RB27B_RAT Loading...

Ras-related protein Rab-27B

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. RAB27B regulates homeostasis of late endocytic pathway, including endosomal positioning, maturation and secretion (By similarity). Plays a role in NTRK2/TRKB axonal anterograde transport by facilitating the association of NTRK2/TRKB with KLC1¹. May be involved in targeting uroplakins to urothelial apical membranes (By similarity).

AlphaFold DB , UniProt , Accession Q99P74, Species RAT (Rattus norvegicus, Rat), Gene Rab27b, Length 218 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	78	Confident	239 Å²	239	90 Å²	90	100%	1.177	49%	0.491	S	S	*	.				0	123.2	0	-71.1	171.4	177.6	0	0	106.4	D3	M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.29Å
2	T	48.5	Very low	79.5	Confident	147 Å²	147	82.6 Å²	82.6	90%	0.902	45%	0.45	S	S	*	.			trans	-75.8	79.1	179.3	48.5	0	0	0	0	108.5	G4	T2-G4 PolarHBondContact O-N 3.25Å
3	D	57.4	Low	80.8	Confident	85 Å²	85	76.3 Å²	76.3	46%	0.455	42%	0.416	S	S	.	.			trans	-77.5	68.5	178.8	-163.3	27.2	0	0	0	109.2	M1 D5 Y6 R50	M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.29Å; D3-D5 VanDerWaalsContact C-N 3.29Å; D3-D5 PolarHBondContact O-N 3.3Å; D3-Y6 WeakPolarHBondContact O-CE1 3.49Å; D3-R50 IonicContact OD1-NH2 2.67Å; D3-R50 PolarHBondContact OD1-NH2 3.26Å; D3-R50 IonicContact OD2-NH2 3.96Å; D3-R50 PolarHBondContact OD2-NH2 3.46Å
4	G	62.4	Low	81.9	Confident	75 Å²	75	70.9 Å²	70.9	77%	0.773	39%	0.387	S	S	*	.			trans	-79.7	54.5	-167.1	0	0	0	0	0	115	T2	T2-G4 PolarHBondContact O-N 3.25Å
5	D	84.8	Confident	82.8	Confident	87 Å²	87	66.2 Å²	66.2	47%	0.465	36%	0.361	S	S	.	.			trans	-132.7	28.4	175	-149.8	29.3	0	0	0	114.6	D3 K67	D3-D5 VanDerWaalsContact C-N 3.29Å; D3-D5 PolarHBondContact O-N 3.3Å; D5-K67 WeakPolarHBondContact O-CD 3.5Å; D5-K67 IonicContact OD1-NZ 2.63Å; D5-K67 PolarHBondContact OD1-NZ 3.28Å; D5-K67 IonicContact OD2-NZ 3.81Å; D5-K67 PolarHBondContact OD2-NZ 3.27Å; D5-K67 VanDerWaalsContact OD2-NZ 3.17Å
6	Y	91.8	Very high	83.6	Confident	83 Å²	83	62.1 Å²	62.1	33%	0.325	34%	0.339	S	S	.	.			trans	-139.7	147.4	168.9	63.2	-96.9	0	0	0	111.4	D3 Y8 L9 H69	D3-Y6 WeakPolarHBondContact O-CE1 3.49Å; Y6-Y8 VanDerWaalsContact CD2-C 3.43Å; Y6-Y8 VanDerWaalsContact CD2-O 3.31Å; Y6-Y8 WeakPolarHBondContact CD2-O 2.93Å; Y6-L9 HydrophobicContact CD2-CB 4.41Å; Y6-L9 HydrophobicContact CE2-CB 3.65Å; Y6-H69 HydrophobicContact CD1-CB 3.66Å; Y6-H69 AromaticContact CD1-ND1 3.64Å; Y6-H69 HydrophobicContact CD2-CB 3.99Å; Y6-H69 HydrophobicContact CE1-CB 4.11Å; Y6-H69 AromaticContact CE1-ND1 3.5Å; Y6-H69 HydrophobicContact CE2-CB 4.42Å; Y6-H69 HydrophobicContact CG-CB 3.58Å
7	D	94.2	Very high	84.3	Confident	84 Å²	84	60.3 Å²	60.3	45%	0.449	33%	0.329	S	S	.	.	S	Bend	trans	-81.1	-36.6	176.2	-59.8	-74.2	0	0	0	111.3	F66 K67	D7-F66 HydrophobicContact CB-CB 4.34Å; D7-F66 HydrophobicContact CB-CD1 3.96Å; D7-F66 WeakPolarHBondContact OD2-CA 3.14Å; D7-K67 PolarHBondContact N-O 3.2Å; D7-K67 PolarHBondContact OD2-N 2.82Å
8	Y	95	Very high	84.8	Confident	68 Å²	68	59.8 Å²	59.8	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.6	-177.8	-61.5	-72.4	0	0	0	112.7	Y6 F66 K67 V68 H69 M182 M185	Y6-Y8 VanDerWaalsContact CD2-C 3.43Å; Y6-Y8 VanDerWaalsContact CD2-O 3.31Å; Y6-Y8 WeakPolarHBondContact CD2-O 2.93Å; Y8-F66 HydrophobicContact CD2-CB 4.06Å; Y8-F66 HydrophobicContact CD2-CD1 4.18Å; Y8-F66 HydrophobicContact CD2-CG 4.22Å; Y8-F66 HydrophobicContact CE2-CB 4.08Å; Y8-F66 AromaticContact CE2-CD1 3.45Å; Y8-F66 HydrophobicContact CE2-CD1 3.45Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.45Å; Y8-F66 HydrophobicContact CE2-CD2 4.32Å; Y8-F66 AromaticContact CE2-CE1 3.77Å; Y8-F66 HydrophobicContact CE2-CE1 3.77Å; Y8-F66 AromaticContact CE2-CG 3.72Å; Y8-F66 HydrophobicContact CE2-CG 3.72Å; Y8-F66 HydrophobicContact CE2-CZ 4.33Å; Y8-K67 PolarHBondContact N-O 2.88Å; Y8-V68 WeakPolarHBondContact O-CA 3.14Å; Y8-H69 PolarHBondContact O-N 3.12Å; Y8-M182 HydrophobicContact CD2-CE 3.61Å; Y8-M182 HydrophobicContact CD2-SD 4.18Å; Y8-M182 HydrophobicContact CE2-CE 3.63Å; Y8-M182 HydrophobicContact CG-CE 4.45Å; Y8-M182 HydrophobicContact CG-SD 4.49Å; Y8-M185 HydrophobicContact CD1-CE 3.45Å; Y8-M185 VanDerWaalsContact CD1-CE 3.45Å; Y8-M185 HydrophobicContact CE1-CE 3.64Å; Y8-M185 HydrophobicContact CG-CE 4.32Å
9	L	94.9	Very high	85.3	Confident	63 Å²	63	58 Å²	58	33%	0.33	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	165.7	-178	66.9	0	0	0	108.1	Y6 H69 Q71	Y6-L9 HydrophobicContact CD2-CB 4.41Å; Y6-L9 HydrophobicContact CE2-CB 3.65Å; L9-H69 WeakPolarHBondContact CA-O 3.44Å; L9-H69 HydrophobicContact CD1-CB 3.99Å; L9-Q71 HydrophobicContact CD1-CG 3.81Å
10	I	95.6	Very high	85.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	-178	-68.2	177.3	0	0	0	110.2	L12 V68 H69 L70 Q71 M93 L178 I181 M182 M185	I10-L12 HydrophobicContact CG2-CD2 3.67Å; I10-L12 HydrophobicContact CG2-CG 4.24Å; I10-V68 HydrophobicContact CB-CG1 4.21Å; I10-V68 HydrophobicContact CD1-CG1 3.84Å; I10-V68 HydrophobicContact CG1-CG1 4.13Å; I10-H69 PolarHBondContact N-O 3.33Å; I10-L70 HydrophobicContact CB-CD2 3.97Å; I10-L70 HydrophobicContact CG2-CD2 4.05Å; I10-L70 WeakPolarHBondContact O-CA 3.33Å; I10-Q71 PolarHBondContact O-N 2.91Å; I10-M93 HydrophobicContact CB-SD 4.25Å; I10-M93 HydrophobicContact CG1-CE 4.2Å; I10-M93 HydrophobicContact CG1-SD 4.08Å; I10-M93 HydrophobicContact CG2-CB 4.43Å; I10-M93 HydrophobicContact CG2-SD 4.29Å; I10-L178 HydrophobicContact CD1-CD1 3.41Å; I10-L178 VanDerWaalsContact CD1-CD1 3.41Å; I10-I181 HydrophobicContact CD1-CG2 4Å; I10-I181 HydrophobicContact CG1-CG2 4.47Å; I10-I181 HydrophobicContact CG2-CD1 3.92Å; I10-I181 HydrophobicContact CG2-CG2 4.31Å; I10-M182 HydrophobicContact CD1-CG 4.37Å; I10-M182 HydrophobicContact CD1-SD 3.62Å; I10-M185 HydrophobicContact CD1-SD 4.45Å
11	K	94.8	Very high	86.3	Confident	59 Å²	59	53.1 Å²	53.1	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117	179.7	-67.3	175.5	177.8	-177.7	0	110.5	Q71 D91 M93 G94	K11-Q71 CarbonylContact C-O 3.55Å; K11-Q71 WeakPolarHBondContact CA-O 3.39Å; K11-Q71 VanDerWaalsContact CE-OE1 3.23Å; K11-Q71 HydrophobicContact CG-CB 4Å; K11-D91 HydrophobicContact CD-CB 4.4Å; K11-D91 WeakPolarHBondContact CD-O 3.46Å; K11-M93 PolarHBondContact O-N 2.97Å; K11-G94 PolarHBondContact O-N 2.88Å
12	L	96.7	Very high	89.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.5	174.6	-49.3	-177.5	0	0	0	109.7	I10 L70 Q71 L72 W73 G94 V174 L177 I181	I10-L12 HydrophobicContact CG2-CD2 3.67Å; I10-L12 HydrophobicContact CG2-CG 4.24Å; L12-L70 HydrophobicContact CD1-CD2 4.25Å; L12-Q71 PolarHBondContact N-O 3.06Å; L12-L72 HydrophobicContact CB-CD2 4.03Å; L12-L72 HydrophobicContact CD1-CD2 3.85Å; L12-L72 HydrophobicContact CG-CD2 4.28Å; L12-W73 PolarHBondContact O-N 2.8Å; L12-G94 WeakPolarHBondContact CA-O 3.31Å; L12-V174 HydrophobicContact CD1-CG1 4.03Å; L12-L177 HydrophobicContact CD1-CD2 4.22Å; L12-L177 HydrophobicContact CD2-CD2 3.93Å; L12-L177 HydrophobicContact CD2-CG 4.19Å; L12-L177 HydrophobicContact CG-CD2 4.5Å; L12-I181 HydrophobicContact CD2-CD1 3.33Å
13	L	95.7	Very high	91.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.8	178.9	-168	68.5	0	0	0	110	L15 W73 T75 F88 F89 A92 G94 F95 L96	L13-L15 HydrophobicContact CD2-CD1 4.47Å; L13-L15 HydrophobicContact CD2-CD2 3.81Å; L13-L15 HydrophobicContact CD2-CG 4.31Å; L13-L15 HydrophobicContact CG-CD2 3.94Å; L13-L15 HydrophobicContact CG-CG 4.26Å; L13-W73 HydrophobicContact CD1-CB 3.28Å; L13-W73 HydrophobicContact CD1-CG 4.25Å; L13-T75 HydrophobicContact CD1-CG2 3.27Å; L13-T75 HydrophobicContact CD2-CG2 4.25Å; L13-T75 HydrophobicContact CG-CG2 3.74Å; L13-F88 HydrophobicContact CD1-CB 4.27Å; L13-F88 HydrophobicContact CD2-CB 4.25Å; L13-F89 HydrophobicContact CD2-CD1 3.49Å; L13-F89 VanDerWaalsContact CD2-CD1 3.49Å; L13-F89 HydrophobicContact CD2-CE1 3.73Å; L13-A92 HydrophobicContact CB-CB 3.85Å; L13-A92 HydrophobicContact CD2-CB 4.46Å; L13-G94 PolarHBondContact N-O 2.56Å; L13-F95 HydrophobicContact CB-CD1 3.83Å; L13-F95 HydrophobicContact CB-CE1 4.11Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.87Å; L13-F95 HydrophobicContact CG-CD1 4.47Å; L13-F95 WeakPolarHBondContact O-CA 3.45Å; L13-L96 PolarHBondContact O-N 3.11Å
14	A	96.5	Very high	93.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.8	173.3	0	0	0	0	0	110	K22 L26 W73 T75 L96	A14-K22 HydrophobicContact CB-CB 4.19Å; A14-K22 HydrophobicContact CB-CD 4.35Å; A14-K22 HydrophobicContact CB-CG 4.46Å; A14-L26 HydrophobicContact CB-CD1 3.96Å; A14-L26 HydrophobicContact CB-CG 4.46Å; A14-W73 PolarHBondContact N-O 3.13Å; A14-T75 WeakPolarHBondContact O-CG2 3.47Å; A14-T75 PolarHBondContact O-OG1 2.92Å; A14-L96 WeakPolarHBondContact CA-O 3.48Å; A14-L96 HydrophobicContact CB-CB 4.49Å
15	L	95.2	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.5	-175.9	-62.2	178.5	0	0	0	111.5	L13 K22 T75 T85 F89 F95 L96 L97 M98 W113 L117	L13-L15 HydrophobicContact CD2-CD1 4.47Å; L13-L15 HydrophobicContact CD2-CD2 3.81Å; L13-L15 HydrophobicContact CD2-CG 4.31Å; L13-L15 HydrophobicContact CG-CD2 3.94Å; L13-L15 HydrophobicContact CG-CG 4.26Å; L15-K22 VanDerWaalsContact C-CD 3.45Å; L15-T75 HydrophobicContact CD2-CG2 4.01Å; L15-T85 HydrophobicContact CD2-CG2 3.75Å; L15-F89 HydrophobicContact CD1-CE1 3.8Å; L15-F89 HydrophobicContact CD1-CE2 4.43Å; L15-F89 HydrophobicContact CD1-CZ 3.7Å; L15-F89 HydrophobicContact CD2-CE1 3.56Å; L15-F89 HydrophobicContact CD2-CZ 3.96Å; L15-F89 HydrophobicContact CG-CE1 4.35Å; L15-F95 HydrophobicContact CD1-CB 4.45Å; L15-F95 HydrophobicContact CD1-CD1 3.58Å; L15-F95 HydrophobicContact CD1-CE1 4.24Å; L15-F95 HydrophobicContact CD1-CG 4.36Å; L15-F95 HydrophobicContact CG-CD1 4.34Å; L15-L96 PolarHBondContact N-O 2.79Å; L15-L97 HydrophobicContact CB-CD1 4.02Å; L15-M98 PolarHBondContact O-N 3.07Å; L15-W113 HydrophobicContact CB-CE3 4.27Å; L15-W113 HydrophobicContact CD2-CZ3 4.19Å; L15-L117 HydrophobicContact CD1-CD1 3.95Å; L15-L117 HydrophobicContact CD1-CD2 3.44Å; L15-L117 VanDerWaalsContact CD1-CD2 3.44Å; L15-L117 HydrophobicContact CD1-CG 3.91Å
16	G	95.9	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	133.5	169.9	-176	0	0	0	0	0	112.2	K22 G77 M98 W113	G16-K22 PolarHBondContact O-NZ 2.82Å; G16-G77 WeakPolarHBondContact O-CA 3.38Å; G16-M98 VanDerWaalsContact CA-O 3.29Å; G16-M98 WeakPolarHBondContact CA-O 3.35Å; G16-W113 WeakPolarHBondContact O-CZ2 3.18Å
17	D	95.2	Very high	95.6	Very high	32 Å²	32	27.1 Å²	27.1	17%	0.171	15%	0.147	C	C	.	.			trans	-60.9	164.5	-176.7	-73.1	7.3	0	0	0	112.9	V20 K22 N109 W113	D17-V20 HydrophobicContact CB-CG1 3.85Å; D17-V20 VanDerWaalsContact O-CG2 3.31Å; D17-V20 WeakPolarHBondContact O-CG2 3.39Å; D17-K22 PolarHBondContact O-NZ 3.48Å; D17-N109 WeakPolarHBondContact OD2-CB 3.29Å; D17-N109 PolarHBondContact OD2-ND2 3.28Å; D17-W113 PolarHBondContact OD1-NE1 3.39Å
18	S	93.5	Very high	95.8	Very high	51 Å²	51	25 Å²	25	36%	0.357	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	139.5	170.1	-168.5	0	0	0	0	110.2	V20 G77	S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 3.2Å; S18-G77 PolarHBondContact N-O 3.24Å
19	G	93.9	Very high	95.9	Very high	26 Å²	26	22.3 Å²	22.3	27%	0.268	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-4.5	175.3	0	0	0	0	0	116.8	G21 K134	G19-G21 PolarHBondContact O-N 3.4Å; G19-K134 WeakPolarHBondContact O-CE 3.49Å; G19-K134 PolarHBondContact O-NZ 2.91Å
20	V	96.6	Very high	96	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	12%	0.116	C	C	.	.	S	Bend	trans	-71.6	-13.5	178.2	-53.6	0	0	0	0	113.9	D17 S18 K22 M98 D100 N133	D17-V20 HydrophobicContact CB-CG1 3.85Å; D17-V20 VanDerWaalsContact O-CG2 3.31Å; D17-V20 WeakPolarHBondContact O-CG2 3.39Å; S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 3.2Å; V20-K22 HydrophobicContact CG2-CD 4.43Å; V20-K22 HydrophobicContact CG2-CG 3.73Å; V20-M98 HydrophobicContact CB-CG 4.48Å; V20-M98 HydrophobicContact CG2-CB 4.04Å; V20-M98 HydrophobicContact CG2-CG 4.01Å; V20-M98 HydrophobicContact CG2-SD 4.21Å; V20-D100 HydrophobicContact CB-CB 4.22Å; V20-D100 HydrophobicContact CG1-CB 4.11Å; V20-N133 PolarHBondContact O-ND2 2.83Å
21	G	96.5	Very high	96	Very high	12 Å²	12	24 Å²	24	12%	0.124	13%	0.133	C	C	.	.	S	Bend	trans	99	24.7	174.5	0	0	0	0	0	115.7	G19 T23 T24 F25	G19-G21 PolarHBondContact O-N 3.4Å; G21-T23 PolarHBondContact O-N 3Å; G21-T24 WeakPolarHBondContact CA-OG1 3.3Å; G21-T24 PolarHBondContact O-N 3.19Å; G21-T24 PolarHBondContact O-OG1 3.19Å; G21-T24 VanDerWaalsContact O-OG1 3.07Å; G21-F25 WeakPolarHBondContact O-CB 3.44Å; G21-F25 PolarHBondContact O-N 3.48Å
22	K	95.7	Very high	96	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-52.5	-52.6	175.1	-58.5	-174	-62.4	-76.1	0	112.4	A14 L15 G16 D17 V20 F25 L26 D74 T75 M98	A14-K22 HydrophobicContact CB-CB 4.19Å; A14-K22 HydrophobicContact CB-CD 4.35Å; A14-K22 HydrophobicContact CB-CG 4.46Å; L15-K22 VanDerWaalsContact C-CD 3.45Å; G16-K22 PolarHBondContact O-NZ 2.82Å; D17-K22 PolarHBondContact O-NZ 3.48Å; V20-K22 HydrophobicContact CG2-CD 4.43Å; V20-K22 HydrophobicContact CG2-CG 3.73Å; K22-F25 WeakPolarHBondContact O-CB 3.48Å; K22-F25 PolarHBondContact O-N 3.04Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 3.09Å; K22-D74 VanDerWaalsContact CB-OD1 3.27Å; K22-D74 WeakPolarHBondContact CB-OD1 3.32Å; K22-T75 WeakPolarHBondContact CE-O 3.44Å; K22-M98 HydrophobicContact CG-CB 4.4Å; K22-M98 HydrophobicContact CG-SD 4.27Å
23	T	95.2	Very high	95.9	Very high	37 Å²	37	33.3 Å²	33.3	23%	0.227	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-52.2	178.3	-41.4	0	0	0	0	111.6	G21 F25 L26 Y27 T41 D74	G21-T23 PolarHBondContact O-N 3Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 2.68Å; T23-L26 PolarHBondContact O-N 2.78Å; T23-L26 VanDerWaalsContact O-N 3.17Å; T23-Y27 HydrophobicContact CG2-CD2 3.91Å; T23-Y27 HydrophobicContact CG2-CE2 3.81Å; T23-Y27 VanDerWaalsContact O-CD2 3.25Å; T23-Y27 WeakPolarHBondContact O-CD2 3.36Å; T23-Y27 PolarHBondContact O-N 3.34Å; T23-T41 PolarHBondContact OG1-OG1 2.94Å; T23-D74 WeakPolarHBondContact CA-OD2 3.34Å; T23-D74 VanDerWaalsContact CB-OD2 3.26Å; T23-D74 WeakPolarHBondContact CB-OD2 3.12Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.1Å; T23-D74 PolarHBondContact OG1-OD2 3.32Å
24	T	96.3	Very high	95.8	Very high	34 Å²	34	37.1 Å²	37.1	21%	0.209	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-34	-177.8	49.8	0	0	0	0	112.4	G21 R28 F34	G21-T24 WeakPolarHBondContact CA-OG1 3.3Å; G21-T24 PolarHBondContact O-N 3.19Å; G21-T24 PolarHBondContact O-OG1 3.19Å; G21-T24 VanDerWaalsContact O-OG1 3.07Å; T24-R28 WeakPolarHBondContact O-CB 3.37Å; T24-R28 PolarHBondContact O-N 3.5Å; T24-F34 HydrophobicContact CG2-CD2 4.48Å; T24-F34 HydrophobicContact CG2-CE2 4.35Å
