A0A061IFE4_CRIGR 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 (P35290), UniProt , Accession A0A061IFE4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rab24, 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	37.8	Very low	79.6	Confident	242 Å²	242	81.6 Å²	81.6	100%	1.192	44%	0.44	S	S	*	.				0	115.6	0	-70.4	-176.1	-95.8	0	0	106.8	G3	M1-G3 PolarHBondContact O-N 2.62Å
2	S	48.3	Very low	81.1	Confident	124 Å²	124	74.8 Å²	74.8	87%	0.867	40%	0.404	S	S	*	.			trans	-64.1	103.4	170.8	56.7	0	0	0	0	106.8	Q4	S2-Q4 PolarHBondContact O-N 3.19Å
3	G	61.3	Low	82.4	Confident	68 Å²	68	69.1 Å²	69.1	70%	0.701	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-56.1	132.4	172.8	0	0	0	0	0	108	M1 R5	M1-G3 PolarHBondContact O-N 2.62Å; G3-R5 PolarHBondContact O-N 2.9Å; G3-R5 VanDerWaalsContact O-N 3.16Å
4	Q	68.8	Low	83.4	Confident	144 Å²	144	64.1 Å²	64.1	67%	0.673	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-52.1	126.4	165.7	-94.9	174.5	-17	0	0	107.4	S2 V6	S2-Q4 PolarHBondContact O-N 3.19Å; Q4-V6 PolarHBondContact O-N 2.97Å
5	R	86.3	Confident	84.2	Confident	190 Å²	190	63.2 Å²	63.2	72%	0.717	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-59.8	122.6	175.9	173.8	179.2	162.1	177.5	-4.2	107.7	G3 D7 T58	G3-R5 PolarHBondContact O-N 2.9Å; G3-R5 VanDerWaalsContact O-N 3.16Å; R5-D7 IonicContact CZ-OD1 2.68Å; R5-D7 IonicContact NE-OD1 3.33Å; R5-D7 PolarHBondContact NE-OD1 2.97Å; R5-D7 IonicContact NH2-OD1 3.19Å; R5-D7 PolarHBondContact NH2-OD1 3.17Å; R5-T58 WeakPolarHBondContact O-CB 2.96Å; R5-T58 WeakPolarHBondContact O-CG2 3.34Å; R5-T58 PolarHBondContact O-OG1 2.86Å
6	V	89.8	Confident	84.9	Confident	57 Å²	57	62.5 Å²	62.5	35%	0.345	33%	0.331	S	S	.	.			trans	-104.3	120.4	171.4	170.9	0	0	0	0	107.1	Q4 V8 F45	Q4-V6 PolarHBondContact O-N 2.97Å; V6-V8 WeakPolarHBondContact CG1-O 3.14Å; V6-F45 HydrophobicContact CG2-CE2 4.33Å; V6-F45 HydrophobicContact CG2-CZ 3.85Å
7	D	94.1	Very high	85.5	Confident	28 Å²	28	65.6 Å²	65.6	15%	0.15	34%	0.338	C	S	.	.	S	Bend	trans	-84.7	-42.3	177.4	-61.2	-63.7	0	0	0	110.4	R5 V57 T58 Y172	R5-D7 IonicContact CZ-OD1 2.68Å; R5-D7 IonicContact NE-OD1 3.33Å; R5-D7 PolarHBondContact NE-OD1 2.97Å; R5-D7 IonicContact NH2-OD1 3.19Å; R5-D7 PolarHBondContact NH2-OD1 3.17Å; D7-V57 HydrophobicContact CB-CG1 4.07Å; D7-T58 PolarHBondContact N-O 2.93Å; D7-T58 PolarHBondContact OD2-N 3.18Å; D7-T58 PolarHBondContact OD2-OG1 3.44Å; D7-Y172 HydrophobicContact CB-CE1 3.99Å; D7-Y172 WeakPolarHBondContact O-CE2 3.49Å; D7-Y172 VanDerWaalsContact O-CZ 3.26Å; D7-Y172 PolarHBondContact O-OH 3.11Å
8	V	96.1	Very high	86.2	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.2	-179.1	66.9	0	0	0	0	110.9	V6 V10 V57 T58 L59 G60 K82 Y172	V6-V8 WeakPolarHBondContact CG1-O 3.14Å; V8-V10 HydrophobicContact CG1-CG2 4.39Å; V8-V10 HydrophobicContact CG2-CG2 4.39Å; V8-V57 HydrophobicContact CG1-CG1 4.04Å; V8-T58 PolarHBondContact N-O 2.84Å; V8-L59 HydrophobicContact CG1-CB 4.02Å; V8-L59 HydrophobicContact CG1-CD2 3.88Å; V8-L59 HydrophobicContact CG1-CG 3.54Å; V8-G60 PolarHBondContact O-N 2.79Å; V8-K82 HydrophobicContact CG2-CB 3.94Å; V8-Y172 HydrophobicContact CB-CD1 4.14Å; V8-Y172 HydrophobicContact CB-CD2 3.84Å; V8-Y172 HydrophobicContact CB-CE1 4.4Å; V8-Y172 HydrophobicContact CB-CE2 4.1Å; V8-Y172 HydrophobicContact CB-CG 3.85Å; V8-Y172 HydrophobicContact CG2-CD2 3.71Å; V8-Y172 HydrophobicContact CG2-CE2 4.33Å; V8-Y172 HydrophobicContact CG2-CG 3.89Å
9	K	96.8	Very high	86.8	Confident	44 Å²	44	59.5 Å²	59.5	19%	0.191	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118	171.7	-179.3	176.9	176.8	-178.2	0	109.3	Y77 R79 A81 K82 A83	K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 3.26Å; K9-R79 PolarHBondContact NZ-O 3.21Å; K9-A81 HydrophobicContact CD-CB 4.49Å; K9-A81 HydrophobicContact CG-CB 4.34Å; K9-K82 PolarHBondContact O-N 3.46Å; K9-A83 PolarHBondContact O-N 2.99Å
10	V	98.2	Very high	87.3	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.8	176.1	-172	0	0	0	0	109	V8 L59 G60 I61 W62 A83 I85 V168	V8-V10 HydrophobicContact CG1-CG2 4.39Å; V8-V10 HydrophobicContact CG2-CG2 4.39Å; V10-L59 HydrophobicContact CG2-CB 4.49Å; V10-L59 HydrophobicContact CG2-CD2 3.84Å; V10-G60 PolarHBondContact N-O 2.86Å; V10-I61 HydrophobicContact CB-CG1 4.38Å; V10-I61 WeakPolarHBondContact O-CA 3.46Å; V10-W62 PolarHBondContact O-N 2.99Å; V10-A83 WeakPolarHBondContact CA-O 3.23Å; V10-A83 HydrophobicContact CG1-CB 4.46Å; V10-A83 HydrophobicContact CG2-CB 4.35Å; V10-I85 HydrophobicContact CG1-CD1 4Å; V10-I85 HydrophobicContact CG1-CG1 4.03Å; V10-V168 HydrophobicContact CG2-CG1 3.77Å
11	V	97.8	Very high	87.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132	174.4	66.3	0	0	0	0	110.6	L13 W62 T64 A81 A83 A84 I85	V11-L13 HydrophobicContact CG1-CD1 4.3Å; V11-L13 HydrophobicContact CG1-CG 4.26Å; V11-L13 HydrophobicContact CG2-CD2 3.98Å; V11-L13 HydrophobicContact CG2-CG 4.2Å; V11-W62 HydrophobicContact CG2-CB 4.44Å; V11-T64 HydrophobicContact CG2-CG2 3.65Å; V11-A81 HydrophobicContact CB-CB 4.25Å; V11-A81 HydrophobicContact CG1-CB 3.84Å; V11-A83 PolarHBondContact N-O 2.86Å; V11-A84 HydrophobicContact CG1-CB 3.69Å; V11-A84 WeakPolarHBondContact O-CA 3.32Å; V11-I85 PolarHBondContact O-N 3.06Å
12	M	98.1	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.8	172.7	-48.9	-59.1	-65.2	0	0	108.6	K20 L23 V24 I61 W62 T64 I85 F165	M12-K20 HydrophobicContact CB-CB 4.26Å; M12-K20 HydrophobicContact CB-CD 4.16Å; M12-K20 HydrophobicContact CB-CG 4.48Å; M12-L23 HydrophobicContact CE-CD2 3.8Å; M12-L23 HydrophobicContact CE-CG 4.47Å; M12-V24 HydrophobicContact CE-CG2 4.17Å; M12-V24 HydrophobicContact CG-CG2 3.78Å; M12-V24 HydrophobicContact SD-CG2 4.11Å; M12-I61 HydrophobicContact CG-CG2 3.92Å; M12-I61 HydrophobicContact SD-CG2 3.95Å; M12-W62 PolarHBondContact N-O 2.81Å; M12-T64 WeakPolarHBondContact O-CB 3.01Å; M12-T64 WeakPolarHBondContact O-CG2 3.27Å; M12-T64 PolarHBondContact O-OG1 3.34Å; M12-I85 WeakPolarHBondContact CA-O 3.18Å; M12-I85 HydrophobicContact CE-CB 3.8Å; M12-I85 HydrophobicContact CE-CD1 4.1Å; M12-I85 HydrophobicContact CE-CG2 3.73Å; M12-I85 HydrophobicContact SD-CB 3.86Å; M12-I85 HydrophobicContact SD-CD1 3.86Å; M12-I85 HydrophobicContact SD-CG1 4.27Å; M12-I85 HydrophobicContact SD-CG2 4.46Å; M12-F165 HydrophobicContact CE-CZ 4.34Å; M12-F165 HydrophobicContact SD-CE1 4.45Å; M12-F165 HydrophobicContact SD-CZ 4.34Å
13	L	97.1	Very high	93.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.4	178	-62	175.1	0	0	0	110.5	V11 K20 T64 Y78 I85 V86 C87 W102 L106	V11-L13 HydrophobicContact CG1-CD1 4.3Å; V11-L13 HydrophobicContact CG1-CG 4.26Å; V11-L13 HydrophobicContact CG2-CD2 3.98Å; V11-L13 HydrophobicContact CG2-CG 4.2Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.41Å; L13-T64 HydrophobicContact CD2-CG2 4.45Å; L13-Y78 HydrophobicContact CD1-CD1 4.35Å; L13-Y78 HydrophobicContact CD2-CD1 4.3Å; L13-I85 PolarHBondContact N-O 2.98Å; L13-V86 HydrophobicContact CB-CG1 4.48Å; L13-V86 HydrophobicContact CB-CG2 4.32Å; L13-V86 CarbonylContact O-C 3.43Å; L13-V86 WeakPolarHBondContact O-CA 3.15Å; L13-C87 PolarHBondContact O-N 3.44Å; L13-W102 HydrophobicContact CB-CB 4.19Å; L13-W102 HydrophobicContact CB-CD2 4.49Å; L13-W102 HydrophobicContact CB-CG 4.2Å; L13-W102 HydrophobicContact CD1-CB 4.43Å; L13-W102 HydrophobicContact CD2-CE3 4.3Å; L13-L106 HydrophobicContact CD1-CB 4.45Å; L13-L106 HydrophobicContact CD1-CD2 4.4Å
14	G	97	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	135.4	162	-176.6	0	0	0	0	0	112.5	K20 G66 C87	G14-K20 PolarHBondContact O-NZ 3.38Å; G14-G66 WeakPolarHBondContact O-CA 3.36Å; G14-C87 WeakPolarHBondContact CA-O 3.07Å
15	K	95.9	Very high	96.2	Very high	50 Å²	50	33.3 Å²	33.3	22%	0.217	16%	0.159	C	C	.	.			trans	-54.7	158.3	178.6	-173	-176	169.9	-167.1	0	111.6	V18 K20 D92 S94 R98	K15-V18 HydrophobicContact CB-CG1 3.83Å; K15-V18 VanDerWaalsContact O-CG2 3.23Å; K15-V18 WeakPolarHBondContact O-CG2 3.37Å; K15-K20 PolarHBondContact O-NZ 3.12Å; K15-D92 IonicContact NZ-OD1 3.09Å; K15-D92 IonicContact NZ-OD2 3.88Å; K15-D92 PolarHBondContact NZ-OD2 3.41Å; K15-S94 PolarHBondContact NZ-OG 3.48Å; K15-R98 HydrophobicContact CB-CB 4.05Å; K15-R98 HydrophobicContact CB-CG 4.37Å; K15-R98 HydrophobicContact CD-CG 4.34Å; K15-R98 HydrophobicContact CG-CG 4.43Å
16	E	94.7	Very high	96.8	Very high	52 Å²	52	26 Å²	26	24%	0.243	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	155.2	166.3	51.3	174.2	-169.1	0	0	111.4	V18 N39 G66 S67	E16-V18 PolarHBondContact O-N 3.43Å; E16-N39 PolarHBondContact OE2-ND2 3.22Å; E16-N39 PolarHBondContact OE2-OD1 3.32Å; E16-G66 PolarHBondContact N-O 2.9Å; E16-G66 VanDerWaalsContact N-O 3.13Å; E16-S67 WeakPolarHBondContact OE2-CB 3Å
17	Y	95.3	Very high	97.2	Very high	115 Å²	115	24.1 Å²	24.1	45%	0.451	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	0.1	-179.9	-44.2	-75.5	0	0	0	117.9	G19 Y37 N39 K121	Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 3.46Å; Y17-Y37 AromaticContact CD1-CD1 3.68Å; Y17-Y37 HydrophobicContact CD1-CD1 3.68Å; Y17-Y37 HydrophobicContact CD1-CD2 4.21Å; Y17-Y37 AromaticContact CD1-CE1 3.37Å; Y17-Y37 HydrophobicContact CD1-CE1 3.37Å; Y17-Y37 AromaticContact CD1-CE2 3.94Å; Y17-Y37 HydrophobicContact CD1-CE2 3.94Å; Y17-Y37 HydrophobicContact CD1-CG 4.06Å; Y17-Y37 AromaticContact CD1-CZ 3.49Å; Y17-Y37 VanDerWaalsContact CD1-CZ 3.49Å; Y17-Y37 AromaticContact CE1-CD1 3.28Å; Y17-Y37 HydrophobicContact CE1-CD1 3.28Å; Y17-Y37 AromaticContact CE1-CE1 2.99Å; Y17-Y37 HydrophobicContact CE1-CE1 2.99Å; Y17-Y37 HydrophobicContact CE1-CE2 4.41Å; Y17-Y37 HydrophobicContact CE1-CG 4.08Å; Y17-Y37 AromaticContact CE1-CZ 3.62Å; Y17-Y37 AromaticContact CZ-CE1 3.88Å; Y17-N39 PolarHBondContact OH-ND2 3.39Å; Y17-K121 WeakPolarHBondContact O-CE 3.48Å; Y17-K121 PolarHBondContact O-NZ 3.28Å
18	V	97.5	Very high	97.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.117	C	C	.	.	S	Bend	trans	-66.7	-32.3	176.5	-58.5	0	0	0	0	112	K15 E16 K20 C87 D89 T120 K121	K15-V18 HydrophobicContact CB-CG1 3.83Å; K15-V18 VanDerWaalsContact O-CG2 3.23Å; K15-V18 WeakPolarHBondContact O-CG2 3.37Å; E16-V18 PolarHBondContact O-N 3.43Å; V18-K20 HydrophobicContact CG2-CD 4.49Å; V18-K20 HydrophobicContact CG2-CG 3.76Å; V18-C87 HydrophobicContact CG2-CB 3.71Å; V18-D89 HydrophobicContact CB-CB 4.36Å; V18-D89 HydrophobicContact CG1-CB 4.28Å; V18-T120 WeakPolarHBondContact O-CB 3.38Å; V18-T120 PolarHBondContact O-OG1 2.95Å; V18-K121 WeakPolarHBondContact O-CE 3.4Å
19	G	97.6	Very high	97.4	Very high	14 Å²	14	28.6 Å²	28.6	14%	0.144	14%	0.139	C	C	.	.	S	Bend	trans	120.3	16.5	177.5	0	0	0	0	0	115.4	Y17 T21 S22 L23	Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 3.46Å; G19-T21 PolarHBondContact O-N 2.78Å; G19-S22 PolarHBondContact O-N 3.21Å; G19-L23 WeakPolarHBondContact O-CB 2.93Å; G19-L23 PolarHBondContact O-N 3.38Å
20	K	97.9	Very high	97.4	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-49.7	-54.5	176.5	-59.3	-174	-58.5	-72.1	0	112.6	M12 L13 G14 K15 V18 S22 L23 V24 D63 T64 C87	M12-K20 HydrophobicContact CB-CB 4.26Å; M12-K20 HydrophobicContact CB-CD 4.16Å; M12-K20 HydrophobicContact CB-CG 4.48Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.41Å; G14-K20 PolarHBondContact O-NZ 3.38Å; K15-K20 PolarHBondContact O-NZ 3.12Å; V18-K20 HydrophobicContact CG2-CD 4.49Å; V18-K20 HydrophobicContact CG2-CG 3.76Å; K20-S22 PolarHBondContact O-N 3.04Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 2.79Å; K20-L23 VanDerWaalsContact O-N 3.17Å; K20-V24 WeakPolarHBondContact O-CG2 3.42Å; K20-V24 PolarHBondContact O-N 2.78Å; K20-D63 WeakPolarHBondContact CB-OD1 3.35Å; K20-T64 WeakPolarHBondContact CE-O 3.27Å; K20-C87 HydrophobicContact CG-CB 3.92Å
21	T	97.4	Very high	97.4	Very high	52 Å²	52	38.1 Å²	38.1	32%	0.319	18%	0.183	S	C	.	.	H	α-helix	trans	-61.5	-43.2	179	-47.4	0	0	0	0	111.9	G19 L23 V24 E25 T40 D63	G19-T21 PolarHBondContact O-N 2.78Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.31Å; T21-V24 PolarHBondContact O-N 3.16Å; T21-E25 VanDerWaalsContact O-CB 3.25Å; T21-E25 WeakPolarHBondContact O-CB 3.4Å; T21-E25 PolarHBondContact O-N 2.92Å; T21-T40 PolarHBondContact OG1-OG1 3.37Å; T21-T40 VanDerWaalsContact OG1-OG1 3.1Å; T21-D63 WeakPolarHBondContact CA-OD2 3.46Å; T21-D63 VanDerWaalsContact CB-OD2 3.27Å; T21-D63 WeakPolarHBondContact CB-OD2 3.21Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.25Å; T21-D63 PolarHBondContact OG1-OD2 2.84Å
22	S	98	Very high	97.3	Very high	41 Å²	41	42 Å²	42	29%	0.287	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-35	176.5	-55.6	0	0	0	0	112.7	G19 K20 R26 S155	G19-S22 PolarHBondContact O-N 3.21Å; K20-S22 PolarHBondContact O-N 3.04Å; S22-R26 WeakPolarHBondContact O-CB 3.25Å; S22-R26 PolarHBondContact O-N 3.2Å; S22-S155 WeakPolarHBondContact O-CB 3.27Å
23	L	98.7	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-45.5	177	-176.6	63.2	0	0	0	111.1	M12 G19 K20 T21 R26 Y27 I85 S155 V161 L164 F165	M12-L23 HydrophobicContact CE-CD2 3.8Å; M12-L23 HydrophobicContact CE-CG 4.47Å; G19-L23 WeakPolarHBondContact O-CB 2.93Å; G19-L23 PolarHBondContact O-N 3.38Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 2.79Å; K20-L23 VanDerWaalsContact O-N 3.17Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.31Å; L23-R26 PolarHBondContact O-N 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.49Å; L23-I85 HydrophobicContact CD2-CG2 4.48Å; L23-S155 VanDerWaalsContact CA-OG 3.32Å; L23-S155 WeakPolarHBondContact CA-OG 3.36Å; L23-S155 PolarHBondContact N-OG 2.78Å; L23-V161 HydrophobicContact CD1-CB 4.22Å; L23-V161 HydrophobicContact CD1-CG1 3.82Å; L23-V161 HydrophobicContact CD1-CG2 3.64Å; L23-L164 HydrophobicContact CD2-CD2 4.04Å; L23-F165 HydrophobicContact CG-CE2 4.19Å
24	V	98.3	Very high	96.8	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-43.7	174.4	176.3	0	0	0	0	110.9	M12 K20 T21 R26 Y27 V28 V46 I61 D63	M12-V24 HydrophobicContact CE-CG2 4.17Å; M12-V24 HydrophobicContact CG-CG2 3.78Å; M12-V24 HydrophobicContact SD-CG2 4.11Å; K20-V24 WeakPolarHBondContact O-CG2 3.42Å; K20-V24 PolarHBondContact O-N 2.78Å; T21-V24 PolarHBondContact O-N 3.16Å; V24-R26 PolarHBondContact O-N 2.81Å; V24-Y27 PolarHBondContact O-N 2.93Å; V24-V28 HydrophobicContact CG1-CG2 4.12Å; V24-V28 WeakPolarHBondContact O-CB 3.05Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.49Å; V24-V46 HydrophobicContact CG1-CG1 3.63Å; V24-I61 HydrophobicContact CG1-CG2 4.36Å; V24-I61 HydrophobicContact CG2-CG2 3.85Å; V24-D63 HydrophobicContact CG2-CB 4.3Å
25	E	97.6	Very high	96.3	Very high	32 Å²	32	56.5 Å²	56.5	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-46	178.7	-170	62	-152.9	0	0	111.9	T21 H29 R31 L33	T21-E25 VanDerWaalsContact O-CB 3.25Å; T21-E25 WeakPolarHBondContact O-CB 3.4Å; T21-E25 PolarHBondContact O-N 2.92Å; E25-H29 WeakPolarHBondContact O-CB 3.1Å; E25-H29 PolarHBondContact O-N 2.74Å; E25-H29 IonicContact OE1-CD2 3.44Å; E25-H29 PolarHBondContact OE1-CD2 2.74Å; E25-H29 IonicContact OE1-CG 2.78Å; E25-H29 IonicContact OE2-CD2 3.55Å; E25-R31 HydrophobicContact CG-CG 4.12Å; E25-R31 IonicContact OE1-CZ 3.76Å; E25-R31 IonicContact OE1-NE 3.47Å; E25-R31 PolarHBondContact OE1-NE 3.27Å; E25-R31 IonicContact OE1-NH2 2.81Å; E25-R31 PolarHBondContact OE1-NH2 3.01Å; E25-L33 HydrophobicContact CG-CD1 3.98Å; E25-L33 HydrophobicContact CG-CG 4.03Å
