2 4.32Å; L13-W102 HydrophobicContact CB-CG 4.11Å; L13-W102 HydrophobicContact CD1-CB 4.43Å; L13-W102 HydrophobicContact CD1-CD2 4.33Å; L13-W102 HydrophobicContact CD1-CE3 4.03Å; L13-W102 HydrophobicContact CD2-CE3 4.42Å; E71-W102 HydrophobicContact CG-CH2 4.09Å; S74-W102 VanDerWaalsContact CB-CH2 3.5Å; S74-W102 WeakPolarHBondContact OG-CH2 3.42Å; Y78-W102 HydrophobicContact CE1-CZ3 4.3Å; V86-W102 HydrophobicContact CG1-CB 3.85Å; R98-W102 PolarHBondContact O-N 2.85Å; R98-W102 VanDerWaalsContact O-N 3.14Å; A99-W102 PolarHBondContact O-N 2.97Å; W102-K104 VanDerWaalsContact C-N 3.33Å; W102-K104 PolarHBondContact O-N 2.92Å; W102-E105 HydrophobicContact CE3-CB 4.43Å; W102-E105 HydrophobicContact CE3-CG 4.49Å; W102-E105 HydrophobicContact CZ3-CG 4.49Å; W102-E105 PolarHBondContact O-N 2.73Å; W102-L106 WeakPolarHBondContact O-CG 3.24Å; W102-L106 PolarHBondContact O-N 2.96Å
103	V	97	Very high	94.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-48.7	173.6	172.2	0	0	0	0	110.3	V86 A99 R100 F101 E105 L106 Q107 I115 V117 F142 V146	V86-V103 HydrophobicContact CB-CG2 4.38Å; V86-V103 HydrophobicContact CG1-CG2 4.27Å; V86-V103 HydrophobicContact CG2-CG2 4.23Å; A99-V103 WeakPolarHBondContact O-CG2 3.41Å; A99-V103 PolarHBondContact O-N 3.47Å; R100-V103 PolarHBondContact O-N 3.13Å; F101-V103 PolarHBondContact O-N 2.94Å; V103-E105 PolarHBondContact O-N 3.35Å; V103-L106 PolarHBondContact O-N 3.08Å; V103-Q107 WeakPolarHBondContact O-CG 2.95Å; V103-Q107 PolarHBondContact O-N 2.6Å; V103-I115 HydrophobicContact CG1-CD1 4.1Å; V103-I115 HydrophobicContact CG2-CG2 4.04Å; V103-V117 HydrophobicContact CG2-CG2 4.11Å; V103-F142 HydrophobicContact CB-CZ 4.09Å; V103-F142 HydrophobicContact CG1-CZ 4.15Å; V103-F142 HydrophobicContact CG2-CE1 4.12Å; V103-F142 HydrophobicContact CG2-CZ 4.09Å; V103-V146 HydrophobicContact CG1-CB 3.88Å; V103-V146 HydrophobicContact CG1-CG1 4.16Å; V103-V146 HydrophobicContact CG1-CG2 3.73Å
104	K	95.2	Very high	94.7	Very high	137 Å²	137	59.8 Å²	59.8	60%	0.596	29%	0.286	S	S	*	.	H	α-helix	trans	-64.1	-40.8	179.4	-172	172.6	-177.4	174.6	0	112.5	R100 F101 W102 L106 Q107 N108	R100-K104 PolarHBondContact O-N 2.85Å; F101-K104 PolarHBondContact O-N 2.88Å; W102-K104 VanDerWaalsContact C-N 3.33Å; W102-K104 PolarHBondContact O-N 2.92Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-Q107 PolarHBondContact O-N 2.76Å; K104-N108 PolarHBondContact O-N 2.88Å; K104-N108 VanDerWaalsContact O-N 3.13Å; K104-N108 PolarHBondContact O-ND2 3.24Å; K104-N108 VanDerWaalsContact O-ND2 3.1Å
105	E	93.6	Very high	94.8	Very high	40 Å²	40	57.9 Å²	57.9	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-44.8	176.1	-176.8	73.9	168.4	0	0	111.3	R75 Y78 F101 W102 V103 N108 C109	R75-E105 IonicContact NE-OE1 3.94Å; Y78-E105 HydrophobicContact CE1-CG 4.23Å; Y78-E105 WeakPolarHBondContact OH-CG 3.24Å; Y78-E105 PolarHBondContact OH-OE1 2.88Å; F101-E105 HydrophobicContact CE1-CB 4.45Å; F101-E105 PolarHBondContact O-N 3.48Å; W102-E105 HydrophobicContact CE3-CB 4.43Å; W102-E105 HydrophobicContact CE3-CG 4.49Å; W102-E105 HydrophobicContact CZ3-CG 4.49Å; W102-E105 PolarHBondContact O-N 2.73Å; V103-E105 PolarHBondContact O-N 3.35Å; E105-N108 PolarHBondContact O-N 2.97Å; E105-C109 WeakPolarHBondContact O-CB 3.42Å; E105-C109 PolarHBondContact O-N 3.14Å; E105-C109 PolarHBondContact O-SG 3.09Å; E105-C109 VanDerWaalsContact O-SG 3.35Å
106	L	94.9	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.9	177.2	-75	169.8	0	0	0	112.1	L13 Y78 A84 V86 W102 V103 K104 N108 C109 E110 I115	L13-L106 HydrophobicContact CD1-CD1 3.82Å; L13-L106 HydrophobicContact CD1-CD2 4.04Å; L13-L106 HydrophobicContact CD1-CG 3.99Å; Y78-L106 HydrophobicContact CD2-CD2 4.21Å; Y78-L106 HydrophobicContact CG-CD2 4.05Å; A84-L106 HydrophobicContact CB-CD1 3.36Å; A84-L106 HydrophobicContact CB-CD2 4.37Å; V86-L106 HydrophobicContact CG2-CD1 3.94Å; W102-L106 WeakPolarHBondContact O-CG 3.24Å; W102-L106 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.08Å; K104-L106 VanDerWaalsContact C-N 3.35Å; L106-N108 PolarHBondContact O-N 3.42Å; L106-C109 PolarHBondContact O-N 3.07Å; L106-C109 VanDerWaalsContact O-N 3.14Å; L106-E110 HydrophobicContact CD2-CB 4.44Å; L106-E110 HydrophobicContact CD2-CG 4.39Å; L106-E110 CarbonylContact O-C 3.59Å; L106-E110 WeakPolarHBondContact O-CA 3.29Å; L106-E110 PolarHBondContact O-N 3.03Å; L106-I115 HydrophobicContact CB-CD1 3.87Å; L106-I115 HydrophobicContact CD1-CD1 4.16Å; L106-I115 HydrophobicContact CD1-CG1 4.24Å
107	Q	94.3	Very high	94.8	Very high	88 Å²	88	57.5 Å²	57.5	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-32.1	177.1	-73.6	177.4	-34.7	0	0	112.5	V103 K104 I115 V146	V103-Q107 WeakPolarHBondContact O-CG 2.95Å; V103-Q107 PolarHBondContact O-N 2.6Å; K104-Q107 PolarHBondContact O-N 2.76Å; Q107-I115 HydrophobicContact CG-CD1 4.03Å; Q107-V146 PolarHBondContact NE2-O 3.08Å
108	N	92.4	Very high	94.9	Very high	115 Å²	115	51.6 Å²	51.6	62%	0.615	24%	0.242	S	C	*	.	H	α-helix	trans	-79.9	-26.8	177.8	-66	-28.7	0	0	0	113.7	K104 E105 L106	K104-N108 PolarHBondContact O-N 2.88Å; K104-N108 VanDerWaalsContact O-N 3.13Å; K104-N108 PolarHBondContact O-ND2 3.24Å; K104-N108 VanDerWaalsContact O-ND2 3.1Å; E105-N108 PolarHBondContact O-N 2.97Å; L106-N108 PolarHBondContact O-N 3.42Å
109	C	91.4	Very high	95	Very high	57 Å²	57	50.3 Å²	50.3	39%	0.385	24%	0.237	S	C	.	.	H	α-helix	trans	-114.2	-23	-169.1	-61.5	0	0	0	0	114.5	Y78 E105 L106	Y78-C109 HydrophobicContact CE2-CB 3.79Å; E105-C109 WeakPolarHBondContact O-CB 3.42Å; E105-C109 PolarHBondContact O-N 3.14Å; E105-C109 PolarHBondContact O-SG 3.09Å; E105-C109 VanDerWaalsContact O-SG 3.35Å; L106-C109 PolarHBondContact O-N 3.07Å; L106-C109 VanDerWaalsContact O-N 3.14Å
110	E	91.4	Very high	95.1	Very high	35 Å²	35	50.3 Å²	50.3	16%	0.164	24%	0.238	C	C	.	.			trans	-139.7	69.7	-170.3	-64.5	-65	142.3	0	0	110.7	Y78 R79 G80 L106 H112 C113	Y78-E110 HydrophobicContact CD2-CG 3.67Å; Y78-E110 HydrophobicContact CE2-CG 4.11Å; R79-E110 VanDerWaalsContact CA-OE1 3.26Å; R79-E110 WeakPolarHBondContact CA-OE1 3.29Å; G80-E110 WeakPolarHBondContact CA-OE2 3.36Å; G80-E110 PolarHBondContact N-OE1 3.03Å; G80-E110 PolarHBondContact N-OE2 3.07Å; L106-E110 HydrophobicContact CD2-CB 4.44Å; L106-E110 HydrophobicContact CD2-CG 4.39Å; L106-E110 CarbonylContact O-C 3.59Å; L106-E110 WeakPolarHBondContact O-CA 3.29Å; L106-E110 PolarHBondContact O-N 3.03Å; E110-H112 PolarHBondContact O-N 3.35Å; E110-H112 VanDerWaalsContact O-N 3.07Å; E110-C113 HydrophobicContact CB-CB 3.72Å; E110-C113 VanDerWaalsContact O-CB 3.24Å; E110-C113 WeakPolarHBondContact O-CB 3.43Å; E110-C113 PolarHBondContact O-N 3.45Å
111	E	86.2	Confident	95.1	Very high	169 Å²	169	49 Å²	49	79%	0.79	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.9	-175	-173.7	179.5	174.4	0	0	114.4
112	H	87.8	Confident	95.2	Very high	139 Å²	139	45.5 Å²	45.5	64%	0.644	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	8.8	-178.6	-55.9	-44	0	0	0	114.1	E110	E110-H112 PolarHBondContact O-N 3.35Å; E110-H112 VanDerWaalsContact O-N 3.07Å
113	C	95.1	Very high	95.3	Very high	13 Å²	13	46.4 Å²	46.4	9%	0.088	23%	0.225	C	C	.	.			trans	-86.6	115.3	179.1	-174	0	0	0	0	110.2	A84 E110	A84-C113 PolarHBondContact N-SG 3.42Å; E110-C113 HydrophobicContact CB-CB 3.72Å; E110-C113 VanDerWaalsContact O-CB 3.24Å; E110-C113 WeakPolarHBondContact O-CB 3.43Å; E110-C113 PolarHBondContact O-N 3.45Å