25	F	98	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-48.2	171.6	176.2	-81.5	0	0	0	111.5	G21 K22 T23 R28 Y29 L96 M98 I131 T162 A164 V170 S173 V174	G21-F25 WeakPolarHBondContact O-CB 3.44Å; G21-F25 PolarHBondContact O-N 3.48Å; K22-F25 WeakPolarHBondContact O-CB 3.48Å; K22-F25 PolarHBondContact O-N 3.04Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 2.68Å; F25-R28 WeakPolarHBondContact O-CB 3.45Å; F25-R28 PolarHBondContact O-N 3.34Å; F25-Y29 PolarHBondContact O-N 3.4Å; F25-L96 HydrophobicContact CE1-CD1 3.98Å; F25-M98 HydrophobicContact CB-CE 3.61Å; F25-M98 HydrophobicContact CB-SD 4.26Å; F25-M98 HydrophobicContact CD1-CE 3.86Å; F25-M98 HydrophobicContact CD2-CE 3.77Å; F25-M98 HydrophobicContact CE2-CE 4.4Å; F25-M98 HydrophobicContact CG-CE 3.47Å; F25-M98 VanDerWaalsContact CG-CE 3.47Å; F25-I131 HydrophobicContact CE1-CD1 4.48Å; F25-I131 HydrophobicContact CE2-CD1 3.95Å; F25-I131 HydrophobicContact CE2-CG2 4.4Å; F25-I131 HydrophobicContact CZ-CD1 3.77Å; F25-T162 HydrophobicContact CE2-CG2 4.1Å; F25-A164 HydrophobicContact CB-CB 4.43Å; F25-V170 HydrophobicContact CD2-CB 4.48Å; F25-V170 HydrophobicContact CD2-CG1 4.12Å; F25-V170 HydrophobicContact CD2-CG2 3.94Å; F25-V170 HydrophobicContact CE1-CG1 4.23Å; F25-V170 HydrophobicContact CE2-CB 4.05Å; F25-V170 HydrophobicContact CE2-CG1 3.81Å; F25-V170 HydrophobicContact CE2-CG2 3.88Å; F25-V170 HydrophobicContact CG-CG1 4.46Å; F25-V170 HydrophobicContact CZ-CB 4.44Å; F25-V170 HydrophobicContact CZ-CG1 3.86Å; F25-S173 WeakPolarHBondContact CZ-OG 3.35Å; F25-V174 HydrophobicContact CE1-CG2 3.75Å; F25-V174 HydrophobicContact CZ-CG2 3.84Å
26	L	97.1	Very high	95	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-40.9	178.9	-68.1	176.5	0	0	0	111.5	A14 K22 T23 R28 Y29 T30 L72 D74 L96	A14-L26 HydrophobicContact CB-CD1 3.96Å; A14-L26 HydrophobicContact CB-CG 4.46Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 3.09Å; T23-L26 PolarHBondContact O-N 2.78Å; T23-L26 VanDerWaalsContact O-N 3.17Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.05Å; L26-Y29 PolarHBondContact O-N 3.25Å; L26-T30 WeakPolarHBondContact O-CG2 3.47Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 3.23Å; L26-L72 HydrophobicContact CD2-CB 4.12Å; L26-L72 HydrophobicContact CD2-CD1 4.34Å; L26-L72 HydrophobicContact CD2-CD2 4.35Å; L26-D74 HydrophobicContact CD1-CB 3.62Å; L26-L96 HydrophobicContact CD2-CD1 4.31Å
27	Y	95.8	Very high	94.5	Very high	85 Å²	85	53.5 Å²	53.5	33%	0.333	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-39	172.3	-89.5	-104.2	0	0	0	112.7	T23 Y29 D31 N32 K33 R47	T23-Y27 HydrophobicContact CG2-CD2 3.91Å; T23-Y27 HydrophobicContact CG2-CE2 3.81Å; T23-Y27 VanDerWaalsContact O-CD2 3.25Å; T23-Y27 WeakPolarHBondContact O-CD2 3.36Å; T23-Y27 PolarHBondContact O-N 3.34Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-D31 PolarHBondContact O-N 3.35Å; Y27-N32 PolarHBondContact O-N 3.1Å; Y27-K33 CarbonylContact C-O 3.5Å; Y27-K33 PolarHBondContact O-N 3.37Å; Y27-R47 VanDerWaalsContact CE1-CZ 3.44Å; Y27-R47 VanDerWaalsContact CE1-NH2 3.27Å; Y27-R47 VanDerWaalsContact CE2-NH1 3.35Å; Y27-R47 VanDerWaalsContact CZ-NH1 3.29Å; Y27-R47 VanDerWaalsContact CZ-NH2 3.26Å; Y27-R47 PolarHBondContact OH-NH2 3.2Å
28	R	97.5	Very high	94	Very high	40 Å²	40	58 Å²	58	15%	0.151	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-42.2	174.2	174	58.8	72.6	-169.3	5.4	110.7	T24 F25 L26 N32 K33 A164 A165 V170	T24-R28 WeakPolarHBondContact O-CB 3.37Å; T24-R28 PolarHBondContact O-N 3.5Å; F25-R28 WeakPolarHBondContact O-CB 3.45Å; F25-R28 PolarHBondContact O-N 3.34Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.05Å; R28-N32 PolarHBondContact NH1-O 3.38Å; R28-N32 PolarHBondContact NH1-OD1 2.87Å; R28-N32 WeakPolarHBondContact O-CA 3.09Å; R28-N32 PolarHBondContact O-N 3.02Å; R28-N32 VanDerWaalsContact O-N 3.15Å; R28-K33 WeakPolarHBondContact CA-O 3.42Å; R28-K33 PolarHBondContact N-O 3.35Å; R28-A164 PolarHBondContact NE-O 3.46Å; R28-A164 PolarHBondContact NH2-O 3.17Å; R28-A165 PolarHBondContact NH2-O 3Å; R28-V170 HydrophobicContact CB-CG1 4.44Å; R28-V170 HydrophobicContact CG-CB 4.26Å; R28-V170 HydrophobicContact CG-CG1 4.08Å; R28-V170 HydrophobicContact CG-CG2 3.96Å
29	Y	98.2	Very high	93.6	Very high	12 Å²	12	61 Å²	61	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-42.3	179.6	-179	-111.8	0	0	0	113.4	F25 L26 Y27 K49 L70 L72 V170 E171 V174	F25-Y29 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 3.25Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-K49 HydrophobicContact CD1-CD 3.9Å; Y29-K49 HydrophobicContact CE1-CB 4.39Å; Y29-K49 HydrophobicContact CE1-CD 3.41Å; Y29-K49 VanDerWaalsContact CE1-CD 3.41Å; Y29-K49 HydrophobicContact CE1-CG 4.48Å; Y29-K49 HydrophobicContact CE2-CD 4.37Å; Y29-K49 PolarHBondContact O-NZ 2.82Å; Y29-L70 HydrophobicContact CE1-CD1 4.11Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.4Å; Y29-L72 HydrophobicContact CD1-CD1 3.68Å; Y29-L72 HydrophobicContact CE1-CD1 3.95Å; Y29-V170 HydrophobicContact CD2-CG1 4.36Å; Y29-E171 HydrophobicContact CE2-CG 4.34Å; Y29-V174 HydrophobicContact CD1-CG1 4.36Å; Y29-V174 HydrophobicContact CD1-CG2 4.33Å; Y29-V174 HydrophobicContact CD2-CB 4.18Å; Y29-V174 HydrophobicContact CD2-CG2 3.96Å; Y29-V174 HydrophobicContact CE1-CB 4.36Å; Y29-V174 HydrophobicContact CE1-CG1 3.69Å; Y29-V174 HydrophobicContact CE1-CG2 4.43Å; Y29-V174 HydrophobicContact CE2-CB 3.78Å; Y29-V174 HydrophobicContact CE2-CG1 3.9Å; Y29-V174 HydrophobicContact CE2-CG2 4.09Å; Y29-V174 HydrophobicContact CG-CG2 4.09Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.42Å
30	T	96.8	Very high	93.3	Very high	32 Å²	32	62.2 Å²	62.2	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-83.3	-44	-175.3	56.3	0	0	0	0	113.4	L26 R47 K49 L72	L26-T30 WeakPolarHBondContact O-CG2 3.47Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 3.23Å; T30-R47 HydrophobicContact CG2-CB 4.17Å; T30-R47 PolarHBondContact OG1-NH1 3.41Å; T30-K49 HydrophobicContact CG2-CB 4.34Å; T30-L72 HydrophobicContact CG2-CD1 3.4Å; T30-L72 VanDerWaalsContact CG2-CD1 3.4Å
31	D	95.1	Very high	92.5	Very high	67 Å²	67	63.4 Å²	63.4	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-113.9	-3	-169.8	-58.7	-88.5	0	0	0	113.5	Y27 K33 R47	Y27-D31 PolarHBondContact O-N 3.35Å; D31-K33 HydrophobicContact CB-CB 4.19Å; D31-K33 HydrophobicContact CB-CD 3.99Å; D31-K33 HydrophobicContact CB-CG 4.07Å; D31-K33 PolarHBondContact O-N 3.3Å; D31-R47 IonicContact OD2-CZ 3.14Å; D31-R47 IonicContact OD2-NH1 2.66Å; D31-R47 PolarHBondContact OD2-NH1 2.88Å; D31-R47 IonicContact OD2-NH2 3.41Å
32	N	95.6	Very high	91.7	Very high	119 Å²	119	68 Å²	68	64%	0.636	35%	0.346	S	S	*	.	S	Bend	trans	52.3	38.4	-168.8	-165.1	20.2	0	0	0	112.8	Y27 R28	Y27-N32 PolarHBondContact O-N 3.1Å; R28-N32 PolarHBondContact NH1-O 3.38Å; R28-N32 PolarHBondContact NH1-OD1 2.87Å; R28-N32 WeakPolarHBondContact O-CA 3.09Å; R28-N32 PolarHBondContact O-N 3.02Å; R28-N32 VanDerWaalsContact O-N 3.15Å
33	K	94.3	Very high	91.1	Very high	135 Å²	135	68.1 Å²	68.1	59%	0.587	35%	0.349	S	S	*	.			trans	-119.5	146	-179.3	-71.9	174.8	-171.7	170.4	0	111.4	Y27 R28 D31	Y27-K33 CarbonylContact C-O 3.5Å; Y27-K33 PolarHBondContact O-N 3.37Å; R28-K33 WeakPolarHBondContact CA-O 3.42Å; R28-K33 PolarHBondContact N-O 3.35Å; D31-K33 HydrophobicContact CB-CB 4.19Å; D31-K33 HydrophobicContact CB-CD 3.99Å; D31-K33 HydrophobicContact CB-CG 4.07Å; D31-K33 PolarHBondContact O-N 3.3Å
34	F	93	Very high	90.6	Very high	82 Å²	82	68.2 Å²	68.2	36%	0.36	35%	0.348	S	S	.	.			trans	-129.3	129.4	170.5	174.9	-106.6	0	0	0	109.5	T24 P36 A164 A165	T24-F34 HydrophobicContact CG2-CD2 4.48Å; T24-F34 HydrophobicContact CG2-CE2 4.35Å; F34-P36 HydrophobicContact CE1-CB 3.82Å; F34-P36 HydrophobicContact CE1-CG 4.47Å; F34-P36 HydrophobicContact CZ-CB 4.2Å; F34-A164 HydrophobicContact CD2-CB 4.16Å; F34-A164 WeakPolarHBondContact CD2-O 3.18Å; F34-A164 HydrophobicContact CE2-CB 4.31Å; F34-A165 HydrophobicContact CD1-CB 4.17Å; F34-A165 HydrophobicContact CD2-CB 4.35Å; F34-A165 HydrophobicContact CE1-CB 3.84Å; F34-A165 HydrophobicContact CE2-CB 4.05Å; F34-A165 HydrophobicContact CG-CB 4.4Å; F34-A165 HydrophobicContact CZ-CB 3.78Å
35	N	89	Confident	90.3	Very high	91 Å²	91	69.8 Å²	69.8	49%	0.487	36%	0.355	S	S	.	.			trans	-115.9	115.7	170.6	-174.3	-11.1	0	0	0	108	K37	N35-K37 PolarHBondContact O-N 3.18Å; N35-K37 VanDerWaalsContact OD1-CB 3.24Å; N35-K37 WeakPolarHBondContact OD1-CB 3.28Å; N35-K37 PolarHBondContact OD1-N 3.27Å
36	P	86.1	Confident	89.9	Confident	106 Å²	106	73.2 Å²	73.2	69%	0.688	37%	0.37	S	S	*	.			trans	-68.8	-15.9	179.8	28	-34.8	0	0	0	112.8	F34 F38	F34-P36 HydrophobicContact CE1-CB 3.82Å; F34-P36 HydrophobicContact CE1-CG 4.47Å; F34-P36 HydrophobicContact CZ-CB 4.2Å; P36-F38 PolarHBondContact O-N 3.3Å; P36-F38 VanDerWaalsContact O-N 3.11Å
37	K	86	Confident	89.8	Confident	147 Å²	147	75.4 Å²	75.4	64%	0.639	38%	0.378	S	S	*	.	S	Bend	trans	-68.4	111.4	178.7	-169.9	178.9	-177.8	179.1	0	109.8	N35 I39	N35-K37 PolarHBondContact O-N 3.18Å; N35-K37 VanDerWaalsContact OD1-CB 3.24Å; N35-K37 WeakPolarHBondContact OD1-CB 3.28Å; N35-K37 PolarHBondContact OD1-N 3.27Å; K37-I39 HydrophobicContact CG-CG1 4.43Å; K37-I39 PolarHBondContact O-N 3.46Å
38	F	84.6	Confident	89.7	Confident	127 Å²	127	75.7 Å²	75.7	56%	0.557	38%	0.383	S	S	*	.			trans	-68.6	122.5	172.3	177.7	-111.7	0	0	0	110.6	P36 T40	P36-F38 PolarHBondContact O-N 3.3Å; P36-F38 VanDerWaalsContact O-N 3.11Å; F38-T40 VanDerWaalsContact CE1-OG1 3.22Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å; F38-T40 VanDerWaalsContact CZ-OG1 3.29Å; F38-T40 WeakPolarHBondContact CZ-OG1 3.47Å
39	I	84.1	Confident	89.7	Confident	115 Å²	115	76 Å²	76	59%	0.59	39%	0.385	S	S	*	.			trans	-124.5	126.6	169.5	-59.4	174.3	0	0	0	105.8	K37 T41	K37-I39 HydrophobicContact CG-CG1 4.43Å; K37-I39 PolarHBondContact O-N 3.46Å; I39-T41 PolarHBondContact O-N 3.04Å
40	T	87	Confident	89.6	Confident	50 Å²	50	81.9 Å²	81.9	31%	0.307	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-73.3	122.3	177.7	-58	0	0	0	0	109.9	F38 V42 Q78	F38-T40 VanDerWaalsContact CE1-OG1 3.22Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å; F38-T40 VanDerWaalsContact CZ-OG1 3.29Å; F38-T40 WeakPolarHBondContact CZ-OG1 3.47Å; T40-V42 PolarHBondContact O-N 3.11Å; T40-Q78 HydrophobicContact CG2-CG 4.46Å
41	T	81.1	Confident	89.6	Confident	27 Å²	27	81.7 Å²	81.7	17%	0.166	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-62.6	125.1	170.1	-48.4	0	0	0	0	109.9	T23 I39 D45 D74 A76	T23-T41 PolarHBondContact OG1-OG1 2.94Å; I39-T41 PolarHBondContact O-N 3.04Å; T41-D45 HydrophobicContact CG2-CB 4.38Å; T41-D74 PolarHBondContact OG1-OD2 3.07Å; T41-A76 WeakPolarHBondContact O-CB 3.49Å
42	V	79.9	Confident	89.6	Confident	110 Å²	110	82.8 Å²	82.8	67%	0.667	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-102.6	123.8	173	174.3	0	0	0	0	107.5	T40 I44 F81	T40-V42 PolarHBondContact O-N 3.11Å; V42-I44 PolarHBondContact O-N 2.82Å; V42-F81 HydrophobicContact CG1-CE1 4.22Å; V42-F81 HydrophobicContact CG1-CZ 3.81Å
43	G	81.7	Confident	89.5	Confident	11 Å²	11	78.3 Å²	78.3	11%	0.113	39%	0.389	C	S	.	.	S	Bend	trans	73.3	-124.8	-176.3	0	0	0	0	0	112.4	A76	G43-A76 WeakPolarHBondContact O-CB 3.39Å; G43-A76 PolarHBondContact O-N 2.89Å
44	I	85.8	Confident	89.4	Confident	40 Å²	40	76.3 Å²	76.3	21%	0.205	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.7	-177	-65.7	172.7	0	0	0	108.2	V42 W73 D74 T75 L84 F88	V42-I44 PolarHBondContact O-N 2.82Å; I44-W73 HydrophobicContact CG2-CE3 3.61Å; I44-W73 HydrophobicContact CG2-CZ3 4.23Å; I44-D74 CarbonylContact C-O 3.57Å; I44-D74 VanDerWaalsContact CA-O 3.28Å; I44-D74 WeakPolarHBondContact CA-O 3.41Å; I44-D74 WeakPolarHBondContact CG2-O 3.25Å; I44-T75 HydrophobicContact CG1-CG2 4.49Å; I44-L84 HydrophobicContact CD1-CD1 4.5Å; I44-L84 HydrophobicContact CD1-CD2 4.2Å; I44-L84 HydrophobicContact CD1-CG 3.84Å; I44-L84 HydrophobicContact CG1-CD2 4.13Å; I44-L84 HydrophobicContact CG1-CG 4.3Å; I44-F88 HydrophobicContact CD1-CD1 4.21Å; I44-F88 HydrophobicContact CD1-CD2 3.12Å; I44-F88 HydrophobicContact CD1-CE1 4.22Å; I44-F88 HydrophobicContact CD1-CE2 3.16Å; I44-F88 HydrophobicContact CD1-CG 3.69Å; I44-F88 HydrophobicContact CD1-CZ 3.72Å
45	D	89.7	Confident	89.2	Confident	66 Å²	66	73.5 Å²	73.5	35%	0.353	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	158.3	172.1	-166.7	15.5	0	0	0	109.6	T41 D74	T41-D45 HydrophobicContact CG2-CB 4.38Å; D45-D74 HydrophobicContact CB-CB 4.14Å; D45-D74 PolarHBondContact N-O 3.16Å; D45-D74 PolarHBondContact O-N 3.09Å
46	F	90.3	Very high	88.8	Confident	72 Å²	72	77.5 Å²	77.5	32%	0.316	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.8	-167.9	173.5	-102.1	0	0	0	111.3	E48 Q71 W73	F46-E48 HydrophobicContact CD1-CG 4.46Å; F46-E48 VanDerWaalsContact CE1-CD 3.44Å; F46-E48 HydrophobicContact CE1-CG 3.44Å; F46-E48 VanDerWaalsContact CE1-CG 3.44Å; F46-E48 HydrophobicContact CE2-CG 4.2Å; F46-E48 HydrophobicContact CZ-CG 3.29Å; F46-E48 VanDerWaalsContact CZ-OE1 3.28Å; F46-E48 WeakPolarHBondContact CZ-OE1 3.46Å; F46-Q71 HydrophobicContact CE2-CB 3.79Å; F46-Q71 HydrophobicContact CE2-CG 3.74Å; F46-Q71 HydrophobicContact CZ-CB 4.32Å; F46-Q71 HydrophobicContact CZ-CG 3.79Å; F46-W73 HydrophobicContact CB-CE3 4.35Å; F46-W73 HydrophobicContact CB-CZ3 4.34Å; F46-W73 AromaticContact CD2-CD2 3.71Å; F46-W73 HydrophobicContact CD2-CD2 3.71Å; F46-W73 AromaticContact CD2-CE2 3.56Å; F46-W73 AromaticContact CD2-CE3 3.9Å; F46-W73 HydrophobicContact CD2-CE3 3.9Å; F46-W73 HydrophobicContact CD2-CG 4.33Å; F46-W73 AromaticContact CD2-CH2 3.89Å; F46-W73 HydrophobicContact CD2-CH2 3.89Å; F46-W73 AromaticContact CD2-CZ2 3.66Å; F46-W73 HydrophobicContact CD2-CZ2 3.66Å; F46-W73 AromaticContact CD2-CZ3 3.99Å; F46-W73 HydrophobicContact CD2-CZ3 3.99Å; F46-W73 HydrophobicContact CE2-CD2 4.31Å; F46-W73 AromaticContact CE2-CE2 3.69Å; F46-W73 HydrophobicContact CE2-CH2 4.26Å; F46-W73 AromaticContact CE2-CZ2 3.68Å; F46-W73 HydrophobicContact CE2-CZ2 3.68Å; F46-W73 AromaticContact CE2-NE1 3.89Å; F46-W73 HydrophobicContact CG-CZ3 4.48Å
47	R	93.6	Very high	88.4	Confident	49 Å²	49	73.4 Å²	73.4	19%	0.185	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.7	176.2	-41.9	-151.1	102.3	-171.3	-1	111	Y27 T30 D31 L72	Y27-R47 VanDerWaalsContact CE1-CZ 3.44Å; Y27-R47 VanDerWaalsContact CE1-NH2 3.27Å; Y27-R47 VanDerWaalsContact CE2-NH1 3.35Å; Y27-R47 VanDerWaalsContact CZ-NH1 3.29Å; Y27-R47 VanDerWaalsContact CZ-NH2 3.26Å; Y27-R47 PolarHBondContact OH-NH2 3.2Å; T30-R47 HydrophobicContact CG2-CB 4.17Å; T30-R47 PolarHBondContact OG1-NH1 3.41Å; D31-R47 IonicContact OD2-CZ 3.14Å; D31-R47 IonicContact OD2-NH1 2.66Å; D31-R47 PolarHBondContact OD2-NH1 2.88Å; D31-R47 IonicContact OD2-NH2 3.41Å; R47-L72 HydrophobicContact CB-CB 4.38Å; R47-L72 PolarHBondContact N-O 3.33Å; R47-L72 PolarHBondContact O-N 3.17Å
48	E	95.1	Very high	87.9	Confident	92 Å²	92	72.3 Å²	72.3	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.4	178.6	-68.1	-179.6	129.8	0	0	110.5	F46 H69 L70 Q71	F46-E48 HydrophobicContact CD1-CG 4.46Å; F46-E48 VanDerWaalsContact CE1-CD 3.44Å; F46-E48 HydrophobicContact CE1-CG 3.44Å; F46-E48 VanDerWaalsContact CE1-CG 3.44Å; F46-E48 HydrophobicContact CE2-CG 4.2Å; F46-E48 HydrophobicContact CZ-CG 3.29Å; F46-E48 VanDerWaalsContact CZ-OE1 3.28Å; F46-E48 WeakPolarHBondContact CZ-OE1 3.46Å; E48-H69 IonicContact OE1-CE1 3.48Å; E48-H69 IonicContact OE1-NE2 2.82Å; E48-H69 PolarHBondContact OE1-NE2 3.5Å; E48-H69 IonicContact OE2-NE2 3.37Å; E48-L70 VanDerWaalsContact CA-O 3.25Å; E48-L70 WeakPolarHBondContact CA-O 3.48Å; E48-Q71 HydrophobicContact CG-CG 4.23Å; E48-Q71 PolarHBondContact OE1-NE2 2.83Å