26	R	98.4	Very high	95.7	Very high	36 Å²	36	60.2 Å²	60.2	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-49.4	175.1	173.5	57.7	70.1	-171.6	7.2	110.9	S22 L23 V24 D30 R31 F32 S155 K156 V161	S22-R26 WeakPolarHBondContact O-CB 3.25Å; S22-R26 PolarHBondContact O-N 3.2Å; L23-R26 PolarHBondContact O-N 3.24Å; V24-R26 PolarHBondContact O-N 2.81Å; R26-D30 IonicContact CZ-OD1 2.76Å; R26-D30 PolarHBondContact NH1-O 3.05Å; R26-D30 VanDerWaalsContact NH1-O 3.08Å; R26-D30 IonicContact NH1-OD1 3.9Å; R26-D30 PolarHBondContact NH1-OD1 3.14Å; R26-D30 WeakPolarHBondContact O-CA 3.47Å; R26-D30 PolarHBondContact O-N 3.02Å; R26-R31 WeakPolarHBondContact CA-O 3.32Å; R26-R31 PolarHBondContact N-O 3.07Å; R26-F32 VanDerWaalsContact NH2-CB 3.29Å; R26-S155 PolarHBondContact NE-O 3.15Å; R26-S155 PolarHBondContact NH2-O 2.58Å; R26-K156 PolarHBondContact NH2-O 3.36Å; R26-V161 HydrophobicContact CB-CG1 4.44Å; R26-V161 HydrophobicContact CG-CB 4.24Å; R26-V161 HydrophobicContact CG-CG1 3.99Å; R26-V161 HydrophobicContact CG-CG2 4Å
27	Y	98.4	Very high	95	Very high	19 Å²	19	63 Å²	63	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-44	-177.7	176.2	-117.8	0	0	0	113	L23 V24 K48 I61 D162 F165	L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.49Å; V24-Y27 PolarHBondContact O-N 2.93Å; Y27-K48 HydrophobicContact CE1-CB 4.02Å; Y27-K48 HydrophobicContact CE1-CG 3.77Å; Y27-I61 HydrophobicContact CD1-CD1 3.85Å; Y27-I61 HydrophobicContact CE1-CD1 3.84Å; Y27-D162 WeakPolarHBondContact CD2-OD1 3.29Å; Y27-F165 HydrophobicContact CD1-CB 4.25Å; Y27-F165 AromaticContact CD1-CD1 3.87Å; Y27-F165 HydrophobicContact CD1-CD1 3.87Å; Y27-F165 AromaticContact CD1-CD2 3.66Å; Y27-F165 HydrophobicContact CD1-CD2 3.66Å; Y27-F165 HydrophobicContact CD1-CE1 4.08Å; Y27-F165 AromaticContact CD1-CE2 3.9Å; Y27-F165 HydrophobicContact CD1-CE2 3.9Å; Y27-F165 AromaticContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CZ 4.1Å; Y27-F165 HydrophobicContact CD2-CB 3.84Å; Y27-F165 AromaticContact CD2-CD2 3.5Å; Y27-F165 HydrophobicContact CD2-CD2 3.5Å; Y27-F165 VanDerWaalsContact CD2-CD2 3.5Å; Y27-F165 HydrophobicContact CD2-CE2 4.26Å; Y27-F165 AromaticContact CD2-CG 3.82Å; Y27-F165 HydrophobicContact CD2-CG 3.82Å; Y27-F165 HydrophobicContact CE1-CB 3.84Å; Y27-F165 AromaticContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD2 4.15Å; Y27-F165 HydrophobicContact CE1-CE1 4.41Å; Y27-F165 AromaticContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE2-CB 3.4Å; Y27-F165 VanDerWaalsContact CE2-CB 3.4Å; Y27-F165 HydrophobicContact CE2-CD2 4.01Å; Y27-F165 AromaticContact CE2-CG 3.84Å; Y27-F165 HydrophobicContact CE2-CG 3.84Å; Y27-F165 HydrophobicContact CG-CB 4.24Å; Y27-F165 HydrophobicContact CG-CD1 4.37Å; Y27-F165 AromaticContact CG-CD2 3.3Å; Y27-F165 HydrophobicContact CG-CD2 3.3Å; Y27-F165 AromaticContact CG-CE2 3.63Å; Y27-F165 HydrophobicContact CG-CE2 3.63Å; Y27-F165 AromaticContact CG-CG 3.73Å; Y27-F165 HydrophobicContact CG-CG 3.73Å; Y27-F165 HydrophobicContact CG-CZ 4.29Å; Y27-F165 AromaticContact CZ-CG 3.76Å
28	V	97.6	Very high	94.7	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.115	35%	0.35	C	S	.	.	H	α-helix	trans	-78.3	-42.9	-173.9	177.2	0	0	0	0	111.5	V24 V46 K48	V24-V28 HydrophobicContact CG1-CG2 4.12Å; V24-V28 WeakPolarHBondContact O-CB 3.05Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.49Å; V28-V46 HydrophobicContact CB-CG2 4.48Å; V28-V46 HydrophobicContact CG1-CG2 3.81Å; V28-V46 HydrophobicContact CG2-CG1 3.86Å; V28-V46 HydrophobicContact CG2-CG2 3.95Å; V28-K48 PolarHBondContact O-NZ 3.42Å
29	H	96.8	Very high	94.2	Very high	103 Å²	103	68.6 Å²	68.6	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-115.7	0.4	-166.7	-61.9	-59.9	0	0	0	114.5	E25 R31	E25-H29 WeakPolarHBondContact O-CB 3.1Å; E25-H29 PolarHBondContact O-N 2.74Å; E25-H29 IonicContact OE1-CD2 3.44Å; E25-H29 PolarHBondContact OE1-CD2 2.74Å; E25-H29 IonicContact OE1-CG 2.78Å; E25-H29 IonicContact OE2-CD2 3.55Å; H29-R31 VanDerWaalsContact C-N 3.25Å; H29-R31 HydrophobicContact CB-CG 3.96Å; H29-R31 PolarHBondContact O-N 3.04Å
30	D	97.7	Very high	93.8	Very high	123 Å²	123	69.1 Å²	69.1	66%	0.658	37%	0.367	S	S	*	.	S	Bend	trans	46.4	47.6	-174.7	-169	23.3	0	0	0	113.6	R26	R26-D30 IonicContact CZ-OD1 2.76Å; R26-D30 PolarHBondContact NH1-O 3.05Å; R26-D30 VanDerWaalsContact NH1-O 3.08Å; R26-D30 IonicContact NH1-OD1 3.9Å; R26-D30 PolarHBondContact NH1-OD1 3.14Å; R26-D30 WeakPolarHBondContact O-CA 3.47Å; R26-D30 PolarHBondContact O-N 3.02Å
31	R	96.9	Very high	93.2	Very high	121 Å²	121	74.6 Å²	74.6	46%	0.457	40%	0.396	S	S	.	.			trans	-142.3	156.1	175.2	67.4	-175	-179.6	170.7	2.1	112.7	E25 R26 H29 L33	E25-R31 HydrophobicContact CG-CG 4.12Å; E25-R31 IonicContact OE1-CZ 3.76Å; E25-R31 IonicContact OE1-NE 3.47Å; E25-R31 PolarHBondContact OE1-NE 3.27Å; E25-R31 IonicContact OE1-NH2 2.81Å; E25-R31 PolarHBondContact OE1-NH2 3.01Å; R26-R31 WeakPolarHBondContact CA-O 3.32Å; R26-R31 PolarHBondContact N-O 3.07Å; H29-R31 VanDerWaalsContact C-N 3.25Å; H29-R31 HydrophobicContact CB-CG 3.96Å; H29-R31 PolarHBondContact O-N 3.04Å; R31-L33 HydrophobicContact CG-CD2 4.32Å
32	F	97	Very high	92.7	Very high	83 Å²	83	72.4 Å²	72.4	36%	0.364	38%	0.383	S	S	.	.			trans	-117.9	116.5	170	-178.5	-100.2	0	0	0	108.6	R26 V34 S155 K156	R26-F32 VanDerWaalsContact NH2-CB 3.29Å; F32-V34 HydrophobicContact CD1-CG2 4.11Å; F32-V34 HydrophobicContact CE1-CG2 4.36Å; F32-V34 PolarHBondContact O-N 3.26Å; F32-S155 WeakPolarHBondContact CD2-O 3.48Å; F32-K156 HydrophobicContact CD1-CG 4.34Å; F32-K156 HydrophobicContact CD2-CB 4.3Å; F32-K156 HydrophobicContact CE1-CB 4.46Å; F32-K156 HydrophobicContact CE1-CG 4.33Å; F32-K156 HydrophobicContact CE2-CB 4.25Å; F32-K156 HydrophobicContact CG-CB 4.43Å; F32-K156 HydrophobicContact CZ-CB 4.32Å
33	L	94.4	Very high	92.4	Very high	106 Å²	106	71.6 Å²	71.6	56%	0.555	38%	0.379	S	S	*	.			trans	-78.7	118.8	-177.2	-61.5	177.5	0	0	0	110.1	E25 R31	E25-L33 HydrophobicContact CG-CD1 3.98Å; E25-L33 HydrophobicContact CG-CG 4.03Å; R31-L33 HydrophobicContact CG-CD2 4.32Å
34	V	89.8	Confident	92.2	Very high	138 Å²	138	74.1 Å²	74.1	84%	0.836	40%	0.4	S	S	*	.			trans	-95.8	119.5	172.1	-175.9	0	0	0	0	108.1	F32	F32-V34 HydrophobicContact CD1-CG2 4.11Å; F32-V34 HydrophobicContact CE1-CG2 4.36Å; F32-V34 PolarHBondContact O-N 3.26Å
35	G	87	Confident	92	Very high	60 Å²	60	78.1 Å²	78.1	62%	0.619	42%	0.416	S	S	*	.	S	Bend	trans	164.6	-177	-177.9	0	0	0	0	0	113	Y37	G35-Y37 PolarHBondContact O-N 3.36Å
36	P	82.9	Confident	92	Very high	127 Å²	127	78.2 Å²	78.2	83%	0.825	42%	0.419	S	S	*	.			trans	-62	130.8	175.6	27.4	-33.5	0	0	0	109.7
37	Y	81.1	Confident	91.9	Very high	110 Å²	110	77.7 Å²	77.7	43%	0.431	42%	0.423	S	S	.	.			trans	-68.9	141.5	176.3	168.9	-85.3	0	0	0	111	Y17 G35 N39	Y17-Y37 AromaticContact CD1-CD1 3.68Å; Y17-Y37 HydrophobicContact CD1-CD1 3.68Å; Y17-Y37 HydrophobicContact CD1-CD2 4.21Å; Y17-Y37 AromaticContact CD1-CE1 3.37Å; Y17-Y37 HydrophobicContact CD1-CE1 3.37Å; Y17-Y37 AromaticContact CD1-CE2 3.94Å; Y17-Y37 HydrophobicContact CD1-CE2 3.94Å; Y17-Y37 HydrophobicContact CD1-CG 4.06Å; Y17-Y37 AromaticContact CD1-CZ 3.49Å; Y17-Y37 VanDerWaalsContact CD1-CZ 3.49Å; Y17-Y37 AromaticContact CE1-CD1 3.28Å; Y17-Y37 HydrophobicContact CE1-CD1 3.28Å; Y17-Y37 AromaticContact CE1-CE1 2.99Å; Y17-Y37 HydrophobicContact CE1-CE1 2.99Å; Y17-Y37 HydrophobicContact CE1-CE2 4.41Å; Y17-Y37 HydrophobicContact CE1-CG 4.08Å; Y17-Y37 AromaticContact CE1-CZ 3.62Å; Y17-Y37 AromaticContact CZ-CE1 3.88Å; G35-Y37 PolarHBondContact O-N 3.36Å; Y37-N39 HydrophobicContact CE1-CB 4.14Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.31Å; Y37-N39 VanDerWaalsContact CZ-OD1 3.28Å; Y37-N39 PolarHBondContact OH-OD1 3.1Å
38	Q	87	Confident	91.8	Very high	168 Å²	168	80 Å²	80	79%	0.785	43%	0.433	S	S	*	.			trans	-120.5	129.5	170.8	-65.7	-173.7	-32.1	0	0	109.7	T40	Q38-T40 PolarHBondContact O-N 2.88Å
39	N	88.8	Confident	91.7	Very high	66 Å²	66	83.1 Å²	83.1	35%	0.353	45%	0.452	S	S	.	.			trans	-65.9	127.7	174.6	-93.5	-34.6	0	0	0	110.4	E16 Y17 Y37 I41	E16-N39 PolarHBondContact OE2-ND2 3.22Å; E16-N39 PolarHBondContact OE2-OD1 3.32Å; Y17-N39 PolarHBondContact OH-ND2 3.39Å; Y37-N39 HydrophobicContact CE1-CB 4.14Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.31Å; Y37-N39 VanDerWaalsContact CZ-OD1 3.28Å; Y37-N39 PolarHBondContact OH-OD1 3.1Å; N39-I41 PolarHBondContact O-N 3.24Å
40	T	87.9	Confident	91.6	Very high	25 Å²	25	79.2 Å²	79.2	15%	0.153	43%	0.434	C	S	.	.			trans	-59	129.9	166.1	-51.7	0	0	0	0	109.1	T21 Q38 A65	T21-T40 PolarHBondContact OG1-OG1 3.37Å; T21-T40 VanDerWaalsContact OG1-OG1 3.1Å; Q38-T40 PolarHBondContact O-N 2.88Å; T40-A65 WeakPolarHBondContact O-CB 3.2Å
41	I	85.6	Confident	91.4	Very high	125 Å²	125	77.6 Å²	77.6	64%	0.641	43%	0.431	S	S	*	.			trans	-104.9	123.9	174.7	-60.4	177.1	0	0	0	107.7	N39 A43 Y70	N39-I41 PolarHBondContact O-N 3.24Å; I41-A43 PolarHBondContact O-N 2.9Å; I41-Y70 HydrophobicContact CG2-CE1 4.21Å
42	G	87.8	Confident	91.3	Very high	5 Å²	5	72.6 Å²	72.6	5%	0.052	41%	0.414	C	S	.	.	S	Bend	trans	68.5	-110.9	-176.1	0	0	0	0	0	111.7	A65	G42-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 PolarHBondContact O-N 3.27Å
43	A	91.8	Very high	91	Very high	25 Å²	25	72.1 Å²	72.1	21%	0.207	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	145.5	171.9	0	0	0	0	0	112.2	I41 W62 D63 T64 Y77	I41-A43 PolarHBondContact O-N 2.9Å; A43-W62 HydrophobicContact CB-CE3 4.09Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.26Å; A43-D63 WeakPolarHBondContact CB-O 3.5Å; A43-T64 HydrophobicContact CB-CG2 4.22Å; A43-Y77 HydrophobicContact CB-CD1 3.67Å; A43-Y77 HydrophobicContact CB-CD2 3.78Å; A43-Y77 HydrophobicContact CB-CE1 3.52Å; A43-Y77 HydrophobicContact CB-CE2 3.63Å; A43-Y77 HydrophobicContact CB-CG 3.8Å; A43-Y77 VanDerWaalsContact CB-CZ 3.5Å; A43-Y77 PolarHBondContact N-OH 3.32Å
44	A	93.7	Very high	90.9	Very high	52 Å²	52	75.5 Å²	75.5	43%	0.43	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.5	168.1	0	0	0	0	0	110	W62 D63	A44-W62 CarbonylContact O-C 3.57Å; A44-W62 WeakPolarHBondContact O-CA 3.42Å; A44-D63 HydrophobicContact CB-CB 4.41Å; A44-D63 PolarHBondContact N-O 3.07Å; A44-D63 PolarHBondContact O-N 3.22Å
45	F	94.8	Very high	91	Very high	98 Å²	98	74.3 Å²	74.3	43%	0.43	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136	178.1	172.3	-101.2	0	0	0	110.6	V6 A47 I61 W62	V6-F45 HydrophobicContact CG2-CE2 4.33Å; V6-F45 HydrophobicContact CG2-CZ 3.85Å; F45-A47 HydrophobicContact CE1-CB 4.21Å; F45-A47 HydrophobicContact CZ-CB 4.03Å; F45-I61 WeakPolarHBondContact CA-O 3.49Å; F45-W62 HydrophobicContact CB-CE3 4.43Å; F45-W62 HydrophobicContact CB-CZ3 4.47Å; F45-W62 AromaticContact CD2-CD1 3.98Å; F45-W62 HydrophobicContact CD2-CD2 4.08Å; F45-W62 AromaticContact CD2-CE2 3.64Å; F45-W62 HydrophobicContact CD2-CG 4.3Å; F45-W62 HydrophobicContact CD2-CZ2 4.02Å; F45-W62 AromaticContact CD2-NE1 3.56Å; F45-W62 AromaticContact CE2-NE1 3.83Å; F45-W62 HydrophobicContact CG-CZ2 4.5Å
46	V	96.6	Very high	91.3	Very high	34 Å²	34	75.8 Å²	75.8	21%	0.206	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.3	170.8	65.2	0	0	0	0	110.4	V24 V28 I61	V24-V46 HydrophobicContact CG1-CG1 3.63Å; V28-V46 HydrophobicContact CB-CG2 4.48Å; V28-V46 HydrophobicContact CG1-CG2 3.81Å; V28-V46 HydrophobicContact CG2-CG1 3.86Å; V28-V46 HydrophobicContact CG2-CG2 3.95Å; V46-I61 HydrophobicContact CG1-CB 3.88Å; V46-I61 HydrophobicContact CG1-CD1 4.44Å; V46-I61 HydrophobicContact CG1-CG2 4.48Å; V46-I61 PolarHBondContact N-O 3.31Å; V46-I61 PolarHBondContact O-N 2.8Å
47	A	96.6	Very high	92	Very high	25 Å²	25	70 Å²	70	21%	0.207	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	174.2	0	0	0	0	0	110	F45 T58 L59	F45-A47 HydrophobicContact CE1-CB 4.21Å; F45-A47 HydrophobicContact CZ-CB 4.03Å; A47-T58 HydrophobicContact CB-CG2 4.19Å; A47-L59 CarbonylContact C-O 3.6Å; A47-L59 VanDerWaalsContact CA-O 3.26Å; A47-L59 WeakPolarHBondContact CA-O 3.34Å
48	K	96.3	Very high	92.7	Very high	67 Å²	67	65.5 Å²	65.5	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.5	174.9	-172.4	75.5	168.7	-167	0	109.1	Y27 V28 T58 L59	Y27-K48 HydrophobicContact CE1-CB 4.02Å; Y27-K48 HydrophobicContact CE1-CG 3.77Å; V28-K48 PolarHBondContact O-NZ 3.42Å; K48-T58 WeakPolarHBondContact O-CA 3.34Å; K48-L59 PolarHBondContact N-O 3.14Å; K48-L59 PolarHBondContact O-N 3.19Å
49	V	95.9	Very high	93.2	Very high	85 Å²	85	57.5 Å²	57.5	52%	0.515	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135	173.6	-177.5	0	0	0	0	108.6	T56 V57 T58	V49-T56 HydrophobicContact CG1-CG2 3.33Å; V49-V57 WeakPolarHBondContact CA-O 3.34Å; V49-T58 HydrophobicContact CG2-CG2 4.09Å
50	M	94.3	Very high	93.6	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	162.2	175.2	62.3	175	-68.7	0	0	112	V52 V57 L59 Q166 A169	M50-V52 HydrophobicContact CE-CG2 3.82Å; M50-V57 PolarHBondContact N-O 3.25Å; M50-V57 PolarHBondContact O-N 3.5Å; M50-L59 HydrophobicContact CG-CD1 3.45Å; M50-L59 VanDerWaalsContact CG-CD1 3.45Å; M50-L59 HydrophobicContact SD-CD1 3.23Å; M50-L59 WeakPolarHBondContact SD-CD1 3.46Å; M50-Q166 HydrophobicContact CE-CB 4.48Å; M50-A169 HydrophobicContact CE-CB 3.65Å; M50-A169 HydrophobicContact CG-CB 4.27Å; M50-A169 HydrophobicContact SD-CB 3.38Å; M50-A169 WeakPolarHBondContact SD-CB 3.33Å
51	C	93.4	Very high	94.1	Very high	89 Å²	89	53.1 Å²	53.1	60%	0.601	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.6	177.2	-62.5	0	0	0	0	110.3	R55	C51-R55 WeakPolarHBondContact CA-O 3.08Å
52	V	93.9	Very high	94.7	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	100.9	172.7	179.1	0	0	0	0	107.5	M50 D54 R55 V57 A169 E170 V173	M50-V52 HydrophobicContact CE-CG2 3.82Å; V52-D54 PolarHBondContact O-N 2.72Å; V52-R55 PolarHBondContact N-O 3.39Å; V52-R55 PolarHBondContact O-N 2.81Å; V52-R55 VanDerWaalsContact O-N 3.08Å; V52-V57 HydrophobicContact CG2-CG2 4.35Å; V52-A169 HydrophobicContact CG2-CB 3.59Å; V52-E170 HydrophobicContact CG1-CB 4.43Å; V52-E170 HydrophobicContact CG1-CG 3.72Å; V52-V173 HydrophobicContact CB-CG2 4.12Å; V52-V173 HydrophobicContact CG1-CB 4.21Å; V52-V173 HydrophobicContact CG1-CG1 4.32Å; V52-V173 HydrophobicContact CG1-CG2 4.13Å
53	G	92	Very high	95	Very high	72 Å²	72	50.7 Å²	50.7	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-126.7	-166.3	0	0	0	0	0	110.5	R55	G53-R55 VanDerWaalsContact C-N 3.31Å; G53-R55 PolarHBondContact O-N 3.44Å
54	D	90.9	Very high	95.1	Very high	177 Å²	177	49.5 Å²	49.5	95%	0.947	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	3.3	179.8	-58.6	-34.5	0	0	0	114	V52	V52-D54 PolarHBondContact O-N 2.72Å
55	R	93.1	Very high	95	Very high	113 Å²	113	47.1 Å²	47.1	43%	0.426	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.8	-178.4	-65	-173.1	-177.7	178.1	0.3	111.4	C51 V52 G53 V173	C51-R55 WeakPolarHBondContact CA-O 3.08Å; V52-R55 PolarHBondContact N-O 3.39Å; V52-R55 PolarHBondContact O-N 2.81Å; V52-R55 VanDerWaalsContact O-N 3.08Å; G53-R55 VanDerWaalsContact C-N 3.31Å; G53-R55 PolarHBondContact O-N 3.44Å; R55-V173 PolarHBondContact NH1-O 2.67Å
56	T	93.9	Very high	94.4	Very high	92 Å²	92	42.8 Å²	42.8	56%	0.564	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.6	165.5	-54.8	0	0	0	0	109.4	V49	V49-T56 HydrophobicContact CG1-CG2 3.33Å
57	V	95.7	Very high	94	Very high	4 Å²	4	42 Å²	42	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.5	-179.3	-177	0	0	0	0	109	D7 V8 V49 M50 V52 Y172 V173	D7-V57 HydrophobicContact CB-CG1 4.07Å; V8-V57 HydrophobicContact CG1-CG1 4.04Å; V49-V57 WeakPolarHBondContact CA-O 3.34Å; M50-V57 PolarHBondContact N-O 3.25Å; M50-V57 PolarHBondContact O-N 3.5Å; V52-V57 HydrophobicContact CG2-CG2 4.35Å; V57-Y172 HydrophobicContact CG1-CD1 3.98Å; V57-Y172 HydrophobicContact CG1-CE1 4.18Å; V57-V173 HydrophobicContact CG2-CG2 3.48Å; V57-V173 VanDerWaalsContact CG2-CG2 3.48Å