114	K	97.5	Very high	95.3	Very high	75 Å²	75	49.5 Å²	49.5	33%	0.326	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.2	171.7	-76.1	-173.1	179.1	174.4	0	110.3	R82 A83 A84 Y116 D171 S175	R82-K114 PolarHBondContact O-N 3.27Å; A83-K114 CarbonylContact C-O 3.56Å; A83-K114 WeakPolarHBondContact CA-O 3.17Å; A84-K114 PolarHBondContact N-O 3.42Å; K114-Y116 HydrophobicContact CB-CE2 3.93Å; K114-D171 HydrophobicContact CD-CB 3.94Å; K114-D171 PolarHBondContact NZ-O 2.85Å; K114-S175 PolarHBondContact NZ-OG 3.01Å
115	I	98.4	Very high	95.3	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.9	-174.2	-57.3	180	0	0	0	110.3	V86 V103 L106 Q107 A148 Q149	V86-I115 HydrophobicContact CG2-CG2 4.02Å; V103-I115 HydrophobicContact CG1-CD1 4.1Å; V103-I115 HydrophobicContact CG2-CG2 4.04Å; L106-I115 HydrophobicContact CB-CD1 3.87Å; L106-I115 HydrophobicContact CD1-CD1 4.16Å; L106-I115 HydrophobicContact CD1-CG1 4.24Å; Q107-I115 HydrophobicContact CG-CD1 4.03Å; I115-A148 HydrophobicContact CB-CB 3.98Å; I115-A148 HydrophobicContact CG2-CB 3.87Å; I115-A148 VanDerWaalsContact O-CA 3.27Å; I115-A148 WeakPolarHBondContact O-CA 3.41Å; I115-A148 WeakPolarHBondContact O-CB 3.36Å; I115-Q149 PolarHBondContact O-N 3.15Å; I115-Q149 VanDerWaalsContact O-N 3.07Å
116	Y	98.8	Very high	95.1	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.6	174.2	-57.7	-98	0	0	0	108.1	A83 A84 V85 V86 K114 Q149 F151 L164 K167 V168 D171	A83-Y116 HydrophobicContact CB-CD2 4.45Å; A83-Y116 HydrophobicContact CB-CE2 3.98Å; A84-Y116 PolarHBondContact O-N 3.09Å; V85-Y116 CarbonylContact C-O 3.43Å; V85-Y116 WeakPolarHBondContact CA-O 3.17Å; V86-Y116 PolarHBondContact N-O 3.46Å; K114-Y116 HydrophobicContact CB-CE2 3.93Å; Y116-Q149 CarbonylContact C-O 3.41Å; Y116-Q149 WeakPolarHBondContact CA-O 3.27Å; Y116-Q149 HydrophobicContact CD1-CB 3.84Å; Y116-Q149 HydrophobicContact CE1-CB 4.16Å; Y116-Q149 HydrophobicContact CE1-CG 4.41Å; Y116-F151 HydrophobicContact CD1-CE2 4.04Å; Y116-L164 HydrophobicContact CD1-CD1 4.21Å; Y116-L164 HydrophobicContact CG-CD1 4.33Å; Y116-K167 HydrophobicContact CE1-CG 4.1Å; Y116-V168 HydrophobicContact CD1-CG2 4.19Å; Y116-V168 HydrophobicContact CD2-CG2 3.8Å; Y116-V168 HydrophobicContact CE1-CG2 4.04Å; Y116-V168 HydrophobicContact CE2-CB 4.41Å; Y116-V168 HydrophobicContact CE2-CG2 3.63Å; Y116-V168 HydrophobicContact CG-CG2 4.09Å; Y116-D171 WeakPolarHBondContact OH-CB 3.04Å; Y116-D171 PolarHBondContact OH-OD2 3.31Å
117	V	98.8	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.9	174	178.2	0	0	0	0	108.3	Y88 V103 F142 A143 A148 Q149 Y150 F151	Y88-V117 HydrophobicContact CD1-CG1 4.2Å; Y88-V117 HydrophobicContact CE1-CG1 3.86Å; V103-V117 HydrophobicContact CG2-CG2 4.11Å; V117-F142 HydrophobicContact CG2-CE1 4.21Å; V117-A143 HydrophobicContact CB-CB 4.38Å; V117-A143 HydrophobicContact CG2-CB 4.33Å; V117-A148 HydrophobicContact CG2-CB 3.96Å; V117-Q149 PolarHBondContact N-O 3.07Å; V117-Y150 HydrophobicContact CB-CD2 4.16Å; V117-Y150 HydrophobicContact CG1-CD2 3.97Å; V117-Y150 HydrophobicContact CG1-CE2 4.29Å; V117-Y150 WeakPolarHBondContact O-CA 3.46Å; V117-Y150 WeakPolarHBondContact O-CD2 3.44Å; V117-F151 PolarHBondContact O-N 3.47Å
118	C	98.8	Very high	94.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	108.2	-173.6	-172.8	0	0	0	0	111.8	V85 V86 C87 Y88 F151 T153 L164	V85-C118 HydrophobicContact CG1-CB 3.84Å; V86-C118 PolarHBondContact O-N 3.42Å; C87-C118 CarbonylContact C-O 3.49Å; C87-C118 VanDerWaalsContact CA-O 3.27Å; C87-C118 WeakPolarHBondContact CA-O 3.38Å; Y88-C118 WeakPolarHBondContact CD1-O 3.42Å; Y88-C118 PolarHBondContact N-O 3.1Å; C118-F151 CarbonylContact C-O 3.44Å; C118-F151 VanDerWaalsContact CA-O 3.3Å; C118-F151 WeakPolarHBondContact CA-O 3.32Å; C118-T153 VanDerWaalsContact SG-CG2 3.52Å; C118-T153 PolarHBondContact SG-OG1 2.67Å; C118-L164 HydrophobicContact CB-CD2 4.42Å
119	G	98.7	Very high	94.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.5	166.6	0	0	0	0	0	110.1	Y88 F151 E152 T153	Y88-G119 VanDerWaalsContact CE1-CA 3.47Å; G119-F151 PolarHBondContact N-O 3.19Å; G119-E152 CarbonylContact O-C 3.47Å; G119-E152 WeakPolarHBondContact O-CA 3.3Å; G119-T153 PolarHBondContact O-N 3.35Å
120	T	98.7	Very high	94.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	167.9	-175.6	59.5	0	0	0	0	111.6	V18 C87 Y88 L90 S122 T153	V18-T120 PolarHBondContact O-OG1 2.87Å; C87-T120 HydrophobicContact CB-CG2 4.1Å; Y88-T120 WeakPolarHBondContact O-CB 3.32Å; Y88-T120 PolarHBondContact O-N 3.24Å; Y88-T120 PolarHBondContact O-OG1 2.8Å; L90-T120 WeakPolarHBondContact CD1-O 3.35Å; L90-T120 VanDerWaalsContact CG-O 3.32Å; L90-T120 WeakPolarHBondContact CG-O 3.31Å; L90-T120 PolarHBondContact N-O 3.29Å; T120-S122 VanDerWaalsContact C-N 3.34Å; T120-S122 PolarHBondContact O-N 3.41Å; T120-T153 CarbonylContact C-O 3.54Å; T120-T153 WeakPolarHBondContact CA-O 3.21Å
121	K	97.7	Very high	94.9	Very high	59 Å²	59	59.9 Å²	59.9	26%	0.257	31%	0.309	S	S	.	.			trans	63.1	35.3	178.2	-45.4	-174.6	-165.6	171	0	113.5	S17 V18 D89 D123 L124 T153	S17-K121 WeakPolarHBondContact O-CE 3.34Å; S17-K121 PolarHBondContact O-NZ 2.95Å; V18-K121 WeakPolarHBondContact O-CE 3.11Å; D89-K121 VanDerWaalsContact OD2-CD 3.32Å; D89-K121 WeakPolarHBondContact OD2-CD 3.12Å; D89-K121 WeakPolarHBondContact OD2-CE 3.45Å; D89-K121 IonicContact OD2-NZ 3.87Å; D89-K121 PolarHBondContact OD2-NZ 3.42Å; K121-D123 PolarHBondContact O-N 3.19Å; K121-D123 VanDerWaalsContact O-N 3.08Å; K121-L124 HydrophobicContact CB-CD1 3.92Å; K121-L124 HydrophobicContact CB-CG 4.16Å; K121-L124 HydrophobicContact CD-CD1 4.02Å; K121-L124 WeakPolarHBondContact O-CB 3.4Å; K121-L124 PolarHBondContact O-N 3.3Å; K121-T153 PolarHBondContact N-O 2.8Å
122	S	98.1	Very high	95.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-23	178.5	59	0	0	0	0	113.7	T120 L124 I125 E126 T153 S154	T120-S122 VanDerWaalsContact C-N 3.34Å; T120-S122 PolarHBondContact O-N 3.41Å; S122-L124 PolarHBondContact O-N 3.03Å; S122-I125 PolarHBondContact O-N 3.19Å; S122-I125 VanDerWaalsContact O-N 3.15Å; S122-E126 WeakPolarHBondContact O-CG 3.27Å; S122-E126 PolarHBondContact O-N 2.71Å; S122-T153 PolarHBondContact N-O 2.94Å; S122-T153 VanDerWaalsContact N-O 3.07Å; S122-T153 PolarHBondContact OG-O 3.07Å; S122-T153 VanDerWaalsContact OG-O 3.09Å; S122-S154 WeakPolarHBondContact OG-CB 3.3Å; S122-S154 PolarHBondContact OG-N 3.2Å
123	D	97.5	Very high	95.9	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-29.1	172.9	59.9	-78.4	0	0	0	113.8	K121 G127 S154 K156 T157	K121-D123 PolarHBondContact O-N 3.19Å; K121-D123 VanDerWaalsContact O-N 3.08Å; D123-G127 PolarHBondContact O-N 3.27Å; D123-S154 WeakPolarHBondContact CB-OG 3.44Å; D123-S154 VanDerWaalsContact CG-OG 3.27Å; D123-S154 WeakPolarHBondContact OD1-CB 3.22Å; D123-S154 PolarHBondContact OD1-OG 2.67Å; D123-K156 WeakPolarHBondContact OD2-CD 3.43Å; D123-K156 IonicContact OD2-NZ 3.1Å; D123-T157 HydrophobicContact CB-CG2 3.91Å
124	L	96.1	Very high	96	Very high	65 Å²	65	53.4 Å²	53.4	34%	0.34	28%	0.275	S	S	.	.	H	α-helix	trans	-71.8	-34.7	177.3	-59.8	-177.6	0	0	0	111.6	T91 K121 S122 E128	T91-L124 HydrophobicContact CG2-CB 4.07Å; T91-L124 HydrophobicContact CG2-CD1 4.1Å; K121-L124 HydrophobicContact CB-CD1 3.92Å; K121-L124 HydrophobicContact CB-CG 4.16Å; K121-L124 HydrophobicContact CD-CD1 4.02Å; K121-L124 WeakPolarHBondContact O-CB 3.4Å; K121-L124 PolarHBondContact O-N 3.3Å; S122-L124 PolarHBondContact O-N 3.03Å; L124-E128 PolarHBondContact O-N 3.11Å