49	K	96.3	Very high	87.8	Confident	47 Å²	47	72.6 Å²	72.6	20%	0.204	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130	171.3	-167.3	-179.2	-177.6	179.3	0	109.2	Y29 T30 V51 L70 L72 E171	Y29-K49 HydrophobicContact CD1-CD 3.9Å; Y29-K49 HydrophobicContact CE1-CB 4.39Å; Y29-K49 HydrophobicContact CE1-CD 3.41Å; Y29-K49 VanDerWaalsContact CE1-CD 3.41Å; Y29-K49 HydrophobicContact CE1-CG 4.48Å; Y29-K49 HydrophobicContact CE2-CD 4.37Å; Y29-K49 PolarHBondContact O-NZ 2.82Å; T30-K49 HydrophobicContact CG2-CB 4.34Å; K49-V51 HydrophobicContact CD-CG1 4.08Å; K49-V51 HydrophobicContact CG-CG1 4.06Å; K49-L70 PolarHBondContact N-O 2.89Å; K49-L70 WeakPolarHBondContact O-CA 3.3Å; K49-L70 VanDerWaalsContact O-CB 3.31Å; K49-L70 WeakPolarHBondContact O-CB 3.41Å; K49-L70 PolarHBondContact O-N 3.44Å; K49-L72 HydrophobicContact CB-CD1 4.48Å; K49-E171 IonicContact NZ-OE1 3.5Å
50	R	95.8	Very high	87.4	Confident	135 Å²	135	70.2 Å²	70.2	51%	0.509	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.9	170.6	-64	-178.3	-179.6	-173.3	-1.9	108.6	D3 V68	D3-R50 IonicContact OD1-NH2 2.67Å; D3-R50 PolarHBondContact OD1-NH2 3.26Å; D3-R50 IonicContact OD2-NH2 3.96Å; D3-R50 PolarHBondContact OD2-NH2 3.46Å; R50-V68 WeakPolarHBondContact CA-O 3.43Å
51	V	96.5	Very high	87.2	Confident	28 Å²	28	70.4 Å²	70.4	17%	0.17	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	162.3	178.6	-57.6	0	0	0	0	110	K49 V68 L70 L178	K49-V51 HydrophobicContact CD-CG1 4.08Å; K49-V51 HydrophobicContact CG-CG1 4.06Å; V51-V68 HydrophobicContact CG2-CB 3.85Å; V51-V68 HydrophobicContact CG2-CG1 4.34Å; V51-V68 PolarHBondContact N-O 3.5Å; V51-V68 PolarHBondContact O-N 3.45Å; V51-L70 HydrophobicContact CG1-CD1 4Å; V51-L70 HydrophobicContact CG2-CD1 3.84Å; V51-L70 HydrophobicContact CG2-CG 4Å; V51-L178 HydrophobicContact CG2-CD2 3.76Å
52	V	95.3	Very high	87	Confident	90 Å²	90	74.1 Å²	74.1	55%	0.545	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.9	170.9	179.6	0	0	0	0	107.5	A65 F66	V52-A65 HydrophobicContact CG1-CB 3.96Å; V52-F66 CarbonylContact C-O 3.58Å; V52-F66 WeakPolarHBondContact CA-O 3.48Å
53	Y	95	Very high	87.2	Confident	25 Å²	25	70.3 Å²	70.3	10%	0.098	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.8	174.1	177.6	-101	0	0	0	109.1	T55 F66 L178 D179 M182	Y53-T55 HydrophobicContact CD1-CG2 4.24Å; Y53-T55 HydrophobicContact CE1-CG2 3.8Å; Y53-F66 HydrophobicContact CD1-CD2 4.37Å; Y53-F66 PolarHBondContact N-O 3.43Å; Y53-F66 PolarHBondContact O-N 2.79Å; Y53-L178 HydrophobicContact CD2-CD2 4.32Å; Y53-L178 HydrophobicContact CD2-CG 4.2Å; Y53-D179 HydrophobicContact CE2-CB 4.05Å; Y53-D179 PolarHBondContact OH-OD1 3.26Å; Y53-M182 HydrophobicContact CD1-CB 4.05Å; Y53-M182 HydrophobicContact CD1-CE 3.47Å; Y53-M182 VanDerWaalsContact CD1-CE 3.47Å; Y53-M182 HydrophobicContact CD1-CG 3.77Å; Y53-M182 HydrophobicContact CD1-SD 4.43Å; Y53-M182 HydrophobicContact CD2-CG 4.24Å; Y53-M182 HydrophobicContact CE1-CB 3.49Å; Y53-M182 VanDerWaalsContact CE1-CB 3.49Å; Y53-M182 HydrophobicContact CE1-CE 3.94Å; Y53-M182 HydrophobicContact CE1-CG 3.75Å; Y53-M182 HydrophobicContact CE2-CB 4.29Å; Y53-M182 HydrophobicContact CE2-CG 4.27Å; Y53-M182 HydrophobicContact CG-CE 4.22Å; Y53-M182 HydrophobicContact CG-CG 4Å
54	D	92.1	Very high	87.5	Confident	92 Å²	92	75.8 Å²	75.8	49%	0.492	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.3	177.6	-60.7	-60.1	0	0	0	109.9	A65	D54-A65 WeakPolarHBondContact OD1-CB 3.28Å
55	T	87.1	Confident	87.8	Confident	23 Å²	23	76.3 Å²	76.3	14%	0.141	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	155.5	170.6	67.7	0	0	0	0	110.7	Y53 G63 K64 F66 E186	Y53-T55 HydrophobicContact CD1-CG2 4.24Å; Y53-T55 HydrophobicContact CE1-CG2 3.8Å; T55-G63 WeakPolarHBondContact O-CA 3.47Å; T55-G63 PolarHBondContact O-N 2.81Å; T55-G63 WeakPolarHBondContact OG1-CA 3.47Å; T55-K64 PolarHBondContact N-O 2.89Å; T55-K64 PolarHBondContact OG1-N 2.85Å; T55-K64 PolarHBondContact OG1-O 2.88Å; T55-F66 HydrophobicContact CG2-CD2 3.98Å; T55-F66 HydrophobicContact CG2-CE2 3.62Å; T55-E186 VanDerWaalsContact CG2-OE1 3.3Å; T55-E186 WeakPolarHBondContact CG2-OE1 3.46Å
56	Q	82.6	Confident	88	Confident	175 Å²	175	74.1 Å²	74.1	82%	0.818	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.6	169.2	-64.5	-174.8	23.5	0	0	109
57	G	76.2	Confident	88.3	Confident	21 Å²	21	75 Å²	75	22%	0.216	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-65.6	152.8	170.2	0	0	0	0	0	111	D59 G60 S61	G57-D59 PolarHBondContact O-N 2.75Å; G57-D59 VanDerWaalsContact O-N 3.11Å; G57-G60 PolarHBondContact O-N 2.83Å; G57-S61 WeakPolarHBondContact CA-O 3.36Å; G57-S61 PolarHBondContact N-O 3.26Å
58	A	76.2	Confident	88.4	Confident	123 Å²	123	72.8 Å²	72.8	100%	1.017	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.6	-178.5	0	0	0	0	0	113.7
59	D	81.3	Confident	88.5	Confident	133 Å²	133	69 Å²	69	71%	0.711	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	8.3	178.4	63.1	-12.9	0	0	0	113.4	G57 S61	G57-D59 PolarHBondContact O-N 2.75Å; G57-D59 VanDerWaalsContact O-N 3.11Å; D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.25Å; D59-S61 PolarHBondContact OD1-N 2.82Å; D59-S61 PolarHBondContact OD1-OG 2.77Å
60	G	76.1	Confident	88.6	Confident	65 Å²	65	66.8 Å²	66.8	67%	0.67	40%	0.397	S	S	*	.	S	Bend	trans	80.4	4.9	-174.6	0	0	0	0	0	114.2	G57	G57-G60 PolarHBondContact O-N 2.83Å
61	S	82.8	Confident	88.6	Confident	55 Å²	55	61.7 Å²	61.7	39%	0.385	38%	0.379	S	S	.	.	S	Bend	trans	-69	159.4	170.7	64.8	0	0	0	0	111.8	G57 D59 G63	G57-S61 WeakPolarHBondContact CA-O 3.36Å; G57-S61 PolarHBondContact N-O 3.26Å; D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.25Å; D59-S61 PolarHBondContact OD1-N 2.82Å; D59-S61 PolarHBondContact OD1-OG 2.77Å; S61-G63 PolarHBondContact O-N 2.95Å
62	S	78.5	Confident	88.6	Confident	105 Å²	105	60.4 Å²	60.4	73%	0.734	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.8	169.9	-172.7	0	0	0	0	108.4
63	G	82.3	Confident	88.6	Confident	29 Å²	29	58.7 Å²	58.7	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-149.8	-179.5	0	0	0	0	0	112.2	T55 S61	T55-G63 WeakPolarHBondContact O-CA 3.47Å; T55-G63 PolarHBondContact O-N 2.81Å; T55-G63 WeakPolarHBondContact OG1-CA 3.47Å; S61-G63 PolarHBondContact O-N 2.95Å
64	K	88.6	Confident	88.5	Confident	127 Å²	127	57.6 Å²	57.6	55%	0.552	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.5	179.2	-175	170.7	172.4	-172.9	0	109.8	T55 F66	T55-K64 PolarHBondContact N-O 2.89Å; T55-K64 PolarHBondContact OG1-N 2.85Å; T55-K64 PolarHBondContact OG1-O 2.88Å; K64-F66 HydrophobicContact CB-CE2 4.08Å; K64-F66 HydrophobicContact CB-CZ 4.2Å; K64-F66 HydrophobicContact CD-CD1 4.38Å; K64-F66 HydrophobicContact CD-CE1 3.62Å; K64-F66 HydrophobicContact CD-CE2 4.26Å; K64-F66 HydrophobicContact CD-CZ 3.55Å; K64-F66 VanDerWaalsContact CE-CE1 3.41Å; K64-F66 HydrophobicContact CG-CD1 4.47Å; K64-F66 HydrophobicContact CG-CE1 4.09Å; K64-F66 HydrophobicContact CG-CE2 4.11Å; K64-F66 HydrophobicContact CG-CZ 3.91Å
65	A	91.5	Very high	88.3	Confident	51 Å²	51	53.2 Å²	53.2	42%	0.421	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.8	168.3	0	0	0	0	0	110	V52 D54	V52-A65 HydrophobicContact CG1-CB 3.96Å; D54-A65 WeakPolarHBondContact OD1-CB 3.28Å
66	F	94.2	Very high	88.1	Confident	19 Å²	19	52.1 Å²	52.1	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.5	175.2	-65	-77.4	0	0	0	110.5	D7 Y8 V52 Y53 T55 K64 V68 M182	D7-F66 HydrophobicContact CB-CB 4.34Å; D7-F66 HydrophobicContact CB-CD1 3.96Å; D7-F66 WeakPolarHBondContact OD2-CA 3.14Å; Y8-F66 HydrophobicContact CD2-CB 4.06Å; Y8-F66 HydrophobicContact CD2-CD1 4.18Å; Y8-F66 HydrophobicContact CD2-CG 4.22Å; Y8-F66 HydrophobicContact CE2-CB 4.08Å; Y8-F66 AromaticContact CE2-CD1 3.45Å; Y8-F66 HydrophobicContact CE2-CD1 3.45Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.45Å; Y8-F66 HydrophobicContact CE2-CD2 4.32Å; Y8-F66 AromaticContact CE2-CE1 3.77Å; Y8-F66 HydrophobicContact CE2-CE1 3.77Å; Y8-F66 AromaticContact CE2-CG 3.72Å; Y8-F66 HydrophobicContact CE2-CG 3.72Å; Y8-F66 HydrophobicContact CE2-CZ 4.33Å; V52-F66 CarbonylContact C-O 3.58Å; V52-F66 WeakPolarHBondContact CA-O 3.48Å; Y53-F66 HydrophobicContact CD1-CD2 4.37Å; Y53-F66 PolarHBondContact N-O 3.43Å; Y53-F66 PolarHBondContact O-N 2.79Å; T55-F66 HydrophobicContact CG2-CD2 3.98Å; T55-F66 HydrophobicContact CG2-CE2 3.62Å; K64-F66 HydrophobicContact CB-CE2 4.08Å; K64-F66 HydrophobicContact CB-CZ 4.2Å; K64-F66 HydrophobicContact CD-CD1 4.38Å; K64-F66 HydrophobicContact CD-CE1 3.62Å; K64-F66 HydrophobicContact CD-CE2 4.26Å; K64-F66 HydrophobicContact CD-CZ 3.55Å; K64-F66 VanDerWaalsContact CE-CE1 3.41Å; K64-F66 HydrophobicContact CG-CD1 4.47Å; K64-F66 HydrophobicContact CG-CE1 4.09Å; K64-F66 HydrophobicContact CG-CE2 4.11Å; K64-F66 HydrophobicContact CG-CZ 3.91Å; F66-V68 PolarHBondContact O-N 2.97Å; F66-M182 HydrophobicContact CB-CE 4.31Å; F66-M182 HydrophobicContact CD2-CE 4.08Å; F66-M182 HydrophobicContact CG-CE 4.34Å
67	K	96.2	Very high	87.7	Confident	91 Å²	91	44.4 Å²	44.4	40%	0.396	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.6	169	-66	-174.9	-174.1	-176.9	0	108.5	D5 D7 Y8	D5-K67 WeakPolarHBondContact O-CD 3.5Å; D5-K67 IonicContact OD1-NZ 2.63Å; D5-K67 PolarHBondContact OD1-NZ 3.28Å; D5-K67 IonicContact OD2-NZ 3.81Å; D5-K67 PolarHBondContact OD2-NZ 3.27Å; D5-K67 VanDerWaalsContact OD2-NZ 3.17Å; D7-K67 PolarHBondContact N-O 3.2Å; D7-K67 PolarHBondContact OD2-N 2.82Å; Y8-K67 PolarHBondContact N-O 2.88Å
68	V	97.4	Very high	87.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	179.9	-178.9	0	0	0	0	109.5	Y8 I10 R50 V51 F66 L70 L178 M182	Y8-V68 WeakPolarHBondContact O-CA 3.14Å; I10-V68 HydrophobicContact CB-CG1 4.21Å; I10-V68 HydrophobicContact CD1-CG1 3.84Å; I10-V68 HydrophobicContact CG1-CG1 4.13Å; R50-V68 WeakPolarHBondContact CA-O 3.43Å; V51-V68 HydrophobicContact CG2-CB 3.85Å; V51-V68 HydrophobicContact CG2-CG1 4.34Å; V51-V68 PolarHBondContact N-O 3.5Å; V51-V68 PolarHBondContact O-N 3.45Å; F66-V68 PolarHBondContact O-N 2.97Å; V68-L70 HydrophobicContact CG1-CD2 3.72Å; V68-L70 HydrophobicContact CG1-CG 4.17Å; V68-L178 HydrophobicContact CG1-CD1 4.08Å; V68-M182 HydrophobicContact CG2-SD 4.47Å
69	H	97.1	Very high	87.9	Confident	14 Å²	14	46 Å²	46	7%	0.065	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.8	168.2	-165.2	174.1	0	0	0	108.8	Y6 Y8 L9 I10 E48	Y6-H69 HydrophobicContact CD1-CB 3.66Å; Y6-H69 AromaticContact CD1-ND1 3.64Å; Y6-H69 HydrophobicContact CD2-CB 3.99Å; Y6-H69 HydrophobicContact CE1-CB 4.11Å; Y6-H69 AromaticContact CE1-ND1 3.5Å; Y6-H69 HydrophobicContact CE2-CB 4.42Å; Y6-H69 HydrophobicContact CG-CB 3.58Å; Y8-H69 PolarHBondContact O-N 3.12Å; L9-H69 WeakPolarHBondContact CA-O 3.44Å; L9-H69 HydrophobicContact CD1-CB 3.99Å; I10-H69 PolarHBondContact N-O 3.33Å; E48-H69 IonicContact OE1-CE1 3.48Å; E48-H69 IonicContact OE1-NE2 2.82Å; E48-H69 PolarHBondContact OE1-NE2 3.5Å; E48-H69 IonicContact OE2-NE2 3.37Å
70	L	97.4	Very high	87.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.5	176.2	-62.8	177.5	0	0	0	110.4	I10 L12 Y29 E48 K49 V51 V68 L72 V174 L178	I10-L70 HydrophobicContact CB-CD2 3.97Å; I10-L70 HydrophobicContact CG2-CD2 4.05Å; I10-L70 WeakPolarHBondContact O-CA 3.33Å; L12-L70 HydrophobicContact CD1-CD2 4.25Å; Y29-L70 HydrophobicContact CE1-CD1 4.11Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.4Å; E48-L70 VanDerWaalsContact CA-O 3.25Å; E48-L70 WeakPolarHBondContact CA-O 3.48Å; K49-L70 PolarHBondContact N-O 2.89Å; K49-L70 WeakPolarHBondContact O-CA 3.3Å; K49-L70 VanDerWaalsContact O-CB 3.31Å; K49-L70 WeakPolarHBondContact O-CB 3.41Å; K49-L70 PolarHBondContact O-N 3.44Å; V51-L70 HydrophobicContact CG1-CD1 4Å; V51-L70 HydrophobicContact CG2-CD1 3.84Å; V51-L70 HydrophobicContact CG2-CG 4Å; V68-L70 HydrophobicContact CG1-CD2 3.72Å; V68-L70 HydrophobicContact CG1-CG 4.17Å; L70-L72 HydrophobicContact CB-CD2 4.46Å; L70-L72 HydrophobicContact CB-CG 4.49Å; L70-V174 HydrophobicContact CD1-CG1 4.4Å; L70-L178 HydrophobicContact CD2-CD1 4.15Å
71	Q	96.7	Very high	87.9	Confident	27 Å²	27	48 Å²	48	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.6	166.9	-76.3	-167.3	-18.9	0	0	109	L9 I10 K11 L12 F46 E48	L9-Q71 HydrophobicContact CD1-CG 3.81Å; I10-Q71 PolarHBondContact O-N 2.91Å; K11-Q71 CarbonylContact C-O 3.55Å; K11-Q71 WeakPolarHBondContact CA-O 3.39Å; K11-Q71 VanDerWaalsContact CE-OE1 3.23Å; K11-Q71 HydrophobicContact CG-CB 4Å; L12-Q71 PolarHBondContact N-O 3.06Å; F46-Q71 HydrophobicContact CE2-CB 3.79Å; F46-Q71 HydrophobicContact CE2-CG 3.74Å; F46-Q71 HydrophobicContact CZ-CB 4.32Å; F46-Q71 HydrophobicContact CZ-CG 3.79Å; E48-Q71 HydrophobicContact CG-CG 4.23Å; E48-Q71 PolarHBondContact OE1-NE2 2.83Å
72	L	96.6	Very high	87.6	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.7	-175	-57.8	168.4	0	0	0	108.8	L12 L26 Y29 T30 R47 K49 L70	L12-L72 HydrophobicContact CB-CD2 4.03Å; L12-L72 HydrophobicContact CD1-CD2 3.85Å; L12-L72 HydrophobicContact CG-CD2 4.28Å; L26-L72 HydrophobicContact CD2-CB 4.12Å; L26-L72 HydrophobicContact CD2-CD1 4.34Å; L26-L72 HydrophobicContact CD2-CD2 4.35Å; Y29-L72 HydrophobicContact CD1-CD1 3.68Å; Y29-L72 HydrophobicContact CE1-CD1 3.95Å; T30-L72 HydrophobicContact CG2-CD1 3.4Å; T30-L72 VanDerWaalsContact CG2-CD1 3.4Å; R47-L72 HydrophobicContact CB-CB 4.38Å; R47-L72 PolarHBondContact N-O 3.33Å; R47-L72 PolarHBondContact O-N 3.17Å; K49-L72 HydrophobicContact CB-CD1 4.48Å; L70-L72 HydrophobicContact CB-CD2 4.46Å; L70-L72 HydrophobicContact CB-CG 4.49Å
73	W	94.8	Very high	87.7	Confident	55 Å²	55	50.9 Å²	50.9	21%	0.208	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.3	-177	-65.6	85.8	0	0	0	109.6	L12 L13 A14 I44 F46 F88	L12-W73 PolarHBondContact O-N 2.8Å; L13-W73 HydrophobicContact CD1-CB 3.28Å; L13-W73 HydrophobicContact CD1-CG 4.25Å; A14-W73 PolarHBondContact N-O 3.13Å; I44-W73 HydrophobicContact CG2-CE3 3.61Å; I44-W73 HydrophobicContact CG2-CZ3 4.23Å; F46-W73 HydrophobicContact CB-CE3 4.35Å; F46-W73 HydrophobicContact CB-CZ3 4.34Å; F46-W73 AromaticContact CD2-CD2 3.71Å; F46-W73 HydrophobicContact CD2-CD2 3.71Å; F46-W73 AromaticContact CD2-CE2 3.56Å; F46-W73 AromaticContact CD2-CE3 3.9Å; F46-W73 HydrophobicContact CD2-CE3 3.9Å; F46-W73 HydrophobicContact CD2-CG 4.33Å; F46-W73 AromaticContact CD2-CH2 3.89Å; F46-W73 HydrophobicContact CD2-CH2 3.89Å; F46-W73 AromaticContact CD2-CZ2 3.66Å; F46-W73 HydrophobicContact CD2-CZ2 3.66Å; F46-W73 AromaticContact CD2-CZ3 3.99Å; F46-W73 HydrophobicContact CD2-CZ3 3.99Å; F46-W73 HydrophobicContact CE2-CD2 4.31Å; F46-W73 AromaticContact CE2-CE2 3.69Å; F46-W73 HydrophobicContact CE2-CH2 4.26Å; F46-W73 AromaticContact CE2-CZ2 3.68Å; F46-W73 HydrophobicContact CE2-CZ2 3.68Å; F46-W73 AromaticContact CE2-NE1 3.89Å; F46-W73 HydrophobicContact CG-CZ3 4.48Å; W73-F88 HydrophobicContact CD2-CD1 4.29Å; W73-F88 HydrophobicContact CD2-CE1 4.49Å; W73-F88 AromaticContact CE3-CD1 3.93Å; W73-F88 HydrophobicContact CE3-CD1 3.93Å; W73-F88 AromaticContact CE3-CE1 3.77Å; W73-F88 HydrophobicContact CE3-CE1 3.77Å; W73-F88 HydrophobicContact CH2-CD1 4.49Å; W73-F88 AromaticContact CH2-CE1 3.91Å; W73-F88 HydrophobicContact CH2-CE1 3.91Å; W73-F88 HydrophobicContact CZ3-CD1 4.04Å; W73-F88 AromaticContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CE1 3.43Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CZ 4.36Å