58	T	96.9	Very high	93.4	Very high	16 Å²	16	47 Å²	47	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112	172.6	-49	0	0	0	0	110.3	R5 D7 V8 A47 K48 V49	R5-T58 WeakPolarHBondContact O-CB 2.96Å; R5-T58 WeakPolarHBondContact O-CG2 3.34Å; R5-T58 PolarHBondContact O-OG1 2.86Å; D7-T58 PolarHBondContact N-O 2.93Å; D7-T58 PolarHBondContact OD2-N 3.18Å; D7-T58 PolarHBondContact OD2-OG1 3.44Å; V8-T58 PolarHBondContact N-O 2.84Å; A47-T58 HydrophobicContact CB-CG2 4.19Å; K48-T58 WeakPolarHBondContact O-CA 3.34Å; V49-T58 HydrophobicContact CG2-CG2 4.09Å
59	L	97.7	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.4	170.3	-60.1	100.1	0	0	0	109.7	V8 V10 A47 K48 M50 I61 V168 A169	V8-L59 HydrophobicContact CG1-CB 4.02Å; V8-L59 HydrophobicContact CG1-CD2 3.88Å; V8-L59 HydrophobicContact CG1-CG 3.54Å; V10-L59 HydrophobicContact CG2-CB 4.49Å; V10-L59 HydrophobicContact CG2-CD2 3.84Å; A47-L59 CarbonylContact C-O 3.6Å; A47-L59 VanDerWaalsContact CA-O 3.26Å; A47-L59 WeakPolarHBondContact CA-O 3.34Å; K48-L59 PolarHBondContact N-O 3.14Å; K48-L59 PolarHBondContact O-N 3.19Å; M50-L59 HydrophobicContact CG-CD1 3.45Å; M50-L59 VanDerWaalsContact CG-CD1 3.45Å; M50-L59 HydrophobicContact SD-CD1 3.23Å; M50-L59 WeakPolarHBondContact SD-CD1 3.46Å; L59-I61 HydrophobicContact CB-CD1 4.46Å; L59-I61 HydrophobicContact CB-CG1 4.1Å; L59-V168 HydrophobicContact CD2-CB 4.41Å; L59-V168 HydrophobicContact CD2-CG1 3.92Å; L59-A169 HydrophobicContact CD1-CB 4.39Å
60	G	97.7	Very high	92.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.4	165.5	0	0	0	0	0	109.4	V8 V10	V8-G60 PolarHBondContact O-N 2.79Å; V10-G60 PolarHBondContact N-O 2.86Å
61	I	98.1	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.3	-174.6	-55.5	166.5	0	0	0	109.1	V10 M12 V24 Y27 F45 V46 L59 F165	V10-I61 HydrophobicContact CB-CG1 4.38Å; V10-I61 WeakPolarHBondContact O-CA 3.46Å; M12-I61 HydrophobicContact CG-CG2 3.92Å; M12-I61 HydrophobicContact SD-CG2 3.95Å; V24-I61 HydrophobicContact CG1-CG2 4.36Å; V24-I61 HydrophobicContact CG2-CG2 3.85Å; Y27-I61 HydrophobicContact CD1-CD1 3.85Å; Y27-I61 HydrophobicContact CE1-CD1 3.84Å; F45-I61 WeakPolarHBondContact CA-O 3.49Å; V46-I61 HydrophobicContact CG1-CB 3.88Å; V46-I61 HydrophobicContact CG1-CD1 4.44Å; V46-I61 HydrophobicContact CG1-CG2 4.48Å; V46-I61 PolarHBondContact N-O 3.31Å; V46-I61 PolarHBondContact O-N 2.8Å; L59-I61 HydrophobicContact CB-CD1 4.46Å; L59-I61 HydrophobicContact CB-CG1 4.1Å; I61-F165 HydrophobicContact CD1-CD1 4.04Å; I61-F165 HydrophobicContact CD1-CE1 3.65Å; I61-F165 HydrophobicContact CD1-CZ 4.4Å; I61-F165 HydrophobicContact CG1-CE1 4.26Å
62	W	96.8	Very high	91.6	Very high	71 Å²	71	52.5 Å²	52.5	27%	0.269	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	100.4	176	-69.5	79.1	0	0	0	109.6	V10 V11 M12 A43 A44 F45 T64 Y77	V10-W62 PolarHBondContact O-N 2.99Å; V11-W62 HydrophobicContact CG2-CB 4.44Å; M12-W62 PolarHBondContact N-O 2.81Å; A43-W62 HydrophobicContact CB-CE3 4.09Å; A44-W62 CarbonylContact O-C 3.57Å; A44-W62 WeakPolarHBondContact O-CA 3.42Å; F45-W62 HydrophobicContact CB-CE3 4.43Å; F45-W62 HydrophobicContact CB-CZ3 4.47Å; F45-W62 AromaticContact CD2-CD1 3.98Å; F45-W62 HydrophobicContact CD2-CD2 4.08Å; F45-W62 AromaticContact CD2-CE2 3.64Å; F45-W62 HydrophobicContact CD2-CG 4.3Å; F45-W62 HydrophobicContact CD2-CZ2 4.02Å; F45-W62 AromaticContact CD2-NE1 3.56Å; F45-W62 AromaticContact CE2-NE1 3.83Å; F45-W62 HydrophobicContact CG-CZ2 4.5Å; W62-T64 PolarHBondContact O-N 2.86Å; W62-Y77 HydrophobicContact CD2-CD1 4.44Å; W62-Y77 AromaticContact CE3-CD1 3.49Å; W62-Y77 HydrophobicContact CE3-CD1 3.49Å; W62-Y77 VanDerWaalsContact CE3-CD1 3.49Å; W62-Y77 AromaticContact CE3-CE1 3.96Å; W62-Y77 HydrophobicContact CE3-CE1 3.96Å; W62-Y77 HydrophobicContact CE3-CG 4.43Å; W62-Y77 AromaticContact CZ3-CD1 3.63Å; W62-Y77 HydrophobicContact CZ3-CD1 3.63Å; W62-Y77 AromaticContact CZ3-CE1 3.73Å; W62-Y77 HydrophobicContact CZ3-CE1 3.73Å
63	D	95.8	Very high	91.2	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	110.4	172.1	179.9	33.1	0	0	0	109.9	K20 T21 V24 A43 A44	K20-D63 WeakPolarHBondContact CB-OD1 3.35Å; T21-D63 WeakPolarHBondContact CA-OD2 3.46Å; T21-D63 VanDerWaalsContact CB-OD2 3.27Å; T21-D63 WeakPolarHBondContact CB-OD2 3.21Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.25Å; T21-D63 PolarHBondContact OG1-OD2 2.84Å; V24-D63 HydrophobicContact CG2-CB 4.3Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.26Å; A43-D63 WeakPolarHBondContact CB-O 3.5Å; A44-D63 HydrophobicContact CB-CB 4.41Å; A44-D63 PolarHBondContact N-O 3.07Å; A44-D63 PolarHBondContact O-N 3.22Å
64	T	93.4	Very high	90.8	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152	-174.2	71.5	0	0	0	0	113	V11 M12 L13 K20 A43 W62 G66 Y77	V11-T64 HydrophobicContact CG2-CG2 3.65Å; M12-T64 WeakPolarHBondContact O-CB 3.01Å; M12-T64 WeakPolarHBondContact O-CG2 3.27Å; M12-T64 PolarHBondContact O-OG1 3.34Å; L13-T64 HydrophobicContact CD2-CG2 4.45Å; K20-T64 WeakPolarHBondContact CE-O 3.27Å; A43-T64 HydrophobicContact CB-CG2 4.22Å; W62-T64 PolarHBondContact O-N 2.86Å; T64-G66 PolarHBondContact O-N 2.96Å; T64-Y77 HydrophobicContact CG2-CD2 4.22Å; T64-Y77 HydrophobicContact CG2-CG 4.27Å
65	A	90.6	Very high	90.6	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	23%	0.233	C	C	.	.			trans	-60.8	131.3	168.6	0	0	0	0	0	111	T40 G42 Y70	T40-A65 WeakPolarHBondContact O-CB 3.2Å; G42-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 PolarHBondContact O-N 3.27Å; A65-Y70 HydrophobicContact CB-CD2 3.6Å; A65-Y70 HydrophobicContact CB-CE2 4.49Å; A65-Y70 HydrophobicContact CB-CG 3.96Å
66	G	83.7	Confident	90.5	Very high	7 Å²	7	50 Å²	50	7%	0.072	24%	0.244	C	C	.	.			trans	-94.8	-6.4	-177.2	0	0	0	0	0	115.7	G14 E16 T64	G14-G66 WeakPolarHBondContact O-CA 3.36Å; E16-G66 PolarHBondContact N-O 2.9Å; E16-G66 VanDerWaalsContact N-O 3.13Å; T64-G66 PolarHBondContact O-N 2.96Å
67	S	87.4	Confident	90.3	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	22%	0.224	C	C	.	.	S	Bend	trans	-77.2	143.6	-179	79.2	0	0	0	0	110.7	E16 R69 Y70	E16-S67 WeakPolarHBondContact OE2-CB 3Å; S67-R69 PolarHBondContact O-N 3.43Å; S67-R69 VanDerWaalsContact O-N 3.13Å; S67-Y70 PolarHBondContact O-N 3.42Å; S67-Y70 WeakPolarHBondContact OG-CD2 3.45Å
68	E	83.9	Confident	90	Very high	132 Å²	132	47.4 Å²	47.4	62%	0.617	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-53.8	-33.4	175.9	-78	170.9	-170.8	0	0	113.5	Y70 E71 R98	E68-Y70 PolarHBondContact O-N 3.45Å; E68-E71 WeakPolarHBondContact O-CB 3.38Å; E68-E71 PolarHBondContact O-N 2.94Å; E68-R98 IonicContact OE1-CZ 2.78Å; E68-R98 IonicContact OE1-NE 3.57Å; E68-R98 PolarHBondContact OE1-NE 2.8Å; E68-R98 IonicContact OE1-NH1 2.81Å; E68-R98 IonicContact OE1-NH2 3.21Å
69	R	87.3	Confident	89.8	Confident	213 Å²	213	55.8 Å²	55.8	80%	0.804	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-55.3	-27.7	176.4	-179.3	178.7	175.1	-164.6	-2	113.7	S67	S67-R69 PolarHBondContact O-N 3.43Å; S67-R69 VanDerWaalsContact O-N 3.13Å
70	Y	85.4	Confident	89.6	Confident	41 Å²	41	57.5 Å²	57.5	16%	0.161	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-105.6	7.5	-179	-58.3	-61.5	0	0	0	113	I41 A65 S67 E68 A72 M73 S74	I41-Y70 HydrophobicContact CG2-CE1 4.21Å; A65-Y70 HydrophobicContact CB-CD2 3.6Å; A65-Y70 HydrophobicContact CB-CE2 4.49Å; A65-Y70 HydrophobicContact CB-CG 3.96Å; S67-Y70 PolarHBondContact O-N 3.42Å; S67-Y70 WeakPolarHBondContact OG-CD2 3.45Å; E68-Y70 PolarHBondContact O-N 3.45Å; Y70-A72 VanDerWaalsContact C-N 3.32Å; Y70-A72 PolarHBondContact O-N 3.34Å; Y70-M73 HydrophobicContact CD1-SD 3.83Å; Y70-M73 WeakPolarHBondContact O-CA 3.38Å; Y70-M73 VanDerWaalsContact O-CB 3.29Å; Y70-M73 WeakPolarHBondContact O-CB 3.45Å; Y70-M73 PolarHBondContact O-N 3.39Å; Y70-S74 PolarHBondContact O-N 2.83Å
71	E	85.1	Confident	89.5	Confident	46 Å²	46	57.6 Å²	57.6	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-39.1	-172.8	-177.9	175.6	118.8	0	0	113.6	E68 M73 S74 R98 F101 W102	E68-E71 WeakPolarHBondContact O-CB 3.38Å; E68-E71 PolarHBondContact O-N 2.94Å; E71-M73 PolarHBondContact O-N 3.07Å; E71-S74 VanDerWaalsContact O-CB 3.32Å; E71-S74 WeakPolarHBondContact O-CB 3.43Å; E71-S74 PolarHBondContact O-N 2.84Å; E71-S74 VanDerWaalsContact O-N 3.1Å; E71-R98 IonicContact OE2-CZ 2.61Å; E71-R98 IonicContact OE2-NH1 2.74Å; E71-R98 PolarHBondContact OE2-NH1 3.43Å; E71-R98 IonicContact OE2-NH2 3.62Å; E71-R98 PolarHBondContact OE2-NH2 2.93Å; E71-F101 HydrophobicContact CG-CE1 4.05Å; E71-F101 HydrophobicContact CG-CZ 4.25Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.5Å; E71-F101 WeakPolarHBondContact OE2-CE1 3.23Å; E71-W102 HydrophobicContact CB-CH2 4.09Å; E71-W102 HydrophobicContact CG-CH2 3.65Å; E71-W102 HydrophobicContact CG-CZ2 4.42Å; E71-W102 HydrophobicContact CG-CZ3 4.05Å
72	A	85	Confident	89.4	Confident	76 Å²	76	63.6 Å²	63.6	63%	0.628	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-29.3	174.9	0	0	0	0	0	112.8	Y70	Y70-A72 VanDerWaalsContact C-N 3.32Å; Y70-A72 PolarHBondContact O-N 3.34Å
73	M	85.9	Confident	89.5	Confident	75 Å²	75	60.4 Å²	60.4	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-75.4	-29.4	177.6	-57.8	-178	71.9	0	0	111.9	Y70 E71 R75 I76 Y77	Y70-M73 HydrophobicContact CD1-SD 3.83Å; Y70-M73 WeakPolarHBondContact O-CA 3.38Å; Y70-M73 VanDerWaalsContact O-CB 3.29Å; Y70-M73 WeakPolarHBondContact O-CB 3.45Å; Y70-M73 PolarHBondContact O-N 3.39Å; E71-M73 PolarHBondContact O-N 3.07Å; M73-R75 PolarHBondContact O-N 3.22Å; M73-R75 VanDerWaalsContact O-N 3.14Å; M73-I76 WeakPolarHBondContact O-CB 3.44Å; M73-I76 PolarHBondContact O-N 3.2Å; M73-Y77 HydrophobicContact CB-CE2 4.07Å; M73-Y77 VanDerWaalsContact O-CD2 3.25Å; M73-Y77 WeakPolarHBondContact O-CD2 3.27Å
74	S	82.9	Confident	89.6	Confident	2 Å²	2	60 Å²	60	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-55.9	-32.8	179	-58.2	0	0	0	0	112.5	Y70 E71 I76 Y77 Y78 W102	Y70-S74 PolarHBondContact O-N 2.83Å; E71-S74 VanDerWaalsContact O-CB 3.32Å; E71-S74 WeakPolarHBondContact O-CB 3.43Å; E71-S74 PolarHBondContact O-N 2.84Å; E71-S74 VanDerWaalsContact O-N 3.1Å; S74-I76 PolarHBondContact O-N 2.83Å; S74-Y77 PolarHBondContact O-N 3.05Å; S74-Y78 WeakPolarHBondContact O-CD1 3.39Å; S74-Y78 WeakPolarHBondContact O-CE1 3.39Å; S74-Y78 PolarHBondContact O-N 2.94Å; S74-Y78 VanDerWaalsContact O-N 3.07Å; S74-W102 VanDerWaalsContact CB-CZ3 3.49Å; S74-W102 VanDerWaalsContact OG-CH2 3.27Å; S74-W102 WeakPolarHBondContact OG-CH2 3.47Å
75	R	86.4	Confident	89.9	Confident	122 Å²	122	60 Å²	60	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-36.2	177	-51.9	-156.1	167	131.7	-2.1	113.7	M73 Y77 Y78 E105	M73-R75 PolarHBondContact O-N 3.22Å; M73-R75 VanDerWaalsContact O-N 3.14Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; R75-Y78 VanDerWaalsContact CA-CZ 3.42Å; R75-Y78 HydrophobicContact CB-CE2 4.35Å; R75-Y78 HydrophobicContact CG-CE1 4.44Å; R75-Y78 VanDerWaalsContact CG-OH 3.31Å; R75-Y78 WeakPolarHBondContact CG-OH 3.36Å; R75-E105 IonicContact CZ-OE2 3.59Å; R75-E105 IonicContact NE-OE2 3.06Å; R75-E105 PolarHBondContact NE-OE2 2.84Å; R75-E105 IonicContact NH2-OE2 3.69Å; R75-E105 PolarHBondContact NH2-OE2 3.38Å
76	I	90.1	Very high	90.2	Very high	126 Å²	126	59.9 Å²	59.9	65%	0.646	28%	0.283	S	S	*	.	H	α-helix	trans	-70.9	-36.4	178.7	-58.5	171.9	0	0	0	109.8	M73 S74	M73-I76 WeakPolarHBondContact O-CB 3.44Å; M73-I76 PolarHBondContact O-N 3.2Å; S74-I76 PolarHBondContact O-N 2.83Å
77	Y	90.2	Very high	91	Very high	40 Å²	40	59.6 Å²	59.6	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-78.5	-38.7	-174.4	-62.3	-58.3	0	0	0	113.6	K9 A43 W62 T64 M73 S74 R75 R79	K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 3.26Å; A43-Y77 HydrophobicContact CB-CD1 3.67Å; A43-Y77 HydrophobicContact CB-CD2 3.78Å; A43-Y77 HydrophobicContact CB-CE1 3.52Å; A43-Y77 HydrophobicContact CB-CE2 3.63Å; A43-Y77 HydrophobicContact CB-CG 3.8Å; A43-Y77 VanDerWaalsContact CB-CZ 3.5Å; A43-Y77 PolarHBondContact N-OH 3.32Å; W62-Y77 HydrophobicContact CD2-CD1 4.44Å; W62-Y77 AromaticContact CE3-CD1 3.49Å; W62-Y77 HydrophobicContact CE3-CD1 3.49Å; W62-Y77 VanDerWaalsContact CE3-CD1 3.49Å; W62-Y77 AromaticContact CE3-CE1 3.96Å; W62-Y77 HydrophobicContact CE3-CE1 3.96Å; W62-Y77 HydrophobicContact CE3-CG 4.43Å; W62-Y77 AromaticContact CZ3-CD1 3.63Å; W62-Y77 HydrophobicContact CZ3-CD1 3.63Å; W62-Y77 AromaticContact CZ3-CE1 3.73Å; W62-Y77 HydrophobicContact CZ3-CE1 3.73Å; T64-Y77 HydrophobicContact CG2-CD2 4.22Å; T64-Y77 HydrophobicContact CG2-CG 4.27Å; M73-Y77 HydrophobicContact CB-CE2 4.07Å; M73-Y77 VanDerWaalsContact O-CD2 3.25Å; M73-Y77 WeakPolarHBondContact O-CD2 3.27Å; S74-Y77 PolarHBondContact O-N 3.05Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; Y77-R79 VanDerWaalsContact C-N 3.33Å
78	Y	90.5	Very high	91.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-80.9	-11.5	177.9	57.6	-119.4	0	0	0	114.1	L13 S74 R75 G80 A81 L106 L109 E110	L13-Y78 HydrophobicContact CD1-CD1 4.35Å; L13-Y78 HydrophobicContact CD2-CD1 4.3Å; S74-Y78 WeakPolarHBondContact O-CD1 3.39Å; S74-Y78 WeakPolarHBondContact O-CE1 3.39Å; S74-Y78 PolarHBondContact O-N 2.94Å; S74-Y78 VanDerWaalsContact O-N 3.07Å; R75-Y78 VanDerWaalsContact CA-CZ 3.42Å; R75-Y78 HydrophobicContact CB-CE2 4.35Å; R75-Y78 HydrophobicContact CG-CE1 4.44Å; R75-Y78 VanDerWaalsContact CG-OH 3.31Å; R75-Y78 WeakPolarHBondContact CG-OH 3.36Å; Y78-G80 PolarHBondContact O-N 2.99Å; Y78-A81 WeakPolarHBondContact O-CB 3.36Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-L106 HydrophobicContact CD1-CD1 4.46Å; Y78-L106 HydrophobicContact CD2-CD1 3.98Å; Y78-L106 HydrophobicContact CG-CD1 3.84Å; Y78-L109 HydrophobicContact CE2-CB 3.95Å; Y78-L109 HydrophobicContact CE2-CD1 3.58Å; Y78-L109 HydrophobicContact CE2-CG 4.36Å; Y78-L109 WeakPolarHBondContact OH-CD1 3.37Å; Y78-E110 HydrophobicContact CD2-CG 4.29Å
79	R	91.6	Very high	92.2	Very high	193 Å²	193	53.1 Å²	53.1	73%	0.728	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	125.5	176.1	-175.8	176.9	176.9	141.5	0.4	111.6	K9 Y77 A81 E110	K9-R79 PolarHBondContact NZ-O 3.21Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; R79-A81 PolarHBondContact O-N 3.47Å; R79-E110 VanDerWaalsContact CA-OE1 3.23Å; R79-E110 WeakPolarHBondContact CA-OE1 3.49Å
80	G	92.9	Very high	92.7	Very high	35 Å²	35	43 Å²	43	36%	0.361	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	11.6	-175.9	0	0	0	0	0	115.2	Y78 E110	Y78-G80 PolarHBondContact O-N 2.99Å; G80-E110 PolarHBondContact N-OE1 3.27Å; G80-E110 PolarHBondContact N-OE2 2.85Å
81	A	96.3	Very high	93.4	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	21%	0.213	C	C	.	.			trans	-66.3	133.8	172.9	0	0	0	0	0	110.1	K9 V11 Y78 R79 C113	K9-A81 HydrophobicContact CD-CB 4.49Å; K9-A81 HydrophobicContact CG-CB 4.34Å; V11-A81 HydrophobicContact CB-CB 4.25Å; V11-A81 HydrophobicContact CG1-CB 3.84Å; Y78-A81 WeakPolarHBondContact O-CB 3.36Å; Y78-A81 PolarHBondContact O-N 2.94Å; R79-A81 PolarHBondContact O-N 3.47Å; A81-C113 PolarHBondContact O-SG 2.96Å
82	K	96.3	Very high	94	Very high	127 Å²	127	42.7 Å²	42.7	55%	0.552	21%	0.214	S	C	*	.	S	Bend	trans	-90.2	-27.4	176.7	-60.3	-55.4	-177	-175.7	0	111.8	V8 K9 Q114	V8-K82 HydrophobicContact CG2-CB 3.94Å; K9-K82 PolarHBondContact O-N 3.46Å; K82-Q114 PolarHBondContact O-N 2.61Å
