RAB24_HUMAN Loading...

Ras-related protein Rab-24

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

AlphaFold DB , UniProt , Accession Q969Q5, Species HUMAN (Homo sapiens, Human), Gene RAB24, Length 203 aa.

Structure Viewer

Loading PAE data...

(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	43.7	Very low	82.9	Confident	244 Å²	244	77 Å²	77	100%	1.202	40%	0.403	S	S	*	.				0	106	0	-64.1	173.5	-174.1	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.2Å
2	S	55.8	Low	84.2	Confident	126 Å²	126	70.6 Å²	70.6	88%	0.881	37%	0.369	S	S	*	.			trans	-78.2	77.7	174.2	58.6	0	0	0	0	108.3	Q4	S2-Q4 PolarHBondContact O-N 3.47Å
3	G	64.9	Low	85.2	Confident	33 Å²	33	65.2 Å²	65.2	34%	0.34	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-54.7	139.2	173	0	0	0	0	0	109.5	M1 R5 D54	M1-G3 PolarHBondContact O-N 3.2Å; G3-R5 PolarHBondContact O-N 3.05Å; G3-D54 WeakPolarHBondContact CA-O 3.46Å
4	Q	80.8	Confident	86.1	Confident	103 Å²	103	60.5 Å²	60.5	48%	0.481	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.1	124.5	178.7	-170.1	177.5	25.2	0	0	108.4	S2 R55 T56	S2-Q4 PolarHBondContact O-N 3.47Å; Q4-R55 HydrophobicContact CB-CG 4.39Å; Q4-R55 WeakPolarHBondContact O-CA 3.45Å; Q4-T56 PolarHBondContact O-N 2.93Å
5	R	88.1	Confident	86.8	Confident	164 Å²	164	59.9 Å²	59.9	62%	0.619	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	129.4	178.4	-171.9	175.4	178.9	172.1	1.7	109.5	G3 D7 T56 T58	G3-R5 PolarHBondContact O-N 3.05Å; R5-D7 IonicContact NE-OD1 2.77Å; R5-T56 VanDerWaalsContact CA-O 3.31Å; R5-T56 WeakPolarHBondContact CA-O 3.12Å; R5-T58 PolarHBondContact NE-OG1 2.9Å; R5-T58 PolarHBondContact NH2-OG1 2.94Å; R5-T58 VanDerWaalsContact NH2-OG1 3.15Å
6	V	92.8	Very high	87.3	Confident	20 Å²	20	59.6 Å²	59.6	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.9	174.2	-61.9	0	0	0	0	109.6	T56 V57 T58 Y172 V173	V6-T56 PolarHBondContact N-O 3.28Å; V6-V57 HydrophobicContact CG2-CB 4.33Å; V6-V57 HydrophobicContact CG2-CG1 4.28Å; V6-V57 HydrophobicContact CG2-CG2 3.83Å; V6-V57 CarbonylContact O-C 3.57Å; V6-V57 VanDerWaalsContact O-CA 3.31Å; V6-V57 WeakPolarHBondContact O-CA 3.35Å; V6-T58 PolarHBondContact O-N 2.94Å; V6-Y172 HydrophobicContact CB-CE1 4.17Å; V6-Y172 HydrophobicContact CG2-CD1 4.34Å; V6-Y172 HydrophobicContact CG2-CE1 4.17Å; V6-V173 HydrophobicContact CG2-CG2 4.24Å
7	D	94.6	Very high	87.8	Confident	99 Å²	99	63 Å²	63	53%	0.529	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.3	177.1	-58	-36.1	0	0	0	108.7	R5 T58 Y172	R5-D7 IonicContact NE-OD1 2.77Å; D7-T58 WeakPolarHBondContact CA-O 3.42Å; D7-T58 WeakPolarHBondContact OD1-CB 3.28Å; D7-T58 PolarHBondContact OD1-OG1 3.07Å; D7-Y172 PolarHBondContact O-OH 2.69Å
8	V	96.7	Very high	88.3	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.3	178.3	65.3	0	0	0	0	109.8	V10 V57 T58 L59 G60 K82 Y172	V8-V10 HydrophobicContact CG1-CG2 4.2Å; V8-V57 HydrophobicContact CG1-CG1 3.95Å; V8-T58 PolarHBondContact N-O 2.82Å; V8-L59 HydrophobicContact CG1-CD2 3.14Å; V8-L59 HydrophobicContact CG1-CG 4.36Å; V8-G60 PolarHBondContact O-N 3.1Å; V8-K82 HydrophobicContact CG2-CB 3.82Å; V8-Y172 HydrophobicContact CB-CD1 3.58Å; V8-Y172 HydrophobicContact CB-CD2 4.18Å; V8-Y172 HydrophobicContact CB-CE1 3.62Å; V8-Y172 HydrophobicContact CB-CE2 4.26Å; V8-Y172 HydrophobicContact CB-CG 3.83Å; V8-Y172 HydrophobicContact CG1-CD1 4.33Å; V8-Y172 HydrophobicContact CG2-CD1 3.86Å; V8-Y172 HydrophobicContact CG2-CD2 3.54Å; V8-Y172 HydrophobicContact CG2-CE1 4.08Å; V8-Y172 HydrophobicContact CG2-CE2 3.82Å; V8-Y172 HydrophobicContact CG2-CG 3.54Å
9	K	97.6	Very high	88.8	Confident	55 Å²	55	57 Å²	57	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.6	174.6	-176.9	176.1	176.8	-176.9	0	109.2	Y77 R79 A81 K82 A83	K9-Y77 WeakPolarHBondContact CE-O 3.1Å; K9-Y77 PolarHBondContact NZ-O 3.13Å; K9-R79 PolarHBondContact NZ-O 3.46Å; K9-A81 HydrophobicContact CG-CB 4.42Å; K9-K82 PolarHBondContact O-N 2.94Å; K9-A83 PolarHBondContact O-N 3.48Å
10	V	98.6	Very high	89.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	177.1	-170.5	0	0	0	0	108.6	V8 L59 G60 I61 W62 A83 I85 V168	V8-V10 HydrophobicContact CG1-CG2 4.2Å; V10-L59 HydrophobicContact CG2-CD2 4.3Å; V10-G60 PolarHBondContact N-O 3.26Å; V10-I61 HydrophobicContact CB-CG1 4.33Å; V10-I61 CarbonylContact O-C 3.51Å; V10-I61 WeakPolarHBondContact O-CA 3.23Å; V10-W62 PolarHBondContact O-N 3.11Å; V10-A83 WeakPolarHBondContact CA-O 3.45Å; V10-A83 HydrophobicContact CG1-CB 4.36Å; V10-A83 HydrophobicContact CG2-CB 4.34Å; V10-I85 HydrophobicContact CG1-CD1 4.11Å; V10-I85 HydrophobicContact CG1-CG1 4.11Å; V10-V168 HydrophobicContact CG2-CG1 3.8Å
11	V	98.3	Very high	89.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.2	175.4	66.7	0	0	0	0	110.6	L13 W62 T64 A81 A83 A84 I85	V11-L13 HydrophobicContact CG1-CD1 4.32Å; V11-L13 HydrophobicContact CG1-CG 4.33Å; V11-L13 HydrophobicContact CG2-CD2 4.12Å; V11-L13 HydrophobicContact CG2-CG 4.25Å; V11-W62 HydrophobicContact CG2-CB 4.34Å; V11-T64 HydrophobicContact CG2-CG2 3.64Å; V11-A81 HydrophobicContact CB-CB 4.3Å; V11-A81 HydrophobicContact CG1-CB 3.86Å; V11-A83 PolarHBondContact N-O 3.21Å; V11-A84 HydrophobicContact CG1-CB 3.69Å; V11-A84 CarbonylContact O-C 3.37Å; V11-A84 VanDerWaalsContact O-CA 3.31Å; V11-A84 WeakPolarHBondContact O-CA 3.43Å; V11-I85 PolarHBondContact O-N 3.11Å
12	M	98.4	Very high	92.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.1	173.3	-48.9	-62	-65.4	0	0	108.6	K20 L23 V24 I61 W62 T64 I85 F165	M12-K20 HydrophobicContact CB-CB 4.27Å; M12-K20 HydrophobicContact CB-CD 4.2Å; M12-K20 HydrophobicContact CB-CG 4.49Å; M12-L23 HydrophobicContact CE-CD2 3.81Å; M12-L23 HydrophobicContact CE-CG 4.43Å; M12-V24 HydrophobicContact CE-CG2 4.19Å; M12-V24 HydrophobicContact CG-CG2 3.8Å; M12-V24 HydrophobicContact SD-CG2 4.15Å; M12-I61 HydrophobicContact CG-CG2 3.87Å; M12-I61 HydrophobicContact SD-CG2 4Å; M12-W62 PolarHBondContact N-O 3.23Å; M12-T64 WeakPolarHBondContact O-CB 3.42Å; M12-T64 WeakPolarHBondContact O-CG2 3.37Å; M12-T64 PolarHBondContact O-OG1 3.27Å; M12-I85 WeakPolarHBondContact CA-O 3.41Å; M12-I85 HydrophobicContact CE-CB 3.85Å; M12-I85 HydrophobicContact CE-CD1 4.16Å; M12-I85 HydrophobicContact CE-CG2 3.77Å; M12-I85 HydrophobicContact SD-CB 3.81Å; M12-I85 HydrophobicContact SD-CD1 3.83Å; M12-I85 HydrophobicContact SD-CG1 4.24Å; M12-I85 HydrophobicContact SD-CG2 4.4Å; M12-F165 HydrophobicContact CE-CZ 4.3Å; M12-F165 HydrophobicContact SD-CE1 4.39Å; M12-F165 HydrophobicContact SD-CZ 4.29Å
13	L	97.8	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.9	178.2	-63	173.2	0	0	0	110.5	V11 K20 T64 Y78 I85 V86 C87 W102 L106	V11-L13 HydrophobicContact CG1-CD1 4.32Å; V11-L13 HydrophobicContact CG1-CG 4.33Å; V11-L13 HydrophobicContact CG2-CD2 4.12Å; V11-L13 HydrophobicContact CG2-CG 4.25Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.5Å; L13-T64 HydrophobicContact CD2-CG2 4.3Å; L13-Y78 HydrophobicContact CD1-CD1 4.31Å; L13-Y78 HydrophobicContact CD2-CD1 4.3Å; L13-I85 PolarHBondContact N-O 3.48Å; L13-V86 HydrophobicContact CB-CG1 4.49Å; L13-V86 HydrophobicContact CB-CG2 4.33Å; L13-V86 CarbonylContact O-C 3.51Å; L13-V86 WeakPolarHBondContact O-CA 3.34Å; L13-C87 PolarHBondContact O-N 3.49Å; L13-W102 HydrophobicContact CB-CB 4.15Å; L13-W102 HydrophobicContact CB-CD2 4.4Å; L13-W102 HydrophobicContact CB-CG 4.15Å; L13-W102 HydrophobicContact CD1-CB 4.45Å; L13-W102 HydrophobicContact CD1-CE3 4.49Å; L13-W102 HydrophobicContact CD2-CD2 4.43Å; L13-W102 HydrophobicContact CD2-CE3 4.1Å; L13-W102 HydrophobicContact CD2-CZ3 4.36Å; L13-L106 HydrophobicContact CD1-CB 4.4Å
14	G	97.6	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.			trans	135.8	163.5	-176.7	0	0	0	0	0	112.5	K20 G66 C87	G14-K20 PolarHBondContact O-NZ 3.06Å; G14-G66 WeakPolarHBondContact O-CA 3.33Å; G14-C87 WeakPolarHBondContact CA-O 3.32Å
15	K	96.4	Very high	96.6	Very high	52 Å²	52	33.5 Å²	33.5	23%	0.226	16%	0.158	C	C	.	.			trans	-56.1	159.7	179.6	-171.8	-177.3	168.8	-164.8	0	111.9	V18 K20 G66 D92 S94 R98	K15-V18 HydrophobicContact CB-CG1 3.79Å; K15-V18 WeakPolarHBondContact O-CG2 3.4Å; K15-K20 PolarHBondContact O-NZ 3.21Å; K15-G66 CarbonylContact C-O 3.6Å; K15-D92 IonicContact NZ-OD2 3.05Å; K15-D92 PolarHBondContact NZ-OD2 3.49Å; K15-S94 PolarHBondContact NZ-OG 3.25Å; K15-R98 HydrophobicContact CB-CB 4.02Å; K15-R98 HydrophobicContact CB-CG 3.99Å; K15-R98 HydrophobicContact CG-CG 4.45Å
16	E	94.8	Very high	97.1	Very high	55 Å²	55	27.6 Å²	27.6	26%	0.257	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	153.6	166	49.7	177.3	-147.9	0	0	111.2	V18 G66 S67	E16-V18 PolarHBondContact O-N 3.38Å; E16-G66 VanDerWaalsContact N-C 3.3Å; E16-G66 PolarHBondContact N-O 2.74Å; E16-S67 WeakPolarHBondContact OE2-CA 3.47Å; E16-S67 WeakPolarHBondContact OE2-CB 3.21Å; E16-S67 PolarHBondContact OE2-OG 3.35Å
17	Y	95.3	Very high	97.4	Very high	117 Å²	117	27.1 Å²	27.1	46%	0.459	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-0	179.4	-53.9	-83.2	0	0	0	117.9	G19 Y37 K121	Y17-G19 PolarHBondContact O-N 3.36Å; Y17-Y37 AromaticContact CD1-CD1 3.42Å; Y17-Y37 HydrophobicContact CD1-CD1 3.42Å; Y17-Y37 VanDerWaalsContact CD1-CD1 3.42Å; Y17-Y37 HydrophobicContact CD1-CD2 4.38Å; Y17-Y37 AromaticContact CD1-CE1 3.71Å; Y17-Y37 HydrophobicContact CD1-CE1 3.71Å; Y17-Y37 AromaticContact CD1-CG 3.73Å; Y17-Y37 HydrophobicContact CD1-CG 3.73Å; Y17-Y37 AromaticContact CE1-CD1 2.97Å; Y17-Y37 HydrophobicContact CE1-CD1 2.97Å; Y17-Y37 AromaticContact CE1-CE1 3.5Å; Y17-Y37 HydrophobicContact CE1-CE1 3.5Å; Y17-Y37 VanDerWaalsContact CE1-CE1 3.5Å; Y17-Y37 AromaticContact CE1-CG 3.62Å; Y17-Y37 HydrophobicContact CE1-CG 3.62Å; Y17-Y37 HydrophobicContact CE2-CE1 4.38Å; Y17-Y37 HydrophobicContact CG-CD1 4.4Å; Y17-Y37 HydrophobicContact CG-CE1 4.28Å; Y17-Y37 AromaticContact CZ-CD1 3.62Å; Y17-Y37 AromaticContact CZ-CE1 3.81Å; Y17-K121 WeakPolarHBondContact O-CE 3.28Å; Y17-K121 PolarHBondContact O-NZ 2.98Å
18	V	97.5	Very high	97.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.115	C	C	.	.	S	Bend	trans	-70.4	-17.2	175.8	-55.3	0	0	0	0	113.3	K15 E16 K20 C87 D89 T120	K15-V18 HydrophobicContact CB-CG1 3.79Å; K15-V18 WeakPolarHBondContact O-CG2 3.4Å; E16-V18 PolarHBondContact O-N 3.38Å; V18-K20 HydrophobicContact CG2-CG 3.79Å; V18-C87 HydrophobicContact CG2-CB 3.72Å; V18-D89 HydrophobicContact CB-CB 4.33Å; V18-D89 HydrophobicContact CG1-CB 4.25Å; V18-T120 VanDerWaalsContact O-CB 3.29Å; V18-T120 WeakPolarHBondContact O-CB 3.37Å; V18-T120 PolarHBondContact O-OG1 2.88Å
19	G	97.5	Very high	97.5	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	14%	0.137	C	C	.	.	S	Bend	trans	102.3	21	175.8	0	0	0	0	0	115.9	Y17 T21 S22 L23	Y17-G19 PolarHBondContact O-N 3.36Å; G19-T21 PolarHBondContact O-N 3.2Å; G19-S22 PolarHBondContact O-N 3.49Å; G19-L23 WeakPolarHBondContact O-CB 3.34Å; G19-L23 PolarHBondContact O-N 3.23Å
20	K	97.7	Very high	97.5	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-51.4	-54.7	173.6	-59.5	-175.2	-60.6	-72.2	0	112.4	M12 L13 G14 K15 V18 S22 L23 V24 D63 T64 G66 C87	M12-K20 HydrophobicContact CB-CB 4.27Å; M12-K20 HydrophobicContact CB-CD 4.2Å; M12-K20 HydrophobicContact CB-CG 4.49Å; L13-K20 VanDerWaalsContact C-CD 3.46Å; L13-K20 WeakPolarHBondContact O-CD 3.5Å; G14-K20 PolarHBondContact O-NZ 3.06Å; K15-K20 PolarHBondContact O-NZ 3.21Å; V18-K20 HydrophobicContact CG2-CG 3.79Å; K20-S22 VanDerWaalsContact C-N 3.34Å; K20-S22 PolarHBondContact O-N 3.03Å; K20-L23 WeakPolarHBondContact O-CB 3.4Å; K20-L23 PolarHBondContact O-N 3.45Å; K20-L23 VanDerWaalsContact O-N 3.12Å; K20-V24 WeakPolarHBondContact O-CG2 2.93Å; K20-V24 PolarHBondContact O-N 3.05Å; K20-D63 VanDerWaalsContact CB-OD1 3.3Å; K20-D63 WeakPolarHBondContact CB-OD1 3.45Å; K20-T64 WeakPolarHBondContact CE-O 3.4Å; K20-G66 VanDerWaalsContact NZ-CA 3.27Å; K20-C87 HydrophobicContact CG-CB 3.96Å
21	T	97.1	Very high	97.4	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.233	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-42.6	178.1	-46.1	0	0	0	0	111.7	G19 L23 V24 E25 T40 D63	G19-T21 PolarHBondContact O-N 3.2Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.15Å; T21-V24 PolarHBondContact O-N 3.3Å; T21-E25 HydrophobicContact CG2-CG 4.37Å; T21-E25 WeakPolarHBondContact O-CB 3.45Å; T21-E25 VanDerWaalsContact O-CG 3.25Å; T21-E25 WeakPolarHBondContact O-CG 3.45Å; T21-E25 PolarHBondContact O-N 3.48Å; T21-T40 PolarHBondContact OG1-OG1 3.47Å; T21-D63 VanDerWaalsContact CA-OD2 3.32Å; T21-D63 WeakPolarHBondContact CA-OD2 3.48Å; T21-D63 VanDerWaalsContact CB-OD2 3.26Å; T21-D63 WeakPolarHBondContact CB-OD2 3.46Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.37Å; T21-D63 PolarHBondContact OG1-OD2 3.18Å
22	S	97.8	Very high	97.3	Very high	34 Å²	34	40.5 Å²	40.5	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-36.8	176.3	-54.7	0	0	0	0	112.5	G19 K20 R26 S155	G19-S22 PolarHBondContact O-N 3.49Å; K20-S22 VanDerWaalsContact C-N 3.34Å; K20-S22 PolarHBondContact O-N 3.03Å; S22-R26 WeakPolarHBondContact O-CB 3.28Å; S22-R26 PolarHBondContact O-N 2.66Å; S22-S155 WeakPolarHBondContact O-CB 3.33Å
23	L	98.6	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-42.8	177.4	-171.6	62.7	0	0	0	111.2	M12 G19 K20 T21 Y27 I85 S155 V161 L164 F165	M12-L23 HydrophobicContact CE-CD2 3.81Å; M12-L23 HydrophobicContact CE-CG 4.43Å; G19-L23 WeakPolarHBondContact O-CB 3.34Å; G19-L23 PolarHBondContact O-N 3.23Å; K20-L23 WeakPolarHBondContact O-CB 3.4Å; K20-L23 PolarHBondContact O-N 3.45Å; K20-L23 VanDerWaalsContact O-N 3.12Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.15Å; L23-Y27 WeakPolarHBondContact O-CB 3.25Å; L23-Y27 PolarHBondContact O-N 3.47Å; L23-I85 HydrophobicContact CD2-CG2 4.44Å; L23-S155 VanDerWaalsContact CA-OG 3.3Å; L23-S155 WeakPolarHBondContact CA-OG 3.32Å; L23-S155 PolarHBondContact N-OG 3.09Å; L23-V161 HydrophobicContact CD1-CB 4.23Å; L23-V161 HydrophobicContact CD1-CG1 3.82Å; L23-V161 HydrophobicContact CD1-CG2 3.62Å; L23-L164 HydrophobicContact CD2-CD2 4.05Å; L23-F165 HydrophobicContact CG-CE2 4.11Å; L23-F165 HydrophobicContact CG-CZ 4.49Å
24	V	98.3	Very high	96.6	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-45	174.2	176.3	0	0	0	0	111.5	M12 K20 T21 Y27 V28 V46 I61 D63	M12-V24 HydrophobicContact CE-CG2 4.19Å; M12-V24 HydrophobicContact CG-CG2 3.8Å; M12-V24 HydrophobicContact SD-CG2 4.15Å; K20-V24 WeakPolarHBondContact O-CG2 2.93Å; K20-V24 PolarHBondContact O-N 3.05Å; T21-V24 PolarHBondContact O-N 3.3Å; V24-Y27 PolarHBondContact O-N 2.78Å; V24-V28 HydrophobicContact CG1-CG2 4.19Å; V24-V28 WeakPolarHBondContact O-CB 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.31Å; V24-V28 PolarHBondContact O-N 2.87Å; V24-V46 HydrophobicContact CG1-CG1 3.59Å; V24-I61 HydrophobicContact CG1-CG2 4.44Å; V24-I61 HydrophobicContact CG2-CG2 3.86Å; V24-D63 HydrophobicContact CG2-CB 4.25Å
25	E	97.6	Very high	96	Very high	37 Å²	37	54.6 Å²	54.6	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-44.1	177.2	-76.2	-71	164.5	0	0	112.1	T21 H29 D30 R31 L33	T21-E25 HydrophobicContact CG2-CG 4.37Å; T21-E25 WeakPolarHBondContact O-CB 3.45Å; T21-E25 VanDerWaalsContact O-CG 3.25Å; T21-E25 WeakPolarHBondContact O-CG 3.45Å; T21-E25 PolarHBondContact O-N 3.48Å; E25-H29 CarbonylContact O-C 3.6Å; E25-H29 WeakPolarHBondContact O-CA 3.07Å; E25-H29 WeakPolarHBondContact O-CB 3.48Å; E25-H29 PolarHBondContact O-N 3.38Å; E25-H29 IonicContact OE2-CD2 2.9Å; E25-H29 PolarHBondContact OE2-CD2 3.26Å; E25-H29 VanDerWaalsContact OE2-CD2 3.27Å; E25-H29 IonicContact OE2-CG 3.71Å; E25-D30 PolarHBondContact O-N 2.74Å; E25-R31 CarbonylContact C-O 3.52Å; E25-R31 IonicContact OE1-NH2 3.14Å; E25-R31 PolarHBondContact OE1-NH2 3.01Å; E25-R31 IonicContact OE2-CZ 3.13Å; E25-R31 IonicContact OE2-NE 2.95Å; E25-R31 PolarHBondContact OE2-NE 3.48Å; E25-R31 IonicContact OE2-NH2 3.25Å; E25-R31 PolarHBondContact OE2-NH2 2.97Å; E25-L33 HydrophobicContact CG-CD1 4.32Å