125	I	94.9	Very high	96	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-78.6	-34	180	-53.2	-49.8	0	0	0	111.7	L90 T91 S122 G127 E128 R129 L131 R132	L90-I125 HydrophobicContact CB-CD1 4.36Å; L90-I125 HydrophobicContact CB-CG1 3.89Å; L90-I125 HydrophobicContact CD1-CG1 4.35Å; T91-I125 HydrophobicContact CG2-CD1 3.59Å; S122-I125 PolarHBondContact O-N 3.19Å; S122-I125 VanDerWaalsContact O-N 3.15Å; I125-G127 VanDerWaalsContact C-N 3.29Å; I125-E128 CarbonylContact O-C 3.35Å; I125-E128 PolarHBondContact O-N 2.72Å; I125-R129 WeakPolarHBondContact O-CA 3.37Å; I125-R129 PolarHBondContact O-N 3.47Å; I125-L131 HydrophobicContact CD1-CB 3.99Å; I125-R132 VanDerWaalsContact CD1-CA 3.47Å; I125-R132 HydrophobicContact CD1-CB 3.8Å; I125-R132 HydrophobicContact CG1-CB 4.39Å; I125-R132 HydrophobicContact CG2-CB 4.02Å
126	E	89.9	Confident	95.8	Very high	116 Å²	116	56.4 Å²	56.4	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-37.8	173.3	-72.6	177.3	177.9	0	0	111.5	S122 K159	S122-E126 WeakPolarHBondContact O-CG 3.27Å; S122-E126 PolarHBondContact O-N 2.71Å; E126-K159 WeakPolarHBondContact OE1-CD 3.39Å; E126-K159 IonicContact OE1-NZ 2.67Å; E126-K159 PolarHBondContact OE1-NZ 3.42Å
127	G	84.1	Confident	95.7	Very high	71 Å²	71	61.9 Å²	61.9	73%	0.732	32%	0.317	S	S	*	.	H	α-helix	trans	-72.8	-39.6	174.3	0	0	0	0	0	113.4	D123 I125	D123-G127 PolarHBondContact O-N 3.27Å; I125-G127 VanDerWaalsContact C-N 3.29Å
128	E	92.9	Very high	95.7	Very high	112 Å²	112	66.5 Å²	66.5	52%	0.523	34%	0.341	S	S	.	.			trans	-147.9	94.7	-177	-170.7	172.2	-168.1	0	0	111.4	L124 I125 A130 L131	L124-E128 PolarHBondContact O-N 3.11Å; I125-E128 CarbonylContact O-C 3.35Å; I125-E128 PolarHBondContact O-N 2.72Å; E128-A130 HydrophobicContact CG-CB 4.36Å; E128-A130 PolarHBondContact O-N 2.72Å; E128-L131 HydrophobicContact CB-CD1 3.91Å; E128-L131 HydrophobicContact CB-CG 3.96Å; E128-L131 HydrophobicContact CG-CD1 4.36Å; E128-L131 HydrophobicContact CG-CG 3.96Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 2.96Å
129	R	91.8	Very high	95.6	Very high	221 Å²	221	66.5 Å²	66.5	83%	0.834	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-55.2	-28.1	-177.7	-76.5	-173	166.5	-163.6	-4.6	114.1	I125 L131 R132	I125-R129 WeakPolarHBondContact O-CA 3.37Å; I125-R129 PolarHBondContact O-N 3.47Å; R129-L131 PolarHBondContact O-N 2.89Å; R129-R132 WeakPolarHBondContact O-CB 3.27Å; R129-R132 PolarHBondContact O-N 2.77Å
130	A	94.9	Very high	95.6	Very high	88 Å²	88	69.5 Å²	69.5	73%	0.727	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.5	179.1	0	0	0	0	0	113.7	E128 R132	E128-A130 HydrophobicContact CG-CB 4.36Å; E128-A130 PolarHBondContact O-N 2.72Å; A130-R132 VanDerWaalsContact C-N 3.26Å; A130-R132 PolarHBondContact O-N 2.86Å
131	L	96.1	Very high	95.6	Very high	70 Å²	70	73.4 Å²	73.4	37%	0.366	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-76.6	-11.3	176.1	-61.6	179.5	0	0	0	113.1	T91 I125 E128 R129 Q133	T91-L131 WeakPolarHBondContact CA-O 3.19Å; T91-L131 HydrophobicContact CG2-CB 4.04Å; I125-L131 HydrophobicContact CD1-CB 3.99Å; E128-L131 HydrophobicContact CB-CD1 3.91Å; E128-L131 HydrophobicContact CB-CG 3.96Å; E128-L131 HydrophobicContact CG-CD1 4.36Å; E128-L131 HydrophobicContact CG-CG 3.96Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 2.96Å; R129-L131 PolarHBondContact O-N 2.89Å; L131-Q133 PolarHBondContact O-N 2.99Å
132	R	97.9	Very high	95.6	Very high	65 Å²	65	71.6 Å²	71.6	25%	0.245	37%	0.368	C	S	.	.			trans	-68.7	121.9	-179.8	179.1	174.8	-79.1	-92.2	2.9	109.4	I125 R129 A130 V134 E152	I125-R132 VanDerWaalsContact CD1-CA 3.47Å; I125-R132 HydrophobicContact CD1-CB 3.8Å; I125-R132 HydrophobicContact CG1-CB 4.39Å; I125-R132 HydrophobicContact CG2-CB 4.02Å; R129-R132 WeakPolarHBondContact O-CB 3.27Å; R129-R132 PolarHBondContact O-N 2.77Å; A130-R132 VanDerWaalsContact C-N 3.26Å; A130-R132 PolarHBondContact O-N 2.86Å; R132-V134 WeakPolarHBondContact CD-O 3.35Å; R132-V134 WeakPolarHBondContact CG-O 3.5Å; R132-V134 PolarHBondContact NH1-O 2.79Å; R132-E152 IonicContact CZ-OE1 3.93Å; R132-E152 VanDerWaalsContact CZ-OE1 3.29Å; R132-E152 IonicContact CZ-OE2 2.81Å; R132-E152 IonicContact NH1-OE1 3.02Å; R132-E152 PolarHBondContact NH1-OE1 2.76Å; R132-E152 IonicContact NH2-OE1 2.63Å; R132-E152 PolarHBondContact NH2-OE1 2.84Å; R132-E152 IonicContact NH2-OE2 2.78Å; R132-E152 PolarHBondContact NH2-OE2 3.07Å
133	Q	98.1	Very high	95.6	Very high	112 Å²	112	71.5 Å²	71.5	52%	0.523	37%	0.368	S	S	.	.			trans	-108.3	-5.9	175.8	-64.7	-165.8	12.7	0	0	113.7	L90 T91 S93 L131	L90-Q133 PolarHBondContact O-N 2.96Å; T91-Q133 WeakPolarHBondContact O-CG 3.48Å; T91-Q133 PolarHBondContact O-NE2 3.14Å; T91-Q133 PolarHBondContact O-OE1 3.42Å; S93-Q133 VanDerWaalsContact N-OE1 3.13Å; S93-Q133 PolarHBondContact OG-OE1 3.06Å; L131-Q133 PolarHBondContact O-N 2.99Å
134	V	96.6	Very high	95.6	Very high	8 Å²	8	75.9 Å²	75.9	5%	0.048	39%	0.388	C	S	.	.	S	Bend	trans	-129.6	118.8	178.5	-174.8	0	0	0	0	108.1	Y88 F96 R132 A139	Y88-V134 HydrophobicContact CD2-CG2 4.29Å; Y88-V134 HydrophobicContact CE2-CB 3.94Å; Y88-V134 HydrophobicContact CE2-CG1 3.91Å; Y88-V134 HydrophobicContact CE2-CG2 3.93Å; F96-V134 HydrophobicContact CB-CG1 4.43Å; F96-V134 HydrophobicContact CB-CG2 3.78Å; F96-V134 HydrophobicContact CD1-CG1 3.7Å; F96-V134 HydrophobicContact CD1-CG2 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.29Å; F96-V134 HydrophobicContact CE1-CG1 3.91Å; F96-V134 HydrophobicContact CG-CG1 3.9Å; F96-V134 HydrophobicContact CG-CG2 4.16Å; F96-V134 HydrophobicContact CZ-CG1 4.34Å; R132-V134 WeakPolarHBondContact CD-O 3.35Å; R132-V134 WeakPolarHBondContact CG-O 3.5Å; R132-V134 PolarHBondContact NH1-O 2.79Å; V134-A139 HydrophobicContact CG1-CB 4.13Å
135	D	96.5	Very high	95.7	Very high	72 Å²	72	79.6 Å²	79.6	39%	0.385	41%	0.408	S	S	.	.			trans	-64.4	146.9	177.4	-167.1	-96.9	0	0	0	110.8	H137 D138 A139	D135-H137 WeakPolarHBondContact OD1-CB 3.5Å; D135-H137 IonicContact OD1-CG 2.84Å; D135-H137 PolarHBondContact OD1-N 3.14Å; D135-H137 IonicContact OD1-ND1 2.82Å; D135-H137 PolarHBondContact OD1-ND1 3.21Å; D135-D138 HydrophobicContact CB-CB 4.1Å; D135-A139 PolarHBondContact O-N 2.94Å
136	F	95.9	Very high	95.8	Very high	82 Å²	82	80.6 Å²	80.6	36%	0.36	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-43.3	179	175.1	-92	0	0	0	111.5	A139 Q140 Y150 E152	F136-A139 PolarHBondContact O-N 3.45Å; F136-Q140 WeakPolarHBondContact O-CB 2.97Å; F136-Q140 PolarHBondContact O-N 3.47Å; F136-Y150 AromaticContact CD2-CE1 3.72Å; F136-Y150 HydrophobicContact CD2-CE1 3.72Å; F136-Y150 HydrophobicContact CE2-CD1 4.14Å; F136-Y150 AromaticContact CE2-CE1 3.56Å; F136-Y150 HydrophobicContact CE2-CE1 3.56Å; F136-Y150 HydrophobicContact CZ-CD1 4.49Å; F136-Y150 HydrophobicContact CZ-CE1 4.28Å; F136-E152 HydrophobicContact CD2-CG 4.49Å
137	H	96.8	Very high	96.1	Very high	117 Å²	117	78.5 Å²	78.5	54%	0.542	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-43.3	-178.9	-55	87.5	0	0	0	110.4	D135 A139 Q140 D141	D135-H137 WeakPolarHBondContact OD1-CB 3.5Å; D135-H137 IonicContact OD1-CG 2.84Å; D135-H137 PolarHBondContact OD1-N 3.14Å; D135-H137 IonicContact OD1-ND1 2.82Å; D135-H137 PolarHBondContact OD1-ND1 3.21Å; H137-A139 PolarHBondContact O-N 3.3Å; H137-Q140 PolarHBondContact O-N 2.98Å; H137-Q140 VanDerWaalsContact O-N 3.13Å; H137-D141 VanDerWaalsContact O-CB 3.32Å; H137-D141 WeakPolarHBondContact O-CB 3.43Å; H137-D141 PolarHBondContact O-N 3.37Å