74	D	92.5	Very high	87.6	Confident	2 Å²	2	53 Å²	53	1%	0.011	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.1	174	-172.8	28	0	0	0	109.6	K22 T23 L26 T41 I44 D45	K22-D74 VanDerWaalsContact CB-OD1 3.27Å; K22-D74 WeakPolarHBondContact CB-OD1 3.32Å; T23-D74 WeakPolarHBondContact CA-OD2 3.34Å; T23-D74 VanDerWaalsContact CB-OD2 3.26Å; T23-D74 WeakPolarHBondContact CB-OD2 3.12Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.1Å; T23-D74 PolarHBondContact OG1-OD2 3.32Å; L26-D74 HydrophobicContact CD1-CB 3.62Å; T41-D74 PolarHBondContact OG1-OD2 3.07Å; I44-D74 CarbonylContact C-O 3.57Å; I44-D74 VanDerWaalsContact CA-O 3.28Å; I44-D74 WeakPolarHBondContact CA-O 3.41Å; I44-D74 WeakPolarHBondContact CG2-O 3.25Å; D45-D74 HydrophobicContact CB-CB 4.14Å; D45-D74 PolarHBondContact N-O 3.16Å; D45-D74 PolarHBondContact O-N 3.09Å
75	T	87.4	Confident	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.5	-177.4	65.3	0	0	0	0	112.2	L13 A14 L15 K22 I44 G77 T85	L13-T75 HydrophobicContact CD1-CG2 3.27Å; L13-T75 HydrophobicContact CD2-CG2 4.25Å; L13-T75 HydrophobicContact CG-CG2 3.74Å; A14-T75 WeakPolarHBondContact O-CG2 3.47Å; A14-T75 PolarHBondContact O-OG1 2.92Å; L15-T75 HydrophobicContact CD2-CG2 4.01Å; K22-T75 WeakPolarHBondContact CE-O 3.44Å; I44-T75 HydrophobicContact CG1-CG2 4.49Å; T75-G77 PolarHBondContact O-N 3.42Å; T75-T85 HydrophobicContact CG2-CG2 4.08Å
76	A	84.9	Confident	86.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-62.4	130.4	164.5	0	0	0	0	0	110.2	T41 G43 Q78 F81	T41-A76 WeakPolarHBondContact O-CB 3.49Å; G43-A76 WeakPolarHBondContact O-CB 3.39Å; G43-A76 PolarHBondContact O-N 2.89Å; A76-Q78 VanDerWaalsContact C-N 3.34Å; A76-F81 HydrophobicContact CB-CB 3.8Å; A76-F81 HydrophobicContact CB-CD2 3.53Å; A76-F81 HydrophobicContact CB-CE2 4.39Å; A76-F81 HydrophobicContact CB-CG 3.87Å
77	G	74	Confident	86.1	Confident	12 Å²	12	48 Å²	48	12%	0.124	24%	0.236	C	C	.	.			trans	-89.2	5.6	176.9	0	0	0	0	0	114.5	G16 S18 T75	G16-G77 WeakPolarHBondContact O-CA 3.38Å; S18-G77 PolarHBondContact N-O 3.24Å; T75-G77 PolarHBondContact O-N 3.42Å
78	Q	79.9	Confident	85.5	Confident	41 Å²	41	46.2 Å²	46.2	19%	0.192	23%	0.228	C	C	.	.	S	Bend	trans	-85.6	141.5	176.4	-61.1	-173.5	32.6	0	0	110.8	T40 A76 R80 F81	T40-Q78 HydrophobicContact CG2-CG 4.46Å; A76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.02Å; Q78-F81 HydrophobicContact CB-CD2 4Å; Q78-F81 HydrophobicContact CB-CE2 4.47Å; Q78-F81 PolarHBondContact O-N 2.96Å
79	E	75.1	Confident	85	Confident	136 Å²	136	46.1 Å²	46.1	64%	0.636	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-55.2	-36.1	177.5	71.6	-61.8	149.8	0	0	113.3	F81 R82	E79-F81 PolarHBondContact O-N 3.05Å; E79-F81 VanDerWaalsContact O-N 3.16Å; E79-R82 WeakPolarHBondContact O-CB 3.3Å; E79-R82 PolarHBondContact O-N 3.35Å
80	R	78.3	Confident	84.3	Confident	188 Å²	188	53.8 Å²	53.8	71%	0.709	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20	178.5	-70.9	-177.6	-63.6	164.2	4.3	113.9	Q78	Q78-R80 PolarHBondContact O-N 3.02Å
81	F	79.5	Confident	83.8	Confident	53 Å²	53	58.6 Å²	58.6	23%	0.232	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-99.1	5.2	175.9	-61.3	-65.6	0	0	0	113.2	V42 A76 Q78 E79 S83 L84 T85	V42-F81 HydrophobicContact CG1-CE1 4.22Å; V42-F81 HydrophobicContact CG1-CZ 3.81Å; A76-F81 HydrophobicContact CB-CB 3.8Å; A76-F81 HydrophobicContact CB-CD2 3.53Å; A76-F81 HydrophobicContact CB-CE2 4.39Å; A76-F81 HydrophobicContact CB-CG 3.87Å; Q78-F81 HydrophobicContact CB-CD2 4Å; Q78-F81 HydrophobicContact CB-CE2 4.47Å; Q78-F81 PolarHBondContact O-N 2.96Å; E79-F81 PolarHBondContact O-N 3.05Å; E79-F81 VanDerWaalsContact O-N 3.16Å; F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 3.16Å; F81-L84 WeakPolarHBondContact O-CB 3.36Å; F81-L84 PolarHBondContact O-N 3.23Å; F81-T85 PolarHBondContact O-N 2.94Å; F81-T85 PolarHBondContact O-OG1 2.97Å
82	R	77.9	Confident	83.6	Confident	119 Å²	119	57.5 Å²	57.5	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-53.5	-44.4	-174.2	-176	-176.6	-178.9	108	-8.9	113.4	E79 L84 T85 T86 Q116	E79-R82 WeakPolarHBondContact O-CB 3.3Å; E79-R82 PolarHBondContact O-N 3.35Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.36Å; R82-T85 PolarHBondContact O-N 3.16Å; R82-T86 HydrophobicContact CG-CG2 4.44Å; R82-T86 WeakPolarHBondContact O-CG2 3.31Å; R82-T86 PolarHBondContact O-N 3.19Å; R82-T86 PolarHBondContact O-OG1 3.16Å; R82-T86 VanDerWaalsContact O-OG1 3.11Å; R82-Q116 VanDerWaalsContact NH1-OE1 3.11Å
83	S	80.3	Confident	83.5	Confident	101 Å²	101	59.5 Å²	59.5	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-61.8	-37.6	179.4	-58.3	0	0	0	0	112.7	F81 T86 A87	F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 3.16Å; S83-T86 WeakPolarHBondContact CA-OG1 3.49Å; S83-T86 PolarHBondContact O-OG1 3.03Å; S83-A87 PolarHBondContact O-N 3.21Å
84	L	79.7	Confident	83.5	Confident	74 Å²	74	56.9 Å²	56.9	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-49.5	174.7	-177.9	67.1	0	0	0	109.7	I44 F81 R82 T86 A87 F88	I44-L84 HydrophobicContact CD1-CD1 4.5Å; I44-L84 HydrophobicContact CD1-CD2 4.2Å; I44-L84 HydrophobicContact CD1-CG 3.84Å; I44-L84 HydrophobicContact CG1-CD2 4.13Å; I44-L84 HydrophobicContact CG1-CG 4.3Å; F81-L84 WeakPolarHBondContact O-CB 3.36Å; F81-L84 PolarHBondContact O-N 3.23Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.36Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.33Å; L84-A87 WeakPolarHBondContact O-CB 3.2Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-A87 VanDerWaalsContact O-N 3.1Å; L84-F88 HydrophobicContact CD1-CE2 3.99Å; L84-F88 HydrophobicContact CG-CE2 4.41Å; L84-F88 VanDerWaalsContact O-CD2 3.3Å; L84-F88 WeakPolarHBondContact O-CD2 3.44Å
85	T	79.8	Confident	83.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56	-45	178.3	-60.4	0	0	0	0	112.3	L15 T75 F81 R82 A87 F88 F89 W113	L15-T85 HydrophobicContact CD2-CG2 3.75Å; T75-T85 HydrophobicContact CG2-CG2 4.08Å; F81-T85 PolarHBondContact O-N 2.94Å; F81-T85 PolarHBondContact O-OG1 2.97Å; R82-T85 PolarHBondContact O-N 3.16Å; T85-A87 VanDerWaalsContact C-N 3.25Å; T85-A87 PolarHBondContact O-N 3.36Å; T85-F88 PolarHBondContact O-N 3.18Å; T85-F89 HydrophobicContact CG2-CE1 3.52Å; T85-F89 HydrophobicContact CG2-CZ 4.07Å; T85-F89 WeakPolarHBondContact O-CD1 3.19Å; T85-F89 WeakPolarHBondContact O-CE1 3.39Å; T85-W113 HydrophobicContact CG2-CZ3 4.13Å
86	T	80.2	Confident	84.3	Confident	33 Å²	33	56.9 Å²	56.9	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-26.7	179.2	48.7	0	0	0	0	113.8	R82 S83 L84 F88 F89	R82-T86 HydrophobicContact CG-CG2 4.44Å; R82-T86 WeakPolarHBondContact O-CG2 3.31Å; R82-T86 PolarHBondContact O-N 3.19Å; R82-T86 PolarHBondContact O-OG1 3.16Å; R82-T86 VanDerWaalsContact O-OG1 3.11Å; S83-T86 WeakPolarHBondContact CA-OG1 3.49Å; S83-T86 PolarHBondContact O-OG1 3.03Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.33Å; T86-F88 PolarHBondContact O-N 2.99Å; T86-F89 PolarHBondContact O-N 3.35Å
87	A	83	Confident	84.9	Confident	59 Å²	59	56.9 Å²	56.9	49%	0.488	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-29.1	177.9	0	0	0	0	0	112.2	S83 L84 T85	S83-A87 PolarHBondContact O-N 3.21Å; L84-A87 WeakPolarHBondContact O-CB 3.2Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-A87 VanDerWaalsContact O-N 3.1Å; T85-A87 VanDerWaalsContact C-N 3.25Å; T85-A87 PolarHBondContact O-N 3.36Å
88	F	84.1	Confident	86.1	Confident	53 Å²	53	56.4 Å²	56.4	23%	0.232	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.7	-178.8	-72.2	-102.3	0	0	0	113.3	L13 I44 W73 L84 T85 T86 R90 D91 A92	L13-F88 HydrophobicContact CD1-CB 4.27Å; L13-F88 HydrophobicContact CD2-CB 4.25Å; I44-F88 HydrophobicContact CD1-CD1 4.21Å; I44-F88 HydrophobicContact CD1-CD2 3.12Å; I44-F88 HydrophobicContact CD1-CE1 4.22Å; I44-F88 HydrophobicContact CD1-CE2 3.16Å; I44-F88 HydrophobicContact CD1-CG 3.69Å; I44-F88 HydrophobicContact CD1-CZ 3.72Å; W73-F88 HydrophobicContact CD2-CD1 4.29Å; W73-F88 HydrophobicContact CD2-CE1 4.49Å; W73-F88 AromaticContact CE3-CD1 3.93Å; W73-F88 HydrophobicContact CE3-CD1 3.93Å; W73-F88 AromaticContact CE3-CE1 3.77Å; W73-F88 HydrophobicContact CE3-CE1 3.77Å; W73-F88 HydrophobicContact CH2-CD1 4.49Å; W73-F88 AromaticContact CH2-CE1 3.91Å; W73-F88 HydrophobicContact CH2-CE1 3.91Å; W73-F88 HydrophobicContact CZ3-CD1 4.04Å; W73-F88 AromaticContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CE1 3.43Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CZ 4.36Å; L84-F88 HydrophobicContact CD1-CE2 3.99Å; L84-F88 HydrophobicContact CG-CE2 4.41Å; L84-F88 VanDerWaalsContact O-CD2 3.3Å; L84-F88 WeakPolarHBondContact O-CD2 3.44Å; T85-F88 PolarHBondContact O-N 3.18Å; T86-F88 PolarHBondContact O-N 2.99Å; F88-R90 VanDerWaalsContact C-N 3.27Å; F88-R90 PolarHBondContact O-N 2.84Å; F88-D91 PolarHBondContact O-N 3Å; F88-A92 PolarHBondContact O-N 2.8Å
89	F	84.9	Confident	87	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.2	-177.6	-76.5	20	0	0	0	112.1	L13 L15 T85 T86 D91 F95 W113 Q116 L117 N120	L13-F89 HydrophobicContact CD2-CD1 3.49Å; L13-F89 VanDerWaalsContact CD2-CD1 3.49Å; L13-F89 HydrophobicContact CD2-CE1 3.73Å; L15-F89 HydrophobicContact CD1-CE1 3.8Å; L15-F89 HydrophobicContact CD1-CE2 4.43Å; L15-F89 HydrophobicContact CD1-CZ 3.7Å; L15-F89 HydrophobicContact CD2-CE1 3.56Å; L15-F89 HydrophobicContact CD2-CZ 3.96Å; L15-F89 HydrophobicContact CG-CE1 4.35Å; T85-F89 HydrophobicContact CG2-CE1 3.52Å; T85-F89 HydrophobicContact CG2-CZ 4.07Å; T85-F89 WeakPolarHBondContact O-CD1 3.19Å; T85-F89 WeakPolarHBondContact O-CE1 3.39Å; T86-F89 PolarHBondContact O-N 3.35Å; F89-D91 VanDerWaalsContact C-N 3.32Å; F89-D91 PolarHBondContact O-N 2.89Å; F89-F95 HydrophobicContact CB-CE1 4.49Å; F89-F95 HydrophobicContact CD1-CE1 4.34Å; F89-F95 HydrophobicContact CG-CE1 4.35Å; F89-W113 HydrophobicContact CZ-CZ3 4.48Å; F89-Q116 HydrophobicContact CE2-CB 3.95Å; F89-L117 HydrophobicContact CD2-CD2 3.77Å; F89-L117 HydrophobicContact CE2-CD2 3.68Å; F89-L117 HydrophobicContact CE2-CG 4.11Å; F89-L117 HydrophobicContact CG-CD2 4.32Å; F89-L117 HydrophobicContact CZ-CD2 4.15Å; F89-N120 HydrophobicContact CB-CB 4.32Å; F89-N120 HydrophobicContact CD2-CB 3.89Å
90	R	84	Confident	88.1	Confident	176 Å²	176	48.5 Å²	48.5	66%	0.664	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.6	-177.9	-62.1	-176.3	-163.3	159.7	4.6	113.3	F88 N120 Y122	F88-R90 VanDerWaalsContact C-N 3.27Å; F88-R90 PolarHBondContact O-N 2.84Å; R90-N120 WeakPolarHBondContact CG-O 3.42Å; R90-Y122 WeakPolarHBondContact O-CB 3.49Å
91	D	86.3	Confident	89.1	Confident	100 Å²	100	39.6 Å²	39.6	54%	0.535	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.6	-178.1	-67.8	-23.2	0	0	0	112.6	K11 F88 F89	K11-D91 HydrophobicContact CD-CB 4.4Å; K11-D91 WeakPolarHBondContact CD-O 3.46Å; F88-D91 PolarHBondContact O-N 3Å; F89-D91 VanDerWaalsContact C-N 3.32Å; F89-D91 PolarHBondContact O-N 2.89Å
92	A	92.8	Very high	90	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.041	20%	0.197	C	C	.	.			trans	-82.9	136.2	179.6	0	0	0	0	0	111.5	L13 F88 F95	L13-A92 HydrophobicContact CB-CB 3.85Å; L13-A92 HydrophobicContact CD2-CB 4.46Å; F88-A92 PolarHBondContact O-N 2.8Å; A92-F95 HydrophobicContact CB-CD1 4.33Å; A92-F95 HydrophobicContact CB-CE1 3.62Å; A92-F95 HydrophobicContact CB-CE2 4.4Å; A92-F95 HydrophobicContact CB-CZ 3.66Å
93	M	93.7	Very high	90.9	Very high	43 Å²	43	34.2 Å²	34.2	21%	0.212	19%	0.188	C	C	.	.	S	Bend	trans	-90.3	-28	178.3	-63.4	176.8	71.5	0	0	112	I10 K11 I181 R184 M185	I10-M93 HydrophobicContact CB-SD 4.25Å; I10-M93 HydrophobicContact CG1-CE 4.2Å; I10-M93 HydrophobicContact CG1-SD 4.08Å; I10-M93 HydrophobicContact CG2-CB 4.43Å; I10-M93 HydrophobicContact CG2-SD 4.29Å; K11-M93 PolarHBondContact O-N 2.97Å; M93-I181 HydrophobicContact CB-CD1 4.31Å; M93-I181 HydrophobicContact CB-CG2 4.28Å; M93-I181 HydrophobicContact CE-CG2 3.84Å; M93-R184 PolarHBondContact O-NH2 3.3Å; M93-M185 HydrophobicContact CE-CE 4.18Å; M93-M185 HydrophobicContact CE-CG 4.3Å; M93-M185 HydrophobicContact CE-SD 3.39Å; M93-M185 WeakPolarHBondContact CE-SD 3.41Å
94	G	96.3	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.5	172.6	0	0	0	0	0	113	K11 L12 L13 D127	K11-G94 PolarHBondContact O-N 2.88Å; L12-G94 WeakPolarHBondContact CA-O 3.31Å; L13-G94 PolarHBondContact N-O 2.56Å; G94-D127 CarbonylContact C-O 3.59Å; G94-D127 WeakPolarHBondContact CA-O 3.26Å
95	F	97.3	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	-169	-55.4	-93.3	0	0	0	112	L13 L15 F89 A92 L117 A121 P126 D127 I128 V129	L13-F95 HydrophobicContact CB-CD1 3.83Å; L13-F95 HydrophobicContact CB-CE1 4.11Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.87Å; L13-F95 HydrophobicContact CG-CD1 4.47Å; L13-F95 WeakPolarHBondContact O-CA 3.45Å; L15-F95 HydrophobicContact CD1-CB 4.45Å; L15-F95 HydrophobicContact CD1-CD1 3.58Å; L15-F95 HydrophobicContact CD1-CE1 4.24Å; L15-F95 HydrophobicContact CD1-CG 4.36Å; L15-F95 HydrophobicContact CG-CD1 4.34Å; F89-F95 HydrophobicContact CB-CE1 4.49Å; F89-F95 HydrophobicContact CD1-CE1 4.34Å; F89-F95 HydrophobicContact CG-CE1 4.35Å; A92-F95 HydrophobicContact CB-CD1 4.33Å; A92-F95 HydrophobicContact CB-CE1 3.62Å; A92-F95 HydrophobicContact CB-CE2 4.4Å; A92-F95 HydrophobicContact CB-CZ 3.66Å; F95-L117 HydrophobicContact CB-CD1 4.41Å; F95-L117 HydrophobicContact CD1-CD2 3.41Å; F95-L117 VanDerWaalsContact CD1-CD2 3.41Å; F95-L117 HydrophobicContact CD2-CD2 4.02Å; F95-L117 HydrophobicContact CE1-CD2 3.38Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 4.42Å; F95-L117 HydrophobicContact CG-CD2 3.72Å; F95-L117 HydrophobicContact CZ-CD2 3.7Å; F95-A121 HydrophobicContact CE2-CB 4.41Å; F95-A121 HydrophobicContact CZ-CB 4.36Å; F95-P126 HydrophobicContact CD2-CB 3.83Å; F95-P126 HydrophobicContact CE2-CB 3.55Å; F95-P126 HydrophobicContact CE2-CG 4.38Å; F95-D127 PolarHBondContact N-O 2.89Å; F95-I128 HydrophobicContact CB-CG1 4.19Å; F95-I128 HydrophobicContact CD2-CG1 4.24Å; F95-I128 WeakPolarHBondContact O-CA 3.36Å; F95-V129 PolarHBondContact O-N 2.98Å
96	L	98.4	Very high	93.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	96.4	168.9	-62.9	164.8	0	0	0	107.1	L13 A14 L15 F25 L26 I131 V174 L177	L13-L96 PolarHBondContact O-N 3.11Å; A14-L96 WeakPolarHBondContact CA-O 3.48Å; A14-L96 HydrophobicContact CB-CB 4.49Å; L15-L96 PolarHBondContact N-O 2.79Å; F25-L96 HydrophobicContact CE1-CD1 3.98Å; L26-L96 HydrophobicContact CD2-CD1 4.31Å; L96-I131 HydrophobicContact CB-CD1 4.22Å; L96-I131 HydrophobicContact CD2-CD1 3.71Å; L96-V174 HydrophobicContact CD1-CG2 4.24Å; L96-V174 HydrophobicContact CD2-CG2 4.37Å; L96-L177 HydrophobicContact CD2-CB 4.46Å; L96-L177 HydrophobicContact CD2-CD2 3.63Å; L96-L177 HydrophobicContact CG-CD2 3.75Å
97	L	97.9	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.2	-178.9	179.8	53.6	0	0	0	109.8	L15 V110 W113 M114 L117 I128 V129 L130 I131	L15-L97 HydrophobicContact CB-CD1 4.02Å; L97-V110 HydrophobicContact CD2-CG1 3.77Å; L97-V110 HydrophobicContact CG-CG1 4.32Å; L97-W113 HydrophobicContact CD1-CB 3.48Å; L97-W113 VanDerWaalsContact CD1-CB 3.48Å; L97-W113 HydrophobicContact CD1-CG 3.88Å; L97-W113 HydrophobicContact CD2-CB 4.16Å; L97-W113 HydrophobicContact CG-CB 4.49Å; L97-M114 HydrophobicContact CD2-CG 3.71Å; L97-M114 HydrophobicContact CD2-SD 3.46Å; L97-M114 WeakPolarHBondContact CD2-SD 3.36Å; L97-L117 HydrophobicContact CD2-CD1 4.47Å; L97-I128 HydrophobicContact CB-CG2 3.94Å; L97-V129 PolarHBondContact N-O 3.03Å; L97-L130 HydrophobicContact CD2-CD1 4.49Å; L97-L130 HydrophobicContact CG-CD1 4.22Å; L97-L130 CarbonylContact O-C 3.59Å; L97-L130 WeakPolarHBondContact O-CA 3.14Å; L97-I131 PolarHBondContact O-N 2.58Å