26	R	98.3	Very high	95.4	Very high	41 Å²	41	58 Å²	58	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-49.5	174.6	173.2	55.8	68.3	-172.8	6.1	110.5	S22 D30 R31 S155 K156 V161	S22-R26 WeakPolarHBondContact O-CB 3.28Å; S22-R26 PolarHBondContact O-N 2.66Å; R26-D30 IonicContact CZ-OD1 2.63Å; R26-D30 VanDerWaalsContact NH1-C 3.28Å; R26-D30 PolarHBondContact NH1-O 2.91Å; R26-D30 VanDerWaalsContact NH1-O 3.13Å; R26-D30 IonicContact NH1-OD1 3.44Å; R26-D30 PolarHBondContact NH1-OD1 3.39Å; R26-D30 WeakPolarHBondContact O-CA 3.03Å; R26-D30 PolarHBondContact O-N 3.1Å; R26-R31 VanDerWaalsContact CA-O 3.32Å; R26-R31 WeakPolarHBondContact CA-O 3.28Å; R26-R31 PolarHBondContact N-O 3.24Å; R26-S155 PolarHBondContact NE-O 2.95Å; R26-S155 PolarHBondContact NH2-O 2.9Å; R26-K156 PolarHBondContact NH2-O 3.24Å; R26-V161 HydrophobicContact CB-CG1 4.47Å; R26-V161 HydrophobicContact CG-CB 4.24Å; R26-V161 HydrophobicContact CG-CG1 4.01Å; R26-V161 HydrophobicContact CG-CG2 4.02Å
27	Y	98.5	Very high	94.7	Very high	9 Å²	9	59 Å²	59	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-46.8	-177	178.7	-118.6	0	0	0	112.4	L23 V24 K48 M50 L59 I61 V161 D162 F165	L23-Y27 WeakPolarHBondContact O-CB 3.25Å; L23-Y27 PolarHBondContact O-N 3.47Å; V24-Y27 PolarHBondContact O-N 2.78Å; Y27-K48 HydrophobicContact CD1-CD 4.07Å; Y27-K48 HydrophobicContact CE1-CB 4.23Å; Y27-K48 HydrophobicContact CE1-CD 3.59Å; Y27-K48 HydrophobicContact CE1-CG 4.05Å; Y27-K48 PolarHBondContact O-NZ 3.12Å; Y27-M50 PolarHBondContact OH-SD 3.42Å; Y27-M50 VanDerWaalsContact OH-SD 3.33Å; Y27-L59 HydrophobicContact CE1-CD1 3.95Å; Y27-I61 HydrophobicContact CD1-CD1 3.99Å; Y27-I61 HydrophobicContact CE1-CD1 4.1Å; Y27-V161 HydrophobicContact CD2-CG1 4.38Å; Y27-V161 HydrophobicContact CG-CG1 4.5Å; Y27-D162 VanDerWaalsContact CD2-OD1 3.32Å; Y27-D162 WeakPolarHBondContact CD2-OD1 3.49Å; Y27-F165 HydrophobicContact CD1-CB 4.08Å; Y27-F165 AromaticContact CD1-CD1 3.79Å; Y27-F165 HydrophobicContact CD1-CD1 3.79Å; Y27-F165 AromaticContact CD1-CD2 3.61Å; Y27-F165 HydrophobicContact CD1-CD2 3.61Å; Y27-F165 HydrophobicContact CD1-CE1 4.06Å; Y27-F165 AromaticContact CD1-CE2 3.91Å; Y27-F165 HydrophobicContact CD1-CE2 3.91Å; Y27-F165 AromaticContact CD1-CG 3.55Å; Y27-F165 HydrophobicContact CD1-CG 3.55Å; Y27-F165 HydrophobicContact CD1-CZ 4.13Å; Y27-F165 HydrophobicContact CD2-CB 3.87Å; Y27-F165 AromaticContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CE2 4.3Å; Y27-F165 AromaticContact CD2-CG 3.87Å; Y27-F165 HydrophobicContact CD2-CG 3.87Å; Y27-F165 HydrophobicContact CE1-CB 3.68Å; Y27-F165 AromaticContact CE1-CD1 3.81Å; Y27-F165 HydrophobicContact CE1-CD1 3.81Å; Y27-F165 HydrophobicContact CE1-CD2 4.12Å; Y27-F165 HydrophobicContact CE1-CE1 4.47Å; Y27-F165 AromaticContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE2-CB 3.44Å; Y27-F165 VanDerWaalsContact CE2-CB 3.44Å; Y27-F165 HydrophobicContact CE2-CD2 4.06Å; Y27-F165 AromaticContact CE2-CG 3.93Å; Y27-F165 HydrophobicContact CE2-CG 3.93Å; Y27-F165 HydrophobicContact CG-CB 4.17Å; Y27-F165 HydrophobicContact CG-CD1 4.33Å; Y27-F165 AromaticContact CG-CD2 3.28Å; Y27-F165 HydrophobicContact CG-CD2 3.28Å; Y27-F165 AromaticContact CG-CE2 3.64Å; Y27-F165 HydrophobicContact CG-CE2 3.64Å; Y27-F165 AromaticContact CG-CG 3.68Å; Y27-F165 HydrophobicContact CG-CG 3.68Å; Y27-F165 HydrophobicContact CG-CZ 4.3Å; Y27-F165 AromaticContact CZ-CG 3.8Å
28	V	97.8	Very high	94.3	Very high	28 Å²	28	61.4 Å²	61.4	17%	0.17	33%	0.33	C	S	.	.	H	α-helix	trans	-83.4	-40.1	-171.8	-178.5	0	0	0	0	112.4	V24 V46 K48 I61	V24-V28 HydrophobicContact CG1-CG2 4.19Å; V24-V28 WeakPolarHBondContact O-CB 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.31Å; V24-V28 PolarHBondContact O-N 2.87Å; V28-V46 HydrophobicContact CB-CG2 4.47Å; V28-V46 HydrophobicContact CG1-CG2 3.76Å; V28-V46 HydrophobicContact CG2-CG1 3.9Å; V28-V46 HydrophobicContact CG2-CG2 4.23Å; V28-K48 HydrophobicContact CB-CD 4.48Å; V28-K48 HydrophobicContact CG1-CD 4.46Å; V28-K48 HydrophobicContact CG2-CB 4.46Å; V28-K48 HydrophobicContact CG2-CD 4.24Å; V28-I61 HydrophobicContact CG2-CD1 4.35Å
29	H	96.5	Very high	93.9	Very high	102 Å²	102	64.3 Å²	64.3	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-113.9	3	-170.1	-59.8	-58.2	0	0	0	113.8	E25 R31	E25-H29 CarbonylContact O-C 3.6Å; E25-H29 WeakPolarHBondContact O-CA 3.07Å; E25-H29 WeakPolarHBondContact O-CB 3.48Å; E25-H29 PolarHBondContact O-N 3.38Å; E25-H29 IonicContact OE2-CD2 2.9Å; E25-H29 PolarHBondContact OE2-CD2 3.26Å; E25-H29 VanDerWaalsContact OE2-CD2 3.27Å; E25-H29 IonicContact OE2-CG 3.71Å; H29-R31 HydrophobicContact CB-CG 3.92Å; H29-R31 PolarHBondContact O-N 2.69Å
30	D	97.4	Very high	93.4	Very high	121 Å²	121	64.8 Å²	64.8	65%	0.647	35%	0.346	S	S	*	.	S	Bend	trans	47.7	44.7	-176.5	-167.6	25.2	0	0	0	113.4	E25 R26	E25-D30 PolarHBondContact O-N 2.74Å; R26-D30 IonicContact CZ-OD1 2.63Å; R26-D30 VanDerWaalsContact NH1-C 3.28Å; R26-D30 PolarHBondContact NH1-O 2.91Å; R26-D30 VanDerWaalsContact NH1-O 3.13Å; R26-D30 IonicContact NH1-OD1 3.44Å; R26-D30 PolarHBondContact NH1-OD1 3.39Å; R26-D30 WeakPolarHBondContact O-CA 3.03Å; R26-D30 PolarHBondContact O-N 3.1Å
31	R	96.7	Very high	92.8	Very high	110 Å²	110	70.4 Å²	70.4	42%	0.415	38%	0.375	S	S	.	.			trans	-138.7	152.2	179.6	70.6	-173.1	-177.8	174.2	-0.4	112.5	E25 R26 H29 L33	E25-R31 CarbonylContact C-O 3.52Å; E25-R31 IonicContact OE1-NH2 3.14Å; E25-R31 PolarHBondContact OE1-NH2 3.01Å; E25-R31 IonicContact OE2-CZ 3.13Å; E25-R31 IonicContact OE2-NE 2.95Å; E25-R31 PolarHBondContact OE2-NE 3.48Å; E25-R31 IonicContact OE2-NH2 3.25Å; E25-R31 PolarHBondContact OE2-NH2 2.97Å; R26-R31 VanDerWaalsContact CA-O 3.32Å; R26-R31 WeakPolarHBondContact CA-O 3.28Å; R26-R31 PolarHBondContact N-O 3.24Å; H29-R31 HydrophobicContact CB-CG 3.92Å; H29-R31 PolarHBondContact O-N 2.69Å; R31-L33 HydrophobicContact CG-CD2 4.26Å
32	F	96.9	Very high	92.4	Very high	78 Å²	78	68.9 Å²	68.9	34%	0.342	37%	0.367	S	S	.	.			trans	-118.3	111.9	168.5	-177.7	-100.8	0	0	0	108.6	V34 S155 K156	F32-V34 HydrophobicContact CD1-CG2 3.99Å; F32-V34 HydrophobicContact CE1-CG2 4.22Å; F32-V34 PolarHBondContact O-N 3.5Å; F32-S155 WeakPolarHBondContact CD2-O 3.26Å; F32-K156 HydrophobicContact CD1-CB 4.43Å; F32-K156 HydrophobicContact CD1-CG 4.27Å; F32-K156 HydrophobicContact CD2-CB 4.3Å; F32-K156 HydrophobicContact CE1-CB 4.38Å; F32-K156 HydrophobicContact CE1-CG 4.26Å; F32-K156 HydrophobicContact CE2-CB 4.24Å; F32-K156 HydrophobicContact CG-CB 4.38Å; F32-K156 HydrophobicContact CZ-CB 4.28Å
33	L	92.7	Very high	92.1	Very high	101 Å²	101	68.3 Å²	68.3	53%	0.529	36%	0.364	S	S	.	.			trans	-77.3	116.6	-177.5	-61.6	178.6	0	0	0	110.1	E25 R31	E25-L33 HydrophobicContact CG-CD1 4.32Å; R31-L33 HydrophobicContact CG-CD2 4.26Å
34	V	87.9	Confident	91.9	Very high	136 Å²	136	70.8 Å²	70.8	82%	0.824	39%	0.385	S	S	*	.			trans	-94.1	119.1	174.1	-176	0	0	0	0	108.3	F32	F32-V34 HydrophobicContact CD1-CG2 3.99Å; F32-V34 HydrophobicContact CE1-CG2 4.22Å; F32-V34 PolarHBondContact O-N 3.5Å
35	G	85.2	Confident	91.8	Very high	58 Å²	58	75.5 Å²	75.5	60%	0.598	41%	0.405	S	S	*	.	S	Bend	trans	165.5	179.7	-178.5	0	0	0	0	0	112.5	Y37	G35-Y37 PolarHBondContact O-N 2.95Å
36	P	82.9	Confident	91.9	Very high	124 Å²	124	75.3 Å²	75.3	81%	0.805	41%	0.406	S	S	*	.			trans	-61.4	128.2	174.9	26.3	-32.7	0	0	0	109.7
37	Y	81.5	Confident	91.8	Very high	77 Å²	77	75.9 Å²	75.9	30%	0.302	42%	0.419	S	S	.	.			trans	-65.7	135.7	176.3	174.8	-92.7	0	0	0	110.7	Y17 G35 N39	Y17-Y37 AromaticContact CD1-CD1 3.42Å; Y17-Y37 HydrophobicContact CD1-CD1 3.42Å; Y17-Y37 VanDerWaalsContact CD1-CD1 3.42Å; Y17-Y37 HydrophobicContact CD1-CD2 4.38Å; Y17-Y37 AromaticContact CD1-CE1 3.71Å; Y17-Y37 HydrophobicContact CD1-CE1 3.71Å; Y17-Y37 AromaticContact CD1-CG 3.73Å; Y17-Y37 HydrophobicContact CD1-CG 3.73Å; Y17-Y37 AromaticContact CE1-CD1 2.97Å; Y17-Y37 HydrophobicContact CE1-CD1 2.97Å; Y17-Y37 AromaticContact CE1-CE1 3.5Å; Y17-Y37 HydrophobicContact CE1-CE1 3.5Å; Y17-Y37 VanDerWaalsContact CE1-CE1 3.5Å; Y17-Y37 AromaticContact CE1-CG 3.62Å; Y17-Y37 HydrophobicContact CE1-CG 3.62Å; Y17-Y37 HydrophobicContact CE2-CE1 4.38Å; Y17-Y37 HydrophobicContact CG-CD1 4.4Å; Y17-Y37 HydrophobicContact CG-CE1 4.28Å; Y17-Y37 AromaticContact CZ-CD1 3.62Å; Y17-Y37 AromaticContact CZ-CE1 3.81Å; G35-Y37 PolarHBondContact O-N 2.95Å; Y37-N39 HydrophobicContact CE1-CB 4.35Å; Y37-N39 VanDerWaalsContact CE1-OD1 3.3Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.31Å
38	Q	86.5	Confident	91.8	Very high	166 Å²	166	78.2 Å²	78.2	78%	0.776	43%	0.43	S	S	*	.			trans	-112.1	127.5	171	-64.2	-170.2	-35.3	0	0	109.1	T40	Q38-T40 PolarHBondContact O-N 2.84Å
39	N	87.8	Confident	91.7	Very high	63 Å²	63	80.9 Å²	80.9	34%	0.337	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61	125.6	175.4	-86.8	-50.1	0	0	0	110.2	Y37 I41	Y37-N39 HydrophobicContact CE1-CB 4.35Å; Y37-N39 VanDerWaalsContact CE1-OD1 3.3Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.31Å; N39-I41 PolarHBondContact O-N 2.98Å
40	T	86.8	Confident	91.6	Very high	21 Å²	21	77.1 Å²	77.1	13%	0.129	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-60.4	130.2	166	-49.4	0	0	0	0	108.8	T21 Q38 A65	T21-T40 PolarHBondContact OG1-OG1 3.47Å; Q38-T40 PolarHBondContact O-N 2.84Å; T40-A65 WeakPolarHBondContact O-CB 3.47Å
41	I	86	Confident	91.5	Very high	122 Å²	122	75.4 Å²	75.4	63%	0.626	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-103.9	125.6	174.5	-59.6	177.6	0	0	0	107.5	N39 A43 Y70	N39-I41 PolarHBondContact O-N 2.98Å; I41-A43 PolarHBondContact O-N 3.4Å; I41-Y70 HydrophobicContact CG1-CE2 4.29Å; I41-Y70 HydrophobicContact CG2-CE1 4.27Å
42	G	88.2	Confident	91.3	Very high	6 Å²	6	71 Å²	71	6%	0.062	41%	0.411	C	S	.	.	S	Bend	trans	70	-117.3	-174.7	0	0	0	0	0	111.3	A65	G42-A65 WeakPolarHBondContact O-CB 3.45Å; G42-A65 PolarHBondContact O-N 3.08Å
43	A	92.7	Very high	91.1	Very high	21 Å²	21	71.1 Å²	71.1	17%	0.174	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.5	170.6	0	0	0	0	0	111.8	I41 W62 D63 T64 Y77	I41-A43 PolarHBondContact O-N 3.4Å; A43-W62 HydrophobicContact CB-CE3 4.07Å; A43-D63 CarbonylContact C-O 3.58Å; A43-D63 WeakPolarHBondContact CA-O 3.39Å; A43-D63 VanDerWaalsContact CB-O 3.31Å; A43-D63 WeakPolarHBondContact CB-O 3.25Å; A43-T64 HydrophobicContact CB-CG2 4.16Å; A43-Y77 HydrophobicContact CB-CD1 3.64Å; A43-Y77 HydrophobicContact CB-CD2 3.65Å; A43-Y77 HydrophobicContact CB-CE1 3.57Å; A43-Y77 HydrophobicContact CB-CE2 3.58Å; A43-Y77 HydrophobicContact CB-CG 3.68Å; A43-Y77 PolarHBondContact N-OH 3.21Å
44	A	94.7	Very high	90.9	Very high	53 Å²	53	72.6 Å²	72.6	44%	0.438	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.4	167.4	0	0	0	0	0	109.7	W62 D63	A44-W62 CarbonylContact O-C 3.59Å; A44-W62 WeakPolarHBondContact O-CA 3.44Å; A44-D63 HydrophobicContact CB-CB 4.42Å; A44-D63 PolarHBondContact N-O 2.73Å; A44-D63 PolarHBondContact O-N 2.93Å
45	F	96.3	Very high	91.1	Very high	111 Å²	111	67.8 Å²	67.8	49%	0.487	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.2	176.7	174.6	-104.2	0	0	0	110.6	A47 I61 W62	F45-A47 HydrophobicContact CE1-CB 4.21Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; F45-I61 WeakPolarHBondContact CA-O 3.47Å; F45-W62 HydrophobicContact CB-CD2 4.29Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CH2 4.12Å; F45-W62 HydrophobicContact CB-CZ2 4.34Å; F45-W62 HydrophobicContact CB-CZ3 3.97Å; F45-W62 AromaticContact CD2-CD1 3.93Å; F45-W62 AromaticContact CD2-CD2 3.84Å; F45-W62 HydrophobicContact CD2-CD2 3.84Å; F45-W62 AromaticContact CD2-CE2 3.44Å; F45-W62 VanDerWaalsContact CD2-CE2 3.44Å; F45-W62 HydrophobicContact CD2-CE3 4.44Å; F45-W62 HydrophobicContact CD2-CG 4.16Å; F45-W62 HydrophobicContact CD2-CH2 4.38Å; F45-W62 AromaticContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ2 3.76Å; F45-W62 AromaticContact CD2-NE1 3.5Å; F45-W62 HydrophobicContact CE2-CZ2 4.34Å; F45-W62 AromaticContact CE2-NE1 3.71Å; F45-W62 HydrophobicContact CG-CD2 4.49Å; F45-W62 HydrophobicContact CG-CH2 4.38Å; F45-W62 HydrophobicContact CG-CZ2 4.15Å
46	V	97.7	Very high	91.6	Very high	33 Å²	33	67.2 Å²	67.2	20%	0.2	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.8	170.5	68.1	0	0	0	0	110.4	V24 V28 I61	V24-V46 HydrophobicContact CG1-CG1 3.59Å; V28-V46 HydrophobicContact CB-CG2 4.47Å; V28-V46 HydrophobicContact CG1-CG2 3.76Å; V28-V46 HydrophobicContact CG2-CG1 3.9Å; V28-V46 HydrophobicContact CG2-CG2 4.23Å; V46-I61 HydrophobicContact CG1-CB 3.95Å; V46-I61 HydrophobicContact CG1-CD1 4.49Å; V46-I61 PolarHBondContact N-O 3.37Å; V46-I61 PolarHBondContact O-N 3.08Å
47	A	97.6	Very high	92.2	Very high	53 Å²	53	61.3 Å²	61.3	44%	0.438	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130	176.2	0	0	0	0	0	109.9	F45 T58 L59	F45-A47 HydrophobicContact CE1-CB 4.21Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; A47-T58 HydrophobicContact CB-CG2 4.07Å; A47-L59 CarbonylContact C-O 3.57Å; A47-L59 VanDerWaalsContact CA-O 3.31Å; A47-L59 WeakPolarHBondContact CA-O 3.46Å
48	K	97.3	Very high	93	Very high	58 Å²	58	58.2 Å²	58.2	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.6	172.5	-179.4	147	170.2	173.3	0	109.8	Y27 V28 L59	Y27-K48 HydrophobicContact CD1-CD 4.07Å; Y27-K48 HydrophobicContact CE1-CB 4.23Å; Y27-K48 HydrophobicContact CE1-CD 3.59Å; Y27-K48 HydrophobicContact CE1-CG 4.05Å; Y27-K48 PolarHBondContact O-NZ 3.12Å; V28-K48 HydrophobicContact CB-CD 4.48Å; V28-K48 HydrophobicContact CG1-CD 4.46Å; V28-K48 HydrophobicContact CG2-CB 4.46Å; V28-K48 HydrophobicContact CG2-CD 4.24Å; K48-L59 PolarHBondContact N-O 2.95Å; K48-L59 PolarHBondContact O-N 3.17Å
49	V	96.5	Very high	93.5	Very high	84 Å²	84	50.3 Å²	50.3	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.9	177.2	-178.7	0	0	0	0	108.9	T56 V57 T58	V49-T56 HydrophobicContact CG1-CG2 3.41Å; V49-T56 VanDerWaalsContact CG1-CG2 3.41Å; V49-V57 CarbonylContact C-O 3.59Å; V49-V57 WeakPolarHBondContact CA-O 3.46Å; V49-T58 HydrophobicContact CG2-CG2 4.12Å
50	M	95.2	Very high	94	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.113	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163	177	64.9	-168.2	-67.2	0	0	111.5	Y27 V57 L59 Q166 A169	Y27-M50 PolarHBondContact OH-SD 3.42Å; Y27-M50 VanDerWaalsContact OH-SD 3.33Å; M50-V57 HydrophobicContact CG-CB 4.21Å; M50-V57 PolarHBondContact N-O 3.01Å; M50-V57 PolarHBondContact O-N 3.39Å; M50-L59 HydrophobicContact SD-CD1 3.56Å; M50-L59 VanDerWaalsContact SD-CD1 3.56Å; M50-L59 HydrophobicContact SD-CD2 4.4Å; M50-L59 HydrophobicContact SD-CG 3.83Å; M50-Q166 HydrophobicContact CE-CB 4.32Å; M50-A169 HydrophobicContact CE-CB 3.86Å; M50-A169 HydrophobicContact CG-CB 4.33Å; M50-A169 HydrophobicContact SD-CB 3.6Å; M50-A169 VanDerWaalsContact SD-CB 3.6Å
51	S	93.8	Very high	94.6	Very high	86 Å²	86	46.8 Å²	46.8	60%	0.601	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.4	177.8	-58.5	0	0	0	0	110.5	R55	S51-R55 WeakPolarHBondContact CA-O 3.44Å
52	V	94.1	Very high	95.1	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.097	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	103.4	172	178.6	0	0	0	0	107.4	D54 R55 V57 A169 E170 V173	V52-D54 PolarHBondContact O-N 2.97Å; V52-R55 PolarHBondContact N-O 3.31Å; V52-R55 PolarHBondContact O-N 3.48Å; V52-R55 VanDerWaalsContact O-N 3.11Å; V52-V57 HydrophobicContact CB-CG2 4.13Å; V52-V57 HydrophobicContact CG2-CG2 3.87Å; V52-A169 HydrophobicContact CG2-CB 3.64Å; V52-E170 HydrophobicContact CG1-CG 3.86Å; V52-V173 HydrophobicContact CB-CG2 4.18Å; V52-V173 HydrophobicContact CG1-CB 4.22Å; V52-V173 HydrophobicContact CG1-CG1 4.35Å; V52-V173 HydrophobicContact CG1-CG2 4.2Å
53	G	90.9	Very high	95.5	Very high	81 Å²	81	44.3 Å²	44.3	84%	0.835	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-120.8	-170.8	0	0	0	0	0	111.6
54	D	89.6	Confident	95.7	Very high	133 Å²	133	43.3 Å²	43.3	71%	0.711	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-0	178.6	67.9	-23.5	0	0	0	113.9	G3 V52	G3-D54 WeakPolarHBondContact CA-O 3.46Å; V52-D54 PolarHBondContact O-N 2.97Å