138	D	96.9	Very high	96.8	Very high	97 Å²	97	75.6 Å²	75.6	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-57.8	-35.3	176.4	-70.3	-15.7	0	0	0	113	D135 F142	D135-D138 HydrophobicContact CB-CB 4.1Å; D138-F142 VanDerWaalsContact O-CB 3.3Å; D138-F142 WeakPolarHBondContact O-CB 3.26Å; D138-F142 PolarHBondContact O-N 3.41Å
139	A	97.7	Very high	97.1	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-77.9	-39.2	177.4	0	0	0	0	0	112.5	Y88 F96 V134 D135 F136 H137 A143 Y150	Y88-A139 WeakPolarHBondContact OH-CB 3.42Å; F96-A139 HydrophobicContact CE2-CB 4.15Å; F96-A139 HydrophobicContact CZ-CB 4.1Å; V134-A139 HydrophobicContact CG1-CB 4.13Å; D135-A139 PolarHBondContact O-N 2.94Å; F136-A139 PolarHBondContact O-N 3.45Å; H137-A139 PolarHBondContact O-N 3.3Å; A139-A143 PolarHBondContact O-N 2.99Å; A139-Y150 HydrophobicContact CB-CD2 4.47Å; A139-Y150 HydrophobicContact CB-CE1 4.23Å; A139-Y150 HydrophobicContact CB-CE2 3.74Å
140	Q	98	Very high	97.4	Very high	62 Å²	62	64.6 Å²	64.6	29%	0.29	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-51.1	176.2	-178.7	174.2	-8.9	0	0	111.4	F136 H137 F142 A143 E144 Y150	F136-Q140 WeakPolarHBondContact O-CB 2.97Å; F136-Q140 PolarHBondContact O-N 3.47Å; H137-Q140 PolarHBondContact O-N 2.98Å; H137-Q140 VanDerWaalsContact O-N 3.13Å; Q140-F142 VanDerWaalsContact C-N 3.25Å; Q140-F142 PolarHBondContact O-N 3.49Å; Q140-A143 WeakPolarHBondContact O-CA 3.11Å; Q140-A143 WeakPolarHBondContact O-CB 3.47Å; Q140-A143 PolarHBondContact O-N 2.97Å; Q140-E144 HydrophobicContact CG-CG 4.49Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.48Å; Q140-E144 PolarHBondContact NE2-OE1 3.13Å; Q140-E144 WeakPolarHBondContact O-CG 3.04Å; Q140-E144 PolarHBondContact O-N 3.49Å; Q140-Y150 HydrophobicContact CB-CD1 4.02Å; Q140-Y150 HydrophobicContact CB-CE1 4.48Å
141	D	98.4	Very high	97.6	Very high	83 Å²	83	62.1 Å²	62.1	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-43.9	177.5	-68.6	-6.7	0	0	0	110.3	H137 A143 E144 D145	H137-D141 VanDerWaalsContact O-CB 3.32Å; H137-D141 WeakPolarHBondContact O-CB 3.43Å; H137-D141 PolarHBondContact O-N 3.37Å; D141-A143 PolarHBondContact O-N 2.78Å; D141-E144 PolarHBondContact O-N 3.28Å; D141-D145 WeakPolarHBondContact O-CB 3.49Å; D141-D145 VanDerWaalsContact O-CG 3.3Å; D141-D145 PolarHBondContact O-N 3.31Å
142	F	98.4	Very high	97.7	Very high	21 Å²	21	60 Å²	60	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-43.1	174.4	169.2	-105.7	0	0	0	112.9	F96 R100 V103 V117 D138 Q140 V146	F96-F142 HydrophobicContact CE2-CD1 4Å; F96-F142 HydrophobicContact CZ-CB 4.17Å; F96-F142 AromaticContact CZ-CD1 3.91Å; F96-F142 HydrophobicContact CZ-CD1 3.91Å; F96-F142 HydrophobicContact CZ-CG 4.16Å; R100-F142 HydrophobicContact CB-CE2 4.23Å; R100-F142 HydrophobicContact CB-CZ 3.97Å; R100-F142 HydrophobicContact CG-CD1 4.27Å; R100-F142 HydrophobicContact CG-CD2 4.18Å; R100-F142 HydrophobicContact CG-CE1 3.85Å; R100-F142 HydrophobicContact CG-CE2 3.75Å; R100-F142 HydrophobicContact CG-CG 4.43Å; R100-F142 HydrophobicContact CG-CZ 3.59Å; V103-F142 HydrophobicContact CB-CZ 4.09Å; V103-F142 HydrophobicContact CG1-CZ 4.15Å; V103-F142 HydrophobicContact CG2-CE1 4.12Å; V103-F142 HydrophobicContact CG2-CZ 4.09Å; V117-F142 HydrophobicContact CG2-CE1 4.21Å; D138-F142 VanDerWaalsContact O-CB 3.3Å; D138-F142 WeakPolarHBondContact O-CB 3.26Å; D138-F142 PolarHBondContact O-N 3.41Å; Q140-F142 VanDerWaalsContact C-N 3.25Å; Q140-F142 PolarHBondContact O-N 3.49Å; F142-V146 HydrophobicContact CD2-CG1 4.14Å; F142-V146 HydrophobicContact CE1-CG2 4.41Å; F142-V146 HydrophobicContact CE2-CG1 3.57Å; F142-V146 HydrophobicContact CZ-CG1 3.95Å; F142-V146 HydrophobicContact CZ-CG2 4.23Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 2.75Å
143	A	98.3	Very high	97.7	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-41.4	178.8	0	0	0	0	0	111.1	V117 A139 Q140 D141 V146 G147 A148	V117-A143 HydrophobicContact CB-CB 4.38Å; V117-A143 HydrophobicContact CG2-CB 4.33Å; A139-A143 PolarHBondContact O-N 2.99Å; Q140-A143 WeakPolarHBondContact O-CA 3.11Å; Q140-A143 WeakPolarHBondContact O-CB 3.47Å; Q140-A143 PolarHBondContact O-N 2.97Å; D141-A143 PolarHBondContact O-N 2.78Å; A143-V146 WeakPolarHBondContact O-CG2 3.34Å; A143-V146 PolarHBondContact O-N 3.1Å; A143-G147 PolarHBondContact O-N 3.1Å; A143-G147 VanDerWaalsContact O-N 3.16Å; A143-A148 CarbonylContact C-O 3.56Å; A143-A148 HydrophobicContact CB-CB 4.31Å; A143-A148 WeakPolarHBondContact O-CA 3.32Å; A143-A148 PolarHBondContact O-N 3.09Å; A143-A148 VanDerWaalsContact O-O 3.1Å
144	E	98.1	Very high	97.7	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-63	-46.5	176.4	-69.1	178.4	-168.1	0	0	111.5	Q140 D141 V146 G147	Q140-E144 HydrophobicContact CG-CG 4.49Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.48Å; Q140-E144 PolarHBondContact NE2-OE1 3.13Å; Q140-E144 WeakPolarHBondContact O-CG 3.04Å; Q140-E144 PolarHBondContact O-N 3.49Å; D141-E144 PolarHBondContact O-N 3.28Å; E144-V146 PolarHBondContact O-N 2.58Å; E144-G147 PolarHBondContact O-N 3.44Å
145	D	97.9	Very high	97.8	Very high	143 Å²	143	51.6 Å²	51.6	77%	0.765	28%	0.275	S	S	*	.	H	α-helix	trans	-57.4	-34.1	178.6	-80.4	-15.2	0	0	0	113.2	D141	D141-D145 WeakPolarHBondContact O-CB 3.49Å; D141-D145 VanDerWaalsContact O-CG 3.3Å; D141-D145 PolarHBondContact O-N 3.31Å
146	V	96.9	Very high	97.8	Very high	32 Å²	32	53.6 Å²	53.6	19%	0.194	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.2	-179.3	-57	0	0	0	0	113.1	V103 Q107 F142 A143 E144 A148	V103-V146 HydrophobicContact CG1-CB 3.88Å; V103-V146 HydrophobicContact CG1-CG1 4.16Å; V103-V146 HydrophobicContact CG1-CG2 3.73Å; Q107-V146 PolarHBondContact NE2-O 3.08Å; F142-V146 HydrophobicContact CD2-CG1 4.14Å; F142-V146 HydrophobicContact CE1-CG2 4.41Å; F142-V146 HydrophobicContact CE2-CG1 3.57Å; F142-V146 HydrophobicContact CZ-CG1 3.95Å; F142-V146 HydrophobicContact CZ-CG2 4.23Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 2.75Å; A143-V146 WeakPolarHBondContact O-CG2 3.34Å; A143-V146 PolarHBondContact O-N 3.1Å; E144-V146 PolarHBondContact O-N 2.58Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 HydrophobicContact CG2-CB 3.72Å; V146-A148 PolarHBondContact O-N 2.81Å
147	G	96.8	Very high	97.9	Very high	72 Å²	72	53.6 Å²	53.6	74%	0.742	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	24.8	-178.7	0	0	0	0	0	114	A143 E144	A143-G147 PolarHBondContact O-N 3.1Å; A143-G147 VanDerWaalsContact O-N 3.16Å; E144-G147 PolarHBondContact O-N 3.44Å
148	A	98	Very high	98	Very high	11 Å²	11	48.9 Å²	48.9	9%	0.091	27%	0.27	C	S	.	.			trans	-95.8	159	175.8	0	0	0	0	0	111.7	I115 V117 A143 V146	I115-A148 HydrophobicContact CB-CB 3.98Å; I115-A148 HydrophobicContact CG2-CB 3.87Å; I115-A148 VanDerWaalsContact O-CA 3.27Å; I115-A148 WeakPolarHBondContact O-CA 3.41Å; I115-A148 WeakPolarHBondContact O-CB 3.36Å; V117-A148 HydrophobicContact CG2-CB 3.96Å; A143-A148 CarbonylContact C-O 3.56Å; A143-A148 HydrophobicContact CB-CB 4.31Å; A143-A148 WeakPolarHBondContact O-CA 3.32Å; A143-A148 PolarHBondContact O-N 3.09Å; A143-A148 VanDerWaalsContact O-O 3.1Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 HydrophobicContact CG2-CB 3.72Å; V146-A148 PolarHBondContact O-N 2.81Å