98	M	98.6	Very high	95.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.8	-168.3	-164.8	178.3	-56.3	0	0	112.5	L15 G16 V20 K22 F25 I131 N133	L15-M98 PolarHBondContact O-N 3.07Å; G16-M98 VanDerWaalsContact CA-O 3.29Å; G16-M98 WeakPolarHBondContact CA-O 3.35Å; V20-M98 HydrophobicContact CB-CG 4.48Å; V20-M98 HydrophobicContact CG2-CB 4.04Å; V20-M98 HydrophobicContact CG2-CG 4.01Å; V20-M98 HydrophobicContact CG2-SD 4.21Å; K22-M98 HydrophobicContact CG-CB 4.4Å; K22-M98 HydrophobicContact CG-SD 4.27Å; F25-M98 HydrophobicContact CB-CE 3.61Å; F25-M98 HydrophobicContact CB-SD 4.26Å; F25-M98 HydrophobicContact CD1-CE 3.86Å; F25-M98 HydrophobicContact CD2-CE 3.77Å; F25-M98 HydrophobicContact CE2-CE 4.4Å; F25-M98 HydrophobicContact CG-CE 3.47Å; F25-M98 VanDerWaalsContact CG-CE 3.47Å; M98-I131 CarbonylContact C-O 3.48Å; M98-I131 VanDerWaalsContact CA-O 3.31Å; M98-I131 WeakPolarHBondContact CA-O 3.31Å; M98-I131 HydrophobicContact CB-CB 4.41Å; M98-I131 HydrophobicContact CE-CG2 4.34Å; M98-I131 HydrophobicContact CG-CB 4.19Å; M98-I131 HydrophobicContact CG-CG2 4.02Å; M98-N133 HydrophobicContact CG-CB 3.9Å; M98-N133 HydrophobicContact SD-CB 3.8Å
99	F	98.7	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	169.1	165.6	70.7	-86.6	0	0	0	109.9	L101 F107 V110 L130 I131 G132 N133 V143 A148 Y159	F99-L101 HydrophobicContact CE2-CD2 3.83Å; F99-L101 HydrophobicContact CE2-CG 4.38Å; F99-L101 HydrophobicContact CZ-CD2 4.18Å; F99-F107 HydrophobicContact CD1-CD2 4.1Å; F99-F107 HydrophobicContact CD2-CB 3.73Å; F99-F107 AromaticContact CD2-CD2 3.94Å; F99-F107 HydrophobicContact CD2-CD2 3.94Å; F99-F107 HydrophobicContact CD2-CG 4.28Å; F99-F107 AromaticContact CE1-CD2 3.92Å; F99-F107 HydrophobicContact CE1-CD2 3.92Å; F99-F107 HydrophobicContact CE1-CE2 4.38Å; F99-F107 HydrophobicContact CE2-CB 4.14Å; F99-F107 AromaticContact CE2-CD2 3.76Å; F99-F107 HydrophobicContact CE2-CD2 3.76Å; F99-F107 HydrophobicContact CE2-CG 4.28Å; F99-F107 HydrophobicContact CG-CB 4.19Å; F99-F107 HydrophobicContact CG-CD2 4.11Å; F99-F107 AromaticContact CZ-CD2 3.75Å; F99-F107 HydrophobicContact CZ-CD2 3.75Å; F99-F107 HydrophobicContact CZ-CE2 4.25Å; F99-V110 HydrophobicContact CB-CG2 3.87Å; F99-V110 HydrophobicContact CD1-CG2 3.94Å; F99-V110 HydrophobicContact CG-CG2 4.17Å; F99-L130 HydrophobicContact CD1-CD1 3.95Å; F99-L130 HydrophobicContact CD1-CG 4.37Å; F99-L130 HydrophobicContact CE1-CD1 4.08Å; F99-L130 HydrophobicContact CE1-CD2 4.23Å; F99-L130 HydrophobicContact CE1-CG 4Å; F99-I131 VanDerWaalsContact CD1-O 3.31Å; F99-I131 WeakPolarHBondContact CD1-O 3.29Å; F99-I131 PolarHBondContact N-O 3.23Å; F99-G132 VanDerWaalsContact CZ-CA 3.46Å; F99-N133 PolarHBondContact O-N 2.84Å; F99-V143 HydrophobicContact CD2-CG2 4.44Å; F99-V143 HydrophobicContact CE2-CB 4.1Å; F99-V143 HydrophobicContact CE2-CG1 3.81Å; F99-V143 HydrophobicContact CE2-CG2 4.18Å; F99-V143 HydrophobicContact CZ-CG1 4.34Å; F99-A148 HydrophobicContact CE1-CB 4.45Å; F99-A148 HydrophobicContact CZ-CB 3.81Å; F99-Y159 AromaticContact CE1-CE2 3.83Å; F99-Y159 HydrophobicContact CE1-CE2 3.83Å; F99-Y159 AromaticContact CZ-CE2 3.87Å; F99-Y159 HydrophobicContact CZ-CE2 3.87Å
100	D	98.4	Very high	96.3	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.059	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.3	178.8	-178.8	2.5	0	0	0	110.1	V20 T102 S103 S106 K134	V20-D100 HydrophobicContact CB-CB 4.22Å; V20-D100 HydrophobicContact CG1-CB 4.11Å; D100-T102 PolarHBondContact O-N 3.5Å; D100-T102 VanDerWaalsContact O-N 3.17Å; D100-T102 PolarHBondContact OD1-N 3.2Å; D100-T102 PolarHBondContact OD1-OG1 3.42Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å; D100-T102 PolarHBondContact OD2-OG1 3.28Å; D100-S103 PolarHBondContact O-N 2.9Å; D100-S106 PolarHBondContact N-OG 3.42Å; D100-S106 PolarHBondContact O-OG 2.91Å; D100-K134 VanDerWaalsContact CG-CE 3.44Å; D100-K134 WeakPolarHBondContact OD1-CD 3.4Å; D100-K134 WeakPolarHBondContact OD1-CG 3.45Å; D100-K134 IonicContact OD1-NZ 3.13Å; D100-K134 WeakPolarHBondContact OD2-CE 3.3Å; D100-K134 IonicContact OD2-NZ 2.79Å; D100-K134 PolarHBondContact OD2-NZ 2.73Å
101	L	98.7	Very high	96.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.4	177.4	-71.9	166.4	0	0	0	112.8	F99 G132 N133 A135 E142 V143 E161	F99-L101 HydrophobicContact CE2-CD2 3.83Å; F99-L101 HydrophobicContact CE2-CG 4.38Å; F99-L101 HydrophobicContact CZ-CD2 4.18Å; L101-G132 WeakPolarHBondContact CD1-O 3.22Å; L101-N133 VanDerWaalsContact CB-O 3.29Å; L101-N133 WeakPolarHBondContact CB-O 3.31Å; L101-N133 WeakPolarHBondContact CD1-O 3.29Å; L101-N133 VanDerWaalsContact CG-O 3.28Å; L101-N133 WeakPolarHBondContact CG-O 3.36Å; L101-N133 PolarHBondContact N-O 2.81Å; L101-A135 HydrophobicContact CD1-CB 3.74Å; L101-E142 PolarHBondContact O-N 3.44Å; L101-V143 HydrophobicContact CD2-CB 4.33Å; L101-V143 PolarHBondContact O-N 3.46Å; L101-V143 VanDerWaalsContact O-N 3.09Å; L101-E161 HydrophobicContact CD1-CB 4.25Å; L101-E161 HydrophobicContact CD1-CG 4.08Å; L101-E161 HydrophobicContact CD2-CG 4.38Å
102	T	98.3	Very high	97.2	Very high	23 Å²	23	28.3 Å²	28.3	14%	0.141	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.8	175.1	80.6	0	0	0	0	113.2	D100 K134 L137 Q140	D100-T102 PolarHBondContact O-N 3.5Å; D100-T102 VanDerWaalsContact O-N 3.17Å; D100-T102 PolarHBondContact OD1-N 3.2Å; D100-T102 PolarHBondContact OD1-OG1 3.42Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å; D100-T102 PolarHBondContact OD2-OG1 3.28Å; T102-K134 HydrophobicContact CG2-CB 4.44Å; T102-L137 HydrophobicContact CG2-CB 3.66Å; T102-L137 HydrophobicContact CG2-CD1 3.88Å; T102-L137 HydrophobicContact CG2-CG 4.4Å; T102-Q140 VanDerWaalsContact CA-O 3.3Å; T102-Q140 WeakPolarHBondContact CA-O 3.36Å; T102-Q140 WeakPolarHBondContact CB-O 3.3Å; T102-Q140 HydrophobicContact CG2-CB 3.74Å
103	S	98.2	Very high	97.3	Very high	36 Å²	36	29 Å²	29	25%	0.252	14%	0.143	S	C	.	.			trans	-140.1	102.1	177.8	-179.3	0	0	0	0	111.5	D100 Q105 S106 F107 E142	D100-S103 PolarHBondContact O-N 2.9Å; S103-Q105 PolarHBondContact O-N 2.65Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 VanDerWaalsContact O-N 3.13Å; S103-S106 PolarHBondContact O-OG 2.94Å; S103-S106 PolarHBondContact OG-N 3.36Å; S103-F107 PolarHBondContact O-N 2.89Å; S103-E142 WeakPolarHBondContact CA-OE2 3.48Å
104	Q	98	Very high	97.2	Very high	59 Å²	59	27.2 Å²	27.2	28%	0.276	13%	0.134	S	C	.	.	H	α-helix	trans	-55.7	-37	175.2	-175.4	62.5	32.9	0	0	111.9	S106 F107 L108 E142	Q104-S106 PolarHBondContact O-N 3.37Å; Q104-F107 WeakPolarHBondContact O-CB 3.36Å; Q104-F107 PolarHBondContact O-N 3.13Å; Q104-L108 HydrophobicContact CG-CD1 4.47Å; Q104-L108 WeakPolarHBondContact O-CG 2.86Å; Q104-L108 PolarHBondContact O-N 3.09Å; Q104-E142 HydrophobicContact CB-CB 4.33Å; Q104-E142 PolarHBondContact N-OE2 3.41Å; Q104-E142 PolarHBondContact OE1-O 3.19Å
105	Q	98	Very high	97	Very high	108 Å²	108	30.6 Å²	30.6	51%	0.505	16%	0.158	S	C	.	.	H	α-helix	trans	-63.3	-42.6	179.7	-174.3	58.4	54.1	0	0	112.1	S103 F107 L108 N109	S103-Q105 PolarHBondContact O-N 2.65Å; Q105-F107 VanDerWaalsContact C-N 3.25Å; Q105-F107 PolarHBondContact O-N 3.35Å; Q105-L108 PolarHBondContact O-N 3.23Å; Q105-N109 PolarHBondContact NE2-ND2 3.47Å; Q105-N109 PolarHBondContact NE2-OD1 3.2Å; Q105-N109 WeakPolarHBondContact O-CB 3.27Å; Q105-N109 PolarHBondContact O-N 3Å; Q105-N109 PolarHBondContact O-ND2 3.47Å
106	S	98	Very high	96.6	Very high	4 Å²	4	31 Å²	31	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-35.8	178.1	77.3	0	0	0	0	112	D100 S103 Q104 N109 V110	D100-S106 PolarHBondContact N-OG 3.42Å; D100-S106 PolarHBondContact O-OG 2.91Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 VanDerWaalsContact O-N 3.13Å; S103-S106 PolarHBondContact O-OG 2.94Å; S103-S106 PolarHBondContact OG-N 3.36Å; Q104-S106 PolarHBondContact O-N 3.37Å; S106-N109 PolarHBondContact O-N 2.65Å; S106-V110 PolarHBondContact O-N 3.07Å
107	F	98.7	Very high	96.2	Very high	7 Å²	7	31 Å²	31	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-43	174.5	175.3	-112.1	0	0	0	112.4	F99 S103 Q104 Q105 N109 V110 V143 Q147 A148 L151	F99-F107 HydrophobicContact CD1-CD2 4.1Å; F99-F107 HydrophobicContact CD2-CB 3.73Å; F99-F107 AromaticContact CD2-CD2 3.94Å; F99-F107 HydrophobicContact CD2-CD2 3.94Å; F99-F107 HydrophobicContact CD2-CG 4.28Å; F99-F107 AromaticContact CE1-CD2 3.92Å; F99-F107 HydrophobicContact CE1-CD2 3.92Å; F99-F107 HydrophobicContact CE1-CE2 4.38Å; F99-F107 HydrophobicContact CE2-CB 4.14Å; F99-F107 AromaticContact CE2-CD2 3.76Å; F99-F107 HydrophobicContact CE2-CD2 3.76Å; F99-F107 HydrophobicContact CE2-CG 4.28Å; F99-F107 HydrophobicContact CG-CB 4.19Å; F99-F107 HydrophobicContact CG-CD2 4.11Å; F99-F107 AromaticContact CZ-CD2 3.75Å; F99-F107 HydrophobicContact CZ-CD2 3.75Å; F99-F107 HydrophobicContact CZ-CE2 4.25Å; S103-F107 PolarHBondContact O-N 2.89Å; Q104-F107 WeakPolarHBondContact O-CB 3.36Å; Q104-F107 PolarHBondContact O-N 3.13Å; Q105-F107 VanDerWaalsContact C-N 3.25Å; Q105-F107 PolarHBondContact O-N 3.35Å; F107-N109 PolarHBondContact O-N 2.96Å; F107-V110 HydrophobicContact CD2-CG2 4.49Å; F107-V110 VanDerWaalsContact O-CB 3.22Å; F107-V110 WeakPolarHBondContact O-CB 3.5Å; F107-V110 VanDerWaalsContact O-CG2 3.3Å; F107-V110 WeakPolarHBondContact O-CG2 3.35Å; F107-V110 PolarHBondContact O-N 2.93Å; F107-V110 VanDerWaalsContact O-N 3.16Å; F107-V143 HydrophobicContact CB-CG1 4.21Å; F107-V143 HydrophobicContact CB-CG2 3.67Å; F107-V143 HydrophobicContact CD1-CG1 3.94Å; F107-V143 HydrophobicContact CD1-CG2 4.49Å; F107-V143 HydrophobicContact CD2-CG1 4Å; F107-V143 HydrophobicContact CE1-CG1 4.3Å; F107-V143 HydrophobicContact CE2-CG1 4.35Å; F107-V143 HydrophobicContact CG-CG1 3.78Å; F107-V143 HydrophobicContact CG-CG2 4.14Å; F107-V143 HydrophobicContact CZ-CG1 4.49Å; F107-Q147 HydrophobicContact CE1-CB 4.38Å; F107-Q147 HydrophobicContact CZ-CB 4.42Å; F107-A148 HydrophobicContact CE2-CB 3.92Å; F107-A148 HydrophobicContact CZ-CB 4.4Å; F107-L151 HydrophobicContact CD2-CD2 4.24Å; F107-L151 HydrophobicContact CE2-CB 4.18Å; F107-L151 HydrophobicContact CE2-CD2 3.44Å; F107-L151 VanDerWaalsContact CE2-CD2 3.44Å; F107-L151 HydrophobicContact CE2-CG 4.45Å; F107-L151 HydrophobicContact CZ-CB 3.98Å; F107-L151 HydrophobicContact CZ-CD2 3.67Å; F107-L151 HydrophobicContact CZ-CG 4.42Å
108	L	97.8	Very high	95.8	Very high	69 Å²	69	36.5 Å²	36.5	36%	0.361	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-38.3	175.8	-67.9	178.1	0	0	0	111.7	Q104 Q105 V110 R111	Q104-L108 HydrophobicContact CG-CD1 4.47Å; Q104-L108 WeakPolarHBondContact O-CG 2.86Å; Q104-L108 PolarHBondContact O-N 3.09Å; Q105-L108 PolarHBondContact O-N 3.23Å; L108-V110 PolarHBondContact O-N 2.98Å; L108-R111 PolarHBondContact O-N 3.22Å
109	N	97	Very high	95.3	Very high	33 Å²	33	40 Å²	40	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-14.7	179.4	-73.6	-18.3	0	0	0	113.9	D17 Q105 S106 F107 R111 N112 W113	D17-N109 WeakPolarHBondContact OD2-CB 3.29Å; D17-N109 PolarHBondContact OD2-ND2 3.28Å; Q105-N109 PolarHBondContact NE2-ND2 3.47Å; Q105-N109 PolarHBondContact NE2-OD1 3.2Å; Q105-N109 WeakPolarHBondContact O-CB 3.27Å; Q105-N109 PolarHBondContact O-N 3Å; Q105-N109 PolarHBondContact O-ND2 3.47Å; S106-N109 PolarHBondContact O-N 2.65Å; F107-N109 PolarHBondContact O-N 2.96Å; N109-R111 PolarHBondContact O-N 2.84Å; N109-R111 VanDerWaalsContact O-N 3.15Å; N109-N112 WeakPolarHBondContact O-CA 3.46Å; N109-N112 WeakPolarHBondContact O-CB 3.38Å; N109-N112 PolarHBondContact O-N 2.95Å; N109-N112 PolarHBondContact OD1-ND2 3.5Å; N109-W113 VanDerWaalsContact O-CD1 3.24Å; N109-W113 PolarHBondContact O-N 2.81Å
110	V	97.5	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-51.5	-38.4	171.7	172	0	0	0	0	111.1	L97 F99 S106 F107 L108 N112 W113 M114 L130 L151	L97-V110 HydrophobicContact CD2-CG1 3.77Å; L97-V110 HydrophobicContact CG-CG1 4.32Å; F99-V110 HydrophobicContact CB-CG2 3.87Å; F99-V110 HydrophobicContact CD1-CG2 3.94Å; F99-V110 HydrophobicContact CG-CG2 4.17Å; S106-V110 PolarHBondContact O-N 3.07Å; F107-V110 HydrophobicContact CD2-CG2 4.49Å; F107-V110 VanDerWaalsContact O-CB 3.22Å; F107-V110 WeakPolarHBondContact O-CB 3.5Å; F107-V110 VanDerWaalsContact O-CG2 3.3Å; F107-V110 WeakPolarHBondContact O-CG2 3.35Å; F107-V110 PolarHBondContact O-N 2.93Å; F107-V110 VanDerWaalsContact O-N 3.16Å; L108-V110 PolarHBondContact O-N 2.98Å; V110-N112 VanDerWaalsContact C-N 3.31Å; V110-N112 PolarHBondContact O-N 3.3Å; V110-W113 PolarHBondContact O-N 2.62Å; V110-M114 HydrophobicContact CG1-CG 4.26Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.91Å; V110-L130 HydrophobicContact CG1-CD1 3.65Å; V110-L130 HydrophobicContact CG2-CD1 4.11Å; V110-L151 HydrophobicContact CB-CD2 4.12Å; V110-L151 HydrophobicContact CG1-CD2 3.82Å
111	R	96	Very high	94	Very high	102 Å²	102	42.9 Å²	42.9	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-38.1	177.7	-61.6	-174.1	-179.7	93.6	-0.9	112.5	L108 N109 M114 S115 L151	L108-R111 PolarHBondContact O-N 3.22Å; N109-R111 PolarHBondContact O-N 2.84Å; N109-R111 VanDerWaalsContact O-N 3.15Å; R111-M114 PolarHBondContact O-N 3.45Å; R111-S115 WeakPolarHBondContact O-CB 3.36Å; R111-S115 PolarHBondContact O-N 3.19Å; R111-L151 HydrophobicContact CG-CD1 4.35Å
112	N	93.6	Very high	93.2	Very high	90 Å²	90	48.3 Å²	48.3	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-70	-36.9	177	-63	-25.8	0	0	0	111.1	N109 V110 Q116	N109-N112 WeakPolarHBondContact O-CA 3.46Å; N109-N112 WeakPolarHBondContact O-CB 3.38Å; N109-N112 PolarHBondContact O-N 2.95Å; N109-N112 PolarHBondContact OD1-ND2 3.5Å; V110-N112 VanDerWaalsContact C-N 3.31Å; V110-N112 PolarHBondContact O-N 3.3Å; N112-Q116 VanDerWaalsContact O-CG 3.3Å; N112-Q116 WeakPolarHBondContact O-CG 3.36Å; N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 PolarHBondContact O-NE2 3.17Å
113	W	93.7	Very high	92.3	Very high	20 Å²	20	48.9 Å²	48.9	8%	0.076	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-43.6	173.2	-73.1	108.3	0	0	0	112	L15 G16 D17 T85 F89 L97 N109 V110 S115 Q116 L117	L15-W113 HydrophobicContact CB-CE3 4.27Å; L15-W113 HydrophobicContact CD2-CZ3 4.19Å; G16-W113 WeakPolarHBondContact O-CZ2 3.18Å; D17-W113 PolarHBondContact OD1-NE1 3.39Å; T85-W113 HydrophobicContact CG2-CZ3 4.13Å; F89-W113 HydrophobicContact CZ-CZ3 4.48Å; L97-W113 HydrophobicContact CD1-CB 3.48Å; L97-W113 VanDerWaalsContact CD1-CB 3.48Å; L97-W113 HydrophobicContact CD1-CG 3.88Å; L97-W113 HydrophobicContact CD2-CB 4.16Å; L97-W113 HydrophobicContact CG-CB 4.49Å; N109-W113 VanDerWaalsContact O-CD1 3.24Å; N109-W113 PolarHBondContact O-N 2.81Å; V110-W113 PolarHBondContact O-N 2.62Å; W113-S115 PolarHBondContact O-N 3.26Å; W113-Q116 WeakPolarHBondContact O-CB 3.46Å; W113-Q116 PolarHBondContact O-N 2.99Å; W113-L117 WeakPolarHBondContact O-CG 3.5Å; W113-L117 PolarHBondContact O-N 3.45Å