55	R	91.8	Very high	95.5	Very high	34 Å²	34	40.9 Å²	40.9	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.9	-178.5	-58.1	-165.2	-175.8	-164.5	-5.4	112.1	Q4 S51 V52	Q4-R55 HydrophobicContact CB-CG 4.39Å; Q4-R55 WeakPolarHBondContact O-CA 3.45Å; S51-R55 WeakPolarHBondContact CA-O 3.44Å; V52-R55 PolarHBondContact N-O 3.31Å; V52-R55 PolarHBondContact O-N 3.48Å; V52-R55 VanDerWaalsContact O-N 3.11Å
56	T	94.8	Very high	95	Very high	47 Å²	47	35.7 Å²	35.7	29%	0.288	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.1	169.7	-59.3	0	0	0	0	108.6	Q4 R5 V6 V49	Q4-T56 PolarHBondContact O-N 2.93Å; R5-T56 VanDerWaalsContact CA-O 3.31Å; R5-T56 WeakPolarHBondContact CA-O 3.12Å; V6-T56 PolarHBondContact N-O 3.28Å; V49-T56 HydrophobicContact CG1-CG2 3.41Å; V49-T56 VanDerWaalsContact CG1-CG2 3.41Å
57	V	96.4	Very high	94.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.6	-179.8	-173.6	0	0	0	0	109.4	V6 V8 V49 M50 V52 L59 A169 V173	V6-V57 HydrophobicContact CG2-CB 4.33Å; V6-V57 HydrophobicContact CG2-CG1 4.28Å; V6-V57 HydrophobicContact CG2-CG2 3.83Å; V6-V57 CarbonylContact O-C 3.57Å; V6-V57 VanDerWaalsContact O-CA 3.31Å; V6-V57 WeakPolarHBondContact O-CA 3.35Å; V8-V57 HydrophobicContact CG1-CG1 3.95Å; V49-V57 CarbonylContact C-O 3.59Å; V49-V57 WeakPolarHBondContact CA-O 3.46Å; M50-V57 HydrophobicContact CG-CB 4.21Å; M50-V57 PolarHBondContact N-O 3.01Å; M50-V57 PolarHBondContact O-N 3.39Å; V52-V57 HydrophobicContact CB-CG2 4.13Å; V52-V57 HydrophobicContact CG2-CG2 3.87Å; V57-L59 HydrophobicContact CG1-CD2 4.02Å; V57-A169 HydrophobicContact CG1-CB 4.28Å; V57-V173 HydrophobicContact CG2-CG2 3.49Å; V57-V173 VanDerWaalsContact CG2-CG2 3.49Å
58	T	97.5	Very high	94	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111	164.8	-39.7	0	0	0	0	109	R5 V6 D7 V8 A47 V49 G60	R5-T58 PolarHBondContact NE-OG1 2.9Å; R5-T58 PolarHBondContact NH2-OG1 2.94Å; R5-T58 VanDerWaalsContact NH2-OG1 3.15Å; V6-T58 PolarHBondContact O-N 2.94Å; D7-T58 WeakPolarHBondContact CA-O 3.42Å; D7-T58 WeakPolarHBondContact OD1-CB 3.28Å; D7-T58 PolarHBondContact OD1-OG1 3.07Å; V8-T58 PolarHBondContact N-O 2.82Å; A47-T58 HydrophobicContact CB-CG2 4.07Å; V49-T58 HydrophobicContact CG2-CG2 4.12Å; T58-G60 PolarHBondContact O-N 3.37Å
59	L	98.1	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	107.6	167.1	-59.8	-172.6	0	0	0	109	V8 V10 Y27 A47 K48 M50 V57 I61 F165 V168 A169	V8-L59 HydrophobicContact CG1-CD2 3.14Å; V8-L59 HydrophobicContact CG1-CG 4.36Å; V10-L59 HydrophobicContact CG2-CD2 4.3Å; Y27-L59 HydrophobicContact CE1-CD1 3.95Å; A47-L59 CarbonylContact C-O 3.57Å; A47-L59 VanDerWaalsContact CA-O 3.31Å; A47-L59 WeakPolarHBondContact CA-O 3.46Å; K48-L59 PolarHBondContact N-O 2.95Å; K48-L59 PolarHBondContact O-N 3.17Å; M50-L59 HydrophobicContact SD-CD1 3.56Å; M50-L59 VanDerWaalsContact SD-CD1 3.56Å; M50-L59 HydrophobicContact SD-CD2 4.4Å; M50-L59 HydrophobicContact SD-CG 3.83Å; V57-L59 HydrophobicContact CG1-CD2 4.02Å; L59-I61 HydrophobicContact CB-CD1 4.3Å; L59-I61 HydrophobicContact CB-CG1 4.11Å; L59-F165 HydrophobicContact CD1-CB 4.18Å; L59-F165 HydrophobicContact CD1-CD1 4.12Å; L59-V168 HydrophobicContact CD2-CG1 4.43Å; L59-A169 HydrophobicContact CD2-CB 4.08Å
60	G	98.2	Very high	93.2	Very high	9 Å²	9	43.6 Å²	43.6	9%	0.093	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	97	169	0	0	0	0	0	110.3	V8 V10 T58	V8-G60 PolarHBondContact O-N 3.1Å; V10-G60 PolarHBondContact N-O 3.26Å; T58-G60 PolarHBondContact O-N 3.37Å
61	I	98.6	Very high	92.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.6	-172.1	-56.1	165.3	0	0	0	109.9	V10 M12 V24 Y27 V28 F45 V46 L59 F165	V10-I61 HydrophobicContact CB-CG1 4.33Å; V10-I61 CarbonylContact O-C 3.51Å; V10-I61 WeakPolarHBondContact O-CA 3.23Å; M12-I61 HydrophobicContact CG-CG2 3.87Å; M12-I61 HydrophobicContact SD-CG2 4Å; V24-I61 HydrophobicContact CG1-CG2 4.44Å; V24-I61 HydrophobicContact CG2-CG2 3.86Å; Y27-I61 HydrophobicContact CD1-CD1 3.99Å; Y27-I61 HydrophobicContact CE1-CD1 4.1Å; V28-I61 HydrophobicContact CG2-CD1 4.35Å; F45-I61 WeakPolarHBondContact CA-O 3.47Å; V46-I61 HydrophobicContact CG1-CB 3.95Å; V46-I61 HydrophobicContact CG1-CD1 4.49Å; V46-I61 PolarHBondContact N-O 3.37Å; V46-I61 PolarHBondContact O-N 3.08Å; L59-I61 HydrophobicContact CB-CD1 4.3Å; L59-I61 HydrophobicContact CB-CG1 4.11Å; I61-F165 HydrophobicContact CD1-CD1 4.08Å; I61-F165 HydrophobicContact CD1-CE1 3.69Å; I61-F165 HydrophobicContact CD1-CZ 4.48Å; I61-F165 HydrophobicContact CG1-CE1 4.31Å
62	W	97.8	Very high	92.5	Very high	72 Å²	72	44.6 Å²	44.6	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	101.8	174.1	-68.9	84.5	0	0	0	109.8	V10 V11 M12 A43 A44 F45 T64 Y77	V10-W62 PolarHBondContact O-N 3.11Å; V11-W62 HydrophobicContact CG2-CB 4.34Å; M12-W62 PolarHBondContact N-O 3.23Å; A43-W62 HydrophobicContact CB-CE3 4.07Å; A44-W62 CarbonylContact O-C 3.59Å; A44-W62 WeakPolarHBondContact O-CA 3.44Å; F45-W62 HydrophobicContact CB-CD2 4.29Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CH2 4.12Å; F45-W62 HydrophobicContact CB-CZ2 4.34Å; F45-W62 HydrophobicContact CB-CZ3 3.97Å; F45-W62 AromaticContact CD2-CD1 3.93Å; F45-W62 AromaticContact CD2-CD2 3.84Å; F45-W62 HydrophobicContact CD2-CD2 3.84Å; F45-W62 AromaticContact CD2-CE2 3.44Å; F45-W62 VanDerWaalsContact CD2-CE2 3.44Å; F45-W62 HydrophobicContact CD2-CE3 4.44Å; F45-W62 HydrophobicContact CD2-CG 4.16Å; F45-W62 HydrophobicContact CD2-CH2 4.38Å; F45-W62 AromaticContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ2 3.76Å; F45-W62 AromaticContact CD2-NE1 3.5Å; F45-W62 HydrophobicContact CE2-CZ2 4.34Å; F45-W62 AromaticContact CE2-NE1 3.71Å; F45-W62 HydrophobicContact CG-CD2 4.49Å; F45-W62 HydrophobicContact CG-CH2 4.38Å; F45-W62 HydrophobicContact CG-CZ2 4.15Å; W62-T64 PolarHBondContact O-N 3.02Å; W62-Y77 HydrophobicContact CD2-CD1 4.33Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.98Å; W62-Y77 HydrophobicContact CE3-CE1 3.98Å; W62-Y77 HydrophobicContact CE3-CG 4.49Å; W62-Y77 AromaticContact CZ3-CD1 3.79Å; W62-Y77 HydrophobicContact CZ3-CD1 3.79Å; W62-Y77 AromaticContact CZ3-CE1 3.83Å; W62-Y77 HydrophobicContact CZ3-CE1 3.83Å
63	D	96.9	Very high	92.3	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.6	172	-179.5	32.5	0	0	0	110.2	K20 T21 V24 A43 A44	K20-D63 VanDerWaalsContact CB-OD1 3.3Å; K20-D63 WeakPolarHBondContact CB-OD1 3.45Å; T21-D63 VanDerWaalsContact CA-OD2 3.32Å; T21-D63 WeakPolarHBondContact CA-OD2 3.48Å; T21-D63 VanDerWaalsContact CB-OD2 3.26Å; T21-D63 WeakPolarHBondContact CB-OD2 3.46Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.37Å; T21-D63 PolarHBondContact OG1-OD2 3.18Å; V24-D63 HydrophobicContact CG2-CB 4.25Å; A43-D63 CarbonylContact C-O 3.58Å; A43-D63 WeakPolarHBondContact CA-O 3.39Å; A43-D63 VanDerWaalsContact CB-O 3.31Å; A43-D63 WeakPolarHBondContact CB-O 3.25Å; A44-D63 HydrophobicContact CB-CB 4.42Å; A44-D63 PolarHBondContact N-O 2.73Å; A44-D63 PolarHBondContact O-N 2.93Å
64	T	95.1	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	154.8	-175.2	70.4	0	0	0	0	113.2	V11 M12 L13 K20 A43 W62 G66 Y77	V11-T64 HydrophobicContact CG2-CG2 3.64Å; M12-T64 WeakPolarHBondContact O-CB 3.42Å; M12-T64 WeakPolarHBondContact O-CG2 3.37Å; M12-T64 PolarHBondContact O-OG1 3.27Å; L13-T64 HydrophobicContact CD2-CG2 4.3Å; K20-T64 WeakPolarHBondContact CE-O 3.4Å; A43-T64 HydrophobicContact CB-CG2 4.16Å; W62-T64 PolarHBondContact O-N 3.02Å; T64-G66 PolarHBondContact O-N 3.13Å; T64-Y77 HydrophobicContact CG2-CD2 4.26Å; T64-Y77 HydrophobicContact CG2-CG 4.35Å
65	A	92	Very high	91.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	20%	0.203	C	C	.	.			trans	-57.2	130.8	167.2	0	0	0	0	0	111.1	T40 G42 Y70	T40-A65 WeakPolarHBondContact O-CB 3.47Å; G42-A65 WeakPolarHBondContact O-CB 3.45Å; G42-A65 PolarHBondContact O-N 3.08Å; A65-Y70 HydrophobicContact CB-CD2 3.84Å; A65-Y70 HydrophobicContact CB-CG 4.09Å
66	G	85.5	Confident	91.9	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	23%	0.227	C	C	.	.			trans	-91.6	-9.2	176.4	0	0	0	0	0	115	G14 K15 E16 K20 T64	G14-G66 WeakPolarHBondContact O-CA 3.33Å; K15-G66 CarbonylContact C-O 3.6Å; E16-G66 VanDerWaalsContact N-C 3.3Å; E16-G66 PolarHBondContact N-O 2.74Å; K20-G66 VanDerWaalsContact NZ-CA 3.27Å; T64-G66 PolarHBondContact O-N 3.13Å
67	S	88.4	Confident	91.7	Very high	21 Å²	21	46.7 Å²	46.7	15%	0.147	22%	0.222	C	C	.	.	S	Bend	trans	-75.4	137.6	-177.6	-163	0	0	0	0	110.5	E16 R69 Y70	E16-S67 WeakPolarHBondContact OE2-CA 3.47Å; E16-S67 WeakPolarHBondContact OE2-CB 3.21Å; E16-S67 PolarHBondContact OE2-OG 3.35Å; S67-R69 PolarHBondContact O-N 3.45Å; S67-Y70 PolarHBondContact O-N 2.93Å
68	E	85.5	Confident	91.5	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-61.4	-30.4	-178.8	-41.9	-159.6	137.7	0	0	112	Y70 E71 R98	E68-Y70 PolarHBondContact O-N 3.11Å; E68-E71 VanDerWaalsContact O-CB 3.24Å; E68-E71 WeakPolarHBondContact O-CB 3.48Å; E68-E71 PolarHBondContact O-N 2.79Å; E68-R98 IonicContact OE1-CZ 3.88Å; E68-R98 IonicContact OE1-NE 3.82Å; E68-R98 PolarHBondContact OE1-NE 3.17Å; E68-R98 IonicContact OE1-NH2 3.45Å; E68-R98 PolarHBondContact OE1-NH2 3.32Å
69	R	89.4	Confident	91.2	Very high	207 Å²	207	55.3 Å²	55.3	78%	0.781	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-52.2	-27.9	172.8	179.1	179.2	175.5	-172.9	-1.5	113.1	S67	S67-R69 PolarHBondContact O-N 3.45Å
70	Y	88.1	Confident	91	Very high	38 Å²	38	57 Å²	57	15%	0.149	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-109.3	5.5	-175.7	-61.1	-49.5	0	0	0	113.3	I41 A65 S67 E68 A72 M73	I41-Y70 HydrophobicContact CG1-CE2 4.29Å; I41-Y70 HydrophobicContact CG2-CE1 4.27Å; A65-Y70 HydrophobicContact CB-CD2 3.84Å; A65-Y70 HydrophobicContact CB-CG 4.09Å; S67-Y70 PolarHBondContact O-N 2.93Å; E68-Y70 PolarHBondContact O-N 3.11Å; Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.32Å; Y70-M73 VanDerWaalsContact CB-CE 3.42Å; Y70-M73 HydrophobicContact CD1-CE 3.22Å; Y70-M73 HydrophobicContact CE1-CE 4.16Å; Y70-M73 HydrophobicContact CG-CE 3.55Å; Y70-M73 WeakPolarHBondContact O-CB 3.28Å; Y70-M73 PolarHBondContact O-N 2.82Å
71	E	87.6	Confident	91	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-42.1	-173	-172.3	-168.2	110.8	0	0	113.2	E68 M73 S74 R98 F101 W102	E68-E71 VanDerWaalsContact O-CB 3.24Å; E68-E71 WeakPolarHBondContact O-CB 3.48Å; E68-E71 PolarHBondContact O-N 2.79Å; E71-M73 PolarHBondContact O-N 2.92Å; E71-M73 VanDerWaalsContact O-N 3.17Å; E71-S74 VanDerWaalsContact O-CB 3.28Å; E71-S74 WeakPolarHBondContact O-CB 3.4Å; E71-S74 PolarHBondContact O-N 2.88Å; E71-R98 IonicContact OE2-CZ 3.71Å; E71-R98 VanDerWaalsContact OE2-CZ 3.25Å; E71-R98 IonicContact OE2-NH1 2.71Å; E71-R98 PolarHBondContact OE2-NH1 2.99Å; E71-R98 IonicContact OE2-NH2 3.27Å; E71-R98 PolarHBondContact OE2-NH2 2.95Å; E71-F101 VanDerWaalsContact CD-CE1 3.49Å; E71-F101 HydrophobicContact CG-CE1 4.04Å; E71-F101 HydrophobicContact CG-CZ 4.31Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.15Å; E71-F101 WeakPolarHBondContact OE2-CE1 3.22Å; E71-W102 HydrophobicContact CB-CH2 4.14Å; E71-W102 HydrophobicContact CG-CH2 3.44Å; E71-W102 VanDerWaalsContact CG-CH2 3.44Å; E71-W102 HydrophobicContact CG-CZ2 4.01Å; E71-W102 HydrophobicContact CG-CZ3 4.06Å
72	A	86.9	Confident	90.9	Very high	83 Å²	83	61.7 Å²	61.7	69%	0.686	29%	0.289	S	S	*	.	H	α-helix	trans	-60.7	-27.2	179.4	0	0	0	0	0	113	Y70	Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.32Å
73	M	88.7	Confident	90.9	Very high	63 Å²	63	58.5 Å²	58.5	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-75.4	-28.6	176.7	-62.5	-171.7	-62.3	0	0	112.2	Y70 E71 R75 I76 Y77	Y70-M73 VanDerWaalsContact CB-CE 3.42Å; Y70-M73 HydrophobicContact CD1-CE 3.22Å; Y70-M73 HydrophobicContact CE1-CE 4.16Å; Y70-M73 HydrophobicContact CG-CE 3.55Å; Y70-M73 WeakPolarHBondContact O-CB 3.28Å; Y70-M73 PolarHBondContact O-N 2.82Å; E71-M73 PolarHBondContact O-N 2.92Å; E71-M73 VanDerWaalsContact O-N 3.17Å; M73-R75 PolarHBondContact O-N 2.62Å; M73-R75 VanDerWaalsContact O-N 3.13Å; M73-I76 PolarHBondContact O-N 3.31Å; M73-I76 VanDerWaalsContact O-N 3.08Å; M73-Y77 HydrophobicContact CB-CE2 4.15Å; M73-Y77 VanDerWaalsContact O-CD2 3.23Å; M73-Y77 WeakPolarHBondContact O-CD2 3.49Å
74	S	85.8	Confident	91	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-31.3	179.3	-59.6	0	0	0	0	112.5	E71 I76 Y77 Y78 W102	E71-S74 VanDerWaalsContact O-CB 3.28Å; E71-S74 WeakPolarHBondContact O-CB 3.4Å; E71-S74 PolarHBondContact O-N 2.88Å; S74-I76 VanDerWaalsContact C-N 3.25Å; S74-I76 PolarHBondContact O-N 3.2Å; S74-Y77 PolarHBondContact O-N 3.01Å; S74-Y78 WeakPolarHBondContact O-CD1 3.24Å; S74-Y78 PolarHBondContact O-N 3.35Å; S74-Y78 VanDerWaalsContact O-N 3.11Å; S74-W102 VanDerWaalsContact CB-CH2 3.46Å; S74-W102 VanDerWaalsContact CB-CZ3 3.49Å; S74-W102 VanDerWaalsContact OG-CH2 3.28Å; S74-W102 WeakPolarHBondContact OG-CH2 3.23Å
75	R	87	Confident	91.2	Very high	120 Å²	120	58.2 Å²	58.2	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-57.8	-35.5	177.7	-51.4	-155.3	167.5	167.3	-6.3	113.9	M73 Y77 Y78 E105	M73-R75 PolarHBondContact O-N 2.62Å; M73-R75 VanDerWaalsContact O-N 3.13Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; R75-Y78 VanDerWaalsContact CA-CZ 3.4Å; R75-Y78 HydrophobicContact CB-CE1 4.4Å; R75-Y78 HydrophobicContact CB-CE2 4.31Å; R75-Y78 HydrophobicContact CG-CE1 4.34Å; R75-Y78 VanDerWaalsContact CG-OH 3.25Å; R75-Y78 WeakPolarHBondContact CG-OH 3.28Å; R75-E105 IonicContact CZ-OE2 3.35Å; R75-E105 IonicContact NE-OE2 3.18Å; R75-E105 PolarHBondContact NE-OE2 2.88Å; R75-E105 IonicContact NH2-OE1 3.84Å; R75-E105 IonicContact NH2-OE2 2.73Å; R75-E105 PolarHBondContact NH2-OE2 2.97Å
76	I	91.5	Very high	91.5	Very high	122 Å²	122	58.2 Å²	58.2	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-70.3	-36.5	178.6	-59.3	169.1	0	0	0	110	M73 S74	M73-I76 PolarHBondContact O-N 3.31Å; M73-I76 VanDerWaalsContact O-N 3.08Å; S74-I76 VanDerWaalsContact C-N 3.25Å; S74-I76 PolarHBondContact O-N 3.2Å
77	Y	91.7	Very high	92.2	Very high	49 Å²	49	58.1 Å²	58.1	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-79.2	-37.1	-173.9	-60.5	-62.1	0	0	0	113.4	K9 A43 W62 T64 M73 S74 R75	K9-Y77 WeakPolarHBondContact CE-O 3.1Å; K9-Y77 PolarHBondContact NZ-O 3.13Å; A43-Y77 HydrophobicContact CB-CD1 3.64Å; A43-Y77 HydrophobicContact CB-CD2 3.65Å; A43-Y77 HydrophobicContact CB-CE1 3.57Å; A43-Y77 HydrophobicContact CB-CE2 3.58Å; A43-Y77 HydrophobicContact CB-CG 3.68Å; A43-Y77 PolarHBondContact N-OH 3.21Å; W62-Y77 HydrophobicContact CD2-CD1 4.33Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.98Å; W62-Y77 HydrophobicContact CE3-CE1 3.98Å; W62-Y77 HydrophobicContact CE3-CG 4.49Å; W62-Y77 AromaticContact CZ3-CD1 3.79Å; W62-Y77 HydrophobicContact CZ3-CD1 3.79Å; W62-Y77 AromaticContact CZ3-CE1 3.83Å; W62-Y77 HydrophobicContact CZ3-CE1 3.83Å; T64-Y77 HydrophobicContact CG2-CD2 4.26Å; T64-Y77 HydrophobicContact CG2-CG 4.35Å; M73-Y77 HydrophobicContact CB-CE2 4.15Å; M73-Y77 VanDerWaalsContact O-CD2 3.23Å; M73-Y77 WeakPolarHBondContact O-CD2 3.49Å; S74-Y77 PolarHBondContact O-N 3.01Å; R75-Y77 VanDerWaalsContact C-N 3.33Å
78	Y	91.1	Very high	92.7	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-80.2	-13.7	177.5	59	-121.1	0	0	0	114.1	L13 S74 R75 G80 A81 L106 L109 E110	L13-Y78 HydrophobicContact CD1-CD1 4.31Å; L13-Y78 HydrophobicContact CD2-CD1 4.3Å; S74-Y78 WeakPolarHBondContact O-CD1 3.24Å; S74-Y78 PolarHBondContact O-N 3.35Å; S74-Y78 VanDerWaalsContact O-N 3.11Å; R75-Y78 VanDerWaalsContact CA-CZ 3.4Å; R75-Y78 HydrophobicContact CB-CE1 4.4Å; R75-Y78 HydrophobicContact CB-CE2 4.31Å; R75-Y78 HydrophobicContact CG-CE1 4.34Å; R75-Y78 VanDerWaalsContact CG-OH 3.25Å; R75-Y78 WeakPolarHBondContact CG-OH 3.28Å; Y78-G80 PolarHBondContact O-N 2.85Å; Y78-A81 WeakPolarHBondContact O-CB 3.42Å; Y78-A81 PolarHBondContact O-N 3.07Å; Y78-L106 HydrophobicContact CD2-CD1 4.12Å; Y78-L106 HydrophobicContact CG-CD1 3.93Å; Y78-L109 HydrophobicContact CE2-CB 3.85Å; Y78-L109 HydrophobicContact CE2-CD1 3.51Å; Y78-L109 HydrophobicContact CE2-CG 4.26Å; Y78-L109 WeakPolarHBondContact OH-CD1 3.08Å; Y78-E110 HydrophobicContact CD2-CG 4.44Å; Y78-E110 WeakPolarHBondContact O-CG 3.45Å