83	A	98.3	Very high	94.6	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.8	173.4	0	0	0	0	0	111	K9 V10 V11 C113 Q114 Y116 V168	K9-A83 PolarHBondContact O-N 2.99Å; V10-A83 WeakPolarHBondContact CA-O 3.23Å; V10-A83 HydrophobicContact CG1-CB 4.46Å; V10-A83 HydrophobicContact CG2-CB 4.35Å; V11-A83 PolarHBondContact N-O 2.86Å; A83-C113 VanDerWaalsContact C-SG 3.54Å; A83-Q114 CarbonylContact C-O 3.59Å; A83-Q114 VanDerWaalsContact CA-O 3.25Å; A83-Q114 WeakPolarHBondContact CA-O 3.39Å; A83-Y116 HydrophobicContact CB-CD2 4.42Å; A83-Y116 HydrophobicContact CB-CE2 3.93Å; A83-V168 HydrophobicContact CB-CG1 3.73Å
84	A	98.4	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	170.5	0	0	0	0	0	109.9	V11 V86 L106 Q114 Y116	V11-A84 HydrophobicContact CG1-CB 3.69Å; V11-A84 WeakPolarHBondContact O-CA 3.32Å; A84-V86 HydrophobicContact CB-CG2 4.34Å; A84-L106 HydrophobicContact CB-CD2 3.33Å; A84-Q114 PolarHBondContact N-O 3.02Å; A84-Y116 PolarHBondContact O-N 2.83Å
85	I	98.8	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.9	169	-58.5	174.7	0	0	0	106.5	V10 V11 M12 L13 L23 Y116 C118 L164 F165 V168	V10-I85 HydrophobicContact CG1-CD1 4Å; V10-I85 HydrophobicContact CG1-CG1 4.03Å; V11-I85 PolarHBondContact O-N 3.06Å; M12-I85 WeakPolarHBondContact CA-O 3.18Å; M12-I85 HydrophobicContact CE-CB 3.8Å; M12-I85 HydrophobicContact CE-CD1 4.1Å; M12-I85 HydrophobicContact CE-CG2 3.73Å; M12-I85 HydrophobicContact SD-CB 3.86Å; M12-I85 HydrophobicContact SD-CD1 3.86Å; M12-I85 HydrophobicContact SD-CG1 4.27Å; M12-I85 HydrophobicContact SD-CG2 4.46Å; L13-I85 PolarHBondContact N-O 2.98Å; L23-I85 HydrophobicContact CD2-CG2 4.48Å; I85-Y116 CarbonylContact C-O 3.54Å; I85-Y116 WeakPolarHBondContact CA-O 3.45Å; I85-C118 HydrophobicContact CG2-CB 3.73Å; I85-L164 HydrophobicContact CD1-CD1 4.46Å; I85-L164 HydrophobicContact CD1-CD2 4.11Å; I85-L164 HydrophobicContact CD1-CG 4.14Å; I85-L164 HydrophobicContact CG2-CD2 3.97Å; I85-F165 HydrophobicContact CD1-CD1 4.01Å; I85-F165 HydrophobicContact CD1-CE1 3.53Å; I85-F165 HydrophobicContact CD1-CZ 3.85Å; I85-V168 HydrophobicContact CD1-CG2 4.27Å; I85-V168 HydrophobicContact CG1-CG2 4.39Å
86	V	98.6	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	103.2	-177.6	-172.1	0	0	0	0	108.5	L13 A84 A99 W102 V103 I115 Y116 L117 C118	L13-V86 HydrophobicContact CB-CG1 4.48Å; L13-V86 HydrophobicContact CB-CG2 4.32Å; L13-V86 CarbonylContact O-C 3.43Å; L13-V86 WeakPolarHBondContact O-CA 3.15Å; A84-V86 HydrophobicContact CB-CG2 4.34Å; V86-A99 HydrophobicContact CG1-CB 3.76Å; V86-W102 HydrophobicContact CG1-CB 4.17Å; V86-V103 HydrophobicContact CG1-CG2 4.26Å; V86-V103 HydrophobicContact CG2-CG2 4.2Å; V86-I115 HydrophobicContact CG2-CG2 4.05Å; V86-Y116 PolarHBondContact N-O 3.01Å; V86-L117 HydrophobicContact CB-CD2 4.17Å; V86-L117 HydrophobicContact CG1-CD2 4.42Å; V86-C118 PolarHBondContact O-N 2.84Å
87	C	98.8	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.6	-173.9	-60.3	0	0	0	0	112.5	L13 G14 V18 K20 C118 T120	L13-C87 PolarHBondContact O-N 3.44Å; G14-C87 WeakPolarHBondContact CA-O 3.07Å; V18-C87 HydrophobicContact CG2-CB 3.71Å; K20-C87 HydrophobicContact CG-CB 3.92Å; C87-C118 VanDerWaalsContact CA-O 3.26Å; C87-C118 WeakPolarHBondContact CA-O 3.25Å; C87-T120 HydrophobicContact CB-CG2 4.1Å
88	Y	98.8	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.3	167.8	65.1	-81	0	0	0	109.2	L90 F96 L117 C118 G119 T120 V134 V139	Y88-L90 HydrophobicContact CE2-CD2 3.77Å; Y88-F96 HydrophobicContact CD1-CD2 4Å; Y88-F96 HydrophobicContact CD2-CB 4.12Å; Y88-F96 AromaticContact CD2-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CG 4.37Å; Y88-F96 HydrophobicContact CE1-CD2 4.35Å; Y88-F96 HydrophobicContact CE2-CD2 4.3Å; Y88-F96 HydrophobicContact CG-CB 4.31Å; Y88-F96 AromaticContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CD2 3.83Å; Y88-L117 HydrophobicContact CE1-CB 4.42Å; Y88-C118 PolarHBondContact N-O 3.19Å; Y88-G119 VanDerWaalsContact CE1-N 3.28Å; Y88-G119 CarbonylContact O-C 3.49Å; Y88-G119 WeakPolarHBondContact O-CA 2.92Å; Y88-T120 PolarHBondContact O-N 3.48Å; Y88-T120 PolarHBondContact O-OG1 3.35Å; Y88-V134 HydrophobicContact CD2-CB 4.46Å; Y88-V134 HydrophobicContact CD2-CG1 4.25Å; Y88-V134 HydrophobicContact CD2-CG2 4.17Å; Y88-V134 HydrophobicContact CE2-CB 4.21Å; Y88-V134 HydrophobicContact CE2-CG1 3.88Å; Y88-V134 HydrophobicContact CE2-CG2 4.41Å; Y88-V139 HydrophobicContact CE1-CG1 4.14Å; Y88-V139 HydrophobicContact CE2-CG2 4.09Å; Y88-V139 WeakPolarHBondContact OH-CG1 3.45Å
89	D	98.7	Very high	97.5	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.064	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.1	177.1	179.5	-16.3	0	0	0	109.7	V18 T91 D92 S95 K121	V18-D89 HydrophobicContact CB-CB 4.36Å; V18-D89 HydrophobicContact CG1-CB 4.28Å; D89-T91 VanDerWaalsContact CG-OG1 3.32Å; D89-T91 PolarHBondContact O-N 3.47Å; D89-T91 WeakPolarHBondContact OD1-CA 3.44Å; D89-T91 WeakPolarHBondContact OD1-CB 3.25Å; D89-T91 PolarHBondContact OD1-N 3.02Å; D89-T91 PolarHBondContact OD1-OG1 3.47Å; D89-T91 PolarHBondContact OD2-OG1 3.19Å; D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 PolarHBondContact O-N 2.78Å; D89-S95 PolarHBondContact N-OG 2.96Å; D89-S95 PolarHBondContact O-OG 3.34Å; D89-K121 WeakPolarHBondContact OD2-CD 3.39Å; D89-K121 WeakPolarHBondContact OD2-CE 3.26Å; D89-K121 IonicContact OD2-NZ 2.71Å; D89-K121 PolarHBondContact OD2-NZ 3.39Å
90	L	98.8	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.7	179.9	-65.8	171.4	0	0	0	113.3	Y88 T120 L125 R133 V134 E152	Y88-L90 HydrophobicContact CE2-CD2 3.77Å; L90-T120 WeakPolarHBondContact CG-O 3.38Å; L90-T120 PolarHBondContact N-O 3.37Å; L90-T120 VanDerWaalsContact N-O 3.17Å; L90-L125 HydrophobicContact CB-CD1 3.84Å; L90-L125 HydrophobicContact CB-CD2 3.91Å; L90-L125 HydrophobicContact CD1-CD2 4.01Å; L90-L125 HydrophobicContact CG-CD2 4.47Å; L90-R133 PolarHBondContact O-N 3.42Å; L90-V134 PolarHBondContact O-N 2.92Å; L90-E152 HydrophobicContact CD1-CB 4.17Å; L90-E152 HydrophobicContact CD1-CG 4.14Å; L90-E152 HydrophobicContact CD2-CG 4.02Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.34Å
91	T	98.5	Very high	98	Very high	36 Å²	36	29.2 Å²	29.2	22%	0.221	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	1	-179.5	72.2	0	0	0	0	114.2	D89 L124 L125 R131 R133	D89-T91 VanDerWaalsContact CG-OG1 3.32Å; D89-T91 PolarHBondContact O-N 3.47Å; D89-T91 WeakPolarHBondContact OD1-CA 3.44Å; D89-T91 WeakPolarHBondContact OD1-CB 3.25Å; D89-T91 PolarHBondContact OD1-N 3.02Å; D89-T91 PolarHBondContact OD1-OG1 3.47Å; D89-T91 PolarHBondContact OD2-OG1 3.19Å; T91-L124 HydrophobicContact CG2-CB 4.01Å; T91-L124 HydrophobicContact CG2-CD1 3.96Å; T91-L125 HydrophobicContact CG2-CD1 3.56Å; T91-R131 WeakPolarHBondContact CA-O 3.38Å; T91-R131 HydrophobicContact CG2-CB 3.98Å; T91-R133 WeakPolarHBondContact O-CG 3.45Å
92	D	98.4	Very high	97.9	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.241	15%	0.149	C	C	.	.			trans	-131.7	102.3	179	176.2	12.1	0	0	0	111.2	K15 D89 S94 S95	K15-D92 IonicContact NZ-OD1 3.09Å; K15-D92 IonicContact NZ-OD2 3.88Å; K15-D92 PolarHBondContact NZ-OD2 3.41Å; D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 PolarHBondContact O-N 2.78Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 VanDerWaalsContact CG-OG 3.26Å; D92-S94 PolarHBondContact O-N 3.13Å; D92-S94 WeakPolarHBondContact OD1-CB 3.21Å; D92-S94 PolarHBondContact OD1-N 2.95Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.3Å; D92-S95 WeakPolarHBondContact O-CB 3.49Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 2.85Å
93	S	97.7	Very high	98	Very high	68 Å²	68	23.5 Å²	23.5	48%	0.476	12%	0.124	S	C	.	.	H	α-helix	trans	-60.7	-32.2	179	57.1	0	0	0	0	113.6	S95 F96 E97	S93-S95 PolarHBondContact O-N 2.89Å; S93-F96 PolarHBondContact O-N 2.95Å; S93-F96 VanDerWaalsContact O-N 3.17Å; S93-E97 PolarHBondContact O-N 3.35Å
94	S	97.7	Very high	97.9	Very high	50 Å²	50	30.8 Å²	30.8	35%	0.35	16%	0.156	S	C	.	.	H	α-helix	trans	-67	-25.7	177.9	74.9	0	0	0	0	112.1	K15 D92 F96 R98	K15-S94 PolarHBondContact NZ-OG 3.48Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 VanDerWaalsContact CG-OG 3.26Å; D92-S94 PolarHBondContact O-N 3.13Å; D92-S94 WeakPolarHBondContact OD1-CB 3.21Å; D92-S94 PolarHBondContact OD1-N 2.95Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.3Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-R98 WeakPolarHBondContact O-CG 3.45Å; S94-R98 PolarHBondContact O-N 3.41Å; S94-R98 VanDerWaalsContact O-N 3.11Å
95	S	98.2	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-32.4	175.9	79.1	0	0	0	0	112.4	D89 D92 S93 R98 A99	D89-S95 PolarHBondContact N-OG 2.96Å; D89-S95 PolarHBondContact O-OG 3.34Å; D92-S95 WeakPolarHBondContact O-CB 3.49Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 2.85Å; S93-S95 PolarHBondContact O-N 2.89Å; S95-R98 PolarHBondContact O-N 3.15Å; S95-A99 PolarHBondContact O-N 3.1Å
96	F	98.6	Very high	97.5	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.035	16%	0.164	C	C	.	.	H	α-helix	trans	-72.4	-39.2	175.4	-176	-124.6	0	0	0	111.7	Y88 S93 S94 R98 A99 K100 V134 V139 Y142	Y88-F96 HydrophobicContact CD1-CD2 4Å; Y88-F96 HydrophobicContact CD2-CB 4.12Å; Y88-F96 AromaticContact CD2-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CG 4.37Å; Y88-F96 HydrophobicContact CE1-CD2 4.35Å; Y88-F96 HydrophobicContact CE2-CD2 4.3Å; Y88-F96 HydrophobicContact CG-CB 4.31Å; Y88-F96 AromaticContact CG-CD2 3.83Å; Y88-F96 HydrophobicContact CG-CD2 3.83Å; S93-F96 PolarHBondContact O-N 2.95Å; S93-F96 VanDerWaalsContact O-N 3.17Å; S94-F96 VanDerWaalsContact C-N 3.34Å; F96-R98 VanDerWaalsContact C-N 3.29Å; F96-R98 PolarHBondContact O-N 3.39Å; F96-A99 HydrophobicContact CD2-CB 4.39Å; F96-A99 WeakPolarHBondContact O-CA 3.4Å; F96-A99 WeakPolarHBondContact O-CB 3.45Å; F96-A99 PolarHBondContact O-N 2.62Å; F96-K100 PolarHBondContact O-N 2.87Å; F96-V134 HydrophobicContact CB-CG1 4.04Å; F96-V134 HydrophobicContact CB-CG2 3.96Å; F96-V134 HydrophobicContact CD1-CG1 3.83Å; F96-V134 HydrophobicContact CD2-CG1 4.4Å; F96-V134 HydrophobicContact CE1-CG1 4.37Å; F96-V134 HydrophobicContact CG-CG1 3.84Å; F96-V139 HydrophobicContact CD1-CG2 4.5Å; F96-V139 HydrophobicContact CD2-CG2 4.28Å; F96-V139 HydrophobicContact CE1-CG2 4.03Å; F96-V139 HydrophobicContact CE2-CB 4.27Å; F96-V139 HydrophobicContact CE2-CG1 3.79Å; F96-V139 HydrophobicContact CE2-CG2 3.84Å; F96-V139 HydrophobicContact CZ-CB 4.07Å; F96-V139 HydrophobicContact CZ-CG1 3.99Å; F96-V139 HydrophobicContact CZ-CG2 3.7Å; F96-Y142 HydrophobicContact CE2-CD1 4.07Å; F96-Y142 AromaticContact CZ-CD1 3.83Å; F96-Y142 HydrophobicContact CZ-CD1 3.83Å; F96-Y142 HydrophobicContact CZ-CG 4.18Å
97	E	97.9	Very high	97.3	Very high	105 Å²	105	36.2 Å²	36.2	49%	0.491	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-39.8	171.4	-65.5	-52.3	128.5	0	0	111.9	S93 A99 K100 F101	S93-E97 PolarHBondContact O-N 3.35Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-K100 PolarHBondContact O-N 3.43Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 IonicContact OE2-NZ 3.34Å; E97-F101 PolarHBondContact O-N 2.62Å
98	R	96.8	Very high	97	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-33.9	172.1	-69.3	-67.4	-72.9	154.9	3.6	112.5	K15 E68 E71 S94 S95 F96 F101 W102	K15-R98 HydrophobicContact CB-CB 4.05Å; K15-R98 HydrophobicContact CB-CG 4.37Å; K15-R98 HydrophobicContact CD-CG 4.34Å; K15-R98 HydrophobicContact CG-CG 4.43Å; E68-R98 IonicContact OE1-CZ 2.78Å; E68-R98 IonicContact OE1-NE 3.57Å; E68-R98 PolarHBondContact OE1-NE 2.8Å; E68-R98 IonicContact OE1-NH1 2.81Å; E68-R98 IonicContact OE1-NH2 3.21Å; E71-R98 IonicContact OE2-CZ 2.61Å; E71-R98 IonicContact OE2-NH1 2.74Å; E71-R98 PolarHBondContact OE2-NH1 3.43Å; E71-R98 IonicContact OE2-NH2 3.62Å; E71-R98 PolarHBondContact OE2-NH2 2.93Å; S94-R98 WeakPolarHBondContact O-CG 3.45Å; S94-R98 PolarHBondContact O-N 3.41Å; S94-R98 VanDerWaalsContact O-N 3.11Å; S95-R98 PolarHBondContact O-N 3.15Å; F96-R98 VanDerWaalsContact C-N 3.29Å; F96-R98 PolarHBondContact O-N 3.39Å; R98-F101 WeakPolarHBondContact O-CB 3.45Å; R98-F101 PolarHBondContact O-N 3.18Å; R98-W102 PolarHBondContact O-N 2.71Å
99	A	98	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-43	172.9	0	0	0	0	0	111.8	V86 S95 F96 E97 F101 W102 V103	V86-A99 HydrophobicContact CG1-CB 3.76Å; S95-A99 PolarHBondContact O-N 3.1Å; F96-A99 HydrophobicContact CD2-CB 4.39Å; F96-A99 WeakPolarHBondContact O-CA 3.4Å; F96-A99 WeakPolarHBondContact O-CB 3.45Å; F96-A99 PolarHBondContact O-N 2.62Å; E97-A99 VanDerWaalsContact C-N 3.35Å; A99-F101 VanDerWaalsContact C-N 3.3Å; A99-F101 PolarHBondContact O-N 2.71Å; A99-W102 PolarHBondContact O-N 3.37Å; A99-W102 VanDerWaalsContact O-N 3.14Å; A99-V103 WeakPolarHBondContact O-CG2 3.34Å; A99-V103 PolarHBondContact O-N 3.43Å
100	K	98.2	Very high	96.4	Very high	62 Å²	62	46.1 Å²	46.1	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-41.2	174.9	-64.1	174.9	-177	165.5	0	112.3	F96 E97 V103 K104 Y142	F96-K100 PolarHBondContact O-N 2.87Å; E97-K100 PolarHBondContact O-N 3.43Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 IonicContact OE2-NZ 3.34Å; K100-V103 PolarHBondContact O-N 2.59Å; K100-K104 PolarHBondContact O-N 2.93Å; K100-K104 VanDerWaalsContact O-N 3.13Å; K100-Y142 WeakPolarHBondContact CA-OH 3.34Å; K100-Y142 HydrophobicContact CG-CD1 4.36Å; K100-Y142 HydrophobicContact CG-CD2 4.5Å; K100-Y142 HydrophobicContact CG-CE1 3.86Å; K100-Y142 HydrophobicContact CG-CE2 4.03Å
101	F	95.8	Very high	96.1	Very high	57 Å²	57	53.7 Å²	53.7	25%	0.25	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-49.5	173.1	168.1	-93.1	0	0	0	111.6	E71 E97 R98 A99 V103 K104 E105	E71-F101 HydrophobicContact CG-CE1 4.05Å; E71-F101 HydrophobicContact CG-CZ 4.25Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.5Å; E71-F101 WeakPolarHBondContact OE2-CE1 3.23Å; E97-F101 PolarHBondContact O-N 2.62Å; R98-F101 WeakPolarHBondContact O-CB 3.45Å; R98-F101 PolarHBondContact O-N 3.18Å; A99-F101 VanDerWaalsContact C-N 3.3Å; A99-F101 PolarHBondContact O-N 2.71Å; F101-V103 PolarHBondContact O-N 2.98Å; F101-K104 PolarHBondContact O-N 2.87Å; F101-E105 HydrophobicContact CD1-CG 4.45Å; F101-E105 HydrophobicContact CD2-CG 4.43Å; F101-E105 HydrophobicContact CE1-CG 3.79Å; F101-E105 HydrophobicContact CE2-CG 3.77Å; F101-E105 HydrophobicContact CZ-CG 3.39Å; F101-E105 PolarHBondContact O-N 2.83Å
102	W	95.5	Very high	95.8	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.011	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-39.6	179.2	-73.3	119.5	0	0	0	113.4	L13 E71 S74 V86 R98 A99 K104 E105 L106	L13-W102 HydrophobicContact CB-CB 4.19Å; L13-W102 HydrophobicContact CB-CD2 4.49Å; L13-W102 HydrophobicContact CB-CG 4.2Å; L13-W102 HydrophobicContact CD1-CB 4.43Å; L13-W102 HydrophobicContact CD2-CE3 4.3Å; E71-W102 HydrophobicContact CB-CH2 4.09Å; E71-W102 HydrophobicContact CG-CH2 3.65Å; E71-W102 HydrophobicContact CG-CZ2 4.42Å; E71-W102 HydrophobicContact CG-CZ3 4.05Å; S74-W102 VanDerWaalsContact CB-CZ3 3.49Å; S74-W102 VanDerWaalsContact OG-CH2 3.27Å; S74-W102 WeakPolarHBondContact OG-CH2 3.47Å; V86-W102 HydrophobicContact CG1-CB 4.17Å; R98-W102 PolarHBondContact O-N 2.71Å; A99-W102 PolarHBondContact O-N 3.37Å; A99-W102 VanDerWaalsContact O-N 3.14Å; W102-K104 VanDerWaalsContact C-N 3.34Å; W102-E105 PolarHBondContact O-N 3.13Å; W102-L106 VanDerWaalsContact O-CB 3.27Å; W102-L106 WeakPolarHBondContact O-CB 3.36Å; W102-L106 PolarHBondContact O-N 3.33Å