114	M	93.2	Very high	91.2	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.9	174.8	-73.5	-60.3	-69.2	0	0	112	L97 V110 R111 Q116 L117 Q118 I128 Y155 I157	L97-M114 HydrophobicContact CD2-CG 3.71Å; L97-M114 HydrophobicContact CD2-SD 3.46Å; L97-M114 WeakPolarHBondContact CD2-SD 3.36Å; V110-M114 HydrophobicContact CG1-CG 4.26Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.91Å; R111-M114 PolarHBondContact O-N 3.45Å; M114-Q116 VanDerWaalsContact C-N 3.29Å; M114-Q116 PolarHBondContact O-N 2.93Å; M114-L117 WeakPolarHBondContact O-CB 3.47Å; M114-L117 PolarHBondContact O-N 2.97Å; M114-L117 HydrophobicContact SD-CD1 4.38Å; M114-Q118 WeakPolarHBondContact O-CG 3.16Å; M114-Q118 PolarHBondContact O-N 2.87Å; M114-I128 HydrophobicContact CE-CD1 3.76Å; M114-I128 HydrophobicContact SD-CD1 3.82Å; M114-I128 HydrophobicContact SD-CG2 4.47Å; M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.43Å; M114-Y155 HydrophobicContact CE-CD1 3.57Å; M114-Y155 HydrophobicContact CE-CD2 4.19Å; M114-Y155 HydrophobicContact CE-CE1 4.08Å; M114-Y155 HydrophobicContact CE-CG 3.65Å; M114-Y155 HydrophobicContact CG-CD2 4.19Å; M114-Y155 HydrophobicContact CG-CE1 4.21Å; M114-Y155 HydrophobicContact CG-CE2 3.87Å; M114-I157 HydrophobicContact CE-CD1 4.35Å; M114-I157 HydrophobicContact SD-CD1 4.33Å
115	S	91.5	Very high	90.3	Very high	71 Å²	71	58.5 Å²	58.5	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-38.2	176.8	175	0	0	0	0	112.4	R111 W113 A119	R111-S115 WeakPolarHBondContact O-CB 3.36Å; R111-S115 PolarHBondContact O-N 3.19Å; W113-S115 PolarHBondContact O-N 3.26Å; S115-A119 WeakPolarHBondContact O-CB 3.25Å; S115-A119 PolarHBondContact O-N 3.22Å; S115-A119 VanDerWaalsContact O-N 3.16Å
116	Q	88.9	Confident	89.8	Confident	8 Å²	8	54 Å²	54	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-41.9	175.2	-73.7	169.8	83.9	0	0	112.6	R82 F89 N112 W113 M114 A119 N120	R82-Q116 VanDerWaalsContact NH1-OE1 3.11Å; F89-Q116 HydrophobicContact CE2-CB 3.95Å; N112-Q116 VanDerWaalsContact O-CG 3.3Å; N112-Q116 WeakPolarHBondContact O-CG 3.36Å; N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 PolarHBondContact O-NE2 3.17Å; W113-Q116 WeakPolarHBondContact O-CB 3.46Å; W113-Q116 PolarHBondContact O-N 2.99Å; M114-Q116 VanDerWaalsContact C-N 3.29Å; M114-Q116 PolarHBondContact O-N 2.93Å; Q116-A119 PolarHBondContact O-N 3.36Å; Q116-N120 WeakPolarHBondContact O-CB 3.49Å; Q116-N120 PolarHBondContact O-N 3.47Å; Q116-N120 VanDerWaalsContact O-N 3.09Å; Q116-N120 PolarHBondContact O-ND2 3.34Å
117	L	90.4	Very high	89.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-51	176.9	-76.5	169.9	0	0	0	110.3	L15 F89 F95 L97 W113 M114 A119 N120 A121 I128	L15-L117 HydrophobicContact CD1-CD1 3.95Å; L15-L117 HydrophobicContact CD1-CD2 3.44Å; L15-L117 VanDerWaalsContact CD1-CD2 3.44Å; L15-L117 HydrophobicContact CD1-CG 3.91Å; F89-L117 HydrophobicContact CD2-CD2 3.77Å; F89-L117 HydrophobicContact CE2-CD2 3.68Å; F89-L117 HydrophobicContact CE2-CG 4.11Å; F89-L117 HydrophobicContact CG-CD2 4.32Å; F89-L117 HydrophobicContact CZ-CD2 4.15Å; F95-L117 HydrophobicContact CB-CD1 4.41Å; F95-L117 HydrophobicContact CD1-CD2 3.41Å; F95-L117 VanDerWaalsContact CD1-CD2 3.41Å; F95-L117 HydrophobicContact CD2-CD2 4.02Å; F95-L117 HydrophobicContact CE1-CD2 3.38Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 4.42Å; F95-L117 HydrophobicContact CG-CD2 3.72Å; F95-L117 HydrophobicContact CZ-CD2 3.7Å; L97-L117 HydrophobicContact CD2-CD1 4.47Å; W113-L117 WeakPolarHBondContact O-CG 3.5Å; W113-L117 PolarHBondContact O-N 3.45Å; M114-L117 WeakPolarHBondContact O-CB 3.47Å; M114-L117 PolarHBondContact O-N 2.97Å; M114-L117 HydrophobicContact SD-CD1 4.38Å; L117-A119 PolarHBondContact O-N 3.37Å; L117-A119 VanDerWaalsContact O-N 3.16Å; L117-N120 PolarHBondContact O-N 3.06Å; L117-N120 VanDerWaalsContact O-N 3.16Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.94Å; L117-I128 HydrophobicContact CD1-CD1 3.89Å; L117-I128 HydrophobicContact CD1-CG1 4.38Å
118	Q	88.2	Confident	89.6	Confident	116 Å²	116	55 Å²	55	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-30.1	179.1	-70.3	174.3	-36.1	0	0	113.1	M114	M114-Q118 WeakPolarHBondContact O-CG 3.16Å; M114-Q118 PolarHBondContact O-N 2.87Å
119	A	87.7	Confident	89.7	Confident	75 Å²	75	51.8 Å²	51.8	62%	0.62	27%	0.272	S	S	*	.	H	α-helix	trans	-86.2	-21.2	179.8	0	0	0	0	0	114.8	S115 Q116 L117	S115-A119 WeakPolarHBondContact O-CB 3.25Å; S115-A119 PolarHBondContact O-N 3.22Å; S115-A119 VanDerWaalsContact O-N 3.16Å; Q116-A119 PolarHBondContact O-N 3.36Å; L117-A119 PolarHBondContact O-N 3.37Å; L117-A119 VanDerWaalsContact O-N 3.16Å
120	N	86.3	Confident	89.8	Confident	55 Å²	55	50.2 Å²	50.2	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-132.4	-8.3	-168.3	-59.1	-85.2	0	0	0	114.9	F89 R90 Q116 L117	F89-N120 HydrophobicContact CB-CB 4.32Å; F89-N120 HydrophobicContact CD2-CB 3.89Å; R90-N120 WeakPolarHBondContact CG-O 3.42Å; Q116-N120 WeakPolarHBondContact O-CB 3.49Å; Q116-N120 PolarHBondContact O-N 3.47Å; Q116-N120 VanDerWaalsContact O-N 3.09Å; Q116-N120 PolarHBondContact O-ND2 3.34Å; L117-N120 PolarHBondContact O-N 3.06Å; L117-N120 VanDerWaalsContact O-N 3.16Å
121	A	84.5	Confident	89.8	Confident	18 Å²	18	50.2 Å²	50.2	15%	0.149	26%	0.263	C	S	.	.	S	Bend	trans	-67.3	161	175.1	0	0	0	0	0	111	F95 L117 C123 P126	F95-A121 HydrophobicContact CE2-CB 4.41Å; F95-A121 HydrophobicContact CZ-CB 4.36Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.94Å; A121-C123 PolarHBondContact O-N 2.67Å; A121-P126 HydrophobicContact CB-CB 4.14Å; A121-P126 HydrophobicContact CB-CG 3.98Å
122	Y	81.9	Confident	90	Very high	116 Å²	116	45.3 Å²	45.3	46%	0.455	25%	0.245	S	C	.	.	S	Bend	trans	-66.9	-24.3	-177.3	88.7	-90.4	0	0	0	113.4	R90 R184	R90-Y122 WeakPolarHBondContact O-CB 3.49Å; Y122-R184 PolarHBondContact OH-NE 2.8Å; Y122-R184 PolarHBondContact OH-NH1 3.48Å; Y122-R184 PolarHBondContact OH-NH2 2.99Å
123	C	79.6	Confident	90.2	Very high	34 Å²	34	41.1 Å²	41.1	23%	0.23	22%	0.223	C	C	.	.	S	Bend	trans	-136.2	162.2	179.6	68.3	0	0	0	0	111.1	A121 N125	A121-C123 PolarHBondContact O-N 2.67Å; C123-N125 PolarHBondContact O-N 3.37Å; C123-N125 PolarHBondContact SG-O 2.87Å
124	E	74.1	Confident	90.4	Very high	167 Å²	167	42.7 Å²	42.7	78%	0.78	23%	0.23	S	C	*	.	S	Bend	trans	-64	-29.4	179.7	-64.5	-177.7	160.6	0	0	112.9	P126	E124-P126 VanDerWaalsContact C-CD 3.48Å; E124-P126 WeakPolarHBondContact O-CD 3.36Å
125	N	79.9	Confident	90.7	Very high	130 Å²	130	42.9 Å²	42.9	70%	0.695	23%	0.232	S	C	*	.	S	Bend	trans	-124.9	72.3	-175.5	-61.4	-42.3	0	0	0	110.8	C123	C123-N125 PolarHBondContact O-N 3.37Å; C123-N125 PolarHBondContact SG-O 2.87Å
126	P	87.4	Confident	91	Very high	15 Å²	15	42.5 Å²	42.5	10%	0.097	23%	0.225	C	C	.	.			trans	-67.1	146.4	174.8	28.4	-33.6	0	0	0	110.8	F95 A121 E124 I128	F95-P126 HydrophobicContact CD2-CB 3.83Å; F95-P126 HydrophobicContact CE2-CB 3.55Å; F95-P126 HydrophobicContact CE2-CG 4.38Å; A121-P126 HydrophobicContact CB-CB 4.14Å; A121-P126 HydrophobicContact CB-CG 3.98Å; E124-P126 VanDerWaalsContact C-CD 3.48Å; E124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-I128 HydrophobicContact CB-CG1 4.44Å; P126-I128 HydrophobicContact CG-CD1 3.92Å; P126-I128 HydrophobicContact CG-CG1 4.24Å; P126-I128 PolarHBondContact O-N 3.2Å
127	D	95.6	Very high	91.3	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.8	173.4	-63.9	-52.4	0	0	0	108.8	G94 F95 L177 L180 I181 R184	G94-D127 CarbonylContact C-O 3.59Å; G94-D127 WeakPolarHBondContact CA-O 3.26Å; F95-D127 PolarHBondContact N-O 2.89Å; D127-L177 HydrophobicContact CB-CD1 3.84Å; D127-L177 WeakPolarHBondContact O-CD1 3.47Å; D127-L180 HydrophobicContact CB-CB 4.14Å; D127-I181 HydrophobicContact CB-CG1 3.88Å; D127-I181 WeakPolarHBondContact OD2-CA 3.28Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.42Å; D127-R184 IonicContact OD2-CZ 2.68Å; D127-R184 IonicContact OD2-NE 3.94Å; D127-R184 PolarHBondContact OD2-NE 2.84Å; D127-R184 IonicContact OD2-NH1 3.08Å; D127-R184 PolarHBondContact OD2-NH1 2.87Å; D127-R184 IonicContact OD2-NH2 3.17Å; D127-R184 PolarHBondContact OD2-NH2 3.21Å; D127-R184 VanDerWaalsContact OD2-NH2 3.13Å
128	I	97.6	Very high	91.6	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.1	-176	-57.6	164.4	0	0	0	108.2	F95 L97 M114 L117 P126 I157 P158	F95-I128 HydrophobicContact CB-CG1 4.19Å; F95-I128 HydrophobicContact CD2-CG1 4.24Å; F95-I128 WeakPolarHBondContact O-CA 3.36Å; L97-I128 HydrophobicContact CB-CG2 3.94Å; M114-I128 HydrophobicContact CE-CD1 3.76Å; M114-I128 HydrophobicContact SD-CD1 3.82Å; M114-I128 HydrophobicContact SD-CG2 4.47Å; L117-I128 HydrophobicContact CD1-CD1 3.89Å; L117-I128 HydrophobicContact CD1-CG1 4.38Å; P126-I128 HydrophobicContact CB-CG1 4.44Å; P126-I128 HydrophobicContact CG-CD1 3.92Å; P126-I128 HydrophobicContact CG-CG1 4.24Å; P126-I128 PolarHBondContact O-N 3.2Å; I128-I157 HydrophobicContact CB-CG2 4.03Å; I128-I157 HydrophobicContact CG2-CD1 4.02Å; I128-P158 WeakPolarHBondContact O-CD 3.46Å
129	V	98.7	Very high	92.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.1	164	172.9	0	0	0	0	108.6	F95 L97 I131 P158 F160 T176 L177	F95-V129 PolarHBondContact O-N 2.98Å; L97-V129 PolarHBondContact N-O 3.03Å; V129-I131 HydrophobicContact CG1-CD1 4.45Å; V129-I131 HydrophobicContact CG1-CG1 3.99Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.3Å; V129-F160 HydrophobicContact CG1-CD2 3.55Å; V129-F160 HydrophobicContact CG1-CE2 3.94Å; V129-T176 HydrophobicContact CG2-CG2 4.43Å; V129-L177 HydrophobicContact CB-CB 4.47Å; V129-L177 HydrophobicContact CG2-CB 3.71Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; V129-L177 HydrophobicContact CG2-CG 4.46Å
130	L	98.8	Very high	92.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.4	173.5	-175.5	66.1	0	0	0	109.7	L97 F99 V110 A152 I157 P158 Y159 F160	L97-L130 HydrophobicContact CD2-CD1 4.49Å; L97-L130 HydrophobicContact CG-CD1 4.22Å; L97-L130 CarbonylContact O-C 3.59Å; L97-L130 WeakPolarHBondContact O-CA 3.14Å; F99-L130 HydrophobicContact CD1-CD1 3.95Å; F99-L130 HydrophobicContact CD1-CG 4.37Å; F99-L130 HydrophobicContact CE1-CD1 4.08Å; F99-L130 HydrophobicContact CE1-CD2 4.23Å; F99-L130 HydrophobicContact CE1-CG 4Å; V110-L130 HydrophobicContact CG1-CD1 3.65Å; V110-L130 HydrophobicContact CG2-CD1 4.11Å; L130-A152 HydrophobicContact CD2-CB 3.97Å; L130-I157 HydrophobicContact CB-CD1 3.86Å; L130-I157 HydrophobicContact CB-CG1 4.31Å; L130-P158 PolarHBondContact N-O 2.93Å; L130-Y159 HydrophobicContact CB-CD2 4.12Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.44Å; L130-Y159 HydrophobicContact CG-CD2 3.87Å; L130-Y159 HydrophobicContact CG-CE2 4.42Å; L130-Y159 WeakPolarHBondContact O-CA 3.37Å; L130-Y159 WeakPolarHBondContact O-CD2 3.45Å; L130-F160 PolarHBondContact O-N 3.28Å
131	I	98.9	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.3	-176.1	-61.9	-179.5	0	0	0	110.3	F25 L96 L97 M98 F99 V129 N133 F160 T162	F25-I131 HydrophobicContact CE1-CD1 4.48Å; F25-I131 HydrophobicContact CE2-CD1 3.95Å; F25-I131 HydrophobicContact CE2-CG2 4.4Å; F25-I131 HydrophobicContact CZ-CD1 3.77Å; L96-I131 HydrophobicContact CB-CD1 4.22Å; L96-I131 HydrophobicContact CD2-CD1 3.71Å; L97-I131 PolarHBondContact O-N 2.58Å; M98-I131 CarbonylContact C-O 3.48Å; M98-I131 VanDerWaalsContact CA-O 3.31Å; M98-I131 WeakPolarHBondContact CA-O 3.31Å; M98-I131 HydrophobicContact CB-CB 4.41Å; M98-I131 HydrophobicContact CE-CG2 4.34Å; M98-I131 HydrophobicContact CG-CB 4.19Å; M98-I131 HydrophobicContact CG-CG2 4.02Å; F99-I131 VanDerWaalsContact CD1-O 3.31Å; F99-I131 WeakPolarHBondContact CD1-O 3.29Å; F99-I131 PolarHBondContact N-O 3.23Å; V129-I131 HydrophobicContact CG1-CD1 4.45Å; V129-I131 HydrophobicContact CG1-CG1 3.99Å; I131-N133 HydrophobicContact CG2-CB 4.47Å; I131-F160 WeakPolarHBondContact CA-O 3.49Å; I131-T162 HydrophobicContact CG2-CG2 3.67Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.38Å
132	G	98.8	Very high	93.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	104.3	163.8	0	0	0	0	0	109.2	F99 L101 F160 E161 T162	F99-G132 VanDerWaalsContact CZ-CA 3.46Å; L101-G132 WeakPolarHBondContact CD1-O 3.22Å; G132-F160 PolarHBondContact N-O 2.81Å; G132-E161 CarbonylContact O-C 3.51Å; G132-E161 VanDerWaalsContact O-CA 3.26Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; G132-T162 PolarHBondContact O-N 3.4Å
133	N	98.7	Very high	94.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	170.5	-178.1	-167.7	24.6	0	0	0	111.9	V20 M98 F99 L101 I131 T162 A164	V20-N133 PolarHBondContact O-ND2 2.83Å; M98-N133 HydrophobicContact CG-CB 3.9Å; M98-N133 HydrophobicContact SD-CB 3.8Å; F99-N133 PolarHBondContact O-N 2.84Å; L101-N133 VanDerWaalsContact CB-O 3.29Å; L101-N133 WeakPolarHBondContact CB-O 3.31Å; L101-N133 WeakPolarHBondContact CD1-O 3.29Å; L101-N133 VanDerWaalsContact CG-O 3.28Å; L101-N133 WeakPolarHBondContact CG-O 3.36Å; L101-N133 PolarHBondContact N-O 2.81Å; I131-N133 HydrophobicContact CG2-CB 4.47Å; N133-T162 CarbonylContact C-O 3.41Å; N133-T162 WeakPolarHBondContact CA-O 3.25Å; N133-T162 PolarHBondContact OD1-O 2.96Å; N133-T162 PolarHBondContact OD1-OG1 3.4Å; N133-A164 PolarHBondContact OD1-N 2.85Å
134	K	98.1	Very high	95.3	Very high	53 Å²	53	57.8 Å²	57.8	23%	0.23	29%	0.289	C	S	.	.			trans	66.1	34.9	-177.6	-44.4	-167	-162	167.3	0	113.8	G19 D100 T102 D136 L137 T162	G19-K134 WeakPolarHBondContact O-CE 3.49Å; G19-K134 PolarHBondContact O-NZ 2.91Å; D100-K134 VanDerWaalsContact CG-CE 3.44Å; D100-K134 WeakPolarHBondContact OD1-CD 3.4Å; D100-K134 WeakPolarHBondContact OD1-CG 3.45Å; D100-K134 IonicContact OD1-NZ 3.13Å; D100-K134 WeakPolarHBondContact OD2-CE 3.3Å; D100-K134 IonicContact OD2-NZ 2.79Å; D100-K134 PolarHBondContact OD2-NZ 2.73Å; T102-K134 HydrophobicContact CG2-CB 4.44Å; K134-D136 WeakPolarHBondContact CA-OD1 3.31Å; K134-D136 PolarHBondContact O-N 3.42Å; K134-D136 VanDerWaalsContact O-N 3.08Å; K134-L137 HydrophobicContact CB-CD1 4.06Å; K134-L137 HydrophobicContact CB-CG 4.29Å; K134-L137 HydrophobicContact CD-CD1 4.02Å; K134-L137 PolarHBondContact O-N 3.16Å; K134-T162 PolarHBondContact N-O 2.88Å; K134-T162 VanDerWaalsContact N-O 3.08Å
135	A	98.2	Very high	96.4	Very high	9 Å²	9	53.5 Å²	53.5	7%	0.074	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.5	177.7	0	0	0	0	0	113.8	L101 L137 E161 T162	L101-A135 HydrophobicContact CD1-CB 3.74Å; A135-L137 VanDerWaalsContact C-N 3.3Å; A135-E161 HydrophobicContact CB-CB 4.22Å; A135-T162 VanDerWaalsContact CB-O 3.3Å; A135-T162 WeakPolarHBondContact CB-O 3.47Å; A135-T162 PolarHBondContact N-O 2.84Å
136	D	97.9	Very high	97.2	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.4	173	55.6	-68.3	0	0	0	113.9	K134 L138 S163 A165 T166	K134-D136 WeakPolarHBondContact CA-OD1 3.31Å; K134-D136 PolarHBondContact O-N 3.42Å; K134-D136 VanDerWaalsContact O-N 3.08Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.38Å; D136-L138 VanDerWaalsContact O-N 3.16Å; D136-S163 VanDerWaalsContact OD1-CB 3.25Å; D136-S163 WeakPolarHBondContact OD1-CB 3.24Å; D136-S163 PolarHBondContact OD1-OG 3.02Å; D136-A165 WeakPolarHBondContact OD2-CB 3.45Å; D136-T166 HydrophobicContact CB-CG2 4Å
137	L	97.1	Very high	97.7	Very high	53 Å²	53	59.3 Å²	59.3	28%	0.277	28%	0.283	S	S	.	.			trans	-90.9	57.9	-178.6	-57.7	-176.9	0	0	0	111.8	T102 K134 A135 D139 Q140 R141	T102-L137 HydrophobicContact CG2-CB 3.66Å; T102-L137 HydrophobicContact CG2-CD1 3.88Å; T102-L137 HydrophobicContact CG2-CG 4.4Å; K134-L137 HydrophobicContact CB-CD1 4.06Å; K134-L137 HydrophobicContact CB-CG 4.29Å; K134-L137 HydrophobicContact CD-CD1 4.02Å; K134-L137 PolarHBondContact O-N 3.16Å; A135-L137 VanDerWaalsContact C-N 3.3Å; L137-D139 VanDerWaalsContact C-N 3.3Å; L137-D139 PolarHBondContact O-N 3.31Å; L137-Q140 HydrophobicContact CB-CB 4.29Å; L137-Q140 PolarHBondContact O-N 3.19Å; L137-R141 PolarHBondContact O-N 3.02Å