79	R	92.2	Very high	93.3	Very high	192 Å²	192	51.5 Å²	51.5	73%	0.725	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	127.4	175.2	-175.9	174.3	174.1	138.6	-1.1	111.4	K9 A81 E110	K9-R79 PolarHBondContact NZ-O 3.46Å; R79-A81 PolarHBondContact O-N 2.98Å; R79-E110 VanDerWaalsContact CA-OE1 3.28Å; R79-E110 WeakPolarHBondContact CA-OE1 3.21Å
80	G	93.9	Very high	93.7	Very high	35 Å²	35	41.7 Å²	41.7	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	9.4	-174.6	0	0	0	0	0	115.1	Y78 E110	Y78-G80 PolarHBondContact O-N 2.85Å; G80-E110 PolarHBondContact N-OE1 3Å
81	A	97	Very high	94.2	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	21%	0.209	C	C	.	.			trans	-64.7	139.6	172.1	0	0	0	0	0	110	K9 V11 Y78 R79	K9-A81 HydrophobicContact CG-CB 4.42Å; V11-A81 HydrophobicContact CB-CB 4.3Å; V11-A81 HydrophobicContact CG1-CB 3.86Å; Y78-A81 WeakPolarHBondContact O-CB 3.42Å; Y78-A81 PolarHBondContact O-N 3.07Å; R79-A81 PolarHBondContact O-N 2.98Å
82	K	97.1	Very high	94.7	Very high	107 Å²	107	41.5 Å²	41.5	47%	0.465	21%	0.21	S	C	.	.	S	Bend	trans	-101	-25.3	177.3	-59.7	-58.2	-177.3	-175.2	0	111.7	V8 K9 Q114 Y172	V8-K82 HydrophobicContact CG2-CB 3.82Å; K9-K82 PolarHBondContact O-N 2.94Å; K82-Q114 PolarHBondContact O-N 3.41Å; K82-Y172 HydrophobicContact CB-CD2 4.08Å; K82-Y172 HydrophobicContact CB-CE2 3.83Å; K82-Y172 HydrophobicContact CG-CE2 3.83Å
83	A	98.5	Very high	95.3	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.9	171	0	0	0	0	0	110.8	K9 V10 V11 Q114 Y116 V168	K9-A83 PolarHBondContact O-N 3.48Å; V10-A83 WeakPolarHBondContact CA-O 3.45Å; V10-A83 HydrophobicContact CG1-CB 4.36Å; V10-A83 HydrophobicContact CG2-CB 4.34Å; V11-A83 PolarHBondContact N-O 3.21Å; A83-Q114 CarbonylContact C-O 3.55Å; A83-Q114 VanDerWaalsContact CA-O 3.26Å; A83-Q114 WeakPolarHBondContact CA-O 2.93Å; A83-Y116 HydrophobicContact CB-CD2 4.45Å; A83-Y116 HydrophobicContact CB-CE2 3.97Å; A83-V168 HydrophobicContact CB-CG1 3.7Å
84	A	98.6	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.8	170.7	0	0	0	0	0	110.1	V11 V86 L106 Q114 Y116	V11-A84 HydrophobicContact CG1-CB 3.69Å; V11-A84 CarbonylContact O-C 3.37Å; V11-A84 VanDerWaalsContact O-CA 3.31Å; V11-A84 WeakPolarHBondContact O-CA 3.43Å; A84-V86 HydrophobicContact CB-CG2 4.39Å; A84-L106 HydrophobicContact CB-CD2 3.32Å; A84-Q114 PolarHBondContact N-O 3.33Å; A84-Y116 PolarHBondContact O-N 3.01Å
85	I	98.9	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.2	169.2	-58.5	174.8	0	0	0	106.6	V10 V11 M12 L13 L23 Y116 C118 L164 F165 V168	V10-I85 HydrophobicContact CG1-CD1 4.11Å; V10-I85 HydrophobicContact CG1-CG1 4.11Å; V11-I85 PolarHBondContact O-N 3.11Å; M12-I85 WeakPolarHBondContact CA-O 3.41Å; M12-I85 HydrophobicContact CE-CB 3.85Å; M12-I85 HydrophobicContact CE-CD1 4.16Å; M12-I85 HydrophobicContact CE-CG2 3.77Å; M12-I85 HydrophobicContact SD-CB 3.81Å; M12-I85 HydrophobicContact SD-CD1 3.83Å; M12-I85 HydrophobicContact SD-CG1 4.24Å; M12-I85 HydrophobicContact SD-CG2 4.4Å; L13-I85 PolarHBondContact N-O 3.48Å; L23-I85 HydrophobicContact CD2-CG2 4.44Å; I85-Y116 CarbonylContact C-O 3.48Å; I85-Y116 WeakPolarHBondContact CA-O 3.39Å; I85-C118 HydrophobicContact CG2-CB 3.73Å; I85-L164 HydrophobicContact CD1-CD1 4.46Å; I85-L164 HydrophobicContact CD1-CD2 4.15Å; I85-L164 HydrophobicContact CD1-CG 4.16Å; I85-L164 HydrophobicContact CG2-CD2 3.99Å; I85-F165 HydrophobicContact CD1-CD1 3.93Å; I85-F165 HydrophobicContact CD1-CE1 3.47Å; I85-F165 VanDerWaalsContact CD1-CE1 3.47Å; I85-F165 HydrophobicContact CD1-CE2 4.49Å; I85-F165 HydrophobicContact CD1-CZ 3.79Å; I85-V168 HydrophobicContact CD1-CG2 4.26Å; I85-V168 HydrophobicContact CG1-CG2 4.35Å
86	V	98.7	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.6	-179.2	-172.1	0	0	0	0	108.4	L13 A84 A99 W102 V103 I115 Y116 L117 C118	L13-V86 HydrophobicContact CB-CG1 4.49Å; L13-V86 HydrophobicContact CB-CG2 4.33Å; L13-V86 CarbonylContact O-C 3.51Å; L13-V86 WeakPolarHBondContact O-CA 3.34Å; A84-V86 HydrophobicContact CB-CG2 4.39Å; V86-A99 HydrophobicContact CG1-CB 3.71Å; V86-W102 HydrophobicContact CG1-CB 4.13Å; V86-V103 HydrophobicContact CG1-CG2 4.3Å; V86-V103 HydrophobicContact CG2-CG2 4.18Å; V86-I115 HydrophobicContact CG2-CG2 4.02Å; V86-Y116 PolarHBondContact N-O 3.36Å; V86-L117 HydrophobicContact CB-CD2 4.13Å; V86-L117 HydrophobicContact CG1-CD2 4.37Å; V86-C118 PolarHBondContact O-N 2.62Å
87	C	98.9	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.3	-174.6	-60	0	0	0	0	112.4	L13 G14 V18 K20 C118 T120	L13-C87 PolarHBondContact O-N 3.49Å; G14-C87 WeakPolarHBondContact CA-O 3.32Å; V18-C87 HydrophobicContact CG2-CB 3.72Å; K20-C87 HydrophobicContact CG-CB 3.96Å; C87-C118 VanDerWaalsContact CA-O 3.26Å; C87-C118 WeakPolarHBondContact CA-O 3.26Å; C87-T120 HydrophobicContact CB-CG2 4.1Å
88	Y	98.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.3	166.6	65.5	-81.6	0	0	0	109.1	L90 F96 L117 C118 G119 T120 V134 V139 L150	Y88-L90 HydrophobicContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CD1-CD2 4.01Å; Y88-F96 HydrophobicContact CD2-CB 4.07Å; Y88-F96 HydrophobicContact CD2-CD2 4.04Å; Y88-F96 HydrophobicContact CD2-CG 4.38Å; Y88-F96 HydrophobicContact CE1-CD2 4.35Å; Y88-F96 HydrophobicContact CE2-CD2 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.26Å; Y88-F96 AromaticContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CD2 3.87Å; Y88-L117 HydrophobicContact CE1-CB 4.43Å; Y88-C118 PolarHBondContact N-O 2.9Å; Y88-G119 VanDerWaalsContact CE1-N 3.26Å; Y88-G119 CarbonylContact O-C 3.43Å; Y88-G119 WeakPolarHBondContact O-CA 3.31Å; Y88-T120 PolarHBondContact O-N 3.43Å; Y88-T120 PolarHBondContact O-OG1 3.21Å; Y88-T120 VanDerWaalsContact O-OG1 3.1Å; Y88-V134 HydrophobicContact CD2-CB 4.47Å; Y88-V134 HydrophobicContact CD2-CG1 4.21Å; Y88-V134 HydrophobicContact CD2-CG2 4.19Å; Y88-V134 HydrophobicContact CE2-CB 4.18Å; Y88-V134 HydrophobicContact CE2-CG1 3.81Å; Y88-V134 HydrophobicContact CE2-CG2 4.4Å; Y88-V139 HydrophobicContact CE1-CG1 4.09Å; Y88-V139 HydrophobicContact CE2-CG2 4.11Å; Y88-V139 WeakPolarHBondContact OH-CG1 3.41Å; Y88-L150 HydrophobicContact CE1-CD1 4.48Å
89	D	98.7	Very high	97.8	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.4	177.9	178.3	-15.7	0	0	0	109.6	V18 T91 D92 S95 T120 K121	V18-D89 HydrophobicContact CB-CB 4.33Å; V18-D89 HydrophobicContact CG1-CB 4.25Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.26Å; D89-T91 WeakPolarHBondContact OD1-CA 3.43Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 2.78Å; D89-T91 PolarHBondContact OD2-OG1 3.35Å; D89-D92 HydrophobicContact CB-CB 4.12Å; D89-D92 PolarHBondContact O-N 3.33Å; D89-S95 PolarHBondContact N-OG 3.36Å; D89-S95 PolarHBondContact O-OG 2.87Å; D89-T120 WeakPolarHBondContact CA-OG1 3.39Å; D89-K121 WeakPolarHBondContact OD2-CD 3.42Å; D89-K121 WeakPolarHBondContact OD2-CE 3.45Å; D89-K121 IonicContact OD2-NZ 2.77Å; D89-K121 PolarHBondContact OD2-NZ 2.93Å
90	L	98.8	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	-179.6	-66.3	171.1	0	0	0	113.5	Y88 T120 L125 R133 V134 E152	Y88-L90 HydrophobicContact CE2-CD2 3.76Å; L90-T120 WeakPolarHBondContact CB-O 3.34Å; L90-T120 WeakPolarHBondContact CD1-O 3.13Å; L90-T120 VanDerWaalsContact CG-O 3.24Å; L90-T120 WeakPolarHBondContact CG-O 3.43Å; L90-T120 PolarHBondContact N-O 3.4Å; L90-L125 HydrophobicContact CB-CD1 4.01Å; L90-L125 HydrophobicContact CB-CD2 3.98Å; L90-L125 HydrophobicContact CD1-CD2 4.06Å; L90-R133 PolarHBondContact O-N 3.11Å; L90-V134 PolarHBondContact O-N 3.3Å; L90-E152 HydrophobicContact CD1-CB 4.14Å; L90-E152 HydrophobicContact CD1-CG 4.12Å; L90-E152 HydrophobicContact CD2-CG 4.01Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.34Å
91	T	98.5	Very high	98.2	Very high	38 Å²	38	27.9 Å²	27.9	23%	0.233	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.2	-179.4	73.1	0	0	0	0	114.2	D89 L124 L125 R131 R133	D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.26Å; D89-T91 WeakPolarHBondContact OD1-CA 3.43Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 2.78Å; D89-T91 PolarHBondContact OD2-OG1 3.35Å; T91-L124 HydrophobicContact CG2-CB 4.08Å; T91-L124 HydrophobicContact CG2-CD1 3.95Å; T91-L125 HydrophobicContact CG2-CD1 3.65Å; T91-R131 WeakPolarHBondContact CA-O 3.49Å; T91-R131 HydrophobicContact CG2-CB 4.07Å; T91-R133 WeakPolarHBondContact O-CB 3.32Å; T91-R133 WeakPolarHBondContact O-CG 3.25Å
92	D	98.4	Very high	98.2	Very high	44 Å²	44	27.9 Å²	27.9	24%	0.235	14%	0.144	C	C	.	.			trans	-131	102	179.3	176.4	11.2	0	0	0	111.2	K15 D89 S94 S95	K15-D92 IonicContact NZ-OD2 3.05Å; K15-D92 PolarHBondContact NZ-OD2 3.49Å; D89-D92 HydrophobicContact CB-CB 4.12Å; D89-D92 PolarHBondContact O-N 3.33Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CB 3.38Å; D92-S94 PolarHBondContact OD1-N 2.78Å; D92-S94 PolarHBondContact OD1-OG 2.67Å; D92-S94 PolarHBondContact OD2-OG 2.71Å; D92-S95 WeakPolarHBondContact O-CB 3.38Å; D92-S95 PolarHBondContact O-N 3.28Å; D92-S95 PolarHBondContact O-OG 2.84Å
93	S	97.7	Very high	98.2	Very high	69 Å²	69	23 Å²	23	48%	0.483	12%	0.123	S	C	.	.	H	α-helix	trans	-60.9	-31.4	178.9	57.3	0	0	0	0	113.8	S95 F96 E97	S93-S95 PolarHBondContact O-N 3.19Å; S93-F96 PolarHBondContact O-N 3.47Å; S93-E97 PolarHBondContact O-N 2.9Å
94	S	97.8	Very high	98.1	Very high	55 Å²	55	30 Å²	30	39%	0.385	15%	0.153	S	C	.	.	H	α-helix	trans	-67	-25.8	177.4	74.6	0	0	0	0	112.2	K15 D92 F96 R98	K15-S94 PolarHBondContact NZ-OG 3.25Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CB 3.38Å; D92-S94 PolarHBondContact OD1-N 2.78Å; D92-S94 PolarHBondContact OD1-OG 2.67Å; D92-S94 PolarHBondContact OD2-OG 2.71Å; S94-F96 VanDerWaalsContact C-N 3.35Å; S94-R98 PolarHBondContact O-N 3.05Å; S94-R98 VanDerWaalsContact O-N 3.12Å
95	S	98.4	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-32.2	175.5	79.5	0	0	0	0	112.6	D89 D92 S93 R98 A99	D89-S95 PolarHBondContact N-OG 3.36Å; D89-S95 PolarHBondContact O-OG 2.87Å; D92-S95 WeakPolarHBondContact O-CB 3.38Å; D92-S95 PolarHBondContact O-N 3.28Å; D92-S95 PolarHBondContact O-OG 2.84Å; S93-S95 PolarHBondContact O-N 3.19Å; S95-R98 PolarHBondContact O-N 3.13Å; S95-A99 PolarHBondContact O-N 3.25Å
96	F	98.7	Very high	97.8	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-71.7	-40.5	175.3	-178	-125.6	0	0	0	111.7	Y88 S93 S94 R98 A99 K100 V134 V139 Y142	Y88-F96 HydrophobicContact CD1-CD2 4.01Å; Y88-F96 HydrophobicContact CD2-CB 4.07Å; Y88-F96 HydrophobicContact CD2-CD2 4.04Å; Y88-F96 HydrophobicContact CD2-CG 4.38Å; Y88-F96 HydrophobicContact CE1-CD2 4.35Å; Y88-F96 HydrophobicContact CE2-CD2 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.26Å; Y88-F96 AromaticContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CD2 3.87Å; S93-F96 PolarHBondContact O-N 3.47Å; S94-F96 VanDerWaalsContact C-N 3.35Å; F96-R98 PolarHBondContact O-N 2.88Å; F96-A99 HydrophobicContact CD2-CB 4.43Å; F96-A99 WeakPolarHBondContact O-CA 3.4Å; F96-A99 WeakPolarHBondContact O-CB 3.45Å; F96-A99 PolarHBondContact O-N 3.01Å; F96-K100 PolarHBondContact O-N 3.15Å; F96-V134 HydrophobicContact CB-CG1 4.08Å; F96-V134 HydrophobicContact CB-CG2 4.05Å; F96-V134 HydrophobicContact CD1-CG1 3.91Å; F96-V134 HydrophobicContact CE1-CG1 4.48Å; F96-V134 HydrophobicContact CG-CG1 3.92Å; F96-V139 HydrophobicContact CD1-CG2 4.37Å; F96-V139 HydrophobicContact CD2-CG2 4.2Å; F96-V139 HydrophobicContact CE1-CG2 3.93Å; F96-V139 HydrophobicContact CE2-CB 4.28Å; F96-V139 HydrophobicContact CE2-CG1 3.82Å; F96-V139 HydrophobicContact CE2-CG2 3.79Å; F96-V139 HydrophobicContact CG-CG2 4.5Å; F96-V139 HydrophobicContact CZ-CB 4.09Å; F96-V139 HydrophobicContact CZ-CG1 4.05Å; F96-V139 HydrophobicContact CZ-CG2 3.64Å; F96-Y142 AromaticContact CE2-CD1 3.98Å; F96-Y142 HydrophobicContact CE2-CD1 3.98Å; F96-Y142 AromaticContact CZ-CD1 3.79Å; F96-Y142 HydrophobicContact CZ-CD1 3.79Å; F96-Y142 HydrophobicContact CZ-CG 4.12Å
97	E	98.1	Very high	97.7	Very high	111 Å²	111	34.9 Å²	34.9	52%	0.519	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-38.4	171.2	-66	-51.7	128	0	0	111.7	S93 K100 F101	S93-E97 PolarHBondContact O-N 2.9Å; E97-K100 WeakPolarHBondContact O-CB 3.35Å; E97-K100 PolarHBondContact O-N 3.45Å; E97-K100 IonicContact OE1-NZ 3.84Å; E97-K100 PolarHBondContact OE1-NZ 2.95Å; E97-K100 IonicContact OE2-NZ 3.95Å; E97-F101 PolarHBondContact O-N 2.63Å
98	R	97.3	Very high	97.5	Very high	28 Å²	28	38.6 Å²	38.6	11%	0.106	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-34.2	174	-157.7	61.1	159.3	129.1	14.2	112.8	K15 E68 E71 S94 S95 F96 K100 F101 W102	K15-R98 HydrophobicContact CB-CB 4.02Å; K15-R98 HydrophobicContact CB-CG 3.99Å; K15-R98 HydrophobicContact CG-CG 4.45Å; E68-R98 IonicContact OE1-CZ 3.88Å; E68-R98 IonicContact OE1-NE 3.82Å; E68-R98 PolarHBondContact OE1-NE 3.17Å; E68-R98 IonicContact OE1-NH2 3.45Å; E68-R98 PolarHBondContact OE1-NH2 3.32Å; E71-R98 IonicContact OE2-CZ 3.71Å; E71-R98 VanDerWaalsContact OE2-CZ 3.25Å; E71-R98 IonicContact OE2-NH1 2.71Å; E71-R98 PolarHBondContact OE2-NH1 2.99Å; E71-R98 IonicContact OE2-NH2 3.27Å; E71-R98 PolarHBondContact OE2-NH2 2.95Å; S94-R98 PolarHBondContact O-N 3.05Å; S94-R98 VanDerWaalsContact O-N 3.12Å; S95-R98 PolarHBondContact O-N 3.13Å; F96-R98 PolarHBondContact O-N 2.88Å; R98-K100 VanDerWaalsContact C-N 3.33Å; R98-F101 WeakPolarHBondContact O-CB 3.43Å; R98-F101 PolarHBondContact O-N 2.86Å; R98-W102 PolarHBondContact O-N 2.83Å
99	A	98.3	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-41.1	171.7	0	0	0	0	0	111.5	V86 S95 F96 F101 W102 V103	V86-A99 HydrophobicContact CG1-CB 3.71Å; S95-A99 PolarHBondContact O-N 3.25Å; F96-A99 HydrophobicContact CD2-CB 4.43Å; F96-A99 WeakPolarHBondContact O-CA 3.4Å; F96-A99 WeakPolarHBondContact O-CB 3.45Å; F96-A99 PolarHBondContact O-N 3.01Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 3.04Å; A99-W102 PolarHBondContact O-N 2.8Å; A99-W102 VanDerWaalsContact O-N 3.17Å; A99-V103 WeakPolarHBondContact O-CG2 3.3Å; A99-V103 PolarHBondContact O-N 2.86Å
100	K	98.5	Very high	96.9	Very high	51 Å²	51	44.6 Å²	44.6	22%	0.222	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.4	-62.8	176.1	-177	164.9	0	112.3	F96 E97 R98 V103 K104 Y142	F96-K100 PolarHBondContact O-N 3.15Å; E97-K100 WeakPolarHBondContact O-CB 3.35Å; E97-K100 PolarHBondContact O-N 3.45Å; E97-K100 IonicContact OE1-NZ 3.84Å; E97-K100 PolarHBondContact OE1-NZ 2.95Å; E97-K100 IonicContact OE2-NZ 3.95Å; R98-K100 VanDerWaalsContact C-N 3.33Å; K100-V103 PolarHBondContact O-N 3.36Å; K100-K104 WeakPolarHBondContact O-CG 3.45Å; K100-K104 PolarHBondContact O-N 2.8Å; K100-Y142 WeakPolarHBondContact CA-OH 3.15Å; K100-Y142 HydrophobicContact CD-CE2 4.45Å; K100-Y142 HydrophobicContact CG-CD1 4.34Å; K100-Y142 HydrophobicContact CG-CE1 3.81Å; K100-Y142 HydrophobicContact CG-CE2 4.02Å
101	F	96.5	Very high	96.7	Very high	57 Å²	57	52.4 Å²	52.4	25%	0.25	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-50.3	172.5	168.1	-90.8	0	0	0	111.7	E71 E97 R98 A99 V103 K104 E105	E71-F101 VanDerWaalsContact CD-CE1 3.49Å; E71-F101 HydrophobicContact CG-CE1 4.04Å; E71-F101 HydrophobicContact CG-CZ 4.31Å; E71-F101 WeakPolarHBondContact OE1-CZ 3.15Å; E71-F101 WeakPolarHBondContact OE2-CE1 3.22Å; E97-F101 PolarHBondContact O-N 2.63Å; R98-F101 WeakPolarHBondContact O-CB 3.43Å; R98-F101 PolarHBondContact O-N 2.86Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 3.04Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 2.94Å; F101-K104 PolarHBondContact O-N 3.17Å; F101-K104 VanDerWaalsContact O-N 3.13Å; F101-E105 HydrophobicContact CD1-CG 4.28Å; F101-E105 HydrophobicContact CD2-CG 4.45Å; F101-E105 HydrophobicContact CE1-CG 3.64Å; F101-E105 HydrophobicContact CE2-CG 3.83Å; F101-E105 HydrophobicContact CZ-CG 3.37Å; F101-E105 PolarHBondContact O-N 3.29Å