103	V	97.2	Very high	95.7	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.9	168.9	0	0	0	0	110.8	V86 A99 K100 F101 L106 R107 I115 L117 Y142 I146	V86-V103 HydrophobicContact CG1-CG2 4.26Å; V86-V103 HydrophobicContact CG2-CG2 4.2Å; A99-V103 WeakPolarHBondContact O-CG2 3.34Å; A99-V103 PolarHBondContact O-N 3.43Å; K100-V103 PolarHBondContact O-N 2.59Å; F101-V103 PolarHBondContact O-N 2.98Å; V103-L106 PolarHBondContact O-N 3.06Å; V103-R107 HydrophobicContact CG1-CG 4.4Å; V103-R107 WeakPolarHBondContact O-CB 3.38Å; V103-R107 WeakPolarHBondContact O-CG 3.44Å; V103-R107 PolarHBondContact O-N 2.89Å; V103-I115 HydrophobicContact CG1-CD1 3.89Å; V103-I115 HydrophobicContact CG2-CD1 4.45Å; V103-I115 HydrophobicContact CG2-CG2 4.33Å; V103-L117 HydrophobicContact CG2-CD2 4.35Å; V103-Y142 WeakPolarHBondContact CB-OH 3.4Å; V103-Y142 WeakPolarHBondContact CG1-OH 3.44Å; V103-Y142 HydrophobicContact CG2-CE1 4.41Å; V103-I146 HydrophobicContact CB-CD1 4.43Å; V103-I146 HydrophobicContact CG1-CB 4.44Å; V103-I146 HydrophobicContact CG1-CD1 3.68Å; V103-I146 HydrophobicContact CG1-CG2 4.27Å; V103-I146 HydrophobicContact CG2-CD1 3.9Å
104	K	95.8	Very high	95.7	Very high	157 Å²	157	53.5 Å²	53.5	68%	0.683	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-47.3	-180	-175.1	-178.3	177.1	-176.6	0	111.7	K100 F101 W102 R107 S108	K100-K104 PolarHBondContact O-N 2.93Å; K100-K104 VanDerWaalsContact O-N 3.13Å; F101-K104 PolarHBondContact O-N 2.87Å; W102-K104 VanDerWaalsContact C-N 3.34Å; K104-R107 PolarHBondContact O-N 3.14Å; K104-S108 PolarHBondContact O-N 3.39Å
105	E	93.7	Very high	95.8	Very high	36 Å²	36	51.1 Å²	51.1	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-47	177.1	-75.1	-66.7	105.8	0	0	111.2	R75 F101 W102 R107 S108	R75-E105 IonicContact CZ-OE2 3.59Å; R75-E105 IonicContact NE-OE2 3.06Å; R75-E105 PolarHBondContact NE-OE2 2.84Å; R75-E105 IonicContact NH2-OE2 3.69Å; R75-E105 PolarHBondContact NH2-OE2 3.38Å; F101-E105 HydrophobicContact CD1-CG 4.45Å; F101-E105 HydrophobicContact CD2-CG 4.43Å; F101-E105 HydrophobicContact CE1-CG 3.79Å; F101-E105 HydrophobicContact CE2-CG 3.77Å; F101-E105 HydrophobicContact CZ-CG 3.39Å; F101-E105 PolarHBondContact O-N 2.83Å; W102-E105 PolarHBondContact O-N 3.13Å; E105-R107 PolarHBondContact O-N 3.13Å; E105-S108 PolarHBondContact O-N 2.79Å; E105-S108 PolarHBondContact O-OG 3.18Å
106	L	95.4	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-50.4	179.1	176.9	68.4	0	0	0	111.5	L13 Y78 A84 W102 V103 S108 L109 E110 C113 I115	L13-L106 HydrophobicContact CD1-CB 4.45Å; L13-L106 HydrophobicContact CD1-CD2 4.4Å; Y78-L106 HydrophobicContact CD1-CD1 4.46Å; Y78-L106 HydrophobicContact CD2-CD1 3.98Å; Y78-L106 HydrophobicContact CG-CD1 3.84Å; A84-L106 HydrophobicContact CB-CD2 3.33Å; W102-L106 VanDerWaalsContact O-CB 3.27Å; W102-L106 WeakPolarHBondContact O-CB 3.36Å; W102-L106 PolarHBondContact O-N 3.33Å; V103-L106 PolarHBondContact O-N 3.06Å; L106-S108 PolarHBondContact O-N 3.14Å; L106-L109 PolarHBondContact O-N 3.31Å; L106-E110 HydrophobicContact CD1-CB 4.02Å; L106-E110 HydrophobicContact CD1-CG 4.37Å; L106-E110 PolarHBondContact O-N 3.44Å; L106-C113 HydrophobicContact CD1-CB 4.35Å; L106-C113 HydrophobicContact CD2-CB 4.23Å; L106-C113 HydrophobicContact CG-CB 4.34Å; L106-I115 HydrophobicContact CD2-CD1 3.98Å; L106-I115 HydrophobicContact CD2-CG1 3.99Å
107	R	94.9	Very high	95.8	Very high	78 Å²	78	50.8 Å²	50.8	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-26.4	-178.9	-75	-69.9	-165.1	-166.3	-3	113	V103 K104 E105 L109 E111 C113 I115 I146	V103-R107 HydrophobicContact CG1-CG 4.4Å; V103-R107 WeakPolarHBondContact O-CB 3.38Å; V103-R107 WeakPolarHBondContact O-CG 3.44Å; V103-R107 PolarHBondContact O-N 2.89Å; K104-R107 PolarHBondContact O-N 3.14Å; E105-R107 PolarHBondContact O-N 3.13Å; R107-L109 PolarHBondContact O-N 2.91Å; R107-E111 PolarHBondContact NH1-O 3.07Å; R107-C113 PolarHBondContact NH1-O 3.19Å; R107-I115 HydrophobicContact CG-CD1 4.08Å; R107-I146 PolarHBondContact NH2-O 2.97Å
108	S	93	Very high	95.9	Very high	82 Å²	82	45.8 Å²	45.8	57%	0.573	24%	0.237	S	C	*	.	H	α-helix	trans	-70.2	-19.2	176.8	78.2	0	0	0	0	114	K104 E105 L106	K104-S108 PolarHBondContact O-N 3.39Å; E105-S108 PolarHBondContact O-N 2.79Å; E105-S108 PolarHBondContact O-OG 3.18Å; L106-S108 PolarHBondContact O-N 3.14Å
109	L	90.7	Very high	96	Very high	95 Å²	95	44 Å²	44	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-121.5	-28	-176.1	-68.6	176.7	0	0	0	113.7	Y78 L106 R107	Y78-L109 HydrophobicContact CE2-CB 3.95Å; Y78-L109 HydrophobicContact CE2-CD1 3.58Å; Y78-L109 HydrophobicContact CE2-CG 4.36Å; Y78-L109 WeakPolarHBondContact OH-CD1 3.37Å; L106-L109 PolarHBondContact O-N 3.31Å; R107-L109 PolarHBondContact O-N 2.91Å
110	E	93.9	Very high	96	Very high	43 Å²	43	44 Å²	44	20%	0.201	23%	0.23	C	C	.	.			trans	-133.6	66.3	-177.2	-61.4	-66.9	159.7	0	0	109.7	Y78 R79 G80 L106 G112 C113	Y78-E110 HydrophobicContact CD2-CG 4.29Å; R79-E110 VanDerWaalsContact CA-OE1 3.23Å; R79-E110 WeakPolarHBondContact CA-OE1 3.49Å; G80-E110 PolarHBondContact N-OE1 3.27Å; G80-E110 PolarHBondContact N-OE2 2.85Å; L106-E110 HydrophobicContact CD1-CB 4.02Å; L106-E110 HydrophobicContact CD1-CG 4.37Å; L106-E110 PolarHBondContact O-N 3.44Å; E110-G112 PolarHBondContact O-N 3.15Å; E110-G112 VanDerWaalsContact O-N 3.14Å; E110-C113 HydrophobicContact CB-CB 3.95Å; E110-C113 WeakPolarHBondContact O-CB 3.46Å; E110-C113 PolarHBondContact O-N 3.37Å
111	E	92.2	Very high	96	Very high	159 Å²	159	43.7 Å²	43.7	74%	0.743	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.4	-176	-173.5	179.8	-177.7	0	0	112.7	R107 C113	R107-E111 PolarHBondContact NH1-O 3.07Å; E111-C113 VanDerWaalsContact C-N 3.33Å; E111-C113 PolarHBondContact O-N 2.68Å
112	G	92.6	Very high	96.2	Very high	77 Å²	77	41.2 Å²	41.2	79%	0.794	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	4	179	0	0	0	0	0	115.7	E110 Q114	E110-G112 PolarHBondContact O-N 3.15Å; E110-G112 VanDerWaalsContact O-N 3.14Å; G112-Q114 PolarHBondContact O-N 2.95Å
113	C	96.6	Very high	96.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	22%	0.223	C	C	.	.			trans	-70.7	126.7	178.3	-162.5	0	0	0	0	110.7	A81 A83 L106 R107 E110 E111	A81-C113 PolarHBondContact O-SG 2.96Å; A83-C113 VanDerWaalsContact C-SG 3.54Å; L106-C113 HydrophobicContact CD1-CB 4.35Å; L106-C113 HydrophobicContact CD2-CB 4.23Å; L106-C113 HydrophobicContact CG-CB 4.34Å; R107-C113 PolarHBondContact NH1-O 3.19Å; E110-C113 HydrophobicContact CB-CB 3.95Å; E110-C113 WeakPolarHBondContact O-CB 3.46Å; E110-C113 PolarHBondContact O-N 3.37Å; E111-C113 VanDerWaalsContact C-N 3.33Å; E111-C113 PolarHBondContact O-N 2.68Å
114	Q	98	Very high	96.4	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.9	174.3	-175.9	59.1	37	0	0	109.8	K82 A83 A84 G112 Y116	K82-Q114 PolarHBondContact O-N 2.61Å; A83-Q114 CarbonylContact C-O 3.59Å; A83-Q114 VanDerWaalsContact CA-O 3.25Å; A83-Q114 WeakPolarHBondContact CA-O 3.39Å; A84-Q114 PolarHBondContact N-O 3.02Å; G112-Q114 PolarHBondContact O-N 2.95Å; Q114-Y116 HydrophobicContact CB-CE2 4.15Å; Q114-Y116 HydrophobicContact CG-CD2 4.45Å; Q114-Y116 HydrophobicContact CG-CE2 3.56Å; Q114-Y116 WeakPolarHBondContact CG-OH 3.47Å
115	I	98.6	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	-175.2	-59.3	-178.6	0	0	0	110.2	V86 V103 L106 R107 I146 A148 Q149	V86-I115 HydrophobicContact CG2-CG2 4.05Å; V103-I115 HydrophobicContact CG1-CD1 3.89Å; V103-I115 HydrophobicContact CG2-CD1 4.45Å; V103-I115 HydrophobicContact CG2-CG2 4.33Å; L106-I115 HydrophobicContact CD2-CD1 3.98Å; L106-I115 HydrophobicContact CD2-CG1 3.99Å; R107-I115 HydrophobicContact CG-CD1 4.08Å; I115-I146 HydrophobicContact CG2-CD1 4.23Å; I115-A148 HydrophobicContact CB-CB 3.97Å; I115-A148 HydrophobicContact CG2-CB 3.8Å; I115-A148 VanDerWaalsContact O-CA 3.25Å; I115-A148 WeakPolarHBondContact O-CA 3.42Å; I115-A148 WeakPolarHBondContact O-CB 3.34Å; I115-Q149 PolarHBondContact O-N 2.88Å; I115-Q149 VanDerWaalsContact O-N 3.14Å
116	Y	98.8	Very high	96.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.8	170.8	-57.1	-95.7	0	0	0	107.7	A83 A84 I85 V86 Q114 Q149 F151 L164 K167 V168 D171	A83-Y116 HydrophobicContact CB-CD2 4.42Å; A83-Y116 HydrophobicContact CB-CE2 3.93Å; A84-Y116 PolarHBondContact O-N 2.83Å; I85-Y116 CarbonylContact C-O 3.54Å; I85-Y116 WeakPolarHBondContact CA-O 3.45Å; V86-Y116 PolarHBondContact N-O 3.01Å; Q114-Y116 HydrophobicContact CB-CE2 4.15Å; Q114-Y116 HydrophobicContact CG-CD2 4.45Å; Q114-Y116 HydrophobicContact CG-CE2 3.56Å; Q114-Y116 WeakPolarHBondContact CG-OH 3.47Å; Y116-Q149 CarbonylContact C-O 3.44Å; Y116-Q149 WeakPolarHBondContact CA-O 3.1Å; Y116-Q149 HydrophobicContact CD1-CB 3.94Å; Y116-Q149 HydrophobicContact CE1-CB 4.27Å; Y116-F151 HydrophobicContact CD1-CD2 4.48Å; Y116-F151 AromaticContact CD1-CE2 3.94Å; Y116-F151 HydrophobicContact CD1-CE2 3.94Å; Y116-L164 HydrophobicContact CD1-CD1 4.25Å; Y116-L164 HydrophobicContact CG-CD1 4.3Å; Y116-K167 HydrophobicContact CE1-CG 3.99Å; Y116-V168 HydrophobicContact CD1-CG2 4.26Å; Y116-V168 HydrophobicContact CD2-CG2 3.8Å; Y116-V168 HydrophobicContact CE1-CG2 4.1Å; Y116-V168 HydrophobicContact CE2-CB 4.36Å; Y116-V168 HydrophobicContact CE2-CG2 3.61Å; Y116-V168 HydrophobicContact CG-CG2 4.13Å; Y116-D171 WeakPolarHBondContact OH-CB 3.1Å; Y116-D171 PolarHBondContact OH-OD2 3.27Å
117	L	98.8	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.3	170.2	-73.6	172	0	0	0	108.5	V86 Y88 V103 V139 Y142 A143 I146 A148 Q149 L150 F151	V86-L117 HydrophobicContact CB-CD2 4.17Å; V86-L117 HydrophobicContact CG1-CD2 4.42Å; Y88-L117 HydrophobicContact CE1-CB 4.42Å; V103-L117 HydrophobicContact CG2-CD2 4.35Å; L117-V139 HydrophobicContact CD1-CG1 4.23Å; L117-Y142 HydrophobicContact CD1-CD1 3.66Å; L117-Y142 HydrophobicContact CD1-CE1 4.01Å; L117-Y142 HydrophobicContact CD2-CE1 4.36Å; L117-A143 HydrophobicContact CD1-CB 3.83Å; L117-I146 HydrophobicContact CD1-CD1 4.01Å; L117-I146 HydrophobicContact CG-CD1 4.34Å; L117-A148 HydrophobicContact CD1-CB 4.25Å; L117-A148 HydrophobicContact CG-CB 4.14Å; L117-Q149 PolarHBondContact N-O 2.83Å; L117-L150 HydrophobicContact CB-CD1 3.98Å; L117-F151 PolarHBondContact O-N 2.72Å
118	C	98.9	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.3	-175.1	177.2	0	0	0	0	110.8	I85 V86 C87 Y88 T120 F151 T153 L164	I85-C118 HydrophobicContact CG2-CB 3.73Å; V86-C118 PolarHBondContact O-N 2.84Å; C87-C118 VanDerWaalsContact CA-O 3.26Å; C87-C118 WeakPolarHBondContact CA-O 3.25Å; Y88-C118 PolarHBondContact N-O 3.19Å; C118-T120 PolarHBondContact O-N 2.8Å; C118-F151 CarbonylContact C-O 3.54Å; C118-F151 WeakPolarHBondContact CA-O 3.4Å; C118-T153 PolarHBondContact SG-OG1 2.75Å; C118-L164 HydrophobicContact CB-CD2 4.23Å
119	G	98.9	Very high	97	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.1	167.9	0	0	0	0	0	110.2	Y88 F151 E152 T153	Y88-G119 VanDerWaalsContact CE1-N 3.28Å; Y88-G119 CarbonylContact O-C 3.49Å; Y88-G119 WeakPolarHBondContact O-CA 2.92Å; G119-F151 PolarHBondContact N-O 2.96Å; G119-E152 CarbonylContact O-C 3.5Å; G119-E152 WeakPolarHBondContact O-CA 3.32Å; G119-T153 PolarHBondContact O-N 3.29Å
120	T	98.8	Very high	97.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	161.8	-177.5	52.9	0	0	0	0	111.7	V18 C87 Y88 L90 C118 T153	V18-T120 WeakPolarHBondContact O-CB 3.38Å; V18-T120 PolarHBondContact O-OG1 2.95Å; C87-T120 HydrophobicContact CB-CG2 4.1Å; Y88-T120 PolarHBondContact O-N 3.48Å; Y88-T120 PolarHBondContact O-OG1 3.35Å; L90-T120 WeakPolarHBondContact CG-O 3.38Å; L90-T120 PolarHBondContact N-O 3.37Å; L90-T120 VanDerWaalsContact N-O 3.17Å; C118-T120 PolarHBondContact O-N 2.8Å; T120-T153 CarbonylContact C-O 3.41Å; T120-T153 WeakPolarHBondContact CA-O 3.08Å
121	K	98.5	Very high	97.6	Very high	56 Å²	56	58.1 Å²	58.1	24%	0.243	27%	0.273	C	S	.	.			trans	70.2	37.8	176.2	-44.8	-176.3	-167.3	170.2	0	113.5	Y17 V18 D89 D123 L124 T153	Y17-K121 WeakPolarHBondContact O-CE 3.48Å; Y17-K121 PolarHBondContact O-NZ 3.28Å; V18-K121 WeakPolarHBondContact O-CE 3.4Å; D89-K121 WeakPolarHBondContact OD2-CD 3.39Å; D89-K121 WeakPolarHBondContact OD2-CE 3.26Å; D89-K121 IonicContact OD2-NZ 2.71Å; D89-K121 PolarHBondContact OD2-NZ 3.39Å; K121-D123 WeakPolarHBondContact CA-OD1 3.23Å; K121-D123 PolarHBondContact O-N 3.02Å; K121-D123 VanDerWaalsContact O-N 3.15Å; K121-L124 HydrophobicContact CB-CD1 3.89Å; K121-L124 HydrophobicContact CB-CG 4.07Å; K121-L124 HydrophobicContact CD-CD1 3.95Å; K121-L124 WeakPolarHBondContact O-CB 3.48Å; K121-L124 PolarHBondContact O-N 2.66Å; K121-T153 PolarHBondContact N-O 3.42Å
122	S	98.6	Very high	97.9	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.042	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	175.5	59.5	0	0	0	0	112.9	L124 L125 E126 T153 S154 Q159	S122-L124 PolarHBondContact O-N 3.47Å; S122-L125 WeakPolarHBondContact O-CB 3.45Å; S122-L125 PolarHBondContact O-N 3.34Å; S122-E126 PolarHBondContact O-N 3.4Å; S122-E126 VanDerWaalsContact O-N 3.08Å; S122-T153 PolarHBondContact N-O 3.39Å; S122-T153 PolarHBondContact OG-O 2.77Å; S122-S154 VanDerWaalsContact OG-CB 3.25Å; S122-S154 WeakPolarHBondContact OG-CB 3.34Å; S122-S154 PolarHBondContact OG-N 2.8Å; S122-Q159 PolarHBondContact OG-OE1 3.15Å
123	D	98.6	Very high	98.2	Very high	15 Å²	15	57 Å²	57	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-55.8	-34	174.1	55.6	-76.6	0	0	0	113	K121 L125 E126 E127 S154 K156 T157	K121-D123 WeakPolarHBondContact CA-OD1 3.23Å; K121-D123 PolarHBondContact O-N 3.02Å; K121-D123 VanDerWaalsContact O-N 3.15Å; D123-L125 PolarHBondContact O-N 3.17Å; D123-E126 PolarHBondContact O-N 3.44Å; D123-E127 WeakPolarHBondContact O-CG 3.33Å; D123-E127 PolarHBondContact O-N 3.15Å; D123-S154 WeakPolarHBondContact CB-OG 3.48Å; D123-S154 VanDerWaalsContact CG-OG 3.26Å; D123-S154 WeakPolarHBondContact OD1-CB 3.31Å; D123-S154 PolarHBondContact OD1-OG 2.83Å; D123-K156 HydrophobicContact CB-CB 4.42Å; D123-K156 HydrophobicContact CB-CD 4.16Å; D123-K156 WeakPolarHBondContact OD2-CD 3.37Å; D123-K156 IonicContact OD2-NZ 3.68Å; D123-T157 HydrophobicContact CB-CG2 4.07Å
124	L	98.3	Very high	98.2	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.199	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-25.5	178.1	-58.3	-177.4	0	0	0	112.1	T91 K121 S122 D128 R131	T91-L124 HydrophobicContact CG2-CB 4.01Å; T91-L124 HydrophobicContact CG2-CD1 3.96Å; K121-L124 HydrophobicContact CB-CD1 3.89Å; K121-L124 HydrophobicContact CB-CG 4.07Å; K121-L124 HydrophobicContact CD-CD1 3.95Å; K121-L124 WeakPolarHBondContact O-CB 3.48Å; K121-L124 PolarHBondContact O-N 2.66Å; S122-L124 PolarHBondContact O-N 3.47Å; L124-D128 PolarHBondContact O-N 2.89Å; L124-R131 WeakPolarHBondContact O-CD 3.38Å
125	L	97.9	Very high	98.2	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-87.6	-30.3	179.3	-76.7	59.6	0	0	0	111.6	L90 T91 S122 D123 E127 D128 R129 R132	L90-L125 HydrophobicContact CB-CD1 3.84Å; L90-L125 HydrophobicContact CB-CD2 3.91Å; L90-L125 HydrophobicContact CD1-CD2 4.01Å; L90-L125 HydrophobicContact CG-CD2 4.47Å; T91-L125 HydrophobicContact CG2-CD1 3.56Å; S122-L125 WeakPolarHBondContact O-CB 3.45Å; S122-L125 PolarHBondContact O-N 3.34Å; D123-L125 PolarHBondContact O-N 3.17Å; L125-E127 VanDerWaalsContact C-N 3.31Å; L125-D128 CarbonylContact O-C 3.34Å; L125-R129 WeakPolarHBondContact O-CA 3.32Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 2.92Å; L125-R129 VanDerWaalsContact O-N 3.07Å; L125-R132 HydrophobicContact CD2-CB 3.99Å; L125-R132 HydrophobicContact CD2-CG 4.25Å; L125-R132 VanDerWaalsContact CD2-NE 3.28Å; L125-R132 HydrophobicContact CG-CB 4.2Å
126	E	96.5	Very high	98.2	Very high	124 Å²	124	63 Å²	63	58%	0.579	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-41.4	167.3	-64.8	-179.8	164	0	0	110.6	S122 D123 Q159	S122-E126 PolarHBondContact O-N 3.4Å; S122-E126 VanDerWaalsContact O-N 3.08Å; D123-E126 PolarHBondContact O-N 3.44Å; E126-Q159 PolarHBondContact OE1-OE1 3.29Å; E126-Q159 VanDerWaalsContact OE1-OE1 3.04Å