138	L	96.1	Very high	97.8	Very high	124 Å²	124	58.1 Å²	58.1	65%	0.649	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-54	-43.4	-175.5	-67.7	167	0	0	0	113.1	D136 Q140 R141	D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.38Å; D136-L138 VanDerWaalsContact O-N 3.16Å; L138-Q140 PolarHBondContact O-N 3.05Å; L138-R141 WeakPolarHBondContact O-CB 3.22Å; L138-R141 PolarHBondContact O-N 3.11Å
139	D	97.4	Very high	97.8	Very high	172 Å²	172	63.1 Å²	63.1	92%	0.92	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-70.1	-15.2	-178	-59.8	-38	0	0	0	113.6	L137	L137-D139 VanDerWaalsContact C-N 3.3Å; L137-D139 PolarHBondContact O-N 3.31Å
140	Q	97.5	Very high	97.8	Very high	117 Å²	117	68.3 Å²	68.3	55%	0.547	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-109.2	6	179.9	-60.3	175.9	36.1	0	0	112	T102 L137 L138 E142	T102-Q140 VanDerWaalsContact CA-O 3.3Å; T102-Q140 WeakPolarHBondContact CA-O 3.36Å; T102-Q140 WeakPolarHBondContact CB-O 3.3Å; T102-Q140 HydrophobicContact CG2-CB 3.74Å; L137-Q140 HydrophobicContact CB-CB 4.29Å; L137-Q140 PolarHBondContact O-N 3.19Å; L138-Q140 PolarHBondContact O-N 3.05Å; Q140-E142 PolarHBondContact O-N 2.91Å
141	R	98.3	Very high	97.8	Very high	75 Å²	75	68.6 Å²	68.6	28%	0.283	32%	0.321	S	S	.	.			trans	-62.5	125	-178.3	175.7	-178	-81.5	-110.8	9.9	110.5	L137 L138 V143 E161	L137-R141 PolarHBondContact O-N 3.02Å; L138-R141 WeakPolarHBondContact O-CB 3.22Å; L138-R141 PolarHBondContact O-N 3.11Å; R141-V143 WeakPolarHBondContact CD-O 3.16Å; R141-V143 VanDerWaalsContact CG-O 3.3Å; R141-V143 WeakPolarHBondContact CG-O 3.5Å; R141-V143 PolarHBondContact NH1-O 3.46Å; R141-E161 IonicContact CZ-OE1 3.67Å; R141-E161 IonicContact CZ-OE2 3.67Å; R141-E161 IonicContact NH1-OE1 3.83Å; R141-E161 PolarHBondContact NH1-OE1 2.72Å; R141-E161 IonicContact NH1-OE2 2.62Å; R141-E161 IonicContact NH2-OE1 2.65Å; R141-E161 PolarHBondContact NH2-OE1 3.27Å; R141-E161 VanDerWaalsContact NH2-OE1 3.08Å; R141-E161 IonicContact NH2-OE2 3.39Å; R141-E161 PolarHBondContact NH2-OE2 3.06Å
142	E	98.2	Very high	97.7	Very high	115 Å²	115	68.8 Å²	68.8	54%	0.537	32%	0.322	S	S	.	.			trans	-106.2	-27.4	172.6	-63	-168.8	168.3	0	0	112.3	L101 S103 Q104 Q140	L101-E142 PolarHBondContact O-N 3.44Å; S103-E142 WeakPolarHBondContact CA-OE2 3.48Å; Q104-E142 HydrophobicContact CB-CB 4.33Å; Q104-E142 PolarHBondContact N-OE2 3.41Å; Q104-E142 PolarHBondContact OE1-O 3.19Å; Q140-E142 PolarHBondContact O-N 2.91Å
143	V	98.1	Very high	97.7	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-101.9	122.6	-175.6	-174.7	0	0	0	0	110.9	F99 L101 F107 R141 A148	F99-V143 HydrophobicContact CD2-CG2 4.44Å; F99-V143 HydrophobicContact CE2-CB 4.1Å; F99-V143 HydrophobicContact CE2-CG1 3.81Å; F99-V143 HydrophobicContact CE2-CG2 4.18Å; F99-V143 HydrophobicContact CZ-CG1 4.34Å; L101-V143 HydrophobicContact CD2-CB 4.33Å; L101-V143 PolarHBondContact O-N 3.46Å; L101-V143 VanDerWaalsContact O-N 3.09Å; F107-V143 HydrophobicContact CB-CG1 4.21Å; F107-V143 HydrophobicContact CB-CG2 3.67Å; F107-V143 HydrophobicContact CD1-CG1 3.94Å; F107-V143 HydrophobicContact CD1-CG2 4.49Å; F107-V143 HydrophobicContact CD2-CG1 4Å; F107-V143 HydrophobicContact CE1-CG1 4.3Å; F107-V143 HydrophobicContact CE2-CG1 4.35Å; F107-V143 HydrophobicContact CG-CG1 3.78Å; F107-V143 HydrophobicContact CG-CG2 4.14Å; F107-V143 HydrophobicContact CZ-CG1 4.49Å; R141-V143 WeakPolarHBondContact CD-O 3.16Å; R141-V143 VanDerWaalsContact CG-O 3.3Å; R141-V143 WeakPolarHBondContact CG-O 3.5Å; R141-V143 PolarHBondContact NH1-O 3.46Å; V143-A148 HydrophobicContact CG1-CB 4.39Å
144	N	95.9	Very high	97.6	Very high	88 Å²	88	83 Å²	83	47%	0.471	39%	0.387	S	S	.	.			trans	-75.5	135.8	176.4	-169.7	-53.5	0	0	0	110.9	R146 Q147 A148	N144-R146 PolarHBondContact O-N 3.15Å; N144-R146 WeakPolarHBondContact OD1-CB 3.46Å; N144-R146 PolarHBondContact OD1-N 3.26Å; N144-Q147 HydrophobicContact CB-CG 4.25Å; N144-Q147 PolarHBondContact O-N 3.34Å; N144-Q147 VanDerWaalsContact O-N 3.08Å; N144-A148 PolarHBondContact O-N 3Å
145	E	96.9	Very high	97.5	Very high	76 Å²	76	83.3 Å²	83.3	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-52.4	-39.6	177.1	-171.6	-175.5	165.6	0	0	112.6	Q147 A148 R149 Y159 E161	E145-Q147 PolarHBondContact O-N 3.41Å; E145-A148 PolarHBondContact O-N 3.24Å; E145-R149 HydrophobicContact CG-CG 4.45Å; E145-R149 WeakPolarHBondContact O-CB 3.36Å; E145-R149 WeakPolarHBondContact O-CG 3.21Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.07Å; E145-R149 IonicContact OE1-NE 3.19Å; E145-R149 PolarHBondContact OE1-NE 3.15Å; E145-R149 IonicContact OE1-NH2 3.02Å; E145-R149 PolarHBondContact OE1-NH2 3.23Å; E145-Y159 HydrophobicContact CG-CE1 4.19Å; E145-E161 WeakPolarHBondContact CB-OE1 3.36Å
146	R	97.6	Very high	97.4	Very high	176 Å²	176	86.1 Å²	86.1	66%	0.664	42%	0.416	S	S	*	.	H	α-helix	trans	-60.1	-47	178.4	-174.2	-174.7	-60.2	-176.3	0.7	111.7	N144 A148 R149 E150	N144-R146 PolarHBondContact O-N 3.15Å; N144-R146 WeakPolarHBondContact OD1-CB 3.46Å; N144-R146 PolarHBondContact OD1-N 3.26Å; R146-A148 VanDerWaalsContact C-N 3.29Å; R146-A148 PolarHBondContact O-N 3Å; R146-R149 PolarHBondContact O-N 3.01Å; R146-E150 HydrophobicContact CG-CG 4.46Å; R146-E150 WeakPolarHBondContact CG-OE1 3.43Å; R146-E150 WeakPolarHBondContact O-CB 3.37Å; R146-E150 WeakPolarHBondContact O-CG 3.36Å; R146-E150 PolarHBondContact O-N 3.39Å
147	Q	96.9	Very high	97.3	Very high	91 Å²	91	84.3 Å²	84.3	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-38.6	-179.3	-67.9	175.9	-43.3	0	0	111.3	F107 N144 E145 L151	F107-Q147 HydrophobicContact CE1-CB 4.38Å; F107-Q147 HydrophobicContact CZ-CB 4.42Å; N144-Q147 HydrophobicContact CB-CG 4.25Å; N144-Q147 PolarHBondContact O-N 3.34Å; N144-Q147 VanDerWaalsContact O-N 3.08Å; E145-Q147 PolarHBondContact O-N 3.41Å; Q147-L151 PolarHBondContact O-N 3.2Å; Q147-L151 VanDerWaalsContact O-N 3.08Å
148	A	98.2	Very high	97.4	Very high	0 Å²	0	83.5 Å²	83.5	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-68.8	-40.1	176.8	0	0	0	0	0	112.4	F99 F107 V143 N144 E145 R146 L151 A152 Y159	F99-A148 HydrophobicContact CE1-CB 4.45Å; F99-A148 HydrophobicContact CZ-CB 3.81Å; F107-A148 HydrophobicContact CE2-CB 3.92Å; F107-A148 HydrophobicContact CZ-CB 4.4Å; V143-A148 HydrophobicContact CG1-CB 4.39Å; N144-A148 PolarHBondContact O-N 3Å; E145-A148 PolarHBondContact O-N 3.24Å; R146-A148 VanDerWaalsContact C-N 3.29Å; R146-A148 PolarHBondContact O-N 3Å; A148-L151 PolarHBondContact O-N 3.27Å; A148-A152 PolarHBondContact O-N 3.34Å; A148-Y159 HydrophobicContact CB-CD2 4.47Å; A148-Y159 HydrophobicContact CB-CE1 3.86Å; A148-Y159 HydrophobicContact CB-CE2 3.74Å; A148-Y159 VanDerWaalsContact CB-OH 3.27Å; A148-Y159 WeakPolarHBondContact CB-OH 3.35Å
149	R	98.4	Very high	97.5	Very high	112 Å²	112	78.5 Å²	78.5	42%	0.423	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-47.4	172.9	-75.8	-178.7	-175.7	-74.4	-1.7	112.2	E145 R146 L151 A152 E153 Y159	E145-R149 HydrophobicContact CG-CG 4.45Å; E145-R149 WeakPolarHBondContact O-CB 3.36Å; E145-R149 WeakPolarHBondContact O-CG 3.21Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.07Å; E145-R149 IonicContact OE1-NE 3.19Å; E145-R149 PolarHBondContact OE1-NE 3.15Å; E145-R149 IonicContact OE1-NH2 3.02Å; E145-R149 PolarHBondContact OE1-NH2 3.23Å; R146-R149 PolarHBondContact O-N 3.01Å; R149-L151 VanDerWaalsContact C-N 3.26Å; R149-L151 PolarHBondContact O-N 3.39Å; R149-A152 WeakPolarHBondContact O-CB 3.35Å; R149-A152 PolarHBondContact O-N 3.11Å; R149-A152 VanDerWaalsContact O-N 3.09Å; R149-E153 WeakPolarHBondContact O-CB 3.47Å; R149-E153 WeakPolarHBondContact O-CG 3.32Å; R149-E153 PolarHBondContact O-N 3.36Å; R149-Y159 HydrophobicContact CG-CD1 3.58Å; R149-Y159 HydrophobicContact CG-CE1 3.98Å
150	E	98.3	Very high	97.6	Very high	110 Å²	110	71.6 Å²	71.6	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-39.2	176.1	-74.5	170.8	-175.4	0	0	111.7	R146 K154	R146-E150 HydrophobicContact CG-CG 4.46Å; R146-E150 WeakPolarHBondContact CG-OE1 3.43Å; R146-E150 WeakPolarHBondContact O-CB 3.37Å; R146-E150 WeakPolarHBondContact O-CG 3.36Å; R146-E150 PolarHBondContact O-N 3.39Å; E150-K154 WeakPolarHBondContact O-CB 3.36Å; E150-K154 PolarHBondContact O-N 2.85Å
151	L	97.9	Very high	97.7	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-66.3	-42.9	175.3	-171.2	68.3	0	0	0	111.8	F107 V110 R111 Q147 A148 R149 K154 Y155	F107-L151 HydrophobicContact CD2-CD2 4.24Å; F107-L151 HydrophobicContact CE2-CB 4.18Å; F107-L151 HydrophobicContact CE2-CD2 3.44Å; F107-L151 VanDerWaalsContact CE2-CD2 3.44Å; F107-L151 HydrophobicContact CE2-CG 4.45Å; F107-L151 HydrophobicContact CZ-CB 3.98Å; F107-L151 HydrophobicContact CZ-CD2 3.67Å; F107-L151 HydrophobicContact CZ-CG 4.42Å; V110-L151 HydrophobicContact CB-CD2 4.12Å; V110-L151 HydrophobicContact CG1-CD2 3.82Å; R111-L151 HydrophobicContact CG-CD1 4.35Å; Q147-L151 PolarHBondContact O-N 3.2Å; Q147-L151 VanDerWaalsContact O-N 3.08Å; A148-L151 PolarHBondContact O-N 3.27Å; R149-L151 VanDerWaalsContact C-N 3.26Å; R149-L151 PolarHBondContact O-N 3.39Å; L151-K154 WeakPolarHBondContact O-CB 3.15Å; L151-K154 PolarHBondContact O-N 2.9Å; L151-Y155 HydrophobicContact CD1-CD2 4.21Å; L151-Y155 HydrophobicContact CD1-CE2 3.61Å; L151-Y155 HydrophobicContact CG-CD2 4.1Å; L151-Y155 HydrophobicContact CG-CE2 3.86Å; L151-Y155 WeakPolarHBondContact O-CD2 3.08Å; L151-Y155 PolarHBondContact O-N 2.92Å
152	A	98.3	Very high	97.7	Very high	3 Å²	3	63.5 Å²	63.5	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-43.9	178.4	0	0	0	0	0	112	L130 A148 R149 K154 Y155 G156 I157 Y159	L130-A152 HydrophobicContact CD2-CB 3.97Å; A148-A152 PolarHBondContact O-N 3.34Å; R149-A152 WeakPolarHBondContact O-CB 3.35Å; R149-A152 PolarHBondContact O-N 3.11Å; R149-A152 VanDerWaalsContact O-N 3.09Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.25Å; A152-Y155 CarbonylContact O-C 3.41Å; A152-Y155 PolarHBondContact O-N 3.07Å; A152-Y155 VanDerWaalsContact O-N 3.11Å; A152-G156 PolarHBondContact O-N 3.18Å; A152-I157 HydrophobicContact CB-CG1 4.24Å; A152-I157 WeakPolarHBondContact CB-O 3.31Å; A152-I157 PolarHBondContact O-N 2.98Å; A152-Y159 HydrophobicContact CB-CG 4.41Å
153	E	97.9	Very high	97.7	Very high	145 Å²	145	58 Å²	58	68%	0.678	28%	0.279	S	S	*	.	H	α-helix	trans	-59.5	-43.2	174.3	-74.2	172.7	-169.6	0	0	111.4	R149 Y155 G156	R149-E153 WeakPolarHBondContact O-CB 3.47Å; R149-E153 WeakPolarHBondContact O-CG 3.32Å; R149-E153 PolarHBondContact O-N 3.36Å; E153-Y155 PolarHBondContact O-N 2.83Å; E153-G156 PolarHBondContact O-N 3.43Å
154	K	96.7	Very high	97.7	Very high	157 Å²	157	58.2 Å²	58.2	68%	0.683	28%	0.28	S	S	*	.	H	α-helix	trans	-57.1	-35.6	175.2	-180	-179.7	179.2	178.4	0	112.7	E150 L151 A152	E150-K154 WeakPolarHBondContact O-CB 3.36Å; E150-K154 PolarHBondContact O-N 2.85Å; L151-K154 WeakPolarHBondContact O-CB 3.15Å; L151-K154 PolarHBondContact O-N 2.9Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.25Å
155	Y	95.2	Very high	97.8	Very high	59 Å²	59	55.2 Å²	55.2	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-91.8	-5.8	177.8	-70.3	-62.5	0	0	0	113.6	M114 L151 A152 E153 I157	M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.43Å; M114-Y155 HydrophobicContact CE-CD1 3.57Å; M114-Y155 HydrophobicContact CE-CD2 4.19Å; M114-Y155 HydrophobicContact CE-CE1 4.08Å; M114-Y155 HydrophobicContact CE-CG 3.65Å; M114-Y155 HydrophobicContact CG-CD2 4.19Å; M114-Y155 HydrophobicContact CG-CE1 4.21Å; M114-Y155 HydrophobicContact CG-CE2 3.87Å; L151-Y155 HydrophobicContact CD1-CD2 4.21Å; L151-Y155 HydrophobicContact CD1-CE2 3.61Å; L151-Y155 HydrophobicContact CG-CD2 4.1Å; L151-Y155 HydrophobicContact CG-CE2 3.86Å; L151-Y155 WeakPolarHBondContact O-CD2 3.08Å; L151-Y155 PolarHBondContact O-N 2.92Å; A152-Y155 CarbonylContact O-C 3.41Å; A152-Y155 PolarHBondContact O-N 3.07Å; A152-Y155 VanDerWaalsContact O-N 3.11Å; E153-Y155 PolarHBondContact O-N 2.83Å; Y155-I157 VanDerWaalsContact C-N 3.32Å; Y155-I157 PolarHBondContact O-N 3.06Å
156	G	96.3	Very high	97.8	Very high	68 Å²	68	55.8 Å²	55.8	70%	0.701	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	30.5	-176.9	0	0	0	0	0	113.9	A152 E153	A152-G156 PolarHBondContact O-N 3.18Å; E153-G156 PolarHBondContact O-N 3.43Å
157	I	97.4	Very high	97.8	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.118	26%	0.258	C	S	.	.			trans	-115.9	147.7	-175.6	62.1	-178.8	0	0	0	111.3	M114 I128 L130 A152 Y155	M114-I157 HydrophobicContact CE-CD1 4.35Å; M114-I157 HydrophobicContact SD-CD1 4.33Å; I128-I157 HydrophobicContact CB-CG2 4.03Å; I128-I157 HydrophobicContact CG2-CD1 4.02Å; L130-I157 HydrophobicContact CB-CD1 3.86Å; L130-I157 HydrophobicContact CB-CG1 4.31Å; A152-I157 HydrophobicContact CB-CG1 4.24Å; A152-I157 WeakPolarHBondContact CB-O 3.31Å; A152-I157 PolarHBondContact O-N 2.98Å; Y155-I157 VanDerWaalsContact C-N 3.32Å; Y155-I157 PolarHBondContact O-N 3.06Å
158	P	98.4	Very high	97.9	Very high	37 Å²	37	48.6 Å²	48.6	24%	0.24	26%	0.258	C	S	.	.			trans	-62.9	149.5	173.4	-20.9	32.9	0	0	0	112.2	I128 V129 L130 F160 T176 L180	I128-P158 WeakPolarHBondContact O-CD 3.46Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.3Å; L130-P158 PolarHBondContact N-O 2.93Å; P158-F160 HydrophobicContact CB-CE2 3.95Å; P158-T176 HydrophobicContact CB-CG2 4.08Å; P158-T176 HydrophobicContact CG-CG2 4Å; P158-L180 HydrophobicContact CG-CD1 3.87Å
159	Y	98.7	Very high	97.9	Very high	18 Å²	18	51.2 Å²	51.2	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.1	176.5	172.9	-115.9	0	0	0	111.8	F99 L130 E145 A148 R149 A152 E161	F99-Y159 AromaticContact CE1-CE2 3.83Å; F99-Y159 HydrophobicContact CE1-CE2 3.83Å; F99-Y159 AromaticContact CZ-CE2 3.87Å; F99-Y159 HydrophobicContact CZ-CE2 3.87Å; L130-Y159 HydrophobicContact CB-CD2 4.12Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.44Å; L130-Y159 HydrophobicContact CG-CD2 3.87Å; L130-Y159 HydrophobicContact CG-CE2 4.42Å; L130-Y159 WeakPolarHBondContact O-CA 3.37Å; L130-Y159 WeakPolarHBondContact O-CD2 3.45Å; E145-Y159 HydrophobicContact CG-CE1 4.19Å; A148-Y159 HydrophobicContact CB-CD2 4.47Å; A148-Y159 HydrophobicContact CB-CE1 3.86Å; A148-Y159 HydrophobicContact CB-CE2 3.74Å; A148-Y159 VanDerWaalsContact CB-OH 3.27Å; A148-Y159 WeakPolarHBondContact CB-OH 3.35Å; R149-Y159 HydrophobicContact CG-CD1 3.58Å; R149-Y159 HydrophobicContact CG-CE1 3.98Å; A152-Y159 HydrophobicContact CB-CG 4.41Å; Y159-E161 HydrophobicContact CE1-CG 3.83Å; Y159-E161 HydrophobicContact CE2-CG 4.47Å; Y159-E161 WeakPolarHBondContact OH-CG 3.47Å; Y159-E161 PolarHBondContact OH-OE1 2.9Å; Y159-E161 VanDerWaalsContact OH-OE1 3.04Å
160	F	98.8	Very high	97.9	Very high	27 Å²	27	46.1 Å²	46.1	12%	0.118	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.5	172.7	-63.7	-90.6	0	0	0	111.1	V129 L130 I131 G132 P158 T162 N169 K172 T176	V129-F160 HydrophobicContact CG1-CD2 3.55Å; V129-F160 HydrophobicContact CG1-CE2 3.94Å; L130-F160 PolarHBondContact O-N 3.28Å; I131-F160 WeakPolarHBondContact CA-O 3.49Å; G132-F160 PolarHBondContact N-O 2.81Å; P158-F160 HydrophobicContact CB-CE2 3.95Å; F160-T162 HydrophobicContact CB-CG2 4.01Å; F160-N169 HydrophobicContact CD1-CB 4.48Å; F160-K172 HydrophobicContact CD1-CD 4.45Å; F160-K172 HydrophobicContact CE1-CD 3.84Å; F160-K172 HydrophobicContact CE1-CG 3.83Å; F160-K172 HydrophobicContact CZ-CG 4.4Å; F160-T176 HydrophobicContact CE2-CG2 3.92Å; F160-T176 HydrophobicContact CZ-CG2 4.03Å; F160-T176 VanDerWaalsContact CZ-OG1 3.25Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.49Å