102	W	96.6	Very high	96.5	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-36.6	-179.3	-76.9	119.3	0	0	0	113.5	L13 E71 S74 V86 R98 A99 L106	L13-W102 HydrophobicContact CB-CB 4.15Å; L13-W102 HydrophobicContact CB-CD2 4.4Å; L13-W102 HydrophobicContact CB-CG 4.15Å; L13-W102 HydrophobicContact CD1-CB 4.45Å; L13-W102 HydrophobicContact CD1-CE3 4.49Å; L13-W102 HydrophobicContact CD2-CD2 4.43Å; L13-W102 HydrophobicContact CD2-CE3 4.1Å; L13-W102 HydrophobicContact CD2-CZ3 4.36Å; E71-W102 HydrophobicContact CB-CH2 4.14Å; E71-W102 HydrophobicContact CG-CH2 3.44Å; E71-W102 VanDerWaalsContact CG-CH2 3.44Å; E71-W102 HydrophobicContact CG-CZ2 4.01Å; E71-W102 HydrophobicContact CG-CZ3 4.06Å; S74-W102 VanDerWaalsContact CB-CH2 3.46Å; S74-W102 VanDerWaalsContact CB-CZ3 3.49Å; S74-W102 VanDerWaalsContact OG-CH2 3.28Å; S74-W102 WeakPolarHBondContact OG-CH2 3.23Å; V86-W102 HydrophobicContact CG1-CB 4.13Å; R98-W102 PolarHBondContact O-N 2.83Å; A99-W102 PolarHBondContact O-N 2.8Å; A99-W102 VanDerWaalsContact O-N 3.17Å; W102-L106 VanDerWaalsContact O-CB 3.28Å; W102-L106 WeakPolarHBondContact O-CB 3.41Å; W102-L106 PolarHBondContact O-N 3.06Å
103	V	97.9	Very high	96.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-46.1	173.7	167.5	0	0	0	0	111.1	V86 A99 K100 F101 L106 R107 I115 L117 Y142 I146	V86-V103 HydrophobicContact CG1-CG2 4.3Å; V86-V103 HydrophobicContact CG2-CG2 4.18Å; A99-V103 WeakPolarHBondContact O-CG2 3.3Å; A99-V103 PolarHBondContact O-N 2.86Å; K100-V103 PolarHBondContact O-N 3.36Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 2.94Å; V103-L106 PolarHBondContact O-N 2.92Å; V103-R107 HydrophobicContact CG1-CG 4.44Å; V103-R107 WeakPolarHBondContact O-CB 3.39Å; V103-R107 WeakPolarHBondContact O-CG 3.07Å; V103-R107 PolarHBondContact O-N 3.05Å; V103-I115 HydrophobicContact CG1-CD1 3.91Å; V103-I115 HydrophobicContact CG2-CD1 4.37Å; V103-I115 HydrophobicContact CG2-CG2 4.31Å; V103-L117 HydrophobicContact CG2-CD2 4.35Å; V103-Y142 WeakPolarHBondContact CB-OH 3.37Å; V103-Y142 WeakPolarHBondContact CG1-OH 3.33Å; V103-Y142 HydrophobicContact CG2-CE1 4.48Å; V103-I146 HydrophobicContact CB-CD1 4.39Å; V103-I146 HydrophobicContact CG1-CB 4.39Å; V103-I146 HydrophobicContact CG1-CD1 3.68Å; V103-I146 HydrophobicContact CG1-CG2 4.25Å; V103-I146 HydrophobicContact CG2-CD1 3.83Å
104	K	96.7	Very high	96.4	Very high	151 Å²	151	52.2 Å²	52.2	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-46.5	179.2	-69.7	176.1	-178.9	179.2	0	111.6	K100 F101 R107 S108	K100-K104 WeakPolarHBondContact O-CG 3.45Å; K100-K104 PolarHBondContact O-N 2.8Å; F101-K104 PolarHBondContact O-N 3.17Å; F101-K104 VanDerWaalsContact O-N 3.13Å; K104-R107 PolarHBondContact O-N 3.41Å; K104-S108 PolarHBondContact O-N 2.83Å; K104-S108 VanDerWaalsContact O-N 3.1Å
105	E	94.7	Very high	96.5	Very high	33 Å²	33	49.6 Å²	49.6	15%	0.154	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-48.3	176.9	-76.7	-67	104.8	0	0	111.4	R75 F101 R107 S108	R75-E105 IonicContact CZ-OE2 3.35Å; R75-E105 IonicContact NE-OE2 3.18Å; R75-E105 PolarHBondContact NE-OE2 2.88Å; R75-E105 IonicContact NH2-OE1 3.84Å; R75-E105 IonicContact NH2-OE2 2.73Å; R75-E105 PolarHBondContact NH2-OE2 2.97Å; F101-E105 HydrophobicContact CD1-CG 4.28Å; F101-E105 HydrophobicContact CD2-CG 4.45Å; F101-E105 HydrophobicContact CE1-CG 3.64Å; F101-E105 HydrophobicContact CE2-CG 3.83Å; F101-E105 HydrophobicContact CZ-CG 3.37Å; F101-E105 PolarHBondContact O-N 3.29Å; E105-R107 PolarHBondContact O-N 3.17Å; E105-S108 WeakPolarHBondContact O-CB 3.31Å; E105-S108 PolarHBondContact O-N 2.9Å; E105-S108 PolarHBondContact O-OG 2.86Å
106	L	96.5	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-49.9	178.3	176.2	68.5	0	0	0	111.4	L13 Y78 A84 W102 V103 S108 L109 E110 C113 I115	L13-L106 HydrophobicContact CD1-CB 4.4Å; Y78-L106 HydrophobicContact CD2-CD1 4.12Å; Y78-L106 HydrophobicContact CG-CD1 3.93Å; A84-L106 HydrophobicContact CB-CD2 3.32Å; W102-L106 VanDerWaalsContact O-CB 3.28Å; W102-L106 WeakPolarHBondContact O-CB 3.41Å; W102-L106 PolarHBondContact O-N 3.06Å; V103-L106 PolarHBondContact O-N 2.92Å; L106-S108 PolarHBondContact O-N 2.93Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-L109 VanDerWaalsContact O-N 3.12Å; L106-E110 HydrophobicContact CD1-CB 4.03Å; L106-E110 HydrophobicContact CD1-CG 4.44Å; L106-E110 PolarHBondContact O-N 3.33Å; L106-C113 HydrophobicContact CD1-CB 4.35Å; L106-C113 HydrophobicContact CD2-CB 4.31Å; L106-C113 HydrophobicContact CG-CB 4.4Å; L106-I115 HydrophobicContact CD2-CD1 3.91Å; L106-I115 HydrophobicContact CD2-CG1 3.87Å
107	R	95.8	Very high	96.5	Very high	70 Å²	70	49.2 Å²	49.2	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-25.6	-178.4	-72.9	-71	-164.4	-156	-5.6	113	V103 K104 E105 L109 E111 C113 I115 I146	V103-R107 HydrophobicContact CG1-CG 4.44Å; V103-R107 WeakPolarHBondContact O-CB 3.39Å; V103-R107 WeakPolarHBondContact O-CG 3.07Å; V103-R107 PolarHBondContact O-N 3.05Å; K104-R107 PolarHBondContact O-N 3.41Å; E105-R107 PolarHBondContact O-N 3.17Å; R107-L109 PolarHBondContact O-N 2.8Å; R107-E111 PolarHBondContact NH1-O 3.32Å; R107-C113 PolarHBondContact NH1-O 3.11Å; R107-I115 HydrophobicContact CG-CD1 4.14Å; R107-I146 PolarHBondContact NH2-O 2.63Å
108	S	94.3	Very high	96.5	Very high	78 Å²	78	44 Å²	44	55%	0.545	23%	0.23	S	C	.	.	H	α-helix	trans	-68.8	-20.9	176.7	78.6	0	0	0	0	114	K104 E105 L106	K104-S108 PolarHBondContact O-N 2.83Å; K104-S108 VanDerWaalsContact O-N 3.1Å; E105-S108 WeakPolarHBondContact O-CB 3.31Å; E105-S108 PolarHBondContact O-N 2.9Å; E105-S108 PolarHBondContact O-OG 2.86Å; L106-S108 PolarHBondContact O-N 2.93Å
109	L	92	Very high	96.6	Very high	97 Å²	97	42.6 Å²	42.6	51%	0.508	23%	0.225	S	C	.	.	H	α-helix	trans	-121	-29.1	-176.7	-72.4	175	0	0	0	113.4	Y78 L106 R107	Y78-L109 HydrophobicContact CE2-CB 3.85Å; Y78-L109 HydrophobicContact CE2-CD1 3.51Å; Y78-L109 HydrophobicContact CE2-CG 4.26Å; Y78-L109 WeakPolarHBondContact OH-CD1 3.08Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-L109 VanDerWaalsContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 2.8Å
110	E	94.6	Very high	96.6	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.192	23%	0.225	C	C	.	.			trans	-133.2	65.9	-178.4	-60.9	-64.5	158.6	0	0	110	Y78 R79 G80 L106 G112 C113	Y78-E110 HydrophobicContact CD2-CG 4.44Å; Y78-E110 WeakPolarHBondContact O-CG 3.45Å; R79-E110 VanDerWaalsContact CA-OE1 3.28Å; R79-E110 WeakPolarHBondContact CA-OE1 3.21Å; G80-E110 PolarHBondContact N-OE1 3Å; L106-E110 HydrophobicContact CD1-CB 4.03Å; L106-E110 HydrophobicContact CD1-CG 4.44Å; L106-E110 PolarHBondContact O-N 3.33Å; E110-G112 PolarHBondContact O-N 2.8Å; E110-G112 VanDerWaalsContact O-N 3.15Å; E110-C113 HydrophobicContact CB-CB 3.91Å; E110-C113 VanDerWaalsContact O-CB 3.28Å; E110-C113 WeakPolarHBondContact O-CB 3.42Å; E110-C113 PolarHBondContact O-N 3.28Å
111	E	93.9	Very high	96.6	Very high	163 Å²	163	43 Å²	43	76%	0.762	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.3	-178.2	-173.2	-178.2	176.6	0	0	112.5	R107 C113	R107-E111 PolarHBondContact NH1-O 3.32Å; E111-C113 PolarHBondContact O-N 2.98Å
112	G	93.4	Very high	96.7	Very high	78 Å²	78	40.6 Å²	40.6	80%	0.804	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	1	179.8	0	0	0	0	0	115.9	E110 Q114	E110-G112 PolarHBondContact O-N 2.8Å; E110-G112 VanDerWaalsContact O-N 3.15Å; G112-Q114 PolarHBondContact O-N 3.41Å
113	C	97.1	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.22	C	C	.	.			trans	-70.2	129.1	179	-174	0	0	0	0	110.7	L106 R107 E110 E111	L106-C113 HydrophobicContact CD1-CB 4.35Å; L106-C113 HydrophobicContact CD2-CB 4.31Å; L106-C113 HydrophobicContact CG-CB 4.4Å; R107-C113 PolarHBondContact NH1-O 3.11Å; E110-C113 HydrophobicContact CB-CB 3.91Å; E110-C113 VanDerWaalsContact O-CB 3.28Å; E110-C113 WeakPolarHBondContact O-CB 3.42Å; E110-C113 PolarHBondContact O-N 3.28Å; E111-C113 PolarHBondContact O-N 2.98Å
114	Q	98.1	Very high	96.8	Very high	69 Å²	69	42.9 Å²	42.9	32%	0.322	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.9	175.8	-177.1	57.1	37.8	0	0	109.9	K82 A83 A84 G112 Y116 K147	K82-Q114 PolarHBondContact O-N 3.41Å; A83-Q114 CarbonylContact C-O 3.55Å; A83-Q114 VanDerWaalsContact CA-O 3.26Å; A83-Q114 WeakPolarHBondContact CA-O 2.93Å; A84-Q114 PolarHBondContact N-O 3.33Å; G112-Q114 PolarHBondContact O-N 3.41Å; Q114-Y116 HydrophobicContact CB-CE2 4.14Å; Q114-Y116 HydrophobicContact CG-CD2 4.45Å; Q114-Y116 HydrophobicContact CG-CE2 3.57Å; Q114-Y116 WeakPolarHBondContact CG-OH 3.42Å; Q114-K147 PolarHBondContact NE2-O 3.13Å
115	I	98.7	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.5	-175.4	-59.9	179.8	0	0	0	110	V86 V103 L106 R107 I146 A148 Q149	V86-I115 HydrophobicContact CG2-CG2 4.02Å; V103-I115 HydrophobicContact CG1-CD1 3.91Å; V103-I115 HydrophobicContact CG2-CD1 4.37Å; V103-I115 HydrophobicContact CG2-CG2 4.31Å; L106-I115 HydrophobicContact CD2-CD1 3.91Å; L106-I115 HydrophobicContact CD2-CG1 3.87Å; R107-I115 HydrophobicContact CG-CD1 4.14Å; I115-I146 HydrophobicContact CG2-CD1 4.25Å; I115-A148 HydrophobicContact CB-CB 3.95Å; I115-A148 HydrophobicContact CG2-CB 3.79Å; I115-A148 VanDerWaalsContact O-CA 3.23Å; I115-A148 WeakPolarHBondContact O-CA 3.44Å; I115-A148 WeakPolarHBondContact O-CB 3.3Å; I115-Q149 PolarHBondContact O-N 3.16Å; I115-Q149 VanDerWaalsContact O-N 3.11Å
116	Y	98.9	Very high	97	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.5	170.8	-57.2	-96.9	0	0	0	107.4	A83 A84 I85 V86 Q114 Q149 F151 L164 K167 V168 D171	A83-Y116 HydrophobicContact CB-CD2 4.45Å; A83-Y116 HydrophobicContact CB-CE2 3.97Å; A84-Y116 PolarHBondContact O-N 3.01Å; I85-Y116 CarbonylContact C-O 3.48Å; I85-Y116 WeakPolarHBondContact CA-O 3.39Å; V86-Y116 PolarHBondContact N-O 3.36Å; Q114-Y116 HydrophobicContact CB-CE2 4.14Å; Q114-Y116 HydrophobicContact CG-CD2 4.45Å; Q114-Y116 HydrophobicContact CG-CE2 3.57Å; Q114-Y116 WeakPolarHBondContact CG-OH 3.42Å; Y116-Q149 CarbonylContact C-O 3.47Å; Y116-Q149 WeakPolarHBondContact CA-O 3.49Å; Y116-Q149 HydrophobicContact CD1-CB 3.93Å; Y116-Q149 HydrophobicContact CE1-CB 4.26Å; Y116-Q149 HydrophobicContact CE1-CG 4.49Å; Y116-F151 AromaticContact CD1-CE2 3.97Å; Y116-F151 HydrophobicContact CD1-CE2 3.97Å; Y116-L164 HydrophobicContact CD1-CD1 4.2Å; Y116-L164 HydrophobicContact CG-CD1 4.27Å; Y116-K167 HydrophobicContact CE1-CG 4.07Å; Y116-V168 HydrophobicContact CD1-CG2 4.18Å; Y116-V168 HydrophobicContact CD2-CG2 3.75Å; Y116-V168 HydrophobicContact CE1-CG2 4.06Å; Y116-V168 HydrophobicContact CE2-CB 4.35Å; Y116-V168 HydrophobicContact CE2-CG2 3.61Å; Y116-V168 HydrophobicContact CG-CG2 4.05Å; Y116-D171 WeakPolarHBondContact CE1-OD2 3.39Å; Y116-D171 VanDerWaalsContact OH-CB 3.25Å; Y116-D171 WeakPolarHBondContact OH-CB 3.38Å; Y116-D171 PolarHBondContact OH-OD2 2.82Å
117	L	98.9	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.7	171	-75.8	171	0	0	0	108.5	V86 Y88 V103 V139 Y142 A143 I146 A148 Q149 L150 F151	V86-L117 HydrophobicContact CB-CD2 4.13Å; V86-L117 HydrophobicContact CG1-CD2 4.37Å; Y88-L117 HydrophobicContact CE1-CB 4.43Å; V103-L117 HydrophobicContact CG2-CD2 4.35Å; L117-V139 HydrophobicContact CD1-CG1 4.37Å; L117-Y142 HydrophobicContact CD1-CD1 3.65Å; L117-Y142 HydrophobicContact CD1-CE1 3.95Å; L117-Y142 HydrophobicContact CD2-CE1 4.43Å; L117-A143 HydrophobicContact CD1-CB 3.86Å; L117-I146 HydrophobicContact CD1-CD1 3.91Å; L117-I146 HydrophobicContact CG-CD1 4.29Å; L117-A148 HydrophobicContact CD1-CB 4.24Å; L117-A148 HydrophobicContact CG-CB 4.17Å; L117-Q149 PolarHBondContact N-O 2.74Å; L117-L150 HydrophobicContact CB-CD1 4.01Å; L117-F151 PolarHBondContact O-N 2.77Å
118	C	98.9	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	102.1	-175.1	177.4	0	0	0	0	110.5	I85 V86 C87 Y88 F151 T153 L164	I85-C118 HydrophobicContact CG2-CB 3.73Å; V86-C118 PolarHBondContact O-N 2.62Å; C87-C118 VanDerWaalsContact CA-O 3.26Å; C87-C118 WeakPolarHBondContact CA-O 3.26Å; Y88-C118 PolarHBondContact N-O 2.9Å; C118-F151 CarbonylContact C-O 3.47Å; C118-F151 WeakPolarHBondContact CA-O 3.41Å; C118-T153 PolarHBondContact SG-OG1 2.92Å; C118-L164 HydrophobicContact CB-CD2 4.14Å
119	G	98.9	Very high	97.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.8	165.1	0	0	0	0	0	109.6	Y88 F151 E152 T153	Y88-G119 VanDerWaalsContact CE1-N 3.26Å; Y88-G119 CarbonylContact O-C 3.43Å; Y88-G119 WeakPolarHBondContact O-CA 3.31Å; G119-F151 PolarHBondContact N-O 2.81Å; G119-E152 CarbonylContact O-C 3.56Å; G119-E152 VanDerWaalsContact O-CA 3.27Å; G119-E152 WeakPolarHBondContact O-CA 3.39Å; G119-T153 PolarHBondContact O-N 3.15Å; G119-T153 PolarHBondContact O-OG1 2.88Å
120	T	98.9	Very high	97.4	Very high	1 Å²	1	56 Å²	56	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	165.9	-178	60.8	0	0	0	0	111.3	V18 C87 Y88 D89 L90 T153	V18-T120 VanDerWaalsContact O-CB 3.29Å; V18-T120 WeakPolarHBondContact O-CB 3.37Å; V18-T120 PolarHBondContact O-OG1 2.88Å; C87-T120 HydrophobicContact CB-CG2 4.1Å; Y88-T120 PolarHBondContact O-N 3.43Å; Y88-T120 PolarHBondContact O-OG1 3.21Å; Y88-T120 VanDerWaalsContact O-OG1 3.1Å; D89-T120 WeakPolarHBondContact CA-OG1 3.39Å; L90-T120 WeakPolarHBondContact CB-O 3.34Å; L90-T120 WeakPolarHBondContact CD1-O 3.13Å; L90-T120 VanDerWaalsContact CG-O 3.24Å; L90-T120 WeakPolarHBondContact CG-O 3.43Å; L90-T120 PolarHBondContact N-O 3.4Å; T120-T153 CarbonylContact C-O 3.47Å; T120-T153 WeakPolarHBondContact CA-O 3.32Å
121	K	98.3	Very high	97.6	Very high	57 Å²	57	59 Å²	59	25%	0.248	28%	0.278	C	S	.	.			trans	66.3	36.5	176.2	-44.8	-177.1	-168.7	172.9	0	113.1	Y17 D89 D123 L124 T153	Y17-K121 WeakPolarHBondContact O-CE 3.28Å; Y17-K121 PolarHBondContact O-NZ 2.98Å; D89-K121 WeakPolarHBondContact OD2-CD 3.42Å; D89-K121 WeakPolarHBondContact OD2-CE 3.45Å; D89-K121 IonicContact OD2-NZ 2.77Å; D89-K121 PolarHBondContact OD2-NZ 2.93Å; K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.31Å; K121-D123 VanDerWaalsContact O-N 3.16Å; K121-L124 HydrophobicContact CB-CD1 3.86Å; K121-L124 HydrophobicContact CB-CG 4.08Å; K121-L124 HydrophobicContact CD-CD1 4.03Å; K121-L124 WeakPolarHBondContact O-CB 3.27Å; K121-L124 PolarHBondContact O-N 2.81Å; K121-T153 PolarHBondContact N-O 3.28Å
122	S	98.6	Very high	97.8	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.049	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.6	176.1	57.1	0	0	0	0	113	L124 L125 E126 T153 S154 Q159	S122-L124 PolarHBondContact O-N 3.2Å; S122-L125 WeakPolarHBondContact O-CB 3.21Å; S122-L125 PolarHBondContact O-N 3.02Å; S122-E126 PolarHBondContact O-N 2.85Å; S122-E126 VanDerWaalsContact O-N 3.08Å; S122-T153 PolarHBondContact N-O 3.31Å; S122-T153 VanDerWaalsContact N-O 3.12Å; S122-T153 PolarHBondContact OG-O 3.12Å; S122-S154 VanDerWaalsContact OG-CB 3.28Å; S122-S154 WeakPolarHBondContact OG-CB 3.32Å; S122-S154 PolarHBondContact OG-N 3.25Å; S122-Q159 PolarHBondContact OG-OE1 3.25Å
123	D	98.5	Very high	98.1	Very high	13 Å²	13	59 Å²	59	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-33	173.3	57.9	-75.3	0	0	0	113	K121 L125 E126 E127 S154 K156 T157	K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.31Å; K121-D123 VanDerWaalsContact O-N 3.16Å; D123-L125 PolarHBondContact O-N 2.96Å; D123-E126 PolarHBondContact O-N 2.95Å; D123-E127 WeakPolarHBondContact O-CG 3.13Å; D123-E127 PolarHBondContact O-N 2.82Å; D123-S154 WeakPolarHBondContact CB-OG 3.24Å; D123-S154 VanDerWaalsContact CG-OG 3.24Å; D123-S154 WeakPolarHBondContact OD1-CB 3.44Å; D123-S154 PolarHBondContact OD1-OG 3.22Å; D123-K156 HydrophobicContact CB-CD 4.28Å; D123-K156 WeakPolarHBondContact OD2-CD 3.16Å; D123-K156 IonicContact OD2-NZ 3.21Å; D123-T157 HydrophobicContact CB-CG2 3.96Å
124	L	98.2	Very high	98.1	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-26.2	177.6	-57.7	-178	0	0	0	112.2	T91 K121 S122 D128 R131	T91-L124 HydrophobicContact CG2-CB 4.08Å; T91-L124 HydrophobicContact CG2-CD1 3.95Å; K121-L124 HydrophobicContact CB-CD1 3.86Å; K121-L124 HydrophobicContact CB-CG 4.08Å; K121-L124 HydrophobicContact CD-CD1 4.03Å; K121-L124 WeakPolarHBondContact O-CB 3.27Å; K121-L124 PolarHBondContact O-N 2.81Å; S122-L124 PolarHBondContact O-N 3.2Å; L124-D128 PolarHBondContact O-N 3.03Å; L124-R131 WeakPolarHBondContact O-CD 3.26Å