127	E	97.1	Very high	98.1	Very high	106 Å²	106	68.4 Å²	68.4	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-66.2	-47.4	173.9	-72.4	174	-171.1	0	0	112.5	D123 L125 R131 K156	D123-E127 WeakPolarHBondContact O-CG 3.33Å; D123-E127 PolarHBondContact O-N 3.15Å; L125-E127 VanDerWaalsContact C-N 3.31Å; E127-R131 IonicContact OE2-CZ 3.84Å; E127-R131 IonicContact OE2-NH1 2.94Å; E127-R131 PolarHBondContact OE2-NH1 2.93Å; E127-R131 IonicContact OE2-NH2 3.97Å; E127-K156 IonicContact OE1-NZ 3.78Å; E127-K156 PolarHBondContact OE1-NZ 3.17Å
128	D	98.1	Very high	98.1	Very high	43 Å²	43	73.2 Å²	73.2	23%	0.23	32%	0.319	C	S	.	.			trans	-152.4	104.5	176.7	-176.3	-4.1	0	0	0	111.3	L124 L125 R130 R131	L124-D128 PolarHBondContact O-N 2.89Å; L125-D128 CarbonylContact O-C 3.34Å; D128-R130 PolarHBondContact O-N 2.82Å; D128-R130 VanDerWaalsContact OD1-CB 3.22Å; D128-R130 WeakPolarHBondContact OD1-CB 3.35Å; D128-R130 WeakPolarHBondContact OD1-CG 3.44Å; D128-R130 IonicContact OD1-CZ 3.79Å; D128-R130 PolarHBondContact OD1-N 3.48Å; D128-R130 IonicContact OD1-NE 2.96Å; D128-R130 PolarHBondContact OD1-NE 3.01Å; D128-R130 IonicContact OD1-NH2 3.72Å; D128-R130 IonicContact OD2-CZ 3.47Å; D128-R130 IonicContact OD2-NE 3.28Å; D128-R130 PolarHBondContact OD2-NE 2.98Å; D128-R130 IonicContact OD2-NH2 2.8Å; D128-R130 PolarHBondContact OD2-NH2 2.8Å; D128-R131 HydrophobicContact CB-CG 4.09Å; D128-R131 VanDerWaalsContact O-CB 3.31Å; D128-R131 WeakPolarHBondContact O-CB 3.39Å; D128-R131 WeakPolarHBondContact O-CG 3.12Å; D128-R131 PolarHBondContact O-N 3.35Å
129	R	97.2	Very high	98	Very high	220 Å²	220	73.2 Å²	73.2	83%	0.83	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.6	-24.7	179.4	-67	-173.6	71	-177.2	2.6	113.4	L125 R131 R132	L125-R129 WeakPolarHBondContact O-CA 3.32Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 2.92Å; L125-R129 VanDerWaalsContact O-N 3.07Å; R129-R131 PolarHBondContact O-N 3.04Å; R129-R132 PolarHBondContact O-N 3.41Å
130	R	97.9	Very high	98	Very high	193 Å²	193	75.9 Å²	75.9	73%	0.728	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-70.8	-7.8	177.3	-56.2	171.8	-62.6	176.6	5.6	112.8	D128 R132 R133	D128-R130 PolarHBondContact O-N 2.82Å; D128-R130 VanDerWaalsContact OD1-CB 3.22Å; D128-R130 WeakPolarHBondContact OD1-CB 3.35Å; D128-R130 WeakPolarHBondContact OD1-CG 3.44Å; D128-R130 IonicContact OD1-CZ 3.79Å; D128-R130 PolarHBondContact OD1-N 3.48Å; D128-R130 IonicContact OD1-NE 2.96Å; D128-R130 PolarHBondContact OD1-NE 3.01Å; D128-R130 IonicContact OD1-NH2 3.72Å; D128-R130 IonicContact OD2-CZ 3.47Å; D128-R130 IonicContact OD2-NE 3.28Å; D128-R130 PolarHBondContact OD2-NE 2.98Å; D128-R130 IonicContact OD2-NH2 2.8Å; D128-R130 PolarHBondContact OD2-NH2 2.8Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-R133 PolarHBondContact O-NH1 3.32Å
131	R	98.2	Very high	98	Very high	101 Å²	101	79.7 Å²	79.7	38%	0.381	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-76.7	-16.7	173.1	-68.3	-175.7	-178.7	168.9	2.2	113.3	T91 L124 E127 D128 R129 R133	T91-R131 WeakPolarHBondContact CA-O 3.38Å; T91-R131 HydrophobicContact CG2-CB 3.98Å; L124-R131 WeakPolarHBondContact O-CD 3.38Å; E127-R131 IonicContact OE2-CZ 3.84Å; E127-R131 IonicContact OE2-NH1 2.94Å; E127-R131 PolarHBondContact OE2-NH1 2.93Å; E127-R131 IonicContact OE2-NH2 3.97Å; D128-R131 HydrophobicContact CB-CG 4.09Å; D128-R131 VanDerWaalsContact O-CB 3.31Å; D128-R131 WeakPolarHBondContact O-CB 3.39Å; D128-R131 WeakPolarHBondContact O-CG 3.12Å; D128-R131 PolarHBondContact O-N 3.35Å; R129-R131 PolarHBondContact O-N 3.04Å; R131-R133 PolarHBondContact O-N 3Å
132	R	98.6	Very high	98	Very high	69 Å²	69	78.9 Å²	78.9	26%	0.26	35%	0.347	S	S	.	.			trans	-57.7	131	177	-177	171.3	-76.1	-93.3	3.3	110.4	L125 R129 R130 V134 E152	L125-R132 HydrophobicContact CD2-CB 3.99Å; L125-R132 HydrophobicContact CD2-CG 4.25Å; L125-R132 VanDerWaalsContact CD2-NE 3.28Å; L125-R132 HydrophobicContact CG-CB 4.2Å; R129-R132 PolarHBondContact O-N 3.41Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R132-V134 VanDerWaalsContact CD-O 3.24Å; R132-V134 WeakPolarHBondContact CD-O 3.36Å; R132-V134 WeakPolarHBondContact CG-O 3.25Å; R132-V134 PolarHBondContact NH1-O 3.11Å; R132-V134 VanDerWaalsContact NH1-O 3.11Å; R132-E152 IonicContact CZ-OE1 2.78Å; R132-E152 VanDerWaalsContact CZ-OE1 3.25Å; R132-E152 IonicContact CZ-OE2 3.25Å; R132-E152 IonicContact NH1-OE1 3.33Å; R132-E152 PolarHBondContact NH1-OE1 3.39Å; R132-E152 IonicContact NH2-OE1 3.95Å; R132-E152 PolarHBondContact NH2-OE1 3.3Å; R132-E152 IonicContact NH2-OE2 2.76Å; R132-E152 PolarHBondContact NH2-OE2 3.38Å
133	R	98.5	Very high	98	Very high	145 Å²	145	78.6 Å²	78.6	55%	0.547	35%	0.345	S	S	.	.			trans	-122.9	-6.7	174.9	-64.2	-64.2	175.9	-95.9	-1.6	113.1	L90 T91 R130 R131	L90-R133 PolarHBondContact O-N 3.42Å; T91-R133 WeakPolarHBondContact O-CG 3.45Å; R130-R133 PolarHBondContact O-NH1 3.32Å; R131-R133 PolarHBondContact O-N 3Å
134	V	98	Very high	98	Very high	7 Å²	7	82.6 Å²	82.6	4%	0.042	37%	0.367	C	S	.	.	S	Bend	trans	-117.9	117.4	176	-171.3	0	0	0	0	108.3	Y88 L90 F96 R132 V139	Y88-V134 HydrophobicContact CD2-CB 4.46Å; Y88-V134 HydrophobicContact CD2-CG1 4.25Å; Y88-V134 HydrophobicContact CD2-CG2 4.17Å; Y88-V134 HydrophobicContact CE2-CB 4.21Å; Y88-V134 HydrophobicContact CE2-CG1 3.88Å; Y88-V134 HydrophobicContact CE2-CG2 4.41Å; L90-V134 PolarHBondContact O-N 2.92Å; F96-V134 HydrophobicContact CB-CG1 4.04Å; F96-V134 HydrophobicContact CB-CG2 3.96Å; F96-V134 HydrophobicContact CD1-CG1 3.83Å; F96-V134 HydrophobicContact CD2-CG1 4.4Å; F96-V134 HydrophobicContact CE1-CG1 4.37Å; F96-V134 HydrophobicContact CG-CG1 3.84Å; R132-V134 VanDerWaalsContact CD-O 3.24Å; R132-V134 WeakPolarHBondContact CD-O 3.36Å; R132-V134 WeakPolarHBondContact CG-O 3.25Å; R132-V134 PolarHBondContact NH1-O 3.11Å; R132-V134 VanDerWaalsContact NH1-O 3.11Å; V134-V139 HydrophobicContact CG1-CG2 3.31Å
135	D	97.6	Very high	98	Very high	84 Å²	84	87 Å²	87	45%	0.449	39%	0.391	S	S	.	.			trans	-68.8	134.9	178.6	-167.1	-78.8	0	0	0	110.5	H137 D138 V139	D135-H137 VanDerWaalsContact C-N 3.34Å; D135-H137 PolarHBondContact O-N 3.32Å; D135-H137 WeakPolarHBondContact OD1-CA 3.47Å; D135-H137 VanDerWaalsContact OD1-CB 3.24Å; D135-H137 WeakPolarHBondContact OD1-CB 3.32Å; D135-H137 PolarHBondContact OD1-N 3.11Å; D135-D138 HydrophobicContact CB-CB 4.14Å; D135-D138 PolarHBondContact O-N 3.47Å; D135-V139 VanDerWaalsContact O-CG2 3.31Å; D135-V139 WeakPolarHBondContact O-CG2 3.39Å; D135-V139 PolarHBondContact O-N 2.91Å
136	F	97.7	Very high	98	Very high	102 Å²	102	87.6 Å²	87.6	45%	0.447	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-37.6	-177.4	177.4	-92.7	0	0	0	111.9	V139 Q140 L150	F136-V139 PolarHBondContact O-N 3.13Å; F136-Q140 HydrophobicContact CE1-CB 4.38Å; F136-Q140 WeakPolarHBondContact O-CB 3.48Å; F136-Q140 PolarHBondContact O-N 3.36Å; F136-L150 HydrophobicContact CD2-CD2 4.28Å; F136-L150 HydrophobicContact CE2-CD2 3.69Å; F136-L150 HydrophobicContact CE2-CG 4.5Å; F136-L150 HydrophobicContact CZ-CD2 4.04Å
137	H	97.9	Very high	98	Very high	114 Å²	114	89.9 Å²	89.9	53%	0.528	40%	0.401	S	S	.	.	H	α-helix	trans	-66.8	-42.8	179.8	-172.5	31.2	0	0	0	111	D135 V139 Q140 D141	D135-H137 VanDerWaalsContact C-N 3.34Å; D135-H137 PolarHBondContact O-N 3.32Å; D135-H137 WeakPolarHBondContact OD1-CA 3.47Å; D135-H137 VanDerWaalsContact OD1-CB 3.24Å; D135-H137 WeakPolarHBondContact OD1-CB 3.32Å; D135-H137 PolarHBondContact OD1-N 3.11Å; H137-V139 VanDerWaalsContact C-N 3.25Å; H137-V139 PolarHBondContact O-N 2.79Å; H137-Q140 PolarHBondContact O-N 3.28Å; H137-Q140 VanDerWaalsContact O-N 3.15Å; H137-D141 IonicContact CE1-OD1 2.67Å; H137-D141 PolarHBondContact CE1-OD1 3.26Å; H137-D141 IonicContact CE1-OD2 2.86Å; H137-D141 PolarHBondContact CE1-OD2 2.89Å; H137-D141 IonicContact ND1-OD1 2.81Å; H137-D141 PolarHBondContact ND1-OD1 2.74Å; H137-D141 IonicContact ND1-OD2 3.88Å; H137-D141 IonicContact NE2-OD2 3.23Å; H137-D141 WeakPolarHBondContact O-CB 3.42Å; H137-D141 PolarHBondContact O-N 3.29Å
138	D	97.7	Very high	98.1	Very high	101 Å²	101	85.3 Å²	85.3	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-37.7	175	-70.8	-14.7	0	0	0	112	D135 Y142	D135-D138 HydrophobicContact CB-CB 4.14Å; D135-D138 PolarHBondContact O-N 3.47Å; D138-Y142 WeakPolarHBondContact O-CB 3.37Å; D138-Y142 PolarHBondContact O-N 3.45Å
139	V	98.5	Very high	98.1	Very high	0 Å²	0	85.9 Å²	85.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-41.5	175.9	-171.6	0	0	0	0	111.6	Y88 F96 L117 V134 D135 F136 H137 Y142 A143 L150	Y88-V139 HydrophobicContact CE1-CG1 4.14Å; Y88-V139 HydrophobicContact CE2-CG2 4.09Å; Y88-V139 WeakPolarHBondContact OH-CG1 3.45Å; F96-V139 HydrophobicContact CD1-CG2 4.5Å; F96-V139 HydrophobicContact CD2-CG2 4.28Å; F96-V139 HydrophobicContact CE1-CG2 4.03Å; F96-V139 HydrophobicContact CE2-CB 4.27Å; F96-V139 HydrophobicContact CE2-CG1 3.79Å; F96-V139 HydrophobicContact CE2-CG2 3.84Å; F96-V139 HydrophobicContact CZ-CB 4.07Å; F96-V139 HydrophobicContact CZ-CG1 3.99Å; F96-V139 HydrophobicContact CZ-CG2 3.7Å; L117-V139 HydrophobicContact CD1-CG1 4.23Å; V134-V139 HydrophobicContact CG1-CG2 3.31Å; D135-V139 VanDerWaalsContact O-CG2 3.31Å; D135-V139 WeakPolarHBondContact O-CG2 3.39Å; D135-V139 PolarHBondContact O-N 2.91Å; F136-V139 PolarHBondContact O-N 3.13Å; H137-V139 VanDerWaalsContact C-N 3.25Å; H137-V139 PolarHBondContact O-N 2.79Å; V139-Y142 PolarHBondContact O-N 3.01Å; V139-A143 WeakPolarHBondContact O-CB 3.46Å; V139-A143 PolarHBondContact O-N 2.93Å; V139-L150 HydrophobicContact CB-CD1 4.5Å; V139-L150 HydrophobicContact CB-CD2 4.3Å; V139-L150 HydrophobicContact CG1-CD1 3.52Å; V139-L150 HydrophobicContact CG1-CD2 4.03Å; V139-L150 HydrophobicContact CG1-CG 4.43Å
140	Q	98.6	Very high	98.1	Very high	56 Å²	56	77 Å²	77	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-47.3	179.1	-174	62.4	63.4	0	0	111.1	F136 H137 Y142 A143 D144 L150	F136-Q140 HydrophobicContact CE1-CB 4.38Å; F136-Q140 WeakPolarHBondContact O-CB 3.48Å; F136-Q140 PolarHBondContact O-N 3.36Å; H137-Q140 PolarHBondContact O-N 3.28Å; H137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-Y142 VanDerWaalsContact C-N 3.28Å; Q140-Y142 PolarHBondContact O-N 3.48Å; Q140-A143 WeakPolarHBondContact O-CB 3.12Å; Q140-A143 PolarHBondContact O-N 3.47Å; Q140-A143 VanDerWaalsContact O-N 3.13Å; Q140-D144 PolarHBondContact NE2-OD1 3.21Å; Q140-D144 VanDerWaalsContact O-CG 3.3Å; Q140-D144 PolarHBondContact O-N 3.4Å; Q140-L150 HydrophobicContact CB-CD2 4.32Å
141	D	98.6	Very high	98.2	Very high	80 Å²	80	69.5 Å²	69.5	43%	0.428	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-41.1	176.8	-73.3	2.1	0	0	0	111.2	H137 N145	H137-D141 IonicContact CE1-OD1 2.67Å; H137-D141 PolarHBondContact CE1-OD1 3.26Å; H137-D141 IonicContact CE1-OD2 2.86Å; H137-D141 PolarHBondContact CE1-OD2 2.89Å; H137-D141 IonicContact ND1-OD1 2.81Å; H137-D141 PolarHBondContact ND1-OD1 2.74Å; H137-D141 IonicContact ND1-OD2 3.88Å; H137-D141 IonicContact NE2-OD2 3.23Å; H137-D141 WeakPolarHBondContact O-CB 3.42Å; H137-D141 PolarHBondContact O-N 3.29Å; D141-N145 WeakPolarHBondContact O-CB 3.22Å; D141-N145 PolarHBondContact O-N 3.35Å; D141-N145 VanDerWaalsContact O-N 3.11Å
142	Y	98.6	Very high	98.2	Very high	40 Å²	40	66.7 Å²	66.7	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-44.6	174.9	-179.4	-112.2	0	0	0	112	F96 K100 V103 L117 D138 V139 Q140 N145 I146	F96-Y142 HydrophobicContact CE2-CD1 4.07Å; F96-Y142 AromaticContact CZ-CD1 3.83Å; F96-Y142 HydrophobicContact CZ-CD1 3.83Å; F96-Y142 HydrophobicContact CZ-CG 4.18Å; K100-Y142 WeakPolarHBondContact CA-OH 3.34Å; K100-Y142 HydrophobicContact CG-CD1 4.36Å; K100-Y142 HydrophobicContact CG-CD2 4.5Å; K100-Y142 HydrophobicContact CG-CE1 3.86Å; K100-Y142 HydrophobicContact CG-CE2 4.03Å; V103-Y142 WeakPolarHBondContact CB-OH 3.4Å; V103-Y142 WeakPolarHBondContact CG1-OH 3.44Å; V103-Y142 HydrophobicContact CG2-CE1 4.41Å; L117-Y142 HydrophobicContact CD1-CD1 3.66Å; L117-Y142 HydrophobicContact CD1-CE1 4.01Å; L117-Y142 HydrophobicContact CD2-CE1 4.36Å; D138-Y142 WeakPolarHBondContact O-CB 3.37Å; D138-Y142 PolarHBondContact O-N 3.45Å; V139-Y142 PolarHBondContact O-N 3.01Å; Q140-Y142 VanDerWaalsContact C-N 3.28Å; Q140-Y142 PolarHBondContact O-N 3.48Å; Y142-N145 PolarHBondContact O-N 3.35Å; Y142-I146 HydrophobicContact CD1-CD1 4.27Å; Y142-I146 HydrophobicContact CD2-CG2 4.28Å; Y142-I146 HydrophobicContact CE1-CD1 3.69Å; Y142-I146 HydrophobicContact CE1-CG1 4.48Å; Y142-I146 HydrophobicContact CE1-CG2 4.44Å; Y142-I146 HydrophobicContact CE2-CG2 3.71Å; Y142-I146 WeakPolarHBondContact O-CG1 3.37Å; Y142-I146 PolarHBondContact O-N 3.36Å; Y142-I146 VanDerWaalsContact O-N 3.07Å
143	A	98.7	Very high	98.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-46.8	179.1	0	0	0	0	0	111.1	L117 V139 Q140 N145 I146 K147 A148 L150	L117-A143 HydrophobicContact CD1-CB 3.83Å; V139-A143 WeakPolarHBondContact O-CB 3.46Å; V139-A143 PolarHBondContact O-N 2.93Å; Q140-A143 WeakPolarHBondContact O-CB 3.12Å; Q140-A143 PolarHBondContact O-N 3.47Å; Q140-A143 VanDerWaalsContact O-N 3.13Å; A143-N145 PolarHBondContact O-N 3.34Å; A143-I146 CarbonylContact O-C 3.52Å; A143-I146 WeakPolarHBondContact O-CG1 3.34Å; A143-I146 PolarHBondContact O-N 3.19Å; A143-K147 WeakPolarHBondContact O-CA 3.47Å; A143-K147 PolarHBondContact O-N 2.85Å; A143-A148 PolarHBondContact O-N 3.11Å; A143-L150 HydrophobicContact CB-CB 4.34Å
144	D	98.4	Very high	98.2	Very high	99 Å²	99	56.5 Å²	56.5	53%	0.529	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-45.1	178.3	-68.4	-12.9	0	0	0	111	Q140 I146 K147	Q140-D144 PolarHBondContact NE2-OD1 3.21Å; Q140-D144 VanDerWaalsContact O-CG 3.3Å; Q140-D144 PolarHBondContact O-N 3.4Å; D144-I146 VanDerWaalsContact C-N 3.32Å; D144-I146 PolarHBondContact O-N 3.25Å; D144-K147 PolarHBondContact O-N 2.99Å; D144-K147 VanDerWaalsContact O-N 3.15Å
145	N	98	Very high	98.3	Very high	131 Å²	131	56.6 Å²	56.6	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-59.9	-39.9	177.9	-177.2	34.2	0	0	0	112.5	D141 Y142 A143	D141-N145 WeakPolarHBondContact O-CB 3.22Å; D141-N145 PolarHBondContact O-N 3.35Å; D141-N145 VanDerWaalsContact O-N 3.11Å; Y142-N145 PolarHBondContact O-N 3.35Å; A143-N145 PolarHBondContact O-N 3.34Å
146	I	97.1	Very high	98.3	Very high	24 Å²	24	56.8 Å²	56.8	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-91.8	3	179.3	71.4	167.4	0	0	0	113.9	V103 R107 I115 L117 Y142 A143 D144 A148	V103-I146 HydrophobicContact CB-CD1 4.43Å; V103-I146 HydrophobicContact CG1-CB 4.44Å; V103-I146 HydrophobicContact CG1-CD1 3.68Å; V103-I146 HydrophobicContact CG1-CG2 4.27Å; V103-I146 HydrophobicContact CG2-CD1 3.9Å; R107-I146 PolarHBondContact NH2-O 2.97Å; I115-I146 HydrophobicContact CG2-CD1 4.23Å; L117-I146 HydrophobicContact CD1-CD1 4.01Å; L117-I146 HydrophobicContact CG-CD1 4.34Å; Y142-I146 HydrophobicContact CD1-CD1 4.27Å; Y142-I146 HydrophobicContact CD2-CG2 4.28Å; Y142-I146 HydrophobicContact CE1-CD1 3.69Å; Y142-I146 HydrophobicContact CE1-CG1 4.48Å; Y142-I146 HydrophobicContact CE1-CG2 4.44Å; Y142-I146 HydrophobicContact CE2-CG2 3.71Å; Y142-I146 WeakPolarHBondContact O-CG1 3.37Å; Y142-I146 PolarHBondContact O-N 3.36Å; Y142-I146 VanDerWaalsContact O-N 3.07Å; A143-I146 CarbonylContact O-C 3.52Å; A143-I146 WeakPolarHBondContact O-CG1 3.34Å; A143-I146 PolarHBondContact O-N 3.19Å; D144-I146 VanDerWaalsContact C-N 3.32Å; D144-I146 PolarHBondContact O-N 3.25Å; I146-A148 VanDerWaalsContact C-N 3.25Å; I146-A148 HydrophobicContact CD1-CB 3.61Å; I146-A148 HydrophobicContact CG1-CB 3.58Å; I146-A148 PolarHBondContact O-N 3.42Å