149	Q	98.1	Very high	98.1	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.2	168.3	-70	177.6	47.7	0	0	110.8	I115 Y116 V117 F151 D171	I115-Q149 PolarHBondContact O-N 3.15Å; I115-Q149 VanDerWaalsContact O-N 3.07Å; Y116-Q149 CarbonylContact C-O 3.41Å; Y116-Q149 WeakPolarHBondContact CA-O 3.27Å; Y116-Q149 HydrophobicContact CD1-CB 3.84Å; Y116-Q149 HydrophobicContact CE1-CB 4.16Å; Y116-Q149 HydrophobicContact CE1-CG 4.41Å; V117-Q149 PolarHBondContact N-O 3.07Å; Q149-F151 HydrophobicContact CB-CE2 4.08Å; Q149-D171 PolarHBondContact NE2-OD2 2.88Å
150	Y	98.7	Very high	98.1	Very high	37 Å²	37	50.9 Å²	50.9	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.6	-176.5	-177.9	-122.2	0	0	0	112.7	Y88 V117 F136 A139 Q140 E152	Y88-Y150 HydrophobicContact CE1-CE2 4.06Å; Y88-Y150 WeakPolarHBondContact OH-CE2 3.5Å; Y88-Y150 PolarHBondContact OH-OH 3.03Å; V117-Y150 HydrophobicContact CB-CD2 4.16Å; V117-Y150 HydrophobicContact CG1-CD2 3.97Å; V117-Y150 HydrophobicContact CG1-CE2 4.29Å; V117-Y150 WeakPolarHBondContact O-CA 3.46Å; V117-Y150 WeakPolarHBondContact O-CD2 3.44Å; F136-Y150 AromaticContact CD2-CE1 3.72Å; F136-Y150 HydrophobicContact CD2-CE1 3.72Å; F136-Y150 HydrophobicContact CE2-CD1 4.14Å; F136-Y150 AromaticContact CE2-CE1 3.56Å; F136-Y150 HydrophobicContact CE2-CE1 3.56Å; F136-Y150 HydrophobicContact CZ-CD1 4.49Å; F136-Y150 HydrophobicContact CZ-CE1 4.28Å; A139-Y150 HydrophobicContact CB-CD2 4.47Å; A139-Y150 HydrophobicContact CB-CE1 4.23Å; A139-Y150 HydrophobicContact CB-CE2 3.74Å; Q140-Y150 HydrophobicContact CB-CD1 4.02Å; Q140-Y150 HydrophobicContact CB-CE1 4.48Å; Y150-E152 HydrophobicContact CE1-CG 4.05Å; Y150-E152 WeakPolarHBondContact OH-CG 3.47Å; Y150-E152 PolarHBondContact OH-OE1 2.75Å
151	F	98.7	Very high	98.1	Very high	37 Å²	37	47.9 Å²	47.9	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.1	177.1	-72.3	-99	0	0	0	111	Y116 V117 C118 G119 Q149 T153 L164 K167	Y116-F151 HydrophobicContact CD1-CE2 4.04Å; V117-F151 PolarHBondContact O-N 3.47Å; C118-F151 CarbonylContact C-O 3.44Å; C118-F151 VanDerWaalsContact CA-O 3.3Å; C118-F151 WeakPolarHBondContact CA-O 3.32Å; G119-F151 PolarHBondContact N-O 3.19Å; Q149-F151 HydrophobicContact CB-CE2 4.08Å; F151-T153 HydrophobicContact CB-CG2 4.34Å; F151-L164 HydrophobicContact CB-CD1 4.27Å; F151-L164 HydrophobicContact CD1-CB 4.14Å; F151-L164 HydrophobicContact CD1-CD1 4.33Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.42Å; F151-L164 HydrophobicContact CE2-CD1 3.94Å; F151-L164 HydrophobicContact CG-CB 4.37Å; F151-L164 HydrophobicContact CG-CD1 3.8Å; F151-L164 HydrophobicContact CZ-CD1 4.46Å; F151-K167 HydrophobicContact CE2-CG 4.49Å; F151-K167 HydrophobicContact CZ-CB 3.99Å; F151-K167 HydrophobicContact CZ-CG 4.01Å
152	E	98.6	Very high	98.1	Very high	25 Å²	25	47.5 Å²	47.5	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.5	162.2	-68.4	-166.6	171.5	0	0	110.4	L90 G119 R132 F136 Y150 N160	L90-E152 HydrophobicContact CD1-CB 4.28Å; L90-E152 HydrophobicContact CD1-CG 4.12Å; L90-E152 HydrophobicContact CD2-CG 4.09Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.33Å; G119-E152 CarbonylContact O-C 3.47Å; G119-E152 WeakPolarHBondContact O-CA 3.3Å; R132-E152 IonicContact CZ-OE1 3.93Å; R132-E152 VanDerWaalsContact CZ-OE1 3.29Å; R132-E152 IonicContact CZ-OE2 2.81Å; R132-E152 IonicContact NH1-OE1 3.02Å; R132-E152 PolarHBondContact NH1-OE1 2.76Å; R132-E152 IonicContact NH2-OE1 2.63Å; R132-E152 PolarHBondContact NH2-OE1 2.84Å; R132-E152 IonicContact NH2-OE2 2.78Å; R132-E152 PolarHBondContact NH2-OE2 3.07Å; F136-E152 HydrophobicContact CD2-CG 4.49Å; Y150-E152 HydrophobicContact CE1-CG 4.05Å; Y150-E152 WeakPolarHBondContact OH-CG 3.47Å; Y150-E152 PolarHBondContact OH-OE1 2.75Å; E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 2.78Å
153	T	98.8	Very high	98.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.			trans	-124.5	156.8	-173.1	67.6	0	0	0	0	112.7	L23 C118 G119 T120 K121 S122 F151 K159 N160 L164	L23-T153 HydrophobicContact CD1-CG2 4.48Å; C118-T153 VanDerWaalsContact SG-CG2 3.52Å; C118-T153 PolarHBondContact SG-OG1 2.67Å; G119-T153 PolarHBondContact O-N 3.35Å; T120-T153 CarbonylContact C-O 3.54Å; T120-T153 WeakPolarHBondContact CA-O 3.21Å; K121-T153 PolarHBondContact N-O 2.8Å; S122-T153 PolarHBondContact N-O 2.94Å; S122-T153 VanDerWaalsContact N-O 3.07Å; S122-T153 PolarHBondContact OG-O 3.07Å; S122-T153 VanDerWaalsContact OG-O 3.09Å; F151-T153 HydrophobicContact CB-CG2 4.34Å; T153-K159 VanDerWaalsContact CA-O 3.3Å; T153-K159 WeakPolarHBondContact CA-O 3.38Å; T153-N160 HydrophobicContact CG2-CB 3.98Å; T153-L164 HydrophobicContact CG2-CD2 4.21Å
154	S	98.5	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.			trans	-129.5	113.5	165	172.2	0	0	0	0	109.9	S122 D123 K156 T157 G158 K159	S122-S154 WeakPolarHBondContact OG-CB 3.3Å; S122-S154 PolarHBondContact OG-N 3.2Å; D123-S154 WeakPolarHBondContact CB-OG 3.44Å; D123-S154 VanDerWaalsContact CG-OG 3.27Å; D123-S154 WeakPolarHBondContact OD1-CB 3.22Å; D123-S154 PolarHBondContact OD1-OG 2.67Å; S154-K156 PolarHBondContact O-N 2.84Å; S154-K156 PolarHBondContact OG-N 2.68Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 2.89Å; S154-T157 VanDerWaalsContact OG-N 3.09Å; S154-T157 PolarHBondContact OG-OG1 2.91Å; S154-G158 CarbonylContact O-C 3.55Å; S154-G158 VanDerWaalsContact O-CA 3.27Å; S154-G158 WeakPolarHBondContact O-CA 3.46Å; S154-G158 PolarHBondContact O-N 2.77Å; S154-K159 PolarHBondContact N-O 3.35Å; S154-K159 PolarHBondContact O-N 3.39Å
155	S	98.3	Very high	98.2	Very high	8 Å²	8	45.6 Å²	45.6	6%	0.056	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.5	170.1	-42.7	0	0	0	0	112.1	S22 L23 R26	S22-S155 WeakPolarHBondContact O-CB 3.18Å; L23-S155 VanDerWaalsContact CA-OG 3.3Å; L23-S155 WeakPolarHBondContact CA-OG 3.48Å; L23-S155 PolarHBondContact N-OG 2.84Å; R26-S155 PolarHBondContact NE-O 3.28Å; R26-S155 PolarHBondContact NH2-O 2.82Å
156	K	97.2	Very high	98.2	Very high	115 Å²	115	41.4 Å²	41.4	50%	0.5	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-50.6	179.2	-172.7	-173.6	-177	-179.4	0	110.8	R26 F32 D123 S154	R26-K156 PolarHBondContact NH2-O 2.78Å; F32-K156 HydrophobicContact CD1-CG 4.26Å; F32-K156 HydrophobicContact CD2-CB 4.31Å; F32-K156 HydrophobicContact CE1-CG 4.28Å; F32-K156 HydrophobicContact CE2-CB 4.27Å; F32-K156 HydrophobicContact CG-CB 4.43Å; F32-K156 HydrophobicContact CZ-CB 4.37Å; D123-K156 WeakPolarHBondContact OD2-CD 3.43Å; D123-K156 IonicContact OD2-NZ 3.1Å; S154-K156 PolarHBondContact O-N 2.84Å; S154-K156 PolarHBondContact OG-N 2.68Å
157	T	97.6	Very high	98.3	Very high	81 Å²	81	42.8 Å²	42.8	50%	0.497	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-20.9	-177.4	65.8	0	0	0	0	113.3	D123 S154 K159	D123-T157 HydrophobicContact CB-CG2 3.91Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 2.89Å; S154-T157 VanDerWaalsContact OG-N 3.09Å; S154-T157 PolarHBondContact OG-OG1 2.91Å; T157-K159 WeakPolarHBondContact OG1-CB 3.48Å; T157-K159 PolarHBondContact OG1-N 3.16Å
158	G	98.2	Very high	98.3	Very high	19 Å²	19	39.5 Å²	39.5	20%	0.196	20%	0.196	C	C	.	.			trans	90.3	-3.4	-172.1	0	0	0	0	0	113.9	S154 N160 V161	S154-G158 CarbonylContact O-C 3.55Å; S154-G158 VanDerWaalsContact O-CA 3.27Å; S154-G158 WeakPolarHBondContact O-CA 3.46Å; S154-G158 PolarHBondContact O-N 2.77Å; G158-N160 PolarHBondContact O-N 2.77Å; G158-V161 PolarHBondContact O-N 3.4Å