125	L	98	Very high	98.1	Very high	15 Å²	15	60 Å²	60	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-86.1	-29	177.8	-80.2	56.7	0	0	0	111.7	L90 T91 S122 D123 E127 D128 R129 R131 R132	L90-L125 HydrophobicContact CB-CD1 4.01Å; L90-L125 HydrophobicContact CB-CD2 3.98Å; L90-L125 HydrophobicContact CD1-CD2 4.06Å; T91-L125 HydrophobicContact CG2-CD1 3.65Å; S122-L125 WeakPolarHBondContact O-CB 3.21Å; S122-L125 PolarHBondContact O-N 3.02Å; D123-L125 PolarHBondContact O-N 2.96Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-D128 CarbonylContact O-C 3.37Å; L125-R129 WeakPolarHBondContact O-CA 3.48Å; L125-R129 WeakPolarHBondContact O-CG 3.22Å; L125-R129 PolarHBondContact O-N 2.85Å; L125-R129 VanDerWaalsContact O-N 3.11Å; L125-R131 HydrophobicContact CD1-CB 4.43Å; L125-R132 HydrophobicContact CD2-CB 3.83Å; L125-R132 HydrophobicContact CD2-CG 4.14Å; L125-R132 VanDerWaalsContact CD2-CZ 3.44Å; L125-R132 VanDerWaalsContact CD2-NE 3.31Å; L125-R132 HydrophobicContact CG-CB 4.02Å
126	E	96.1	Very high	98	Very high	120 Å²	120	64.7 Å²	64.7	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-41.1	167.6	-65.5	-178.7	167	0	0	110.7	S122 D123 Q159	S122-E126 PolarHBondContact O-N 2.85Å; S122-E126 VanDerWaalsContact O-N 3.08Å; D123-E126 PolarHBondContact O-N 2.95Å; E126-Q159 PolarHBondContact OE1-NE2 3.14Å; E126-Q159 PolarHBondContact OE1-OE1 2.57Å
127	E	96	Very high	98	Very high	111 Å²	111	70.1 Å²	70.1	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-47.6	172.7	-72.4	174.9	-170.4	0	0	112.3	D123 L125 R131 K156	D123-E127 WeakPolarHBondContact O-CG 3.13Å; D123-E127 PolarHBondContact O-N 2.82Å; L125-E127 VanDerWaalsContact C-N 3.34Å; E127-R131 IonicContact OE2-CZ 3.61Å; E127-R131 IonicContact OE2-NH1 2.74Å; E127-R131 PolarHBondContact OE2-NH1 3.12Å; E127-K156 IonicContact OE1-NZ 3.28Å; E127-K156 PolarHBondContact OE1-NZ 3.21Å
128	D	97.8	Very high	97.9	Very high	42 Å²	42	75 Å²	75	23%	0.225	33%	0.326	C	S	.	.			trans	-153.1	105.3	177.7	-176.6	-3.7	0	0	0	111.7	L124 L125 R130 R131	L124-D128 PolarHBondContact O-N 3.03Å; L125-D128 CarbonylContact O-C 3.37Å; D128-R130 PolarHBondContact O-N 2.86Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.13Å; D128-R130 WeakPolarHBondContact OD1-CG 3.3Å; D128-R130 IonicContact OD1-CZ 2.86Å; D128-R130 PolarHBondContact OD1-N 3.4Å; D128-R130 IonicContact OD1-NE 3.22Å; D128-R130 PolarHBondContact OD1-NE 2.6Å; D128-R130 IonicContact OD1-NH2 2.77Å; D128-R130 IonicContact OD2-CZ 2.88Å; D128-R130 IonicContact OD2-NE 3.56Å; D128-R130 PolarHBondContact OD2-NE 2.98Å; D128-R130 IonicContact OD2-NH2 3.66Å; D128-R130 PolarHBondContact OD2-NH2 2.86Å; D128-R131 HydrophobicContact CB-CG 4.09Å; D128-R131 VanDerWaalsContact O-CB 3.3Å; D128-R131 WeakPolarHBondContact O-CB 3.48Å; D128-R131 PolarHBondContact O-N 2.92Å
129	R	96.8	Very high	97.9	Very high	220 Å²	220	75 Å²	75	83%	0.83	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-55.1	-25.3	179.6	-71.7	-173.8	169.9	-168.7	-3.6	114.1	L125 R131 R132	L125-R129 WeakPolarHBondContact O-CA 3.48Å; L125-R129 WeakPolarHBondContact O-CG 3.22Å; L125-R129 PolarHBondContact O-N 2.85Å; L125-R129 VanDerWaalsContact O-N 3.11Å; R129-R131 PolarHBondContact O-N 3.43Å; R129-R132 PolarHBondContact O-N 3.36Å
130	R	97.6	Very high	97.9	Very high	198 Å²	198	77.7 Å²	77.7	75%	0.747	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.7	178.4	-58.3	169.3	-63.9	-179.5	5.3	112.9	D128 R132	D128-R130 PolarHBondContact O-N 2.86Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.13Å; D128-R130 WeakPolarHBondContact OD1-CG 3.3Å; D128-R130 IonicContact OD1-CZ 2.86Å; D128-R130 PolarHBondContact OD1-N 3.4Å; D128-R130 IonicContact OD1-NE 3.22Å; D128-R130 PolarHBondContact OD1-NE 2.6Å; D128-R130 IonicContact OD1-NH2 2.77Å; D128-R130 IonicContact OD2-CZ 2.88Å; D128-R130 IonicContact OD2-NE 3.56Å; D128-R130 PolarHBondContact OD2-NE 2.98Å; D128-R130 IonicContact OD2-NH2 3.66Å; D128-R130 PolarHBondContact OD2-NH2 2.86Å; R130-R132 VanDerWaalsContact C-N 3.28Å
131	R	98.2	Very high	97.9	Very high	103 Å²	103	81.5 Å²	81.5	39%	0.389	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.5	173.6	-68	-175.9	177.6	171.6	2.2	113	T91 L124 L125 E127 D128 R129 R133	T91-R131 WeakPolarHBondContact CA-O 3.49Å; T91-R131 HydrophobicContact CG2-CB 4.07Å; L124-R131 WeakPolarHBondContact O-CD 3.26Å; L125-R131 HydrophobicContact CD1-CB 4.43Å; E127-R131 IonicContact OE2-CZ 3.61Å; E127-R131 IonicContact OE2-NH1 2.74Å; E127-R131 PolarHBondContact OE2-NH1 3.12Å; D128-R131 HydrophobicContact CB-CG 4.09Å; D128-R131 VanDerWaalsContact O-CB 3.3Å; D128-R131 WeakPolarHBondContact O-CB 3.48Å; D128-R131 PolarHBondContact O-N 2.92Å; R129-R131 PolarHBondContact O-N 3.43Å; R131-R133 PolarHBondContact O-N 2.79Å
132	R	98.5	Very high	97.9	Very high	70 Å²	70	80.3 Å²	80.3	26%	0.264	35%	0.353	S	S	.	.			trans	-59.3	125.1	175.2	-178.5	172.9	-76.2	-90.9	2.3	109.9	L125 R129 R130 V134 E152	L125-R132 HydrophobicContact CD2-CB 3.83Å; L125-R132 HydrophobicContact CD2-CG 4.14Å; L125-R132 VanDerWaalsContact CD2-CZ 3.44Å; L125-R132 VanDerWaalsContact CD2-NE 3.31Å; L125-R132 HydrophobicContact CG-CB 4.02Å; R129-R132 PolarHBondContact O-N 3.36Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R132-V134 VanDerWaalsContact CD-O 3.22Å; R132-V134 WeakPolarHBondContact CD-O 3.4Å; R132-V134 WeakPolarHBondContact CG-O 3.34Å; R132-V134 PolarHBondContact NH1-O 3.3Å; R132-E152 IonicContact CZ-OE1 2.65Å; R132-E152 VanDerWaalsContact CZ-OE1 3.22Å; R132-E152 IonicContact CZ-OE2 3.88Å; R132-E152 IonicContact NH1-OE1 2.76Å; R132-E152 PolarHBondContact NH1-OE1 2.78Å; R132-E152 IonicContact NH2-OE1 3.85Å; R132-E152 PolarHBondContact NH2-OE1 3Å; R132-E152 IonicContact NH2-OE2 2.96Å; R132-E152 PolarHBondContact NH2-OE2 3.32Å
133	R	98.5	Very high	97.9	Very high	172 Å²	172	80 Å²	80	65%	0.649	35%	0.351	S	S	*	.			trans	-116.8	-5.8	174.1	-60.2	-55.6	-176	175.1	-0.6	113.3	L90 T91 R131	L90-R133 PolarHBondContact O-N 3.11Å; T91-R133 WeakPolarHBondContact O-CB 3.32Å; T91-R133 WeakPolarHBondContact O-CG 3.25Å; R131-R133 PolarHBondContact O-N 2.79Å
134	V	98.2	Very high	97.9	Very high	6 Å²	6	84.1 Å²	84.1	4%	0.036	37%	0.373	C	S	.	.	S	Bend	trans	-118.2	116.4	176.8	-171.8	0	0	0	0	108.6	Y88 L90 F96 R132 V139	Y88-V134 HydrophobicContact CD2-CB 4.47Å; Y88-V134 HydrophobicContact CD2-CG1 4.21Å; Y88-V134 HydrophobicContact CD2-CG2 4.19Å; Y88-V134 HydrophobicContact CE2-CB 4.18Å; Y88-V134 HydrophobicContact CE2-CG1 3.81Å; Y88-V134 HydrophobicContact CE2-CG2 4.4Å; L90-V134 PolarHBondContact O-N 3.3Å; F96-V134 HydrophobicContact CB-CG1 4.08Å; F96-V134 HydrophobicContact CB-CG2 4.05Å; F96-V134 HydrophobicContact CD1-CG1 3.91Å; F96-V134 HydrophobicContact CE1-CG1 4.48Å; F96-V134 HydrophobicContact CG-CG1 3.92Å; R132-V134 VanDerWaalsContact CD-O 3.22Å; R132-V134 WeakPolarHBondContact CD-O 3.4Å; R132-V134 WeakPolarHBondContact CG-O 3.34Å; R132-V134 PolarHBondContact NH1-O 3.3Å; V134-V139 HydrophobicContact CG1-CG2 3.28Å
135	D	97.6	Very high	97.9	Very high	84 Å²	84	88.4 Å²	88.4	45%	0.449	40%	0.396	S	S	.	.			trans	-67.9	135.9	178.5	-172.5	-88.7	0	0	0	110.8	H137 D138 V139	D135-H137 WeakPolarHBondContact OD1-CA 3.21Å; D135-H137 WeakPolarHBondContact OD1-CB 3.39Å; D135-H137 PolarHBondContact OD1-N 3.04Å; D135-D138 HydrophobicContact CB-CB 4.15Å; D135-D138 PolarHBondContact OD1-N 2.98Å; D135-V139 VanDerWaalsContact O-CG2 3.32Å; D135-V139 WeakPolarHBondContact O-CG2 3.3Å; D135-V139 PolarHBondContact O-N 3.27Å
136	F	97.4	Very high	97.9	Very high	98 Å²	98	88.9 Å²	88.9	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-69	-37.1	-176.4	178	-93.1	0	0	0	112	V139 Q140 L150	F136-V139 PolarHBondContact O-N 3.17Å; F136-Q140 HydrophobicContact CE1-CB 4.38Å; F136-Q140 WeakPolarHBondContact O-CB 3.42Å; F136-Q140 PolarHBondContact O-N 3.1Å; F136-L150 HydrophobicContact CD2-CD2 4.2Å; F136-L150 HydrophobicContact CE2-CD2 3.62Å; F136-L150 HydrophobicContact CE2-CG 4.35Å; F136-L150 HydrophobicContact CZ-CD2 3.95Å
137	H	97.9	Very high	98	Very high	115 Å²	115	91.3 Å²	91.3	53%	0.532	41%	0.407	S	S	.	.	H	α-helix	trans	-68	-43	-179.5	-173.4	27	0	0	0	110.8	D135 V139 Q140 D141	D135-H137 WeakPolarHBondContact OD1-CA 3.21Å; D135-H137 WeakPolarHBondContact OD1-CB 3.39Å; D135-H137 PolarHBondContact OD1-N 3.04Å; H137-V139 PolarHBondContact O-N 2.99Å; H137-Q140 PolarHBondContact O-N 2.79Å; H137-Q140 VanDerWaalsContact O-N 3.15Å; H137-D141 IonicContact CE1-OD1 3.35Å; H137-D141 PolarHBondContact CE1-OD1 3.36Å; H137-D141 IonicContact CE1-OD2 3.15Å; H137-D141 PolarHBondContact CE1-OD2 3.35Å; H137-D141 IonicContact ND1-OD1 2.69Å; H137-D141 PolarHBondContact ND1-OD1 3.32Å; H137-D141 VanDerWaalsContact ND1-OD1 3.13Å; H137-D141 IonicContact ND1-OD2 2.75Å; H137-D141 IonicContact NE2-OD2 2.71Å; H137-D141 WeakPolarHBondContact O-CB 3.38Å; H137-D141 PolarHBondContact O-N 3.28Å
138	D	97.9	Very high	98.1	Very high	102 Å²	102	86.5 Å²	86.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-57.9	-37.9	174.9	-72.4	-15.5	0	0	0	112.1	D135 Y142	D135-D138 HydrophobicContact CB-CB 4.15Å; D135-D138 PolarHBondContact OD1-N 2.98Å; D138-Y142 WeakPolarHBondContact O-CB 3.35Å; D138-Y142 PolarHBondContact O-N 3.44Å
139	V	98.5	Very high	98.1	Very high	0 Å²	0	87 Å²	87	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-74.6	-40.4	177.1	-175	0	0	0	0	111.4	Y88 F96 L117 V134 D135 F136 H137 Y142 A143 L150	Y88-V139 HydrophobicContact CE1-CG1 4.09Å; Y88-V139 HydrophobicContact CE2-CG2 4.11Å; Y88-V139 WeakPolarHBondContact OH-CG1 3.41Å; F96-V139 HydrophobicContact CD1-CG2 4.37Å; F96-V139 HydrophobicContact CD2-CG2 4.2Å; F96-V139 HydrophobicContact CE1-CG2 3.93Å; F96-V139 HydrophobicContact CE2-CB 4.28Å; F96-V139 HydrophobicContact CE2-CG1 3.82Å; F96-V139 HydrophobicContact CE2-CG2 3.79Å; F96-V139 HydrophobicContact CG-CG2 4.5Å; F96-V139 HydrophobicContact CZ-CB 4.09Å; F96-V139 HydrophobicContact CZ-CG1 4.05Å; F96-V139 HydrophobicContact CZ-CG2 3.64Å; L117-V139 HydrophobicContact CD1-CG1 4.37Å; V134-V139 HydrophobicContact CG1-CG2 3.28Å; D135-V139 VanDerWaalsContact O-CG2 3.32Å; D135-V139 WeakPolarHBondContact O-CG2 3.3Å; D135-V139 PolarHBondContact O-N 3.27Å; F136-V139 PolarHBondContact O-N 3.17Å; H137-V139 PolarHBondContact O-N 2.99Å; V139-Y142 PolarHBondContact O-N 3.44Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 3.02Å; V139-L150 HydrophobicContact CB-CD2 4.28Å; V139-L150 HydrophobicContact CG1-CD1 3.51Å; V139-L150 HydrophobicContact CG1-CD2 3.97Å; V139-L150 HydrophobicContact CG1-CG 4.4Å
140	Q	98.6	Very high	98.2	Very high	58 Å²	58	78 Å²	78	27%	0.271	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177.8	-174.1	62.8	64.8	0	0	110.9	F136 H137 Y142 A143 D144 L150	F136-Q140 HydrophobicContact CE1-CB 4.38Å; F136-Q140 WeakPolarHBondContact O-CB 3.42Å; F136-Q140 PolarHBondContact O-N 3.1Å; H137-Q140 PolarHBondContact O-N 2.79Å; H137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-Y142 VanDerWaalsContact C-N 3.28Å; Q140-Y142 PolarHBondContact O-N 2.8Å; Q140-A143 WeakPolarHBondContact O-CB 3.46Å; Q140-A143 PolarHBondContact O-N 2.77Å; Q140-A143 VanDerWaalsContact O-N 3.12Å; Q140-D144 PolarHBondContact NE2-OD1 3.3Å; Q140-D144 VanDerWaalsContact O-CG 3.29Å; Q140-D144 PolarHBondContact O-N 2.67Å; Q140-L150 HydrophobicContact CB-CD2 4.18Å
141	D	98.6	Very high	98.3	Very high	81 Å²	81	70.1 Å²	70.1	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-41	176.6	-72.9	3.7	0	0	0	111.2	H137 N145	H137-D141 IonicContact CE1-OD1 3.35Å; H137-D141 PolarHBondContact CE1-OD1 3.36Å; H137-D141 IonicContact CE1-OD2 3.15Å; H137-D141 PolarHBondContact CE1-OD2 3.35Å; H137-D141 IonicContact ND1-OD1 2.69Å; H137-D141 PolarHBondContact ND1-OD1 3.32Å; H137-D141 VanDerWaalsContact ND1-OD1 3.13Å; H137-D141 IonicContact ND1-OD2 2.75Å; H137-D141 IonicContact NE2-OD2 2.71Å; H137-D141 WeakPolarHBondContact O-CB 3.38Å; H137-D141 PolarHBondContact O-N 3.28Å; D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 2.86Å; D141-N145 VanDerWaalsContact O-N 3.11Å
142	Y	98.7	Very high	98.3	Very high	32 Å²	32	67.4 Å²	67.4	13%	0.125	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-44	174.7	-179.4	-111.2	0	0	0	112.1	F96 K100 V103 L117 D138 V139 Q140 N145 I146	F96-Y142 AromaticContact CE2-CD1 3.98Å; F96-Y142 HydrophobicContact CE2-CD1 3.98Å; F96-Y142 AromaticContact CZ-CD1 3.79Å; F96-Y142 HydrophobicContact CZ-CD1 3.79Å; F96-Y142 HydrophobicContact CZ-CG 4.12Å; K100-Y142 WeakPolarHBondContact CA-OH 3.15Å; K100-Y142 HydrophobicContact CD-CE2 4.45Å; K100-Y142 HydrophobicContact CG-CD1 4.34Å; K100-Y142 HydrophobicContact CG-CE1 3.81Å; K100-Y142 HydrophobicContact CG-CE2 4.02Å; V103-Y142 WeakPolarHBondContact CB-OH 3.37Å; V103-Y142 WeakPolarHBondContact CG1-OH 3.33Å; V103-Y142 HydrophobicContact CG2-CE1 4.48Å; L117-Y142 HydrophobicContact CD1-CD1 3.65Å; L117-Y142 HydrophobicContact CD1-CE1 3.95Å; L117-Y142 HydrophobicContact CD2-CE1 4.43Å; D138-Y142 WeakPolarHBondContact O-CB 3.35Å; D138-Y142 PolarHBondContact O-N 3.44Å; V139-Y142 PolarHBondContact O-N 3.44Å; Q140-Y142 VanDerWaalsContact C-N 3.28Å; Q140-Y142 PolarHBondContact O-N 2.8Å; Y142-N145 PolarHBondContact O-N 3.1Å; Y142-I146 HydrophobicContact CD1-CD1 4.31Å; Y142-I146 HydrophobicContact CD2-CG2 4.28Å; Y142-I146 HydrophobicContact CE1-CD1 3.71Å; Y142-I146 HydrophobicContact CE1-CG1 4.46Å; Y142-I146 HydrophobicContact CE1-CG2 4.39Å; Y142-I146 HydrophobicContact CE2-CG2 3.7Å; Y142-I146 WeakPolarHBondContact O-CG1 3.44Å; Y142-I146 PolarHBondContact O-N 3.4Å; Y142-I146 VanDerWaalsContact O-N 3.08Å
143	A	98.8	Very high	98.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-46.5	178.8	0	0	0	0	0	111.2	L117 V139 Q140 N145 I146 K147 A148 L150	L117-A143 HydrophobicContact CD1-CB 3.86Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 3.02Å; Q140-A143 WeakPolarHBondContact O-CB 3.46Å; Q140-A143 PolarHBondContact O-N 2.77Å; Q140-A143 VanDerWaalsContact O-N 3.12Å; A143-N145 PolarHBondContact O-N 2.77Å; A143-I146 CarbonylContact O-C 3.54Å; A143-I146 WeakPolarHBondContact O-CG1 3.29Å; A143-I146 PolarHBondContact O-N 3.24Å; A143-K147 PolarHBondContact O-N 2.84Å; A143-A148 HydrophobicContact CB-CB 4.46Å; A143-A148 PolarHBondContact O-N 3.46Å; A143-L150 HydrophobicContact CB-CB 4.27Å
144	D	98.5	Very high	98.3	Very high	99 Å²	99	55.9 Å²	55.9	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-45.2	177.9	-68.2	-10.8	0	0	0	111	Q140 I146 K147	Q140-D144 PolarHBondContact NE2-OD1 3.3Å; Q140-D144 VanDerWaalsContact O-CG 3.29Å; Q140-D144 PolarHBondContact O-N 2.67Å; D144-I146 VanDerWaalsContact C-N 3.33Å; D144-I146 PolarHBondContact O-N 3.3Å; D144-K147 PolarHBondContact O-N 3.29Å; D144-K147 VanDerWaalsContact O-N 3.17Å
145	N	98.2	Very high	98.3	Very high	131 Å²	131	56 Å²	56	70%	0.701	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-39.8	177.8	-177.8	35.2	0	0	0	112.8	D141 Y142 A143	D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 2.86Å; D141-N145 VanDerWaalsContact O-N 3.11Å; Y142-N145 PolarHBondContact O-N 3.1Å; A143-N145 PolarHBondContact O-N 2.77Å
146	I	97.4	Very high	98.3	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.128	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.6	179.6	71.1	166.5	0	0	0	113.9	V103 R107 I115 L117 Y142 A143 D144 A148	V103-I146 HydrophobicContact CB-CD1 4.39Å; V103-I146 HydrophobicContact CG1-CB 4.39Å; V103-I146 HydrophobicContact CG1-CD1 3.68Å; V103-I146 HydrophobicContact CG1-CG2 4.25Å; V103-I146 HydrophobicContact CG2-CD1 3.83Å; R107-I146 PolarHBondContact NH2-O 2.63Å; I115-I146 HydrophobicContact CG2-CD1 4.25Å; L117-I146 HydrophobicContact CD1-CD1 3.91Å; L117-I146 HydrophobicContact CG-CD1 4.29Å; Y142-I146 HydrophobicContact CD1-CD1 4.31Å; Y142-I146 HydrophobicContact CD2-CG2 4.28Å; Y142-I146 HydrophobicContact CE1-CD1 3.71Å; Y142-I146 HydrophobicContact CE1-CG1 4.46Å; Y142-I146 HydrophobicContact CE1-CG2 4.39Å; Y142-I146 HydrophobicContact CE2-CG2 3.7Å; Y142-I146 WeakPolarHBondContact O-CG1 3.44Å; Y142-I146 PolarHBondContact O-N 3.4Å; Y142-I146 VanDerWaalsContact O-N 3.08Å; A143-I146 CarbonylContact O-C 3.54Å; A143-I146 WeakPolarHBondContact O-CG1 3.29Å; A143-I146 PolarHBondContact O-N 3.24Å; D144-I146 VanDerWaalsContact C-N 3.33Å; D144-I146 PolarHBondContact O-N 3.3Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 HydrophobicContact CD1-CB 3.63Å; I146-A148 HydrophobicContact CG1-CB 3.59Å; I146-A148 PolarHBondContact O-N 3.38Å