147	K	97.3	Very high	98.3	Very high	173 Å²	173	55.7 Å²	55.7	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.3	-174.1	-55	176.9	-177.7	176.3	0	112.9	A143 D144	A143-K147 WeakPolarHBondContact O-CA 3.47Å; A143-K147 PolarHBondContact O-N 2.85Å; D144-K147 PolarHBondContact O-N 2.99Å; D144-K147 VanDerWaalsContact O-N 3.15Å
148	A	98.4	Very high	98.3	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	26%	0.264	C	S	.	.			trans	-94.5	154.6	173.9	0	0	0	0	0	110.7	I115 L117 A143 I146	I115-A148 HydrophobicContact CB-CB 3.97Å; I115-A148 HydrophobicContact CG2-CB 3.8Å; I115-A148 VanDerWaalsContact O-CA 3.25Å; I115-A148 WeakPolarHBondContact O-CA 3.42Å; I115-A148 WeakPolarHBondContact O-CB 3.34Å; L117-A148 HydrophobicContact CD1-CB 4.25Å; L117-A148 HydrophobicContact CG-CB 4.14Å; A143-A148 PolarHBondContact O-N 3.11Å; I146-A148 VanDerWaalsContact C-N 3.25Å; I146-A148 HydrophobicContact CD1-CB 3.61Å; I146-A148 HydrophobicContact CG1-CB 3.58Å; I146-A148 PolarHBondContact O-N 3.42Å
149	Q	98.3	Very high	98.4	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145	168	-66.9	177.9	55.5	0	0	109.8	I115 Y116 L117 F151 K167 D171	I115-Q149 PolarHBondContact O-N 2.88Å; I115-Q149 VanDerWaalsContact O-N 3.14Å; Y116-Q149 CarbonylContact C-O 3.44Å; Y116-Q149 WeakPolarHBondContact CA-O 3.1Å; Y116-Q149 HydrophobicContact CD1-CB 3.94Å; Y116-Q149 HydrophobicContact CE1-CB 4.27Å; L117-Q149 PolarHBondContact N-O 2.83Å; Q149-F151 HydrophobicContact CB-CE2 3.97Å; Q149-K167 VanDerWaalsContact OE1-CG 3.28Å; Q149-D171 PolarHBondContact NE2-OD2 2.7Å
150	L	98.7	Very high	98.4	Very high	33 Å²	33	51.6 Å²	51.6	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.7	-175.2	179.8	57.8	0	0	0	111.2	L117 F136 V139 Q140 A143	L117-L150 HydrophobicContact CB-CD1 3.98Å; F136-L150 HydrophobicContact CD2-CD2 4.28Å; F136-L150 HydrophobicContact CE2-CD2 3.69Å; F136-L150 HydrophobicContact CE2-CG 4.5Å; F136-L150 HydrophobicContact CZ-CD2 4.04Å; V139-L150 HydrophobicContact CB-CD1 4.5Å; V139-L150 HydrophobicContact CB-CD2 4.3Å; V139-L150 HydrophobicContact CG1-CD1 3.52Å; V139-L150 HydrophobicContact CG1-CD2 4.03Å; V139-L150 HydrophobicContact CG1-CG 4.43Å; Q140-L150 HydrophobicContact CB-CD2 4.32Å; A143-L150 HydrophobicContact CB-CB 4.34Å
151	F	98.8	Very high	98.4	Very high	35 Å²	35	49 Å²	49	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	174.5	-69.9	-98.9	0	0	0	110	Y116 L117 C118 G119 Q149 T153 L164 K167	Y116-F151 HydrophobicContact CD1-CD2 4.48Å; Y116-F151 AromaticContact CD1-CE2 3.94Å; Y116-F151 HydrophobicContact CD1-CE2 3.94Å; L117-F151 PolarHBondContact O-N 2.72Å; C118-F151 CarbonylContact C-O 3.54Å; C118-F151 WeakPolarHBondContact CA-O 3.4Å; G119-F151 PolarHBondContact N-O 2.96Å; Q149-F151 HydrophobicContact CB-CE2 3.97Å; F151-T153 HydrophobicContact CB-CG2 4.42Å; F151-L164 HydrophobicContact CB-CD1 4.25Å; F151-L164 HydrophobicContact CD1-CB 4.03Å; F151-L164 HydrophobicContact CD1-CD1 4.29Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.35Å; F151-L164 HydrophobicContact CE2-CD1 3.97Å; F151-L164 HydrophobicContact CG-CB 4.27Å; F151-L164 HydrophobicContact CG-CD1 3.77Å; F151-L164 HydrophobicContact CZ-CD1 4.47Å; F151-K167 HydrophobicContact CE2-CG 4.47Å; F151-K167 HydrophobicContact CZ-CB 3.9Å; F151-K167 HydrophobicContact CZ-CG 3.95Å
152	E	98.7	Very high	98.4	Very high	43 Å²	43	50.2 Å²	50.2	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.6	161	-65.2	-165.6	163.8	0	0	108.7	L90 G119 R132 S160	L90-E152 HydrophobicContact CD1-CB 4.17Å; L90-E152 HydrophobicContact CD1-CG 4.14Å; L90-E152 HydrophobicContact CD2-CG 4.02Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.34Å; G119-E152 CarbonylContact O-C 3.5Å; G119-E152 WeakPolarHBondContact O-CA 3.32Å; R132-E152 IonicContact CZ-OE1 2.78Å; R132-E152 VanDerWaalsContact CZ-OE1 3.25Å; R132-E152 IonicContact CZ-OE2 3.25Å; R132-E152 IonicContact NH1-OE1 3.33Å; R132-E152 PolarHBondContact NH1-OE1 3.39Å; R132-E152 IonicContact NH2-OE1 3.95Å; R132-E152 PolarHBondContact NH2-OE1 3.3Å; R132-E152 IonicContact NH2-OE2 2.76Å; R132-E152 PolarHBondContact NH2-OE2 3.38Å; E152-S160 WeakPolarHBondContact O-CB 3.48Å
153	T	98.9	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155	-173.1	63.6	0	0	0	0	112.1	C118 G119 T120 K121 S122 F151 Q159 L164	C118-T153 PolarHBondContact SG-OG1 2.75Å; G119-T153 PolarHBondContact O-N 3.29Å; T120-T153 CarbonylContact C-O 3.41Å; T120-T153 WeakPolarHBondContact CA-O 3.08Å; K121-T153 PolarHBondContact N-O 3.42Å; S122-T153 PolarHBondContact N-O 3.39Å; S122-T153 PolarHBondContact OG-O 2.77Å; F151-T153 HydrophobicContact CB-CG2 4.42Å; T153-Q159 VanDerWaalsContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CB-O 3.38Å; T153-L164 HydrophobicContact CG2-CD2 4.28Å
154	S	98.7	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.			trans	-124.6	115	164.3	174.6	0	0	0	0	110.1	S122 D123 K156 T157 G158 Q159	S122-S154 VanDerWaalsContact OG-CB 3.25Å; S122-S154 WeakPolarHBondContact OG-CB 3.34Å; S122-S154 PolarHBondContact OG-N 2.8Å; D123-S154 WeakPolarHBondContact CB-OG 3.48Å; D123-S154 VanDerWaalsContact CG-OG 3.26Å; D123-S154 WeakPolarHBondContact OD1-CB 3.31Å; D123-S154 PolarHBondContact OD1-OG 2.83Å; S154-K156 PolarHBondContact O-N 2.76Å; S154-K156 WeakPolarHBondContact OG-CB 3.46Å; S154-K156 PolarHBondContact OG-N 2.99Å; S154-K156 VanDerWaalsContact OG-N 3.13Å; S154-T157 VanDerWaalsContact CB-OG1 3.24Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 3.01Å; S154-T157 VanDerWaalsContact OG-N 3.08Å; S154-T157 PolarHBondContact OG-OG1 2.88Å; S154-G158 CarbonylContact O-C 3.48Å; S154-G158 VanDerWaalsContact O-CA 3.27Å; S154-G158 WeakPolarHBondContact O-CA 3.24Å; S154-G158 PolarHBondContact O-N 2.63Å; S154-Q159 PolarHBondContact N-O 2.88Å; S154-Q159 VanDerWaalsContact N-O 3.12Å; S154-Q159 PolarHBondContact O-N 2.9Å
155	S	98.6	Very high	98.4	Very high	8 Å²	8	49.3 Å²	49.3	6%	0.056	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24	168.9	-44.6	0	0	0	0	112	S22 L23 R26 F32	S22-S155 WeakPolarHBondContact O-CB 3.27Å; L23-S155 VanDerWaalsContact CA-OG 3.32Å; L23-S155 WeakPolarHBondContact CA-OG 3.36Å; L23-S155 PolarHBondContact N-OG 2.78Å; R26-S155 PolarHBondContact NE-O 3.15Å; R26-S155 PolarHBondContact NH2-O 2.58Å; F32-S155 WeakPolarHBondContact CD2-O 3.48Å
156	K	98.1	Very high	98.4	Very high	88 Å²	88	46 Å²	46	38%	0.383	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-49.7	178.8	-175.2	-174.6	178.2	-176	0	110.7	R26 F32 D123 E127 S154	R26-K156 PolarHBondContact NH2-O 3.36Å; F32-K156 HydrophobicContact CD1-CG 4.34Å; F32-K156 HydrophobicContact CD2-CB 4.3Å; F32-K156 HydrophobicContact CE1-CB 4.46Å; F32-K156 HydrophobicContact CE1-CG 4.33Å; F32-K156 HydrophobicContact CE2-CB 4.25Å; F32-K156 HydrophobicContact CG-CB 4.43Å; F32-K156 HydrophobicContact CZ-CB 4.32Å; D123-K156 HydrophobicContact CB-CB 4.42Å; D123-K156 HydrophobicContact CB-CD 4.16Å; D123-K156 WeakPolarHBondContact OD2-CD 3.37Å; D123-K156 IonicContact OD2-NZ 3.68Å; E127-K156 IonicContact OE1-NZ 3.78Å; E127-K156 PolarHBondContact OE1-NZ 3.17Å; S154-K156 PolarHBondContact O-N 2.76Å; S154-K156 WeakPolarHBondContact OG-CB 3.46Å; S154-K156 PolarHBondContact OG-N 2.99Å; S154-K156 VanDerWaalsContact OG-N 3.13Å
157	T	98.1	Very high	98.5	Very high	79 Å²	79	47.8 Å²	47.8	49%	0.485	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.5	-177	66.2	0	0	0	0	113.9	D123 S154 Q159	D123-T157 HydrophobicContact CB-CG2 4.07Å; S154-T157 VanDerWaalsContact CB-OG1 3.24Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 3.01Å; S154-T157 VanDerWaalsContact OG-N 3.08Å; S154-T157 PolarHBondContact OG-OG1 2.88Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.25Å; T157-Q159 PolarHBondContact OG1-N 3.27Å
158	G	98.5	Very high	98.5	Very high	25 Å²	25	39.6 Å²	39.6	26%	0.258	21%	0.205	S	C	.	.			trans	90.4	-3.1	-173.1	0	0	0	0	0	113.9	S154 S160 V161	S154-G158 CarbonylContact O-C 3.48Å; S154-G158 VanDerWaalsContact O-CA 3.27Å; S154-G158 WeakPolarHBondContact O-CA 3.24Å; S154-G158 PolarHBondContact O-N 2.63Å; G158-S160 PolarHBondContact O-N 3.05Å; G158-V161 PolarHBondContact O-N 3.29Å
159	Q	98.6	Very high	98.5	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.7	-177.7	-175.6	-174.3	9.9	0	0	112	S122 E126 T153 S154 T157 V161	S122-Q159 PolarHBondContact OG-OE1 3.15Å; E126-Q159 PolarHBondContact OE1-OE1 3.29Å; E126-Q159 VanDerWaalsContact OE1-OE1 3.04Å; T153-Q159 VanDerWaalsContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CB-O 3.38Å; S154-Q159 PolarHBondContact N-O 2.88Å; S154-Q159 VanDerWaalsContact N-O 3.12Å; S154-Q159 PolarHBondContact O-N 2.9Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.25Å; T157-Q159 PolarHBondContact OG1-N 3.27Å; Q159-V161 PolarHBondContact O-N 3.24Å
160	S	98.5	Very high	98.4	Very high	30 Å²	30	40 Å²	40	21%	0.21	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	12.8	176.7	-61.2	0	0	0	0	116.2	E152 G158 E163 L164	E152-S160 WeakPolarHBondContact O-CB 3.48Å; G158-S160 PolarHBondContact O-N 3.05Å; S160-E163 WeakPolarHBondContact CA-OE2 3.23Å; S160-E163 VanDerWaalsContact CB-OE2 3.23Å; S160-E163 WeakPolarHBondContact CB-OE2 3.37Å; S160-E163 PolarHBondContact OG-OE2 2.86Å; S160-L164 WeakPolarHBondContact O-CB 3.42Å; S160-L164 PolarHBondContact O-N 3.08Å; S160-L164 VanDerWaalsContact O-N 3.11Å
161	V	98.8	Very high	98.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-52.2	178.3	177.1	0	0	0	0	110.5	L23 R26 G158 Q159 E163 L164 F165	L23-V161 HydrophobicContact CD1-CB 4.22Å; L23-V161 HydrophobicContact CD1-CG1 3.82Å; L23-V161 HydrophobicContact CD1-CG2 3.64Å; R26-V161 HydrophobicContact CB-CG1 4.44Å; R26-V161 HydrophobicContact CG-CB 4.24Å; R26-V161 HydrophobicContact CG-CG1 3.99Å; R26-V161 HydrophobicContact CG-CG2 4Å; G158-V161 PolarHBondContact O-N 3.29Å; Q159-V161 PolarHBondContact O-N 3.24Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 3.23Å; V161-L164 PolarHBondContact O-N 3.31Å; V161-F165 HydrophobicContact CG1-CD2 4.31Å; V161-F165 HydrophobicContact CG1-CE2 4.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.21Å; V161-F165 PolarHBondContact O-N 2.88Å
162	D	98.2	Very high	98.3	Very high	106 Å²	106	41.4 Å²	41.4	57%	0.567	21%	0.21	S	C	*	.	H	α-helix	trans	-65.2	-38.9	178.9	-69.4	-27.1	0	0	0	111.6	Y27 L164 F165 Q166	Y27-D162 WeakPolarHBondContact CD2-OD1 3.29Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.47Å; D162-F165 PolarHBondContact O-N 3.09Å; D162-Q166 WeakPolarHBondContact O-CB 3.36Å; D162-Q166 PolarHBondContact O-N 2.81Å
163	E	98.6	Very high	98.1	Very high	119 Å²	119	40.3 Å²	40.3	56%	0.556	21%	0.206	S	C	*	.	H	α-helix	trans	-58	-43.4	176.9	-64.1	172	170.6	0	0	112	S160 V161 K167	S160-E163 WeakPolarHBondContact CA-OE2 3.23Å; S160-E163 VanDerWaalsContact CB-OE2 3.23Å; S160-E163 WeakPolarHBondContact CB-OE2 3.37Å; S160-E163 PolarHBondContact OG-OE2 2.86Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 3.23Å; E163-K167 VanDerWaalsContact O-CB 3.32Å; E163-K167 WeakPolarHBondContact O-CB 3.37Å; E163-K167 PolarHBondContact O-N 3.23Å
164	L	98.8	Very high	97.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-52.1	177.3	170.8	63.3	0	0	0	111.8	L23 I85 Y116 C118 F151 T153 S160 V161 D162 K167 V168	L23-L164 HydrophobicContact CD2-CD2 4.04Å; I85-L164 HydrophobicContact CD1-CD1 4.46Å; I85-L164 HydrophobicContact CD1-CD2 4.11Å; I85-L164 HydrophobicContact CD1-CG 4.14Å; I85-L164 HydrophobicContact CG2-CD2 3.97Å; Y116-L164 HydrophobicContact CD1-CD1 4.25Å; Y116-L164 HydrophobicContact CG-CD1 4.3Å; C118-L164 HydrophobicContact CB-CD2 4.23Å; F151-L164 HydrophobicContact CB-CD1 4.25Å; F151-L164 HydrophobicContact CD1-CB 4.03Å; F151-L164 HydrophobicContact CD1-CD1 4.29Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.35Å; F151-L164 HydrophobicContact CE2-CD1 3.97Å; F151-L164 HydrophobicContact CG-CB 4.27Å; F151-L164 HydrophobicContact CG-CD1 3.77Å; F151-L164 HydrophobicContact CZ-CD1 4.47Å; T153-L164 HydrophobicContact CG2-CD2 4.28Å; S160-L164 WeakPolarHBondContact O-CB 3.42Å; S160-L164 PolarHBondContact O-N 3.08Å; S160-L164 VanDerWaalsContact O-N 3.11Å; V161-L164 PolarHBondContact O-N 3.31Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.47Å; L164-K167 PolarHBondContact O-N 2.81Å; L164-V168 WeakPolarHBondContact O-CG2 3.42Å; L164-V168 PolarHBondContact O-N 3.42Å; L164-V168 VanDerWaalsContact O-N 3.15Å
165	F	98.6	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72.6	-32.3	-178.1	-74.6	-80.1	0	0	0	112.6	M12 L23 Y27 I61 I85 V161 D162 K167 V168 A169	M12-F165 HydrophobicContact CE-CZ 4.34Å; M12-F165 HydrophobicContact SD-CE1 4.45Å; M12-F165 HydrophobicContact SD-CZ 4.34Å; L23-F165 HydrophobicContact CG-CE2 4.19Å; Y27-F165 HydrophobicContact CD1-CB 4.25Å; Y27-F165 AromaticContact CD1-CD1 3.87Å; Y27-F165 HydrophobicContact CD1-CD1 3.87Å; Y27-F165 AromaticContact CD1-CD2 3.66Å; Y27-F165 HydrophobicContact CD1-CD2 3.66Å; Y27-F165 HydrophobicContact CD1-CE1 4.08Å; Y27-F165 AromaticContact CD1-CE2 3.9Å; Y27-F165 HydrophobicContact CD1-CE2 3.9Å; Y27-F165 AromaticContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CG 3.66Å; Y27-F165 HydrophobicContact CD1-CZ 4.1Å; Y27-F165 HydrophobicContact CD2-CB 3.84Å; Y27-F165 AromaticContact CD2-CD2 3.5Å; Y27-F165 HydrophobicContact CD2-CD2 3.5Å; Y27-F165 VanDerWaalsContact CD2-CD2 3.5Å; Y27-F165 HydrophobicContact CD2-CE2 4.26Å; Y27-F165 AromaticContact CD2-CG 3.82Å; Y27-F165 HydrophobicContact CD2-CG 3.82Å; Y27-F165 HydrophobicContact CE1-CB 3.84Å; Y27-F165 AromaticContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD2 4.15Å; Y27-F165 HydrophobicContact CE1-CE1 4.41Å; Y27-F165 AromaticContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE1-CG 3.67Å; Y27-F165 HydrophobicContact CE2-CB 3.4Å; Y27-F165 VanDerWaalsContact CE2-CB 3.4Å; Y27-F165 HydrophobicContact CE2-CD2 4.01Å; Y27-F165 AromaticContact CE2-CG 3.84Å; Y27-F165 HydrophobicContact CE2-CG 3.84Å; Y27-F165 HydrophobicContact CG-CB 4.24Å; Y27-F165 HydrophobicContact CG-CD1 4.37Å; Y27-F165 AromaticContact CG-CD2 3.3Å; Y27-F165 HydrophobicContact CG-CD2 3.3Å; Y27-F165 AromaticContact CG-CE2 3.63Å; Y27-F165 HydrophobicContact CG-CE2 3.63Å; Y27-F165 AromaticContact CG-CG 3.73Å; Y27-F165 HydrophobicContact CG-CG 3.73Å; Y27-F165 HydrophobicContact CG-CZ 4.29Å; Y27-F165 AromaticContact CZ-CG 3.76Å; I61-F165 HydrophobicContact CD1-CD1 4.04Å; I61-F165 HydrophobicContact CD1-CE1 3.65Å; I61-F165 HydrophobicContact CD1-CZ 4.4Å; I61-F165 HydrophobicContact CG1-CE1 4.26Å; I85-F165 HydrophobicContact CD1-CD1 4.01Å; I85-F165 HydrophobicContact CD1-CE1 3.53Å; I85-F165 HydrophobicContact CD1-CZ 3.85Å; V161-F165 HydrophobicContact CG1-CD2 4.31Å; V161-F165 HydrophobicContact CG1-CE2 4.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.21Å; V161-F165 PolarHBondContact O-N 2.88Å; D162-F165 PolarHBondContact O-N 3.09Å; F165-K167 VanDerWaalsContact C-N 3.32Å; F165-V168 PolarHBondContact O-N 3.29Å; F165-A169 PolarHBondContact O-N 3.13Å
166	Q	98.1	Very high	97	Very high	63 Å²	63	48.6 Å²	48.6	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-58.6	-47.3	171	179.8	66	36	0	0	110.4	M50 D162 V168 A169 E170	M50-Q166 HydrophobicContact CE-CB 4.48Å; D162-Q166 WeakPolarHBondContact O-CB 3.36Å; D162-Q166 PolarHBondContact O-N 2.81Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 2.92Å; Q166-A169 PolarHBondContact O-N 3.36Å; Q166-A169 VanDerWaalsContact O-N 3.15Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.24Å; Q166-E170 WeakPolarHBondContact O-CG 3.18Å; Q166-E170 PolarHBondContact O-N 3.35Å