159	K	98.4	Very high	98.3	Very high	85 Å²	85	39 Å²	39	37%	0.37	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.9	-177.7	-176.9	-177.8	-178.9	-174.5	0	111.8	E126 T153 S154 T157 V161	E126-K159 WeakPolarHBondContact OE1-CD 3.39Å; E126-K159 IonicContact OE1-NZ 2.67Å; E126-K159 PolarHBondContact OE1-NZ 3.42Å; T153-K159 VanDerWaalsContact CA-O 3.3Å; T153-K159 WeakPolarHBondContact CA-O 3.38Å; S154-K159 PolarHBondContact N-O 3.35Å; S154-K159 PolarHBondContact O-N 3.39Å; T157-K159 WeakPolarHBondContact OG1-CB 3.48Å; T157-K159 PolarHBondContact OG1-N 3.16Å; K159-V161 PolarHBondContact O-N 3.05Å; K159-V161 VanDerWaalsContact O-N 3.11Å
160	N	98.5	Very high	98.2	Very high	53 Å²	53	39.5 Å²	39.5	28%	0.283	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	10.8	176.1	-65.3	-19.6	0	0	0	115.1	E152 T153 G158 E163 L164	E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 2.78Å; T153-N160 HydrophobicContact CG2-CB 3.98Å; G158-N160 PolarHBondContact O-N 2.77Å; N160-E163 WeakPolarHBondContact CA-OE2 3.43Å; N160-E163 PolarHBondContact N-OE2 3.31Å; N160-L164 WeakPolarHBondContact O-CB 3.5Å; N160-L164 PolarHBondContact O-N 3.25Å
161	V	98.8	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-75.5	-51	-176.8	179	0	0	0	0	110.6	L23 R26 G158 K159 E163 L164 F165	L23-V161 HydrophobicContact CD1-CB 4.2Å; L23-V161 HydrophobicContact CD1-CG1 3.78Å; L23-V161 HydrophobicContact CD1-CG2 3.59Å; R26-V161 HydrophobicContact CB-CG1 4.36Å; R26-V161 HydrophobicContact CG-CB 4.16Å; R26-V161 HydrophobicContact CG-CG1 3.92Å; R26-V161 HydrophobicContact CG-CG2 3.96Å; G158-V161 PolarHBondContact O-N 3.4Å; K159-V161 PolarHBondContact O-N 3.05Å; K159-V161 VanDerWaalsContact O-N 3.11Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact N-OE2 2.94Å; V161-L164 PolarHBondContact O-N 3.22Å; V161-F165 HydrophobicContact CG1-CD2 4.39Å; V161-F165 HydrophobicContact CG1-CE2 4.34Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.2Å; V161-F165 PolarHBondContact O-N 3.48Å
162	D	98.2	Very high	97.8	Very high	74 Å²	74	38.9 Å²	38.9	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-67.8	-38.2	179.5	-67.5	-47	0	0	0	110.5	Y27 L164 F165 Q166	Y27-D162 WeakPolarHBondContact CD2-OD1 3.4Å; D162-L164 VanDerWaalsContact C-N 3.35Å; D162-L164 PolarHBondContact O-N 2.63Å; D162-F165 PolarHBondContact O-N 2.96Å; D162-Q166 WeakPolarHBondContact O-CB 3.43Å; D162-Q166 PolarHBondContact O-N 2.99Å
163	E	98.6	Very high	97.5	Very high	102 Å²	102	39.2 Å²	39.2	48%	0.477	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-41.5	177.6	-63.8	85.4	165.5	0	0	112.3	N160 V161 K167	N160-E163 WeakPolarHBondContact CA-OE2 3.43Å; N160-E163 PolarHBondContact N-OE2 3.31Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact N-OE2 2.94Å; E163-K167 VanDerWaalsContact O-CB 3.31Å; E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 PolarHBondContact O-N 3.38Å
164	L	98.8	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-51.1	176.2	170.7	63.7	0	0	0	111.6	L23 V85 Y116 C118 F151 T153 N160 V161 D162 K167 V168	L23-L164 HydrophobicContact CD2-CD2 4.09Å; V85-L164 HydrophobicContact CG1-CD2 3.88Å; Y116-L164 HydrophobicContact CD1-CD1 4.21Å; Y116-L164 HydrophobicContact CG-CD1 4.33Å; C118-L164 HydrophobicContact CB-CD2 4.42Å; F151-L164 HydrophobicContact CB-CD1 4.27Å; F151-L164 HydrophobicContact CD1-CB 4.14Å; F151-L164 HydrophobicContact CD1-CD1 4.33Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.42Å; F151-L164 HydrophobicContact CE2-CD1 3.94Å; F151-L164 HydrophobicContact CG-CB 4.37Å; F151-L164 HydrophobicContact CG-CD1 3.8Å; F151-L164 HydrophobicContact CZ-CD1 4.46Å; T153-L164 HydrophobicContact CG2-CD2 4.21Å; N160-L164 WeakPolarHBondContact O-CB 3.5Å; N160-L164 PolarHBondContact O-N 3.25Å; V161-L164 PolarHBondContact O-N 3.22Å; D162-L164 VanDerWaalsContact C-N 3.35Å; D162-L164 PolarHBondContact O-N 2.63Å; L164-K167 PolarHBondContact O-N 3.33Å; L164-V168 WeakPolarHBondContact O-CG2 3.41Å; L164-V168 PolarHBondContact O-N 3.08Å; L164-V168 VanDerWaalsContact O-N 3.1Å
165	F	98.4	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.3	-30.9	-177.6	-73	-76.6	0	0	0	112.9	M12 L23 Y27 L59 I61 V161 D162 K167 V168 A169	M12-F165 HydrophobicContact CE-CZ 4.39Å; M12-F165 HydrophobicContact SD-CE1 4.33Å; M12-F165 HydrophobicContact SD-CZ 4.14Å; L23-F165 HydrophobicContact CG-CE2 4.27Å; Y27-F165 HydrophobicContact CD1-CB 4.2Å; Y27-F165 HydrophobicContact CD1-CD1 4.02Å; Y27-F165 AromaticContact CD1-CD2 3.58Å; Y27-F165 HydrophobicContact CD1-CD2 3.58Å; Y27-F165 HydrophobicContact CD1-CE1 4.29Å; Y27-F165 AromaticContact CD1-CE2 3.89Å; Y27-F165 HydrophobicContact CD1-CE2 3.89Å; Y27-F165 AromaticContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CZ 4.23Å; Y27-F165 HydrophobicContact CD2-CB 3.91Å; Y27-F165 AromaticContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CE2 4.33Å; Y27-F165 AromaticContact CD2-CG 3.93Å; Y27-F165 HydrophobicContact CD2-CG 3.93Å; Y27-F165 HydrophobicContact CE1-CB 3.78Å; Y27-F165 AromaticContact CE1-CD1 3.97Å; Y27-F165 HydrophobicContact CE1-CD1 3.97Å; Y27-F165 HydrophobicContact CE1-CD2 4.07Å; Y27-F165 AromaticContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE2-CB 3.48Å; Y27-F165 VanDerWaalsContact CE2-CB 3.48Å; Y27-F165 HydrophobicContact CE2-CD2 4.04Å; Y27-F165 AromaticContact CE2-CG 3.97Å; Y27-F165 HydrophobicContact CE2-CG 3.97Å; Y27-F165 HydrophobicContact CG-CB 4.26Å; Y27-F165 AromaticContact CG-CD2 3.29Å; Y27-F165 HydrophobicContact CG-CD2 3.29Å; Y27-F165 AromaticContact CG-CE2 3.68Å; Y27-F165 HydrophobicContact CG-CE2 3.68Å; Y27-F165 AromaticContact CG-CG 3.8Å; Y27-F165 HydrophobicContact CG-CG 3.8Å; Y27-F165 HydrophobicContact CG-CZ 4.45Å; Y27-F165 VanDerWaalsContact CZ-CB 3.41Å; Y27-F165 AromaticContact CZ-CG 3.84Å; L59-F165 HydrophobicContact CD1-CB 4.43Å; L59-F165 HydrophobicContact CD1-CD1 4.33Å; I61-F165 HydrophobicContact CD1-CD1 4.08Å; I61-F165 HydrophobicContact CD1-CE1 3.8Å; I61-F165 HydrophobicContact CD1-CZ 4.46Å; I61-F165 HydrophobicContact CG1-CE1 4.35Å; V161-F165 HydrophobicContact CG1-CD2 4.39Å; V161-F165 HydrophobicContact CG1-CE2 4.34Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.2Å; V161-F165 PolarHBondContact O-N 3.48Å; D162-F165 PolarHBondContact O-N 2.96Å; F165-K167 VanDerWaalsContact C-N 3.34Å; F165-V168 PolarHBondContact O-N 3.32Å; F165-A169 PolarHBondContact O-N 3.02Å; F165-A169 VanDerWaalsContact O-N 3.1Å
166	Q	98.3	Very high	95.4	Very high	55 Å²	55	46.1 Å²	46.1	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-47.2	169.5	-178.1	63.2	31	0	0	110.5	I50 D162 V168 A169 E170	I50-Q166 HydrophobicContact CD1-CB 4.29Å; D162-Q166 WeakPolarHBondContact O-CB 3.43Å; D162-Q166 PolarHBondContact O-N 2.99Å; Q166-V168 VanDerWaalsContact C-N 3.35Å; Q166-V168 PolarHBondContact O-N 2.78Å; Q166-A169 PolarHBondContact O-N 3.14Å; Q166-A169 VanDerWaalsContact O-N 3.14Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.37Å; Q166-E170 PolarHBondContact NE2-OE1 2.84Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.07Å
167	K	98.2	Very high	94.4	Very high	61 Å²	61	47 Å²	47	27%	0.265	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.5	-175	54.6	174.2	154	0	112.7	Y116 F151 E163 L164 F165 A169 E170 D171	Y116-K167 HydrophobicContact CE1-CG 4.1Å; F151-K167 HydrophobicContact CE2-CG 4.49Å; F151-K167 HydrophobicContact CZ-CB 3.99Å; F151-K167 HydrophobicContact CZ-CG 4.01Å; E163-K167 VanDerWaalsContact O-CB 3.31Å; E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 PolarHBondContact O-N 3.38Å; L164-K167 PolarHBondContact O-N 3.33Å; F165-K167 VanDerWaalsContact C-N 3.34Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.17Å; K167-E170 PolarHBondContact O-N 3.15Å; K167-D171 WeakPolarHBondContact CE-OD1 3.32Å; K167-D171 WeakPolarHBondContact CE-OD2 3.13Å; K167-D171 IonicContact NZ-OD1 3.9Å; K167-D171 PolarHBondContact NZ-OD1 3.16Å; K167-D171 IonicContact NZ-OD2 2.71Å; K167-D171 WeakPolarHBondContact O-CB 3.5Å; K167-D171 VanDerWaalsContact O-CG 3.25Å; K167-D171 PolarHBondContact O-N 3.35Å