147	K	97.7	Very high	98.4	Very high	171 Å²	171	55.5 Å²	55.5	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	41.1	-174.2	-54.8	176.8	-177.1	175.8	0	112.8	Q114 A143 D144	Q114-K147 PolarHBondContact NE2-O 3.13Å; A143-K147 PolarHBondContact O-N 2.84Å; D144-K147 PolarHBondContact O-N 3.29Å; D144-K147 VanDerWaalsContact O-N 3.17Å
148	A	98.5	Very high	98.4	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	26%	0.262	C	S	.	.			trans	-96.7	154.5	174	0	0	0	0	0	110.9	I115 L117 A143 I146	I115-A148 HydrophobicContact CB-CB 3.95Å; I115-A148 HydrophobicContact CG2-CB 3.79Å; I115-A148 VanDerWaalsContact O-CA 3.23Å; I115-A148 WeakPolarHBondContact O-CA 3.44Å; I115-A148 WeakPolarHBondContact O-CB 3.3Å; L117-A148 HydrophobicContact CD1-CB 4.24Å; L117-A148 HydrophobicContact CG-CB 4.17Å; A143-A148 HydrophobicContact CB-CB 4.46Å; A143-A148 PolarHBondContact O-N 3.46Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 HydrophobicContact CD1-CB 3.63Å; I146-A148 HydrophobicContact CG1-CB 3.59Å; I146-A148 PolarHBondContact O-N 3.38Å
149	Q	98.5	Very high	98.4	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.248	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	145.4	166.6	-67.9	179.1	51.9	0	0	110	I115 Y116 L117 F151 K167 D171	I115-Q149 PolarHBondContact O-N 3.16Å; I115-Q149 VanDerWaalsContact O-N 3.11Å; Y116-Q149 CarbonylContact C-O 3.47Å; Y116-Q149 WeakPolarHBondContact CA-O 3.49Å; Y116-Q149 HydrophobicContact CD1-CB 3.93Å; Y116-Q149 HydrophobicContact CE1-CB 4.26Å; Y116-Q149 HydrophobicContact CE1-CG 4.49Å; L117-Q149 PolarHBondContact N-O 2.74Å; Q149-F151 HydrophobicContact CB-CE2 3.92Å; Q149-K167 VanDerWaalsContact OE1-CG 3.24Å; Q149-D171 PolarHBondContact NE2-OD2 3.17Å
150	L	98.7	Very high	98.4	Very high	30 Å²	30	51.2 Å²	51.2	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	-176.5	-179.5	57	0	0	0	111.1	Y88 L117 F136 V139 Q140 A143	Y88-L150 HydrophobicContact CE1-CD1 4.48Å; L117-L150 HydrophobicContact CB-CD1 4.01Å; F136-L150 HydrophobicContact CD2-CD2 4.2Å; F136-L150 HydrophobicContact CE2-CD2 3.62Å; F136-L150 HydrophobicContact CE2-CG 4.35Å; F136-L150 HydrophobicContact CZ-CD2 3.95Å; V139-L150 HydrophobicContact CB-CD2 4.28Å; V139-L150 HydrophobicContact CG1-CD1 3.51Å; V139-L150 HydrophobicContact CG1-CD2 3.97Å; V139-L150 HydrophobicContact CG1-CG 4.4Å; Q140-L150 HydrophobicContact CB-CD2 4.18Å; A143-L150 HydrophobicContact CB-CB 4.27Å
151	F	98.8	Very high	98.4	Very high	34 Å²	34	48.5 Å²	48.5	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.4	174.1	-70.1	-98.7	0	0	0	110	Y116 L117 C118 G119 Q149 T153 L164 K167	Y116-F151 AromaticContact CD1-CE2 3.97Å; Y116-F151 HydrophobicContact CD1-CE2 3.97Å; L117-F151 PolarHBondContact O-N 2.77Å; C118-F151 CarbonylContact C-O 3.47Å; C118-F151 WeakPolarHBondContact CA-O 3.41Å; G119-F151 PolarHBondContact N-O 2.81Å; Q149-F151 HydrophobicContact CB-CE2 3.92Å; F151-T153 HydrophobicContact CB-CG2 4.35Å; F151-L164 HydrophobicContact CB-CD1 4.27Å; F151-L164 HydrophobicContact CD1-CB 4Å; F151-L164 HydrophobicContact CD1-CD1 4.31Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.33Å; F151-L164 HydrophobicContact CE2-CD1 3.96Å; F151-L164 HydrophobicContact CG-CB 4.22Å; F151-L164 HydrophobicContact CG-CD1 3.78Å; F151-L164 HydrophobicContact CZ-CD1 4.47Å; F151-K167 HydrophobicContact CE2-CG 4.46Å; F151-K167 HydrophobicContact CZ-CB 3.89Å; F151-K167 HydrophobicContact CZ-CG 3.91Å
152	E	98.7	Very high	98.4	Very high	46 Å²	46	49.5 Å²	49.5	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.4	161.2	-65.5	-166.6	163.2	0	0	108.5	L90 G119 R132 S160	L90-E152 HydrophobicContact CD1-CB 4.14Å; L90-E152 HydrophobicContact CD1-CG 4.12Å; L90-E152 HydrophobicContact CD2-CG 4.01Å; L90-E152 WeakPolarHBondContact CD2-OE1 3.34Å; G119-E152 CarbonylContact O-C 3.56Å; G119-E152 VanDerWaalsContact O-CA 3.27Å; G119-E152 WeakPolarHBondContact O-CA 3.39Å; R132-E152 IonicContact CZ-OE1 2.65Å; R132-E152 VanDerWaalsContact CZ-OE1 3.22Å; R132-E152 IonicContact CZ-OE2 3.88Å; R132-E152 IonicContact NH1-OE1 2.76Å; R132-E152 PolarHBondContact NH1-OE1 2.78Å; R132-E152 IonicContact NH2-OE1 3.85Å; R132-E152 PolarHBondContact NH2-OE1 3Å; R132-E152 IonicContact NH2-OE2 2.96Å; R132-E152 PolarHBondContact NH2-OE2 3.32Å; E152-S160 WeakPolarHBondContact O-CB 3.35Å
153	T	98.8	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.5	-172.1	64.9	0	0	0	0	111.7	C118 G119 T120 K121 S122 F151 Q159 L164	C118-T153 PolarHBondContact SG-OG1 2.92Å; G119-T153 PolarHBondContact O-N 3.15Å; G119-T153 PolarHBondContact O-OG1 2.88Å; T120-T153 CarbonylContact C-O 3.47Å; T120-T153 WeakPolarHBondContact CA-O 3.32Å; K121-T153 PolarHBondContact N-O 3.28Å; S122-T153 PolarHBondContact N-O 3.31Å; S122-T153 VanDerWaalsContact N-O 3.12Å; S122-T153 PolarHBondContact OG-O 3.12Å; F151-T153 HydrophobicContact CB-CG2 4.35Å; T153-Q159 WeakPolarHBondContact CA-O 3.04Å; T153-Q159 WeakPolarHBondContact CB-O 3.5Å; T153-L164 HydrophobicContact CG2-CD2 4.22Å
154	S	98.7	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.			trans	-124.8	115.9	164.2	174.7	0	0	0	0	110	S122 D123 K156 T157 G158 Q159	S122-S154 VanDerWaalsContact OG-CB 3.28Å; S122-S154 WeakPolarHBondContact OG-CB 3.32Å; S122-S154 PolarHBondContact OG-N 3.25Å; D123-S154 WeakPolarHBondContact CB-OG 3.24Å; D123-S154 VanDerWaalsContact CG-OG 3.24Å; D123-S154 WeakPolarHBondContact OD1-CB 3.44Å; D123-S154 PolarHBondContact OD1-OG 3.22Å; S154-K156 PolarHBondContact O-N 3.26Å; S154-K156 WeakPolarHBondContact OG-CB 3.46Å; S154-K156 PolarHBondContact OG-N 2.84Å; S154-K156 VanDerWaalsContact OG-N 3.15Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 3.02Å; S154-T157 VanDerWaalsContact OG-N 3.15Å; S154-T157 PolarHBondContact OG-OG1 3.32Å; S154-G158 CarbonylContact O-C 3.59Å; S154-G158 VanDerWaalsContact O-CA 3.26Å; S154-G158 WeakPolarHBondContact O-CA 3.5Å; S154-G158 PolarHBondContact O-N 2.92Å; S154-Q159 PolarHBondContact N-O 3.41Å; S154-Q159 VanDerWaalsContact N-O 3.12Å; S154-Q159 PolarHBondContact O-N 2.64Å
155	S	98.5	Very high	98.4	Very high	7 Å²	7	49 Å²	49	5%	0.049	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.2	169.6	-44.2	0	0	0	0	112.4	S22 L23 R26 F32	S22-S155 WeakPolarHBondContact O-CB 3.33Å; L23-S155 VanDerWaalsContact CA-OG 3.3Å; L23-S155 WeakPolarHBondContact CA-OG 3.32Å; L23-S155 PolarHBondContact N-OG 3.09Å; R26-S155 PolarHBondContact NE-O 2.95Å; R26-S155 PolarHBondContact NH2-O 2.9Å; F32-S155 WeakPolarHBondContact CD2-O 3.26Å
156	K	98	Very high	98.4	Very high	91 Å²	91	45.7 Å²	45.7	40%	0.396	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-50.6	178.9	-174.6	-172.1	-179.6	-174.9	0	110.2	R26 F32 D123 E127 S154	R26-K156 PolarHBondContact NH2-O 3.24Å; F32-K156 HydrophobicContact CD1-CB 4.43Å; F32-K156 HydrophobicContact CD1-CG 4.27Å; F32-K156 HydrophobicContact CD2-CB 4.3Å; F32-K156 HydrophobicContact CE1-CB 4.38Å; F32-K156 HydrophobicContact CE1-CG 4.26Å; F32-K156 HydrophobicContact CE2-CB 4.24Å; F32-K156 HydrophobicContact CG-CB 4.38Å; F32-K156 HydrophobicContact CZ-CB 4.28Å; D123-K156 HydrophobicContact CB-CD 4.28Å; D123-K156 WeakPolarHBondContact OD2-CD 3.16Å; D123-K156 IonicContact OD2-NZ 3.21Å; E127-K156 IonicContact OE1-NZ 3.28Å; E127-K156 PolarHBondContact OE1-NZ 3.21Å; S154-K156 PolarHBondContact O-N 3.26Å; S154-K156 WeakPolarHBondContact OG-CB 3.46Å; S154-K156 PolarHBondContact OG-N 2.84Å; S154-K156 VanDerWaalsContact OG-N 3.15Å
157	T	97.9	Very high	98.5	Very high	81 Å²	81	47.6 Å²	47.6	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-20.3	-177.2	65.6	0	0	0	0	113.7	D123 S154 Q159	D123-T157 HydrophobicContact CB-CG2 3.96Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.45Å; S154-T157 PolarHBondContact OG-N 3.02Å; S154-T157 VanDerWaalsContact OG-N 3.15Å; S154-T157 PolarHBondContact OG-OG1 3.32Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.33Å; T157-Q159 PolarHBondContact OG1-N 3.02Å
158	G	98.4	Very high	98.5	Very high	24 Å²	24	39.5 Å²	39.5	25%	0.247	20%	0.204	C	C	.	.			trans	90.1	-2.8	-173.1	0	0	0	0	0	114	S154 S160 V161	S154-G158 CarbonylContact O-C 3.59Å; S154-G158 VanDerWaalsContact O-CA 3.26Å; S154-G158 WeakPolarHBondContact O-CA 3.5Å; S154-G158 PolarHBondContact O-N 2.92Å; G158-S160 PolarHBondContact O-N 2.63Å; G158-V161 PolarHBondContact O-N 2.84Å
159	Q	98.6	Very high	98.5	Very high	72 Å²	72	39 Å²	39	34%	0.336	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.5	-178.3	-177	-177.7	34.5	0	0	111.9	S122 E126 T153 S154 T157 V161	S122-Q159 PolarHBondContact OG-OE1 3.25Å; E126-Q159 PolarHBondContact OE1-NE2 3.14Å; E126-Q159 PolarHBondContact OE1-OE1 2.57Å; T153-Q159 WeakPolarHBondContact CA-O 3.04Å; T153-Q159 WeakPolarHBondContact CB-O 3.5Å; S154-Q159 PolarHBondContact N-O 3.41Å; S154-Q159 VanDerWaalsContact N-O 3.12Å; S154-Q159 PolarHBondContact O-N 2.64Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.33Å; T157-Q159 PolarHBondContact OG1-N 3.02Å; Q159-V161 PolarHBondContact O-N 3.31Å
160	S	98.5	Very high	98.4	Very high	32 Å²	32	40 Å²	40	22%	0.224	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	12.5	177.3	-61.6	0	0	0	0	116.3	E152 G158 E163 L164	E152-S160 WeakPolarHBondContact O-CB 3.35Å; G158-S160 PolarHBondContact O-N 2.63Å; S160-E163 WeakPolarHBondContact CA-OE2 3.28Å; S160-E163 WeakPolarHBondContact CB-OE2 3.47Å; S160-E163 PolarHBondContact OG-OE2 3.44Å; S160-L164 WeakPolarHBondContact O-CB 3.37Å; S160-L164 PolarHBondContact O-N 3.41Å; S160-L164 VanDerWaalsContact O-N 3.1Å
161	V	98.8	Very high	98.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-52.5	178.2	177.4	0	0	0	0	110.5	L23 R26 Y27 G158 Q159 E163 L164 F165	L23-V161 HydrophobicContact CD1-CB 4.23Å; L23-V161 HydrophobicContact CD1-CG1 3.82Å; L23-V161 HydrophobicContact CD1-CG2 3.62Å; R26-V161 HydrophobicContact CB-CG1 4.47Å; R26-V161 HydrophobicContact CG-CB 4.24Å; R26-V161 HydrophobicContact CG-CG1 4.01Å; R26-V161 HydrophobicContact CG-CG2 4.02Å; Y27-V161 HydrophobicContact CD2-CG1 4.38Å; Y27-V161 HydrophobicContact CG-CG1 4.5Å; G158-V161 PolarHBondContact O-N 2.84Å; Q159-V161 PolarHBondContact O-N 3.31Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 2.67Å; V161-L164 PolarHBondContact O-N 2.8Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.5Å; V161-F165 PolarHBondContact O-N 3.02Å
162	D	98.3	Very high	98.2	Very high	101 Å²	101	41 Å²	41	54%	0.54	21%	0.208	S	C	.	.	H	α-helix	trans	-64.2	-38.3	178.7	-70.8	-38.2	0	0	0	111.7	Y27 L164 F165 Q166	Y27-D162 VanDerWaalsContact CD2-OD1 3.32Å; Y27-D162 WeakPolarHBondContact CD2-OD1 3.49Å; D162-L164 PolarHBondContact O-N 2.54Å; D162-F165 PolarHBondContact O-N 2.88Å; D162-Q166 WeakPolarHBondContact O-CB 3.39Å; D162-Q166 PolarHBondContact O-N 3.18Å
163	E	98.6	Very high	98	Very high	121 Å²	121	39.6 Å²	39.6	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-58.5	-45	177.1	-63.8	172.5	168.6	0	0	111.8	S160 V161 K167	S160-E163 WeakPolarHBondContact CA-OE2 3.28Å; S160-E163 WeakPolarHBondContact CB-OE2 3.47Å; S160-E163 PolarHBondContact OG-OE2 3.44Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 2.67Å; E163-K167 VanDerWaalsContact O-CB 3.3Å; E163-K167 WeakPolarHBondContact O-CB 3.2Å; E163-K167 PolarHBondContact O-N 3.12Å
164	L	98.8	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-51.3	177.1	169.5	62.1	0	0	0	111.9	L23 I85 Y116 C118 F151 T153 S160 V161 D162 K167 V168	L23-L164 HydrophobicContact CD2-CD2 4.05Å; I85-L164 HydrophobicContact CD1-CD1 4.46Å; I85-L164 HydrophobicContact CD1-CD2 4.15Å; I85-L164 HydrophobicContact CD1-CG 4.16Å; I85-L164 HydrophobicContact CG2-CD2 3.99Å; Y116-L164 HydrophobicContact CD1-CD1 4.2Å; Y116-L164 HydrophobicContact CG-CD1 4.27Å; C118-L164 HydrophobicContact CB-CD2 4.14Å; F151-L164 HydrophobicContact CB-CD1 4.27Å; F151-L164 HydrophobicContact CD1-CB 4Å; F151-L164 HydrophobicContact CD1-CD1 4.31Å; F151-L164 HydrophobicContact CD2-CD1 3.57Å; F151-L164 HydrophobicContact CE1-CB 4.33Å; F151-L164 HydrophobicContact CE2-CD1 3.96Å; F151-L164 HydrophobicContact CG-CB 4.22Å; F151-L164 HydrophobicContact CG-CD1 3.78Å; F151-L164 HydrophobicContact CZ-CD1 4.47Å; T153-L164 HydrophobicContact CG2-CD2 4.22Å; S160-L164 WeakPolarHBondContact O-CB 3.37Å; S160-L164 PolarHBondContact O-N 3.41Å; S160-L164 VanDerWaalsContact O-N 3.1Å; V161-L164 PolarHBondContact O-N 2.8Å; D162-L164 PolarHBondContact O-N 2.54Å; L164-K167 PolarHBondContact O-N 3.04Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 2.76Å; L164-V168 VanDerWaalsContact O-N 3.11Å
165	F	98.6	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.3	-32.3	-177.7	-74.7	-81.4	0	0	0	112.8	M12 L23 Y27 L59 I61 I85 V161 D162 K167 V168 A169	M12-F165 HydrophobicContact CE-CZ 4.3Å; M12-F165 HydrophobicContact SD-CE1 4.39Å; M12-F165 HydrophobicContact SD-CZ 4.29Å; L23-F165 HydrophobicContact CG-CE2 4.11Å; L23-F165 HydrophobicContact CG-CZ 4.49Å; Y27-F165 HydrophobicContact CD1-CB 4.08Å; Y27-F165 AromaticContact CD1-CD1 3.79Å; Y27-F165 HydrophobicContact CD1-CD1 3.79Å; Y27-F165 AromaticContact CD1-CD2 3.61Å; Y27-F165 HydrophobicContact CD1-CD2 3.61Å; Y27-F165 HydrophobicContact CD1-CE1 4.06Å; Y27-F165 AromaticContact CD1-CE2 3.91Å; Y27-F165 HydrophobicContact CD1-CE2 3.91Å; Y27-F165 AromaticContact CD1-CG 3.55Å; Y27-F165 HydrophobicContact CD1-CG 3.55Å; Y27-F165 HydrophobicContact CD1-CZ 4.13Å; Y27-F165 HydrophobicContact CD2-CB 3.87Å; Y27-F165 AromaticContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CD2 3.53Å; Y27-F165 HydrophobicContact CD2-CE2 4.3Å; Y27-F165 AromaticContact CD2-CG 3.87Å; Y27-F165 HydrophobicContact CD2-CG 3.87Å; Y27-F165 HydrophobicContact CE1-CB 3.68Å; Y27-F165 AromaticContact CE1-CD1 3.81Å; Y27-F165 HydrophobicContact CE1-CD1 3.81Å; Y27-F165 HydrophobicContact CE1-CD2 4.12Å; Y27-F165 HydrophobicContact CE1-CE1 4.47Å; Y27-F165 AromaticContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE2-CB 3.44Å; Y27-F165 VanDerWaalsContact CE2-CB 3.44Å; Y27-F165 HydrophobicContact CE2-CD2 4.06Å; Y27-F165 AromaticContact CE2-CG 3.93Å; Y27-F165 HydrophobicContact CE2-CG 3.93Å; Y27-F165 HydrophobicContact CG-CB 4.17Å; Y27-F165 HydrophobicContact CG-CD1 4.33Å; Y27-F165 AromaticContact CG-CD2 3.28Å; Y27-F165 HydrophobicContact CG-CD2 3.28Å; Y27-F165 AromaticContact CG-CE2 3.64Å; Y27-F165 HydrophobicContact CG-CE2 3.64Å; Y27-F165 AromaticContact CG-CG 3.68Å; Y27-F165 HydrophobicContact CG-CG 3.68Å; Y27-F165 HydrophobicContact CG-CZ 4.3Å; Y27-F165 AromaticContact CZ-CG 3.8Å; L59-F165 HydrophobicContact CD1-CB 4.18Å; L59-F165 HydrophobicContact CD1-CD1 4.12Å; I61-F165 HydrophobicContact CD1-CD1 4.08Å; I61-F165 HydrophobicContact CD1-CE1 3.69Å; I61-F165 HydrophobicContact CD1-CZ 4.48Å; I61-F165 HydrophobicContact CG1-CE1 4.31Å; I85-F165 HydrophobicContact CD1-CD1 3.93Å; I85-F165 HydrophobicContact CD1-CE1 3.47Å; I85-F165 VanDerWaalsContact CD1-CE1 3.47Å; I85-F165 HydrophobicContact CD1-CE2 4.49Å; I85-F165 HydrophobicContact CD1-CZ 3.79Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.5Å; V161-F165 PolarHBondContact O-N 3.02Å; D162-F165 PolarHBondContact O-N 2.88Å; F165-K167 VanDerWaalsContact C-N 3.32Å; F165-V168 PolarHBondContact O-N 3.23Å; F165-A169 PolarHBondContact O-N 3.2Å; F165-A169 VanDerWaalsContact O-N 3.16Å
166	Q	98.1	Very high	96.5	Very high	62 Å²	62	47.6 Å²	47.6	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-46	169.8	-179.6	65.5	32.3	0	0	110.4	M50 D162 V168 A169 E170	M50-Q166 HydrophobicContact CE-CB 4.32Å; D162-Q166 WeakPolarHBondContact O-CB 3.39Å; D162-Q166 PolarHBondContact O-N 3.18Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 3.12Å; Q166-A169 PolarHBondContact O-N 2.66Å; Q166-A169 VanDerWaalsContact O-N 3.13Å; Q166-E170 HydrophobicContact CG-CG 4.42Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.32Å; Q166-E170 PolarHBondContact O-N 2.98Å