167	K	98.5	Very high	96.5	Very high	61 Å²	61	45.5 Å²	45.5	27%	0.265	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-40.5	179.1	-174.2	56.3	173.1	158.1	0	112.7	Y116 Q149 F151 E163 L164 F165 A169 E170 D171	Y116-K167 HydrophobicContact CE1-CG 3.99Å; Q149-K167 VanDerWaalsContact OE1-CG 3.28Å; F151-K167 HydrophobicContact CE2-CG 4.47Å; F151-K167 HydrophobicContact CZ-CB 3.9Å; F151-K167 HydrophobicContact CZ-CG 3.95Å; E163-K167 VanDerWaalsContact O-CB 3.32Å; E163-K167 WeakPolarHBondContact O-CB 3.37Å; E163-K167 PolarHBondContact O-N 3.23Å; L164-K167 PolarHBondContact O-N 2.81Å; F165-K167 VanDerWaalsContact C-N 3.32Å; K167-A169 VanDerWaalsContact C-N 3.3Å; K167-A169 PolarHBondContact O-N 3.08Å; K167-E170 PolarHBondContact O-N 3.35Å; K167-D171 VanDerWaalsContact CE-OD1 3.25Å; K167-D171 WeakPolarHBondContact CE-OD1 3.48Å; K167-D171 WeakPolarHBondContact CE-OD2 3.24Å; K167-D171 IonicContact NZ-OD1 3.98Å; K167-D171 PolarHBondContact NZ-OD1 3.35Å; K167-D171 IonicContact NZ-OD2 2.76Å; K167-D171 VanDerWaalsContact O-CG 3.28Å; K167-D171 PolarHBondContact O-N 3.12Å
168	V	98.4	Very high	95.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-44.8	174.1	172.9	0	0	0	0	111.5	V10 L59 A83 I85 Y116 L164 F165 Q166 Y172	V10-V168 HydrophobicContact CG2-CG1 3.77Å; L59-V168 HydrophobicContact CD2-CB 4.41Å; L59-V168 HydrophobicContact CD2-CG1 3.92Å; A83-V168 HydrophobicContact CB-CG1 3.73Å; I85-V168 HydrophobicContact CD1-CG2 4.27Å; I85-V168 HydrophobicContact CG1-CG2 4.39Å; Y116-V168 HydrophobicContact CD1-CG2 4.26Å; Y116-V168 HydrophobicContact CD2-CG2 3.8Å; Y116-V168 HydrophobicContact CE1-CG2 4.1Å; Y116-V168 HydrophobicContact CE2-CB 4.36Å; Y116-V168 HydrophobicContact CE2-CG2 3.61Å; Y116-V168 HydrophobicContact CG-CG2 4.13Å; L164-V168 WeakPolarHBondContact O-CG2 3.42Å; L164-V168 PolarHBondContact O-N 3.42Å; L164-V168 VanDerWaalsContact O-N 3.15Å; F165-V168 PolarHBondContact O-N 3.29Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 2.92Å; V168-Y172 WeakPolarHBondContact O-CB 3.15Å; V168-Y172 PolarHBondContact O-N 3.06Å
169	A	97.6	Very high	95.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.9	-39	-179.3	0	0	0	0	0	112.6	M50 V52 L59 F165 Q166 K167 Y172 V173	M50-A169 HydrophobicContact CE-CB 3.65Å; M50-A169 HydrophobicContact CG-CB 4.27Å; M50-A169 HydrophobicContact SD-CB 3.38Å; M50-A169 WeakPolarHBondContact SD-CB 3.33Å; V52-A169 HydrophobicContact CG2-CB 3.59Å; L59-A169 HydrophobicContact CD1-CB 4.39Å; F165-A169 PolarHBondContact O-N 3.13Å; Q166-A169 PolarHBondContact O-N 3.36Å; Q166-A169 VanDerWaalsContact O-N 3.15Å; K167-A169 VanDerWaalsContact C-N 3.3Å; K167-A169 PolarHBondContact O-N 3.08Å; A169-Y172 PolarHBondContact O-N 2.62Å; A169-V173 WeakPolarHBondContact O-CG2 3.24Å; A169-V173 PolarHBondContact O-N 3.17Å
170	E	97.6	Very high	94.4	Very high	73 Å²	73	53.3 Å²	53.3	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.7	-77	171.7	-178.4	0	0	113	V52 Q166 K167 Y172 V173 S174	V52-E170 HydrophobicContact CG1-CB 4.43Å; V52-E170 HydrophobicContact CG1-CG 3.72Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.24Å; Q166-E170 WeakPolarHBondContact O-CG 3.18Å; Q166-E170 PolarHBondContact O-N 3.35Å; K167-E170 PolarHBondContact O-N 3.35Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; E170-V173 PolarHBondContact O-N 3.27Å; E170-S174 WeakPolarHBondContact O-CB 3.47Å; E170-S174 PolarHBondContact O-N 2.67Å; E170-S174 PolarHBondContact O-OG 2.81Å
171	D	97.4	Very high	93.4	Very high	29 Å²	29	58 Å²	58	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-40.5	178.8	-67.5	-25.2	0	0	0	110.8	Y116 Q149 K167 S174 V175	Y116-D171 WeakPolarHBondContact OH-CB 3.1Å; Y116-D171 PolarHBondContact OH-OD2 3.27Å; Q149-D171 PolarHBondContact NE2-OD2 2.7Å; K167-D171 VanDerWaalsContact CE-OD1 3.25Å; K167-D171 WeakPolarHBondContact CE-OD1 3.48Å; K167-D171 WeakPolarHBondContact CE-OD2 3.24Å; K167-D171 IonicContact NZ-OD1 3.98Å; K167-D171 PolarHBondContact NZ-OD1 3.35Å; K167-D171 IonicContact NZ-OD2 2.76Å; K167-D171 VanDerWaalsContact O-CG 3.28Å; K167-D171 PolarHBondContact O-N 3.12Å; D171-S174 PolarHBondContact O-N 3.39Å; D171-V175 WeakPolarHBondContact O-CG2 3.14Å; D171-V175 PolarHBondContact O-N 3.03Å
172	Y	96	Very high	92.5	Very high	69 Å²	69	61.3 Å²	61.3	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-47.9	173.6	170.4	-99.8	0	0	0	112	D7 V8 V57 V168 A169 E170 S174 V175 A176	D7-Y172 HydrophobicContact CB-CE1 3.99Å; D7-Y172 WeakPolarHBondContact O-CE2 3.49Å; D7-Y172 VanDerWaalsContact O-CZ 3.26Å; D7-Y172 PolarHBondContact O-OH 3.11Å; V8-Y172 HydrophobicContact CB-CD1 4.14Å; V8-Y172 HydrophobicContact CB-CD2 3.84Å; V8-Y172 HydrophobicContact CB-CE1 4.4Å; V8-Y172 HydrophobicContact CB-CE2 4.1Å; V8-Y172 HydrophobicContact CB-CG 3.85Å; V8-Y172 HydrophobicContact CG2-CD2 3.71Å; V8-Y172 HydrophobicContact CG2-CE2 4.33Å; V8-Y172 HydrophobicContact CG2-CG 3.89Å; V57-Y172 HydrophobicContact CG1-CD1 3.98Å; V57-Y172 HydrophobicContact CG1-CE1 4.18Å; V168-Y172 WeakPolarHBondContact O-CB 3.15Å; V168-Y172 PolarHBondContact O-N 3.06Å; A169-Y172 PolarHBondContact O-N 2.62Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-S174 VanDerWaalsContact C-N 3.31Å; Y172-S174 PolarHBondContact O-N 2.68Å; Y172-V175 PolarHBondContact O-N 2.93Å; Y172-A176 WeakPolarHBondContact O-CB 3.48Å; Y172-A176 PolarHBondContact O-N 3.3Å
173	V	95.4	Very high	91.3	Very high	19 Å²	19	63.5 Å²	63.5	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-40.7	179	163	0	0	0	0	111.6	V52 R55 V57 A169 E170 A176 A177	V52-V173 HydrophobicContact CB-CG2 4.12Å; V52-V173 HydrophobicContact CG1-CB 4.21Å; V52-V173 HydrophobicContact CG1-CG1 4.32Å; V52-V173 HydrophobicContact CG1-CG2 4.13Å; R55-V173 PolarHBondContact NH1-O 2.67Å; V57-V173 HydrophobicContact CG2-CG2 3.48Å; V57-V173 VanDerWaalsContact CG2-CG2 3.48Å; A169-V173 WeakPolarHBondContact O-CG2 3.24Å; A169-V173 PolarHBondContact O-N 3.17Å; E170-V173 PolarHBondContact O-N 3.27Å; V173-A176 PolarHBondContact O-N 3.11Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.76Å
174	S	94.8	Very high	89.8	Confident	75 Å²	75	64.9 Å²	64.9	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-45.8	179.4	-59.6	0	0	0	0	111.5	E170 D171 Y172 A177 F178	E170-S174 WeakPolarHBondContact O-CB 3.47Å; E170-S174 PolarHBondContact O-N 2.67Å; E170-S174 PolarHBondContact O-OG 2.81Å; D171-S174 PolarHBondContact O-N 3.39Å; Y172-S174 VanDerWaalsContact C-N 3.31Å; Y172-S174 PolarHBondContact O-N 2.68Å; S174-A177 PolarHBondContact O-N 2.76Å; S174-F178 PolarHBondContact O-N 3.46Å
175	V	91.8	Very high	87.9	Confident	84 Å²	84	72.9 Å²	72.9	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176.2	172.7	0	0	0	0	111.1	D171 Y172 A177 F178 Q179	D171-V175 WeakPolarHBondContact O-CG2 3.14Å; D171-V175 PolarHBondContact O-N 3.03Å; Y172-V175 PolarHBondContact O-N 2.93Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 2.91Å; V175-F178 PolarHBondContact O-N 3.5Å; V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 3.04Å
176	A	87.7	Confident	85.7	Confident	23 Å²	23	75.8 Å²	75.8	19%	0.19	40%	0.404	C	S	.	.	H	α-helix	trans	-63.4	-38.5	178.9	0	0	0	0	0	112.1	Y172 V173 V180	Y172-A176 WeakPolarHBondContact O-CB 3.48Å; Y172-A176 PolarHBondContact O-N 3.3Å; V173-A176 PolarHBondContact O-N 3.11Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.81Å
177	A	86.5	Confident	83.7	Confident	23 Å²	23	78.4 Å²	78.4	19%	0.19	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-42.2	174.8	0	0	0	0	0	112	V173 S174 V175 V180 M181	V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.76Å; S174-A177 PolarHBondContact O-N 2.76Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 2.91Å; A177-V180 PolarHBondContact O-N 2.78Å; A177-M181 WeakPolarHBondContact O-CG 3.34Å; A177-M181 PolarHBondContact O-N 3.02Å
178	F	85.9	Confident	81.8	Confident	140 Å²	140	80.5 Å²	80.5	61%	0.614	44%	0.438	S	S	*	.	H	α-helix	trans	-63.7	-42.1	178.1	-177	-100.3	0	0	0	112.3	S174 V175 V180 M181 T182	S174-F178 PolarHBondContact O-N 3.46Å; V175-F178 PolarHBondContact O-N 3.5Å; F178-V180 PolarHBondContact O-N 3.04Å; F178-M181 PolarHBondContact O-N 3.33Å; F178-T182 HydrophobicContact CD1-CG2 4.16Å; F178-T182 HydrophobicContact CE1-CG2 3.73Å; F178-T182 HydrophobicContact CE2-CG2 4.26Å; F178-T182 HydrophobicContact CZ-CG2 3.79Å; F178-T182 WeakPolarHBondContact O-CG2 3.42Å; F178-T182 PolarHBondContact O-N 2.79Å; F178-T182 PolarHBondContact O-OG1 3.15Å
179	Q	84.2	Confident	79.9	Confident	107 Å²	107	87.9 Å²	87.9	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-46.8	178.1	-73	177.4	-36.1	0	0	112.1	V175 M181 T182 E183	V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 3.04Å; Q179-M181 VanDerWaalsContact C-N 3.31Å; Q179-M181 PolarHBondContact O-N 3.39Å; Q179-T182 PolarHBondContact O-N 3.49Å; Q179-T182 VanDerWaalsContact O-N 3.12Å; Q179-T182 PolarHBondContact O-OG1 3.08Å; Q179-E183 WeakPolarHBondContact O-CG 3.5Å; Q179-E183 PolarHBondContact O-N 2.93Å
180	V	80.3	Confident	77.7	Confident	96 Å²	96	92.1 Å²	92.1	58%	0.582	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-41.1	176.8	174.3	0	0	0	0	111.6	A176 A177 F178 T182 E183 D184	A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.81Å; A177-V180 PolarHBondContact O-N 2.78Å; F178-V180 PolarHBondContact O-N 3.04Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.78Å; V180-E183 PolarHBondContact O-N 3.04Å; V180-D184 PolarHBondContact O-N 3.2Å
181	M	78.4	Confident	75.2	Confident	129 Å²	129	96.7 Å²	96.7	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-67.5	-30.3	177.7	-69.7	-175.8	-175.7	0	0	113.4	A177 F178 Q179	A177-M181 WeakPolarHBondContact O-CG 3.34Å; A177-M181 PolarHBondContact O-N 3.02Å; F178-M181 PolarHBondContact O-N 3.33Å; Q179-M181 VanDerWaalsContact C-N 3.31Å; Q179-M181 PolarHBondContact O-N 3.39Å
182	T	79.2	Confident	72.6	Confident	71 Å²	71	104.4 Å²	104.4	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-79.6	-30.4	178	57.4	0	0	0	0	113	F178 Q179 V180 K185	F178-T182 HydrophobicContact CD1-CG2 4.16Å; F178-T182 HydrophobicContact CE1-CG2 3.73Å; F178-T182 HydrophobicContact CE2-CG2 4.26Å; F178-T182 HydrophobicContact CZ-CG2 3.79Å; F178-T182 WeakPolarHBondContact O-CG2 3.42Å; F178-T182 PolarHBondContact O-N 2.79Å; F178-T182 PolarHBondContact O-OG1 3.15Å; Q179-T182 PolarHBondContact O-N 3.49Å; Q179-T182 VanDerWaalsContact O-N 3.12Å; Q179-T182 PolarHBondContact O-OG1 3.08Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.78Å; T182-K185 PolarHBondContact O-N 3.28Å
183	E	73.2	Confident	70.1	Confident	152 Å²	152	105.3 Å²	105.3	71%	0.71	58%	0.582	S	S	*	*	H	α-helix	trans	-69.4	-40	175.7	-72.8	175.8	178	0	0	111.8	Q179 V180 K185 G186	Q179-E183 WeakPolarHBondContact O-CG 3.5Å; Q179-E183 PolarHBondContact O-N 2.93Å; V180-E183 PolarHBondContact O-N 3.04Å; E183-K185 PolarHBondContact O-N 2.7Å; E183-G186 PolarHBondContact O-N 3.33Å
184	D	68.5	Low	67.4	Low	148 Å²	148	111.5 Å²	111.5	79%	0.791	61%	0.614	S	S	*	*	H	α-helix	trans	-65.9	-22.9	177.6	-166.7	51.8	0	0	0	113	V180 G186	V180-D184 PolarHBondContact O-N 3.2Å; D184-G186 VanDerWaalsContact C-N 3.34Å
185	K	57.6	Low	65.2	Low	167 Å²	167	112.4 Å²	112.4	73%	0.726	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	15.7	177.4	-68.3	-172.2	-178.2	-177.4	0	114.1	T182 E183 V187	T182-K185 PolarHBondContact O-N 3.28Å; E183-K185 PolarHBondContact O-N 2.7Å; K185-V187 PolarHBondContact O-N 2.94Å
186	G	53.3	Low	62.8	Low	61 Å²	61	117.7 Å²	117.7	63%	0.629	63%	0.631	S	S	*	*			trans	-49.8	105.8	170.7	0	0	0	0	0	110.5	E183 D184 D188	E183-G186 PolarHBondContact O-N 3.33Å; D184-G186 VanDerWaalsContact C-N 3.34Å; G186-D188 PolarHBondContact O-N 3.07Å
187	V	56	Low	60.7	Low	119 Å²	119	126.6 Å²	126.6	72%	0.721	67%	0.665	S	S	*	*			trans	-69.1	113.5	177.6	176.6	0	0	0	0	107.4	K185 L189	K185-V187 PolarHBondContact O-N 2.94Å; V187-L189 HydrophobicContact CG1-CD2 4.27Å; V187-L189 HydrophobicContact CG1-CG 4.49Å; V187-L189 PolarHBondContact O-N 2.8Å
188	D	58.4	Low	58.6	Low	105 Å²	105	135.5 Å²	135.5	56%	0.561	70%	0.696	S	S	*	*			trans	-67.3	96.9	170	-175.4	6	0	0	0	109.5	G186 S190	G186-D188 PolarHBondContact O-N 3.07Å; D188-S190 PolarHBondContact O-N 2.96Å; D188-S190 WeakPolarHBondContact OD1-CA 3.39Å; D188-S190 WeakPolarHBondContact OD1-CB 3.22Å; D188-S190 PolarHBondContact OD1-N 2.95Å; D188-S190 PolarHBondContact OD1-OG 2.9Å; D188-S190 PolarHBondContact OD2-OG 3.28Å; D188-S190 VanDerWaalsContact OD2-OG 3.11Å
189	L	59.2	Low	56.5	Low	156 Å²	156	134.5 Å²	134.5	82%	0.817	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	2.8	174.8	-70.9	170.4	0	0	0	112.8	V187	V187-L189 HydrophobicContact CG1-CD2 4.27Å; V187-L189 HydrophobicContact CG1-CG 4.49Å; V187-L189 PolarHBondContact O-N 2.8Å
190	S	49.6	Very low	54.1	Low	88 Å²	88	134.4 Å²	134.4	62%	0.615	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-6.4	178.2	80.1	0	0	0	0	114.3	D188 K192	D188-S190 PolarHBondContact O-N 2.96Å; D188-S190 WeakPolarHBondContact OD1-CA 3.39Å; D188-S190 WeakPolarHBondContact OD1-CB 3.22Å; D188-S190 PolarHBondContact OD1-N 2.95Å; D188-S190 PolarHBondContact OD1-OG 2.9Å; D188-S190 PolarHBondContact OD2-OG 3.28Å; D188-S190 VanDerWaalsContact OD2-OG 3.11Å; S190-K192 PolarHBondContact O-N 3.07Å
191	Q	45.3	Very low	52.1	Low	170 Å²	170	134.8 Å²	134.8	79%	0.794	72%	0.722	S	S	*	*			trans	-77	71.9	164.1	-68.4	-166	16.4	0	0	110.6	A193	Q191-A193 PolarHBondContact O-N 3Å
192	K	42.8	Very low	50.7	Low	190 Å²	190	137.6 Å²	137.6	83%	0.826	73%	0.733	S	S	*	*			trans	-58.1	105.9	155.7	-76.4	-177.5	177.4	178.1	0	106.9	S190 N194	S190-K192 PolarHBondContact O-N 3.07Å; K192-N194 PolarHBondContact O-N 3.22Å
193	A	44.6	Very low	49.3	Very low	89 Å²	89	146.4 Å²	146.4	74%	0.736	77%	0.769	S	S	*	*			trans	-49.7	109.2	161	0	0	0	0	0	107.1	Q191 P195	Q191-A193 PolarHBondContact O-N 3Å; A193-P195 WeakPolarHBondContact O-CD 3.4Å; A193-P195 WeakPolarHBondContact O-CG 3.32Å; A193-P195 VanDerWaalsContact O-N 3.11Å
194	N	38.9	Very low	48.1	Very low	148 Å²	148	146.1 Å²	146.1	79%	0.791	77%	0.771	S	S	*	*			trans	-62.2	105.7	-175.4	-168.8	11.9	0	0	0	109.2	K192	K192-N194 PolarHBondContact O-N 3.22Å
195	P	48.5	Very low	47.1	Very low	95 Å²	95	146 Å²	146	62%	0.617	77%	0.77	S	S	*	*			trans	-109.1	69.7	-173.9	33.2	-14.3	0	0	0	109	A193	A193-P195 WeakPolarHBondContact O-CD 3.4Å; A193-P195 WeakPolarHBondContact O-CG 3.32Å; A193-P195 VanDerWaalsContact O-N 3.11Å
196	Y	40.5	Very low	46.5	Very low	195 Å²	195	144.8 Å²	144.8	77%	0.765	77%	0.773	S	S	*	*			trans	-145.2	66.9	169.6	-68.4	-74.1	0	0	0	111.4
197	F	43.6	Very low	46.1	Very low	209 Å²	209	149.8 Å²	149.8	92%	0.917	78%	0.781	S	S	*	*			trans	-101.3	82.2	147.4	-90.4	-83.6	0	0	0	107.8
198	Y	43.4	Very low	45.5	Very low	211 Å²	211	151.7 Å²	151.7	83%	0.827	79%	0.785	S	S	*	*			trans	-123.8	89.6	156.5	-84.7	-77	0	0	0	107.3
199	S	42	Very low	44.6	Very low	119 Å²	119	154.8 Å²	154.8	83%	0.832	80%	0.8	S	S	*	*			trans	-94.2	93.8	161.5	168.9	0	0	0	0	106.9
200	C	33.3	Very low	43.5	Very low	104 Å²	104	154.7 Å²	154.7	70%	0.703	80%	0.799	S	S	*	*			trans	-136.1	135.8	165.5	-75.6	0	0	0	0	109.5
201	C	38.2	Very low	43.1	Very low	105 Å²	105	159.8 Å²	159.8	71%	0.709	81%	0.813	S	S	*	*			trans	88.9	111.7	166.5	-53.3	0	0	0	0	117.5
202	H	48.8	Very low	42.9	Very low	188 Å²	188	159 Å²	159	87%	0.87	82%	0.815	S	S	*	*				-164.6	100.6	111.9	-88.7	-68.5	0	0	0	106.3
203	H	50.2	Low	42.9	Very low	255 Å²	255	156.2 Å²	156.2	100%	1.181	81%	0.813	S	S	*	*				50.7	0	110.4	-82.4	52.9	0	0	0	113.7

Retrieved 203 of 203 residues in 55.2 ms (Link to these results)

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