168	V	97.9	Very high	93.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-45.1	173.3	171.1	0	0	0	0	111.3	V10 L59 A83 V85 Y116 L164 F165 Q166 F172	V10-V168 HydrophobicContact CG2-CG1 3.81Å; L59-V168 HydrophobicContact CD2-CG1 4.46Å; A83-V168 HydrophobicContact CB-CG1 3.71Å; V85-V168 HydrophobicContact CG2-CG2 4.5Å; Y116-V168 HydrophobicContact CD1-CG2 4.19Å; Y116-V168 HydrophobicContact CD2-CG2 3.8Å; Y116-V168 HydrophobicContact CE1-CG2 4.04Å; Y116-V168 HydrophobicContact CE2-CB 4.41Å; Y116-V168 HydrophobicContact CE2-CG2 3.63Å; Y116-V168 HydrophobicContact CG-CG2 4.09Å; L164-V168 WeakPolarHBondContact O-CG2 3.41Å; L164-V168 PolarHBondContact O-N 3.08Å; L164-V168 VanDerWaalsContact O-N 3.1Å; F165-V168 PolarHBondContact O-N 3.32Å; Q166-V168 VanDerWaalsContact C-N 3.35Å; Q166-V168 PolarHBondContact O-N 2.78Å; V168-F172 WeakPolarHBondContact O-CB 3.44Å; V168-F172 PolarHBondContact O-N 3.34Å; V168-F172 VanDerWaalsContact O-N 3.1Å
169	A	97.3	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-42.3	-178.8	0	0	0	0	0	112.5	I50 V52 I57 L59 F165 Q166 K167 F172 S173	I50-A169 HydrophobicContact CD1-CB 3.92Å; I50-A169 HydrophobicContact CG2-CB 3.5Å; V52-A169 HydrophobicContact CG2-CB 3.58Å; I57-A169 WeakPolarHBondContact CD1-O 3.35Å; L59-A169 HydrophobicContact CD1-CB 4.4Å; L59-A169 HydrophobicContact CD2-CB 4.2Å; F165-A169 PolarHBondContact O-N 3.02Å; F165-A169 VanDerWaalsContact O-N 3.1Å; Q166-A169 PolarHBondContact O-N 3.14Å; Q166-A169 VanDerWaalsContact O-N 3.14Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.17Å; A169-F172 PolarHBondContact O-N 2.63Å; A169-S173 PolarHBondContact O-N 3.25Å
170	E	96.5	Very high	90.9	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-48.9	175.1	-75.1	169.5	-177.7	0	0	111.6	V52 Q166 K167 F172 S173 S174	V52-E170 HydrophobicContact CG1-CG 3.89Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.37Å; Q166-E170 PolarHBondContact NE2-OE1 2.84Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.07Å; K167-E170 PolarHBondContact O-N 3.15Å; E170-F172 VanDerWaalsContact C-N 3.28Å; E170-F172 PolarHBondContact O-N 3Å; E170-S173 WeakPolarHBondContact O-CB 3.37Å; E170-S173 PolarHBondContact O-N 3.28Å; E170-S173 VanDerWaalsContact O-N 3.1Å; E170-S174 PolarHBondContact O-N 2.98Å; E170-S174 PolarHBondContact O-OG 2.82Å
171	D	95.7	Very high	89.6	Confident	15 Å²	15	50.5 Å²	50.5	8%	0.08	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-32.7	-179.9	-75	-24.4	0	0	0	112.7	K114 Y116 Q149 K167 S175	K114-D171 HydrophobicContact CD-CB 3.94Å; K114-D171 PolarHBondContact NZ-O 2.85Å; Y116-D171 WeakPolarHBondContact OH-CB 3.04Å; Y116-D171 PolarHBondContact OH-OD2 3.31Å; Q149-D171 PolarHBondContact NE2-OD2 2.88Å; K167-D171 WeakPolarHBondContact CE-OD1 3.32Å; K167-D171 WeakPolarHBondContact CE-OD2 3.13Å; K167-D171 IonicContact NZ-OD1 3.9Å; K167-D171 PolarHBondContact NZ-OD1 3.16Å; K167-D171 IonicContact NZ-OD2 2.71Å; K167-D171 WeakPolarHBondContact O-CB 3.5Å; K167-D171 VanDerWaalsContact O-CG 3.25Å; K167-D171 PolarHBondContact O-N 3.35Å; D171-S175 WeakPolarHBondContact O-CB 3.19Å; D171-S175 PolarHBondContact O-N 2.81Å; D171-S175 PolarHBondContact O-OG 2.82Å
172	F	93.4	Very high	88.2	Confident	47 Å²	47	56.6 Å²	56.6	21%	0.206	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-45.6	171	175.2	-98.6	0	0	0	111.2	D7 A8 I57 R82 V168 A169 E170 S174 S175 A176	D7-F172 HydrophobicContact CB-CE1 3.88Å; D7-F172 HydrophobicContact CB-CZ 4.28Å; D7-F172 WeakPolarHBondContact O-CZ 3.48Å; A8-F172 HydrophobicContact CB-CB 4.29Å; A8-F172 HydrophobicContact CB-CD1 3.89Å; A8-F172 HydrophobicContact CB-CD2 3.64Å; A8-F172 HydrophobicContact CB-CE1 4.11Å; A8-F172 HydrophobicContact CB-CE2 3.86Å; A8-F172 HydrophobicContact CB-CG 3.65Å; A8-F172 HydrophobicContact CB-CZ 4.09Å; I57-F172 HydrophobicContact CD1-CD1 4.26Å; I57-F172 HydrophobicContact CG2-CD1 3.92Å; I57-F172 HydrophobicContact CG2-CE1 4.25Å; R82-F172 HydrophobicContact CB-CD2 4.19Å; R82-F172 HydrophobicContact CB-CE2 4.38Å; R82-F172 HydrophobicContact CG-CD2 4.39Å; R82-F172 HydrophobicContact CG-CE2 4.08Å; V168-F172 WeakPolarHBondContact O-CB 3.44Å; V168-F172 PolarHBondContact O-N 3.34Å; V168-F172 VanDerWaalsContact O-N 3.1Å; A169-F172 PolarHBondContact O-N 2.63Å; E170-F172 VanDerWaalsContact C-N 3.28Å; E170-F172 PolarHBondContact O-N 3Å; F172-S174 PolarHBondContact O-N 2.99Å; F172-S175 PolarHBondContact O-N 3.48Å; F172-A176 WeakPolarHBondContact O-CB 3.49Å; F172-A176 PolarHBondContact O-N 3.03Å
173	S	91.8	Very high	86.8	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-47.5	179.1	-162.8	0	0	0	0	112.1	A169 E170 A176 F177	A169-S173 PolarHBondContact O-N 3.25Å; E170-S173 WeakPolarHBondContact O-CB 3.37Å; E170-S173 PolarHBondContact O-N 3.28Å; E170-S173 VanDerWaalsContact O-N 3.1Å; S173-A176 PolarHBondContact O-N 3.33Å; S173-F177 WeakPolarHBondContact O-CB 3.34Å; S173-F177 PolarHBondContact O-N 3.31Å
174	S	88.5	Confident	85.5	Confident	78 Å²	78	60.2 Å²	60.2	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-43.4	180	-59.9	0	0	0	0	111.7	E170 F172 F177 Q178	E170-S174 PolarHBondContact O-N 2.98Å; E170-S174 PolarHBondContact O-OG 2.82Å; F172-S174 PolarHBondContact O-N 2.99Å; S174-F177 PolarHBondContact O-N 2.9Å; S174-Q178 PolarHBondContact O-N 3.06Å
175	S	83.8	Confident	83.6	Confident	42 Å²	42	63.4 Å²	63.4	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-38	177.9	-70	0	0	0	0	112.6	K114 D171 F172 F177 Q178 L179	K114-S175 PolarHBondContact NZ-OG 3.01Å; D171-S175 WeakPolarHBondContact O-CB 3.19Å; D171-S175 PolarHBondContact O-N 2.81Å; D171-S175 PolarHBondContact O-OG 2.82Å; F172-S175 PolarHBondContact O-N 3.48Å; S175-F177 VanDerWaalsContact C-N 3.32Å; S175-F177 PolarHBondContact O-N 3.13Å; S175-Q178 PolarHBondContact O-N 3.31Å; S175-L179 WeakPolarHBondContact O-CG 3.49Å; S175-L179 PolarHBondContact O-N 3.05Å; S175-L179 VanDerWaalsContact O-N 3.13Å
176	A	78.5	Confident	81.7	Confident	32 Å²	32	68.5 Å²	68.5	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-39.9	174.5	0	0	0	0	0	111.6	F172 S173 L180	F172-A176 WeakPolarHBondContact O-CB 3.49Å; F172-A176 PolarHBondContact O-N 3.03Å; S173-A176 PolarHBondContact O-N 3.33Å; A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 2.98Å; A176-L180 VanDerWaalsContact O-N 3.13Å
177	F	76.1	Confident	79.8	Confident	133 Å²	133	72.4 Å²	72.4	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-66.3	-39.1	177.1	-155.7	-90.5	0	0	0	112.3	S173 S174 S175 L180 A181	S173-F177 WeakPolarHBondContact O-CB 3.34Å; S173-F177 PolarHBondContact O-N 3.31Å; S174-F177 PolarHBondContact O-N 2.9Å; S175-F177 VanDerWaalsContact C-N 3.32Å; S175-F177 PolarHBondContact O-N 3.13Å; F177-L180 PolarHBondContact O-N 2.93Å; F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 3.32Å