167	K	98.5	Very high	95.6	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-40.9	179	-172.2	55.8	171.3	157.1	0	112.6	Y116 Q149 F151 E163 L164 F165 A169 E170 D171	Y116-K167 HydrophobicContact CE1-CG 4.07Å; Q149-K167 VanDerWaalsContact OE1-CG 3.24Å; F151-K167 HydrophobicContact CE2-CG 4.46Å; F151-K167 HydrophobicContact CZ-CB 3.89Å; F151-K167 HydrophobicContact CZ-CG 3.91Å; E163-K167 VanDerWaalsContact O-CB 3.3Å; E163-K167 WeakPolarHBondContact O-CB 3.2Å; E163-K167 PolarHBondContact O-N 3.12Å; L164-K167 PolarHBondContact O-N 3.04Å; F165-K167 VanDerWaalsContact C-N 3.32Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 2.96Å; K167-E170 PolarHBondContact O-N 3.24Å; K167-D171 WeakPolarHBondContact CE-OD1 3.37Å; K167-D171 WeakPolarHBondContact CE-OD2 3.26Å; K167-D171 IonicContact NZ-OD1 3.85Å; K167-D171 PolarHBondContact NZ-OD1 2.71Å; K167-D171 IonicContact NZ-OD2 2.78Å; K167-D171 WeakPolarHBondContact O-CB 3.36Å; K167-D171 PolarHBondContact O-N 3.34Å
168	V	98.6	Very high	94.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-45.8	172.8	172.2	0	0	0	0	111.6	V10 L59 A83 I85 Y116 L164 F165 Q166 Y172	V10-V168 HydrophobicContact CG2-CG1 3.8Å; L59-V168 HydrophobicContact CD2-CG1 4.43Å; A83-V168 HydrophobicContact CB-CG1 3.7Å; I85-V168 HydrophobicContact CD1-CG2 4.26Å; I85-V168 HydrophobicContact CG1-CG2 4.35Å; Y116-V168 HydrophobicContact CD1-CG2 4.18Å; Y116-V168 HydrophobicContact CD2-CG2 3.75Å; Y116-V168 HydrophobicContact CE1-CG2 4.06Å; Y116-V168 HydrophobicContact CE2-CB 4.35Å; Y116-V168 HydrophobicContact CE2-CG2 3.61Å; Y116-V168 HydrophobicContact CG-CG2 4.05Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 2.76Å; L164-V168 VanDerWaalsContact O-N 3.11Å; F165-V168 PolarHBondContact O-N 3.23Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 3.12Å; V168-Y172 WeakPolarHBondContact O-CB 3.26Å; V168-Y172 PolarHBondContact O-N 2.97Å
169	A	97.7	Very high	93.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-43.2	-179.7	0	0	0	0	0	112.3	M50 V52 V57 L59 F165 Q166 K167 Y172 V173	M50-A169 HydrophobicContact CE-CB 3.86Å; M50-A169 HydrophobicContact CG-CB 4.33Å; M50-A169 HydrophobicContact SD-CB 3.6Å; M50-A169 VanDerWaalsContact SD-CB 3.6Å; V52-A169 HydrophobicContact CG2-CB 3.64Å; V57-A169 HydrophobicContact CG1-CB 4.28Å; L59-A169 HydrophobicContact CD2-CB 4.08Å; F165-A169 PolarHBondContact O-N 3.2Å; F165-A169 VanDerWaalsContact O-N 3.16Å; Q166-A169 PolarHBondContact O-N 2.66Å; Q166-A169 VanDerWaalsContact O-N 3.13Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 2.96Å; A169-Y172 PolarHBondContact O-N 2.75Å; A169-V173 WeakPolarHBondContact O-CG2 3.44Å; A169-V173 PolarHBondContact O-N 3.27Å
170	E	97.3	Very high	92.5	Very high	73 Å²	73	52 Å²	52	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-46.3	178.9	-75.6	173.5	179.5	0	0	113	V52 Q166 K167 Y172 V173 S174	V52-E170 HydrophobicContact CG1-CG 3.86Å; Q166-E170 HydrophobicContact CG-CG 4.42Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.32Å; Q166-E170 PolarHBondContact O-N 2.98Å; K167-E170 PolarHBondContact O-N 3.24Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.35Å; E170-V173 PolarHBondContact O-N 2.84Å; E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 3.4Å; E170-S174 PolarHBondContact O-OG 3.24Å
171	D	97.1	Very high	91	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.15	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-40.8	179.2	-66.1	-27.3	0	0	0	110.7	Y116 Q149 K167 S174 V175	Y116-D171 WeakPolarHBondContact CE1-OD2 3.39Å; Y116-D171 VanDerWaalsContact OH-CB 3.25Å; Y116-D171 WeakPolarHBondContact OH-CB 3.38Å; Y116-D171 PolarHBondContact OH-OD2 2.82Å; Q149-D171 PolarHBondContact NE2-OD2 3.17Å; K167-D171 WeakPolarHBondContact CE-OD1 3.37Å; K167-D171 WeakPolarHBondContact CE-OD2 3.26Å; K167-D171 IonicContact NZ-OD1 3.85Å; K167-D171 PolarHBondContact NZ-OD1 2.71Å; K167-D171 IonicContact NZ-OD2 2.78Å; K167-D171 WeakPolarHBondContact O-CB 3.36Å; K167-D171 PolarHBondContact O-N 3.34Å; D171-S174 PolarHBondContact O-N 3.23Å; D171-V175 WeakPolarHBondContact O-CG2 3.3Å; D171-V175 PolarHBondContact O-N 2.65Å
172	Y	95.9	Very high	89.5	Confident	58 Å²	58	59.6 Å²	59.6	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.7	-176.7	-109.8	0	0	0	112.4	V6 D7 V8 K82 V168 A169 E170 S174 V175 A176	V6-Y172 HydrophobicContact CB-CE1 4.17Å; V6-Y172 HydrophobicContact CG2-CD1 4.34Å; V6-Y172 HydrophobicContact CG2-CE1 4.17Å; D7-Y172 PolarHBondContact O-OH 2.69Å; V8-Y172 HydrophobicContact CB-CD1 3.58Å; V8-Y172 HydrophobicContact CB-CD2 4.18Å; V8-Y172 HydrophobicContact CB-CE1 3.62Å; V8-Y172 HydrophobicContact CB-CE2 4.26Å; V8-Y172 HydrophobicContact CB-CG 3.83Å; V8-Y172 HydrophobicContact CG1-CD1 4.33Å; V8-Y172 HydrophobicContact CG2-CD1 3.86Å; V8-Y172 HydrophobicContact CG2-CD2 3.54Å; V8-Y172 HydrophobicContact CG2-CE1 4.08Å; V8-Y172 HydrophobicContact CG2-CE2 3.82Å; V8-Y172 HydrophobicContact CG2-CG 3.54Å; K82-Y172 HydrophobicContact CB-CD2 4.08Å; K82-Y172 HydrophobicContact CB-CE2 3.83Å; K82-Y172 HydrophobicContact CG-CE2 3.83Å; V168-Y172 WeakPolarHBondContact O-CB 3.26Å; V168-Y172 PolarHBondContact O-N 2.97Å; A169-Y172 PolarHBondContact O-N 2.75Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.35Å; Y172-S174 VanDerWaalsContact C-N 3.32Å; Y172-S174 PolarHBondContact O-N 3.13Å; Y172-V175 PolarHBondContact O-N 3.15Å; Y172-A176 WeakPolarHBondContact O-CB 3.36Å; Y172-A176 PolarHBondContact O-N 2.84Å
173	V	94.7	Very high	87.7	Confident	16 Å²	16	62 Å²	62	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-41.3	176.4	166.2	0	0	0	0	111.2	V6 V52 V57 A169 E170 A176 A177	V6-V173 HydrophobicContact CG2-CG2 4.24Å; V52-V173 HydrophobicContact CB-CG2 4.18Å; V52-V173 HydrophobicContact CG1-CB 4.22Å; V52-V173 HydrophobicContact CG1-CG1 4.35Å; V52-V173 HydrophobicContact CG1-CG2 4.2Å; V57-V173 HydrophobicContact CG2-CG2 3.49Å; V57-V173 VanDerWaalsContact CG2-CG2 3.49Å; A169-V173 WeakPolarHBondContact O-CG2 3.44Å; A169-V173 PolarHBondContact O-N 3.27Å; E170-V173 PolarHBondContact O-N 2.84Å; V173-A176 PolarHBondContact O-N 2.98Å; V173-A177 WeakPolarHBondContact O-CB 3.43Å; V173-A177 PolarHBondContact O-N 2.76Å
174	S	92.7	Very high	85.8	Confident	76 Å²	76	63.2 Å²	63.2	53%	0.531	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-44.2	179.2	-59.6	0	0	0	0	111.8	E170 D171 Y172 F178	E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 3.4Å; E170-S174 PolarHBondContact O-OG 3.24Å; D171-S174 PolarHBondContact O-N 3.23Å; Y172-S174 VanDerWaalsContact C-N 3.32Å; Y172-S174 PolarHBondContact O-N 3.13Å; S174-F178 PolarHBondContact O-N 3.38Å; S174-F178 VanDerWaalsContact O-N 3.09Å
175	V	88.3	Confident	83.6	Confident	82 Å²	82	70.6 Å²	70.6	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-44.9	176	172.8	0	0	0	0	111.3	D171 Y172 A177 F178 Q179	D171-V175 WeakPolarHBondContact O-CG2 3.3Å; D171-V175 PolarHBondContact O-N 2.65Å; Y172-V175 PolarHBondContact O-N 3.15Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 3.37Å; V175-F178 PolarHBondContact O-N 3.46Å; V175-Q179 WeakPolarHBondContact O-CG 3.43Å; V175-Q179 PolarHBondContact O-N 3.26Å
176	A	82.2	Confident	81.2	Confident	17 Å²	17	73.4 Å²	73.4	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-64.1	-38.6	179.3	0	0	0	0	0	112.2	Y172 V173 V180	Y172-A176 WeakPolarHBondContact O-CB 3.36Å; Y172-A176 PolarHBondContact O-N 2.84Å; V173-A176 PolarHBondContact O-N 2.98Å; A176-V180 WeakPolarHBondContact O-CG2 3.45Å; A176-V180 PolarHBondContact O-N 2.6Å
177	A	80.3	Confident	78.8	Confident	33 Å²	33	75.9 Å²	75.9	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-40.7	174.6	0	0	0	0	0	111.7	V173 V175 V180 M181	V173-A177 WeakPolarHBondContact O-CB 3.43Å; V173-A177 PolarHBondContact O-N 2.76Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 3.37Å; A177-V180 PolarHBondContact O-N 3.38Å; A177-M181 VanDerWaalsContact O-CG 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.27Å; A177-M181 PolarHBondContact O-N 3.23Å
178	F	79	Confident	76.5	Confident	139 Å²	139	78.6 Å²	78.6	61%	0.61	43%	0.429	S	S	*	.	H	α-helix	trans	-63.6	-41.6	177.1	-175.6	-99.6	0	0	0	112.4	S174 V175 V180 M181 T182	S174-F178 PolarHBondContact O-N 3.38Å; S174-F178 VanDerWaalsContact O-N 3.09Å; V175-F178 PolarHBondContact O-N 3.46Å; F178-V180 PolarHBondContact O-N 3.15Å; F178-M181 PolarHBondContact O-N 3.24Å; F178-T182 HydrophobicContact CD1-CG2 4.14Å; F178-T182 HydrophobicContact CE1-CG2 3.67Å; F178-T182 HydrophobicContact CE2-CG2 4.24Å; F178-T182 HydrophobicContact CZ-CG2 3.72Å; F178-T182 PolarHBondContact O-N 2.93Å; F178-T182 PolarHBondContact O-OG1 3Å
179	Q	77.7	Confident	74.1	Confident	109 Å²	109	86.5 Å²	86.5	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.3	-73.6	176.9	-25.3	0	0	112.5	V175 M181 T182 E183	V175-Q179 WeakPolarHBondContact O-CG 3.43Å; V175-Q179 PolarHBondContact O-N 3.26Å; Q179-M181 VanDerWaalsContact C-N 3.29Å; Q179-M181 PolarHBondContact O-N 3.01Å; Q179-T182 PolarHBondContact O-N 3.19Å; Q179-T182 PolarHBondContact O-OG1 3.16Å; Q179-E183 WeakPolarHBondContact O-CG 3.42Å; Q179-E183 PolarHBondContact O-N 3.08Å
180	V	72.6	Confident	71.4	Confident	80 Å²	80	88.9 Å²	88.9	49%	0.485	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-40.5	175.8	175.1	0	0	0	0	111.1	A176 A177 F178 T182 D184	A176-V180 WeakPolarHBondContact O-CG2 3.45Å; A176-V180 PolarHBondContact O-N 2.6Å; A177-V180 PolarHBondContact O-N 3.38Å; F178-V180 PolarHBondContact O-N 3.15Å; V180-T182 PolarHBondContact O-N 2.81Å; V180-D184 PolarHBondContact O-N 3.11Å
181	M	66	Low	68.7	Low	119 Å²	119	93.6 Å²	93.6	59%	0.586	52%	0.517	S	S	*	.	H	α-helix	trans	-70	-29.3	179.8	-68.3	-69.4	-67.6	0	0	113.7	A177 F178 Q179	A177-M181 VanDerWaalsContact O-CG 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.27Å; A177-M181 PolarHBondContact O-N 3.23Å; F178-M181 PolarHBondContact O-N 3.24Å; Q179-M181 VanDerWaalsContact C-N 3.29Å; Q179-M181 PolarHBondContact O-N 3.01Å
182	T	67.8	Low	65.9	Low	72 Å²	72	101.4 Å²	101.4	44%	0.442	55%	0.55	S	S	.	.	H	α-helix	trans	-82.8	-30.7	177.2	53.8	0	0	0	0	112.8	F178 Q179 V180 K185	F178-T182 HydrophobicContact CD1-CG2 4.14Å; F178-T182 HydrophobicContact CE1-CG2 3.67Å; F178-T182 HydrophobicContact CE2-CG2 4.24Å; F178-T182 HydrophobicContact CZ-CG2 3.72Å; F178-T182 PolarHBondContact O-N 2.93Å; F178-T182 PolarHBondContact O-OG1 3Å; Q179-T182 PolarHBondContact O-N 3.19Å; Q179-T182 PolarHBondContact O-OG1 3.16Å; V180-T182 PolarHBondContact O-N 2.81Å; T182-K185 PolarHBondContact O-N 2.94Å
183	E	61.7	Low	63.4	Low	151 Å²	151	104.2 Å²	104.2	71%	0.706	58%	0.575	S	S	*	*	H	α-helix	trans	-69.3	-40.8	175.4	-73.5	176.1	-178.8	0	0	111.7	Q179 K185 G186	Q179-E183 WeakPolarHBondContact O-CG 3.42Å; Q179-E183 PolarHBondContact O-N 3.08Å; E183-K185 PolarHBondContact O-N 3.36Å; E183-G186 PolarHBondContact O-N 3.37Å; E183-G186 VanDerWaalsContact O-N 3.1Å
184	D	58.5	Low	60.7	Low	147 Å²	147	109.7 Å²	109.7	79%	0.786	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-19.7	178.2	-163.3	47.1	0	0	0	113	V180 G186	V180-D184 PolarHBondContact O-N 3.11Å; D184-G186 VanDerWaalsContact C-N 3.3Å; D184-G186 PolarHBondContact O-N 3.04Å
185	K	51.9	Low	58.6	Low	155 Å²	155	110.6 Å²	110.6	67%	0.674	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	14.4	174.3	-70.9	-171.7	179.5	-176.1	0	113.9	T182 E183 V187	T182-K185 PolarHBondContact O-N 2.94Å; E183-K185 PolarHBondContact O-N 3.36Å; K185-V187 PolarHBondContact O-N 2.97Å
186	G	47.9	Very low	56.3	Low	60 Å²	60	114.3 Å²	114.3	62%	0.619	61%	0.614	S	S	*	*			trans	-51.3	100.8	169.3	0	0	0	0	0	110.5	E183 D184 D188	E183-G186 PolarHBondContact O-N 3.37Å; E183-G186 VanDerWaalsContact O-N 3.1Å; D184-G186 VanDerWaalsContact C-N 3.3Å; D184-G186 PolarHBondContact O-N 3.04Å; G186-D188 PolarHBondContact O-N 3.31Å; G186-D188 VanDerWaalsContact O-N 3.07Å
187	V	49	Very low	54.4	Low	114 Å²	114	123.4 Å²	123.4	69%	0.691	65%	0.651	S	S	*	*			trans	-63.6	109.9	-178.2	178.9	0	0	0	0	108	K185 L189	K185-V187 PolarHBondContact O-N 2.97Å; V187-L189 HydrophobicContact CG1-CD2 3.88Å; V187-L189 HydrophobicContact CG1-CG 4.01Å; V187-L189 PolarHBondContact O-N 3.36Å
188	D	49.6	Very low	52.6	Low	121 Å²	121	130.7 Å²	130.7	65%	0.647	67%	0.673	S	S	*	*			trans	-66.7	95.2	169.9	-174.4	7.6	0	0	0	108.9	G186 G190	G186-D188 PolarHBondContact O-N 3.31Å; G186-D188 VanDerWaalsContact O-N 3.07Å; D188-G190 PolarHBondContact O-N 2.96Å; D188-G190 WeakPolarHBondContact OD1-CA 3.05Å; D188-G190 PolarHBondContact OD1-N 2.9Å
189	L	47.7	Very low	51	Low	166 Å²	166	128.8 Å²	128.8	87%	0.869	68%	0.677	S	S	*	*			trans	-80.1	16.6	172.9	-69.5	172.4	0	0	0	112.2	V187	V187-L189 HydrophobicContact CG1-CD2 3.88Å; V187-L189 HydrophobicContact CG1-CG 4.01Å; V187-L189 PolarHBondContact O-N 3.36Å
190	G	42	Very low	49.2	Very low	50 Å²	50	129.5 Å²	129.5	52%	0.515	69%	0.692	S	S	.	*			trans	-99.3	-13.1	-166	0	0	0	0	0	117.7	D188 K192	D188-G190 PolarHBondContact O-N 2.96Å; D188-G190 WeakPolarHBondContact OD1-CA 3.05Å; D188-G190 PolarHBondContact OD1-N 2.9Å; G190-K192 VanDerWaalsContact C-N 3.34Å; G190-K192 PolarHBondContact O-N 2.77Å
191	Q	40.3	Very low	47.7	Very low	173 Å²	173	130.3 Å²	130.3	81%	0.808	70%	0.701	S	S	*	*			trans	-82	81.1	-177.6	-71.9	-168.1	4.5	0	0	112.2
192	K	38.2	Very low	46.7	Very low	191 Å²	191	133.4 Å²	133.4	83%	0.83	71%	0.713	S	S	*	*			trans	-56	131.1	157.9	-75.1	-179.5	176.1	176.4	0	108.6	G190 N194	G190-K192 VanDerWaalsContact C-N 3.34Å; G190-K192 PolarHBondContact O-N 2.77Å; K192-N194 PolarHBondContact O-N 3.28Å
193	P	42.4	Very low	45.8	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	75%	0.75	S	S	*	*			trans	-66.4	112.2	176.9	26.1	-30.1	0	0	0	108.1	P195	P193-P195 WeakPolarHBondContact O-CD 3.38Å
194	N	39.3	Very low	45	Very low	130 Å²	130	142 Å²	142	70%	0.695	75%	0.752	S	S	*	*			trans	-73.2	108.7	174.8	-171.6	5.6	0	0	0	108.7	K192 Y196	K192-N194 PolarHBondContact O-N 3.28Å; N194-Y196 PolarHBondContact O-N 3Å
195	P	48.1	Very low	44.3	Very low	96 Å²	96	141.7 Å²	141.7	62%	0.623	75%	0.75	S	S	*	*			trans	-103.3	57.4	-174.6	33.5	-16.6	0	0	0	110.1	P193	P193-P195 WeakPolarHBondContact O-CD 3.38Å
196	Y	39.7	Very low	43.9	Very low	160 Å²	160	141 Å²	141	63%	0.627	75%	0.754	S	S	*	*			trans	-150.1	78.6	174.8	-69.1	-70.3	0	0	0	112.1	N194 Y198	N194-Y196 PolarHBondContact O-N 3Å; Y196-Y198 HydrophobicContact CD1-CD2 4.05Å; Y196-Y198 AromaticContact CD1-CE2 3.49Å; Y196-Y198 HydrophobicContact CD1-CE2 3.49Å; Y196-Y198 VanDerWaalsContact CD1-CE2 3.49Å; Y196-Y198 HydrophobicContact CE1-CE2 4.02Å
197	F	41.5	Very low	43.6	Very low	208 Å²	208	145.8 Å²	145.8	91%	0.912	76%	0.762	S	S	*	*			trans	-103.8	90.2	151.9	-95.2	-84.1	0	0	0	107.9	S199	F197-S199 PolarHBondContact O-N 2.88Å
198	Y	44.2	Very low	43.3	Very low	186 Å²	186	147.8 Å²	147.8	73%	0.729	77%	0.767	S	S	*	*			trans	-67.7	108.5	165.5	-86.4	-83	0	0	0	108.4	Y196	Y196-Y198 HydrophobicContact CD1-CD2 4.05Å; Y196-Y198 AromaticContact CD1-CE2 3.49Å; Y196-Y198 HydrophobicContact CD1-CE2 3.49Å; Y196-Y198 VanDerWaalsContact CD1-CE2 3.49Å; Y196-Y198 HydrophobicContact CE1-CE2 4.02Å
199	S	43.8	Very low	42.9	Very low	99 Å²	99	149.5 Å²	149.5	69%	0.692	78%	0.775	S	S	*	*			trans	-72.3	115.3	161.3	170.8	0	0	0	0	108.3	F197	F197-S199 PolarHBondContact O-N 2.88Å
200	C	41.6	Very low	42.5	Very low	124 Å²	124	148.4 Å²	148.4	84%	0.838	77%	0.768	S	S	*	*			trans	-108.9	80.4	165.5	-73.1	0	0	0	0	108.5
201	C	39.6	Very low	42.6	Very low	97 Å²	97	155.9 Å²	155.9	66%	0.655	79%	0.788	S	S	*	*			trans	-85.6	124.8	152.5	-65.1	0	0	0	0	107.1
202	H	45.7	Very low	42.8	Very low	184 Å²	184	154.5 Å²	154.5	85%	0.852	79%	0.786	S	S	*	*			trans	-167.6	108.8	140.9	-93.7	-60.1	0	0	0	108.9
203	H	49.1	Very low	43.2	Very low	261 Å²	261	151.2 Å²	151.2	100%	1.208	78%	0.782	S	S	*	*			trans	14.6	0	150.6	-67.8	76.7	0	0	0	118.8

Retrieved 203 of 203 residues in 73.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).