178	Q	74.6	Confident	78	Confident	111 Å²	111	75.1 Å²	75.1	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-43.5	178	-168.7	167.2	3	0	0	112.1	S174 S175 L180 A181 E182	S174-Q178 PolarHBondContact O-N 3.06Å; S175-Q178 PolarHBondContact O-N 3.31Å; Q178-L180 VanDerWaalsContact C-N 3.35Å; Q178-L180 PolarHBondContact O-N 2.56Å; Q178-A181 PolarHBondContact O-N 3.2Å; Q178-E182 WeakPolarHBondContact O-CG 3.45Å; Q178-E182 PolarHBondContact O-N 2.94Å
179	L	75	Confident	75.7	Confident	94 Å²	94	77.9 Å²	77.9	49%	0.492	44%	0.441	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174.7	-70.8	168.1	0	0	0	112	S175 E182 E183	S175-L179 WeakPolarHBondContact O-CG 3.49Å; S175-L179 PolarHBondContact O-N 3.05Å; S175-L179 VanDerWaalsContact O-N 3.13Å; L179-E182 PolarHBondContact O-N 3.23Å; L179-E183 WeakPolarHBondContact O-CG 3.19Å; L179-E183 PolarHBondContact O-N 3.19Å
180	L	73.1	Confident	73.3	Confident	97 Å²	97	85.9 Å²	85.9	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-38	175.6	-72.4	169.6	0	0	0	112.3	A176 F177 Q178 E183 T184	A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 2.98Å; A176-L180 VanDerWaalsContact O-N 3.13Å; F177-L180 PolarHBondContact O-N 2.93Å; Q178-L180 VanDerWaalsContact C-N 3.35Å; Q178-L180 PolarHBondContact O-N 2.56Å; L180-E183 PolarHBondContact O-N 3.23Å; L180-T184 WeakPolarHBondContact O-CB 3.3Å; L180-T184 WeakPolarHBondContact O-CG2 3.4Å; L180-T184 PolarHBondContact O-N 3.43Å; L180-T184 PolarHBondContact O-OG1 3.26Å
181	A	69.2	Low	70.7	Confident	10 Å²	10	92 Å²	92	8%	0.083	50%	0.504	C	S	.	.	H	α-helix	trans	-66.5	-40.1	177.2	0	0	0	0	0	111.9	F177 Q178 T184 G185 I186 L188	F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 3.32Å; Q178-A181 PolarHBondContact O-N 3.2Å; A181-T184 WeakPolarHBondContact CA-OG1 3.08Å; A181-T184 PolarHBondContact O-N 2.89Å; A181-T184 PolarHBondContact O-OG1 3.27Å; A181-G185 PolarHBondContact O-N 3.45Å; A181-I186 PolarHBondContact O-N 3.03Å; A181-L188 HydrophobicContact CB-CD1 4.02Å
182	E	69.7	Low	67.9	Low	129 Å²	129	100.9 Å²	100.9	60%	0.603	54%	0.542	S	S	*	.	H	α-helix	trans	-65	-43.1	174.4	-72.5	171.7	-169	0	0	111.7	Q178 L179 T184 G185	Q178-E182 WeakPolarHBondContact O-CG 3.45Å; Q178-E182 PolarHBondContact O-N 2.94Å; L179-E182 PolarHBondContact O-N 3.23Å; E182-T184 VanDerWaalsContact C-N 3.32Å; E182-T184 PolarHBondContact O-N 3.46Å; E182-G185 PolarHBondContact O-N 2.99Å
183	E	69.7	Low	65.1	Low	162 Å²	162	106 Å²	106	76%	0.757	57%	0.571	S	S	*	*	H	α-helix	trans	-66.8	-31.7	175.7	-75	-177.7	171.3	0	0	113.1	L179 L180	L179-E183 WeakPolarHBondContact O-CG 3.19Å; L179-E183 PolarHBondContact O-N 3.19Å; L180-E183 PolarHBondContact O-N 3.23Å
184	T	71.5	Confident	62.5	Low	89 Å²	89	109.1 Å²	109.1	55%	0.546	59%	0.593	S	S	.	*	H	α-helix	trans	-92.7	-2.9	-179.8	55	0	0	0	0	113.9	L180 A181 E182 I186	L180-T184 WeakPolarHBondContact O-CB 3.3Å; L180-T184 WeakPolarHBondContact O-CG2 3.4Å; L180-T184 PolarHBondContact O-N 3.43Å; L180-T184 PolarHBondContact O-OG1 3.26Å; A181-T184 WeakPolarHBondContact CA-OG1 3.08Å; A181-T184 PolarHBondContact O-N 2.89Å; A181-T184 PolarHBondContact O-OG1 3.27Å; E182-T184 VanDerWaalsContact C-N 3.32Å; E182-T184 PolarHBondContact O-N 3.46Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.21Å; T184-I186 WeakPolarHBondContact OG1-CD1 3.32Å
185	G	57.5	Low	60	Low	68 Å²	68	115.8 Å²	115.8	70%	0.701	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.6	24.2	179.2	0	0	0	0	0	114.3	A181 E182 D187	A181-G185 PolarHBondContact O-N 3.45Å; E182-G185 PolarHBondContact O-N 2.99Å; G185-D187 PolarHBondContact O-N 3.29Å
186	I	59.8	Low	57.7	Low	107 Å²	107	123 Å²	123	55%	0.549	63%	0.634	S	S	.	*			trans	-85.3	106.9	179.8	-60.1	175.2	0	0	0	108.7	A181 T184 L188	A181-I186 PolarHBondContact O-N 3.03Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.21Å; T184-I186 WeakPolarHBondContact OG1-CD1 3.32Å; I186-L188 HydrophobicContact CG2-CD2 4.37Å; I186-L188 PolarHBondContact O-N 2.88Å
187	D	57.5	Low	55.8	Low	137 Å²	137	132 Å²	132	73%	0.733	66%	0.663	S	S	*	*			trans	-71.6	108.7	175.1	-174.7	7.1	0	0	0	110.7	G185 G189	G185-D187 PolarHBondContact O-N 3.29Å; D187-G189 PolarHBondContact O-N 3.37Å; D187-G189 WeakPolarHBondContact OD1-CA 3.36Å; D187-G189 PolarHBondContact OD1-N 3.19Å
188	L	60.3	Low	53.8	Low	118 Å²	118	130.3 Å²	130.3	62%	0.618	67%	0.668	S	S	*	*			trans	-82.7	9.4	176.4	-65.6	173	0	0	0	112.8	A181 I186 Q190	A181-L188 HydrophobicContact CB-CD1 4.02Å; I186-L188 HydrophobicContact CG2-CD2 4.37Å; I186-L188 PolarHBondContact O-N 2.88Å; L188-Q190 VanDerWaalsContact C-N 3.35Å; L188-Q190 PolarHBondContact O-N 3.21Å
189	G	51.1	Low	52	Low	59 Å²	59	130.7 Å²	130.7	61%	0.608	68%	0.681	S	S	*	*			trans	-77.3	6.6	-174.3	0	0	0	0	0	117.8	D187	D187-G189 PolarHBondContact O-N 3.37Å; D187-G189 WeakPolarHBondContact OD1-CA 3.36Å; D187-G189 PolarHBondContact OD1-N 3.19Å
190	Q	46	Very low	50.4	Low	169 Å²	169	131.9 Å²	131.9	79%	0.79	70%	0.696	S	S	*	*			trans	-112.2	93.7	176.3	-70.5	-170.5	7.2	0	0	112.4	L188 K192	L188-Q190 VanDerWaalsContact C-N 3.35Å; L188-Q190 PolarHBondContact O-N 3.21Å; Q190-K192 PolarHBondContact O-N 2.82Å
191	K	42.1	Very low	49.1	Very low	204 Å²	204	135.9 Å²	135.9	89%	0.887	71%	0.712	S	S	*	*			trans	-51.6	111	150.6	-85.9	-179.7	173.7	175.6	0	107.2	D193	K191-D193 PolarHBondContact O-N 2.76Å; K191-D193 VanDerWaalsContact O-N 3.07Å
192	K	35.9	Very low	48	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	74%	0.741	S	S	*	*			trans	-65	109	171.9	-82	-177.2	174.6	177.2	0	108.5	Q190	Q190-K192 PolarHBondContact O-N 2.82Å
193	D	34.6	Very low	46.5	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	78%	0.776	S	S	*	*			trans	-53.3	143.5	164.4	-77.4	-43.8	0	0	0	110.6	K191	K191-D193 PolarHBondContact O-N 2.76Å; K191-D193 VanDerWaalsContact O-N 3.07Å
194	S	37.4	Very low	45.4	Very low	98 Å²	98	143.5 Å²	143.5	69%	0.685	78%	0.777	S	S	*	*			trans	-40.3	133.8	177.2	48	0	0	0	0	114.3	F196	S194-F196 PolarHBondContact O-N 3.19Å; S194-F196 VanDerWaalsContact O-N 3.15Å
195	Y	35.9	Very low	44	Very low	218 Å²	218	146.3 Å²	146.3	86%	0.855	79%	0.789	S	S	*	*			trans	-45.1	114.8	155.6	-68.9	-93.7	0	0	0	110.7
196	F	35.6	Very low	43.2	Very low	194 Å²	194	150.7 Å²	150.7	85%	0.851	79%	0.794	S	S	*	*			trans	-132.7	110.5	157.8	-125.4	-90.1	0	0	0	109.5	S194	S194-F196 PolarHBondContact O-N 3.19Å; S194-F196 VanDerWaalsContact O-N 3.15Å
197	Y	38.8	Very low	42.3	Very low	220 Å²	220	153.2 Å²	153.2	86%	0.863	81%	0.808	S	S	*	*			trans	-61.7	129.5	166.2	-94.4	-100.4	0	0	0	109.8
198	S	34.1	Very low	41.3	Very low	98 Å²	98	154.3 Å²	154.3	69%	0.685	81%	0.813	S	S	*	*			trans	-174.8	112	137.8	-168.9	0	0	0	0	110.7
199	C	37.9	Very low	40.1	Very low	119 Å²	119	156.7 Å²	156.7	80%	0.804	83%	0.826	S	S	*	*			trans	-124.7	100.6	156.3	-74.6	0	0	0	0	108.2	H201	C199-H201 PolarHBondContact O-N 3.02Å
200	C	41.5	Very low	39.3	Very low	119 Å²	119	163.6 Å²	163.6	80%	0.804	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-58.6	125	161.4	-58.2	0	0	0	0	109.3
201	H	45.3	Very low	38.7	Very low	181 Å²	181	163.2 Å²	163.2	84%	0.838	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-98.5	122.9	157.7	-84.4	67.3	0	0	0	107.8	C199	C199-H201 PolarHBondContact O-N 3.02Å
202	G	45.1	Very low	38.5	Very low	67 Å²	67	159.8 Å²	159.8	69%	0.691	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-80.3	155.7	170	0	0	0	0	0	112
203	N	39.5	Very low	38.7	Very low	250 Å²	250	156.1 Å²	156.1	100%	1.337	84%	0.839	S	S	*	*			trans	-145.4	0	134	-95.8	-20.9	0	0	0	107.5

Retrieved 203 of 203 residues in 97.5 ms (Link to these results)

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