161	E	98.7	Very high	97.9	Very high	23 Å²	23	45.8 Å²	45.8	11%	0.107	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.9	159.5	-68.3	-169.7	165.6	0	0	109.3	L101 G132 A135 R141 E145 Y159 N169	L101-E161 HydrophobicContact CD1-CB 4.25Å; L101-E161 HydrophobicContact CD1-CG 4.08Å; L101-E161 HydrophobicContact CD2-CG 4.38Å; G132-E161 CarbonylContact O-C 3.51Å; G132-E161 VanDerWaalsContact O-CA 3.26Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; A135-E161 HydrophobicContact CB-CB 4.22Å; R141-E161 IonicContact CZ-OE1 3.67Å; R141-E161 IonicContact CZ-OE2 3.67Å; R141-E161 IonicContact NH1-OE1 3.83Å; R141-E161 PolarHBondContact NH1-OE1 2.72Å; R141-E161 IonicContact NH1-OE2 2.62Å; R141-E161 IonicContact NH2-OE1 2.65Å; R141-E161 PolarHBondContact NH2-OE1 3.27Å; R141-E161 VanDerWaalsContact NH2-OE1 3.08Å; R141-E161 IonicContact NH2-OE2 3.39Å; R141-E161 PolarHBondContact NH2-OE2 3.06Å; E145-E161 WeakPolarHBondContact CB-OE1 3.36Å; Y159-E161 HydrophobicContact CE1-CG 3.83Å; Y159-E161 HydrophobicContact CE2-CG 4.47Å; Y159-E161 WeakPolarHBondContact OH-CG 3.47Å; Y159-E161 PolarHBondContact OH-OE1 2.9Å; Y159-E161 VanDerWaalsContact OH-OE1 3.04Å; E161-N169 VanDerWaalsContact O-CB 3.32Å; E161-N169 WeakPolarHBondContact O-CB 3.25Å; E161-N169 PolarHBondContact O-ND2 3.24Å
162	T	98.8	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.			trans	-127.7	159.1	-173.4	67.4	0	0	0	0	110.9	F25 I131 G132 N133 K134 A135 F160 Q168 N169	F25-T162 HydrophobicContact CE2-CG2 4.1Å; I131-T162 HydrophobicContact CG2-CG2 3.67Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.38Å; G132-T162 PolarHBondContact O-N 3.4Å; N133-T162 CarbonylContact C-O 3.41Å; N133-T162 WeakPolarHBondContact CA-O 3.25Å; N133-T162 PolarHBondContact OD1-O 2.96Å; N133-T162 PolarHBondContact OD1-OG1 3.4Å; K134-T162 PolarHBondContact N-O 2.88Å; K134-T162 VanDerWaalsContact N-O 3.08Å; A135-T162 VanDerWaalsContact CB-O 3.3Å; A135-T162 WeakPolarHBondContact CB-O 3.47Å; A135-T162 PolarHBondContact N-O 2.84Å; F160-T162 HydrophobicContact CB-CG2 4.01Å; T162-Q168 VanDerWaalsContact CA-O 3.22Å; T162-Q168 WeakPolarHBondContact CA-O 3.22Å; T162-Q168 WeakPolarHBondContact CB-O 3.37Å; T162-N169 HydrophobicContact CG2-CB 3.87Å
163	S	98.4	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.			trans	-133.4	113.5	167.5	170.8	0	0	0	0	109.1	D136 A165 T166 G167 Q168	D136-S163 VanDerWaalsContact OD1-CB 3.25Å; D136-S163 WeakPolarHBondContact OD1-CB 3.24Å; D136-S163 PolarHBondContact OD1-OG 3.02Å; S163-A165 PolarHBondContact O-N 2.88Å; S163-A165 PolarHBondContact OG-N 2.92Å; S163-T166 VanDerWaalsContact CB-OG1 3.25Å; S163-T166 WeakPolarHBondContact CB-OG1 3.27Å; S163-T166 PolarHBondContact O-N 3.43Å; S163-T166 PolarHBondContact OG-N 3.13Å; S163-T166 PolarHBondContact OG-OG1 2.9Å; S163-G167 CarbonylContact O-C 3.51Å; S163-G167 VanDerWaalsContact O-CA 3.27Å; S163-G167 WeakPolarHBondContact O-CA 3.49Å; S163-G167 PolarHBondContact O-N 3.49Å; S163-Q168 PolarHBondContact N-O 2.79Å; S163-Q168 PolarHBondContact O-N 3.36Å
164	A	97.9	Very high	98	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.7	168.5	0	0	0	0	0	111.9	F25 R28 F34 N133	F25-A164 HydrophobicContact CB-CB 4.43Å; R28-A164 PolarHBondContact NE-O 3.46Å; R28-A164 PolarHBondContact NH2-O 3.17Å; F34-A164 HydrophobicContact CD2-CB 4.16Å; F34-A164 WeakPolarHBondContact CD2-O 3.18Å; F34-A164 HydrophobicContact CE2-CB 4.31Å; N133-A164 PolarHBondContact OD1-N 2.85Å
165	A	97.5	Very high	98	Very high	25 Å²	25	41.3 Å²	41.3	21%	0.207	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-46.7	179.4	0	0	0	0	0	111.9	R28 F34 D136 S163	R28-A165 PolarHBondContact NH2-O 3Å; F34-A165 HydrophobicContact CD1-CB 4.17Å; F34-A165 HydrophobicContact CD2-CB 4.35Å; F34-A165 HydrophobicContact CE1-CB 3.84Å; F34-A165 HydrophobicContact CE2-CB 4.05Å; F34-A165 HydrophobicContact CG-CB 4.4Å; F34-A165 HydrophobicContact CZ-CB 3.78Å; D136-A165 WeakPolarHBondContact OD2-CB 3.45Å; S163-A165 PolarHBondContact O-N 2.88Å; S163-A165 PolarHBondContact OG-N 2.92Å
166	T	97.6	Very high	98.2	Very high	89 Å²	89	40.2 Å²	40.2	55%	0.546	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.9	-177.6	69	0	0	0	0	113.8	D136 S163 Q168	D136-T166 HydrophobicContact CB-CG2 4Å; S163-T166 VanDerWaalsContact CB-OG1 3.25Å; S163-T166 WeakPolarHBondContact CB-OG1 3.27Å; S163-T166 PolarHBondContact O-N 3.43Å; S163-T166 PolarHBondContact OG-N 3.13Å; S163-T166 PolarHBondContact OG-OG1 2.9Å; T166-Q168 VanDerWaalsContact C-N 3.32Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.43Å; T166-Q168 PolarHBondContact OG1-N 3.27Å
167	G	98	Very high	98.3	Very high	27 Å²	27	37 Å²	37	28%	0.278	20%	0.196	S	C	.	.			trans	86.9	-2.3	-171.4	0	0	0	0	0	114	S163 N169 V170	S163-G167 CarbonylContact O-C 3.51Å; S163-G167 VanDerWaalsContact O-CA 3.27Å; S163-G167 WeakPolarHBondContact O-CA 3.49Å; S163-G167 PolarHBondContact O-N 3.49Å; G167-N169 PolarHBondContact O-N 3.36Å; G167-V170 PolarHBondContact O-N 3.47Å
168	Q	98.6	Very high	98.3	Very high	89 Å²	89	36.1 Å²	36.1	42%	0.416	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.5	-179.1	178.1	-178.9	-12.4	0	0	111.6	T162 S163 T166 V170	T162-Q168 VanDerWaalsContact CA-O 3.22Å; T162-Q168 WeakPolarHBondContact CA-O 3.22Å; T162-Q168 WeakPolarHBondContact CB-O 3.37Å; S163-Q168 PolarHBondContact N-O 2.79Å; S163-Q168 PolarHBondContact O-N 3.36Å; T166-Q168 VanDerWaalsContact C-N 3.32Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.43Å; T166-Q168 PolarHBondContact OG1-N 3.27Å; Q168-V170 PolarHBondContact O-N 2.99Å
169	N	98.5	Very high	98.2	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	5.9	176.4	-66.9	-35.4	0	0	0	116.4	F160 E161 T162 G167 S173	F160-N169 HydrophobicContact CD1-CB 4.48Å; E161-N169 VanDerWaalsContact O-CB 3.32Å; E161-N169 WeakPolarHBondContact O-CB 3.25Å; E161-N169 PolarHBondContact O-ND2 3.24Å; T162-N169 HydrophobicContact CG2-CB 3.87Å; G167-N169 PolarHBondContact O-N 3.36Å; N169-S173 WeakPolarHBondContact O-CB 3.25Å; N169-S173 PolarHBondContact O-N 3.34Å; N169-S173 PolarHBondContact O-OG 2.99Å; N169-S173 VanDerWaalsContact O-OG 3.06Å
170	V	98.7	Very high	98.1	Very high	4 Å²	4	38 Å²	38	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-55	-179	172.8	0	0	0	0	110.1	F25 R28 Y29 G167 Q168 S173 V174	F25-V170 HydrophobicContact CD2-CB 4.48Å; F25-V170 HydrophobicContact CD2-CG1 4.12Å; F25-V170 HydrophobicContact CD2-CG2 3.94Å; F25-V170 HydrophobicContact CE1-CG1 4.23Å; F25-V170 HydrophobicContact CE2-CB 4.05Å; F25-V170 HydrophobicContact CE2-CG1 3.81Å; F25-V170 HydrophobicContact CE2-CG2 3.88Å; F25-V170 HydrophobicContact CG-CG1 4.46Å; F25-V170 HydrophobicContact CZ-CB 4.44Å; F25-V170 HydrophobicContact CZ-CG1 3.86Å; R28-V170 HydrophobicContact CB-CG1 4.44Å; R28-V170 HydrophobicContact CG-CB 4.26Å; R28-V170 HydrophobicContact CG-CG1 4.08Å; R28-V170 HydrophobicContact CG-CG2 3.96Å; Y29-V170 HydrophobicContact CD2-CG1 4.36Å; G167-V170 PolarHBondContact O-N 3.47Å; Q168-V170 PolarHBondContact O-N 2.99Å; V170-S173 PolarHBondContact O-N 2.83Å; V170-S173 PolarHBondContact O-OG 3.08Å; V170-V174 WeakPolarHBondContact O-CG2 3.19Å; V170-V174 PolarHBondContact O-N 2.83Å
171	E	98	Very high	97.9	Very high	104 Å²	104	36.7 Å²	36.7	49%	0.486	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-50.8	179.4	-176.7	153	-124.1	0	0	111.9	Y29 K49 S173 V174 E175	Y29-E171 HydrophobicContact CE2-CG 4.34Å; K49-E171 IonicContact NZ-OE1 3.5Å; E171-S173 VanDerWaalsContact C-N 3.27Å; E171-S173 PolarHBondContact O-N 3.31Å; E171-V174 PolarHBondContact O-N 2.97Å; E171-E175 HydrophobicContact CG-CG 4.19Å; E171-E175 VanDerWaalsContact CG-OE1 3.27Å; E171-E175 WeakPolarHBondContact CG-OE1 3.18Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.82Å
172	K	98.4	Very high	97.7	Very high	118 Å²	118	35.7 Å²	35.7	51%	0.513	19%	0.191	S	C	.	.	H	α-helix	trans	-54	-40.2	178.9	-171.3	177.5	-175.7	179.6	0	113.6	F160 T176	F160-K172 HydrophobicContact CD1-CD 4.45Å; F160-K172 HydrophobicContact CE1-CD 3.84Å; F160-K172 HydrophobicContact CE1-CG 3.83Å; F160-K172 HydrophobicContact CZ-CG 4.4Å; K172-T176 WeakPolarHBondContact O-CB 3.32Å; K172-T176 PolarHBondContact O-N 3.03Å; K172-T176 PolarHBondContact O-OG1 3.09Å
173	S	98.6	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.7	-38.1	179.8	64.9	0	0	0	0	112.6	F25 N169 V170 E171 L177	F25-S173 WeakPolarHBondContact CZ-OG 3.35Å; N169-S173 WeakPolarHBondContact O-CB 3.25Å; N169-S173 PolarHBondContact O-N 3.34Å; N169-S173 PolarHBondContact O-OG 2.99Å; N169-S173 VanDerWaalsContact O-OG 3.06Å; V170-S173 PolarHBondContact O-N 2.83Å; V170-S173 PolarHBondContact O-OG 3.08Å; E171-S173 VanDerWaalsContact C-N 3.27Å; E171-S173 PolarHBondContact O-N 3.31Å; S173-L177 PolarHBondContact O-N 3.22Å
174	V	98.5	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-42.1	175.4	-179.5	0	0	0	0	111	L12 F25 Y29 L70 L96 V170 E171 T176 L177 L178	L12-V174 HydrophobicContact CD1-CG1 4.03Å; F25-V174 HydrophobicContact CE1-CG2 3.75Å; F25-V174 HydrophobicContact CZ-CG2 3.84Å; Y29-V174 HydrophobicContact CD1-CG1 4.36Å; Y29-V174 HydrophobicContact CD1-CG2 4.33Å; Y29-V174 HydrophobicContact CD2-CB 4.18Å; Y29-V174 HydrophobicContact CD2-CG2 3.96Å; Y29-V174 HydrophobicContact CE1-CB 4.36Å; Y29-V174 HydrophobicContact CE1-CG1 3.69Å; Y29-V174 HydrophobicContact CE1-CG2 4.43Å; Y29-V174 HydrophobicContact CE2-CB 3.78Å; Y29-V174 HydrophobicContact CE2-CG1 3.9Å; Y29-V174 HydrophobicContact CE2-CG2 4.09Å; Y29-V174 HydrophobicContact CG-CG2 4.09Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.42Å; L70-V174 HydrophobicContact CD1-CG1 4.4Å; L96-V174 HydrophobicContact CD1-CG2 4.24Å; L96-V174 HydrophobicContact CD2-CG2 4.37Å; V170-V174 WeakPolarHBondContact O-CG2 3.19Å; V170-V174 PolarHBondContact O-N 2.83Å; E171-V174 PolarHBondContact O-N 2.97Å; V174-T176 VanDerWaalsContact C-N 3.33Å; V174-T176 PolarHBondContact O-N 2.74Å; V174-L177 PolarHBondContact O-N 3.46Å; V174-L178 PolarHBondContact O-N 3.49Å
175	E	97.7	Very high	96.7	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-39.5	175.8	-72	174.3	165.6	0	0	112.1	E171 L177 L178 D179	E171-E175 HydrophobicContact CG-CG 4.19Å; E171-E175 VanDerWaalsContact CG-OE1 3.27Å; E171-E175 WeakPolarHBondContact CG-OE1 3.18Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.82Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.8Å; E175-L178 PolarHBondContact O-N 3.2Å; E175-D179 WeakPolarHBondContact O-CB 3.37Å; E175-D179 PolarHBondContact O-N 2.57Å
176	T	98.4	Very high	96.2	Very high	36 Å²	36	46.5 Å²	46.5	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-41.9	175	-59.3	0	0	0	0	111	V129 P158 F160 K172 V174 D179 L180	V129-T176 HydrophobicContact CG2-CG2 4.43Å; P158-T176 HydrophobicContact CB-CG2 4.08Å; P158-T176 HydrophobicContact CG-CG2 4Å; F160-T176 HydrophobicContact CE2-CG2 3.92Å; F160-T176 HydrophobicContact CZ-CG2 4.03Å; F160-T176 VanDerWaalsContact CZ-OG1 3.25Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.49Å; K172-T176 WeakPolarHBondContact O-CB 3.32Å; K172-T176 PolarHBondContact O-N 3.03Å; K172-T176 PolarHBondContact O-OG1 3.09Å; V174-T176 VanDerWaalsContact C-N 3.33Å; V174-T176 PolarHBondContact O-N 2.74Å; T176-D179 PolarHBondContact O-N 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.08Å; T176-L180 VanDerWaalsContact O-N 3.09Å
177	L	98.3	Very high	95.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-43	175.6	-179	57.7	0	0	0	111.6	L12 L96 D127 V129 S173 V174 E175 D179 L180 I181	L12-L177 HydrophobicContact CD1-CD2 4.22Å; L12-L177 HydrophobicContact CD2-CD2 3.93Å; L12-L177 HydrophobicContact CD2-CG 4.19Å; L12-L177 HydrophobicContact CG-CD2 4.5Å; L96-L177 HydrophobicContact CD2-CB 4.46Å; L96-L177 HydrophobicContact CD2-CD2 3.63Å; L96-L177 HydrophobicContact CG-CD2 3.75Å; D127-L177 HydrophobicContact CB-CD1 3.84Å; D127-L177 WeakPolarHBondContact O-CD1 3.47Å; V129-L177 HydrophobicContact CB-CB 4.47Å; V129-L177 HydrophobicContact CG2-CB 3.71Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; V129-L177 HydrophobicContact CG2-CG 4.46Å; S173-L177 PolarHBondContact O-N 3.22Å; V174-L177 PolarHBondContact O-N 3.46Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.8Å; L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.05Å; L177-L180 PolarHBondContact O-N 3.39Å; L177-I181 HydrophobicContact CD1-CD1 4.28Å; L177-I181 HydrophobicContact CG-CD1 4.1Å; L177-I181 WeakPolarHBondContact O-CG1 3.05Å; L177-I181 PolarHBondContact O-N 2.81Å; L177-I181 VanDerWaalsContact O-N 3.13Å
178	L	97.7	Very high	94.8	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-46	175.7	175.5	56.8	0	0	0	111.2	I10 V51 Y53 V68 L70 V174 E175 L180 I181 M182	I10-L178 HydrophobicContact CD1-CD1 3.41Å; I10-L178 VanDerWaalsContact CD1-CD1 3.41Å; V51-L178 HydrophobicContact CG2-CD2 3.76Å; Y53-L178 HydrophobicContact CD2-CD2 4.32Å; Y53-L178 HydrophobicContact CD2-CG 4.2Å; V68-L178 HydrophobicContact CG1-CD1 4.08Å; L70-L178 HydrophobicContact CD2-CD1 4.15Å; V174-L178 PolarHBondContact O-N 3.49Å; E175-L178 PolarHBondContact O-N 3.2Å; L178-L180 PolarHBondContact O-N 3.33Å; L178-I181 PolarHBondContact O-N 3.24Å; L178-M182 HydrophobicContact CD1-CG 3.76Å; L178-M182 HydrophobicContact CD1-SD 4.31Å; L178-M182 HydrophobicContact CG-CG 4.22Å; L178-M182 WeakPolarHBondContact O-CB 3.27Å; L178-M182 VanDerWaalsContact O-CG 3.25Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 3.16Å
179	D	96.8	Very high	93.8	Very high	42 Å²	42	50.2 Å²	50.2	23%	0.225	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-42.4	177.8	179.9	68.1	0	0	0	112.6	Y53 E175 T176 L177 I181 M182 K183	Y53-D179 HydrophobicContact CE2-CB 4.05Å; Y53-D179 PolarHBondContact OH-OD1 3.26Å; E175-D179 WeakPolarHBondContact O-CB 3.37Å; E175-D179 PolarHBondContact O-N 2.57Å; T176-D179 PolarHBondContact O-N 3.31Å; L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.05Å; D179-I181 PolarHBondContact O-N 3.38Å; D179-M182 PolarHBondContact O-N 3.1Å; D179-K183 VanDerWaalsContact CG-NZ 3.32Å; D179-K183 WeakPolarHBondContact O-CB 3.3Å; D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.26Å; D179-K183 PolarHBondContact O-N 3.17Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 2.78Å; D179-K183 PolarHBondContact OD1-NZ 3.23Å; D179-K183 VanDerWaalsContact OD2-CE 3.3Å; D179-K183 WeakPolarHBondContact OD2-CE 3.49Å; D179-K183 IonicContact OD2-NZ 2.8Å; D179-K183 PolarHBondContact OD2-NZ 2.98Å
180	L	96.3	Very high	92.5	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-47.3	174.4	-70.5	176.4	0	0	0	111.8	D127 P158 T176 L177 L178 K183 R184	D127-L180 HydrophobicContact CB-CB 4.14Å; P158-L180 HydrophobicContact CG-CD1 3.87Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.08Å; T176-L180 VanDerWaalsContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3.39Å; L178-L180 PolarHBondContact O-N 3.33Å; L180-K183 PolarHBondContact O-N 3.04Å; L180-R184 WeakPolarHBondContact O-CB 3.33Å; L180-R184 PolarHBondContact O-N 3.08Å
181	I	95.3	Very high	90.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-46.7	-179.7	-66.2	165.2	0	0	0	110.7	I10 L12 M93 D127 L177 L178 D179 R184 M185	I10-I181 HydrophobicContact CD1-CG2 4Å; I10-I181 HydrophobicContact CG1-CG2 4.47Å; I10-I181 HydrophobicContact CG2-CD1 3.92Å; I10-I181 HydrophobicContact CG2-CG2 4.31Å; L12-I181 HydrophobicContact CD2-CD1 3.33Å; M93-I181 HydrophobicContact CB-CD1 4.31Å; M93-I181 HydrophobicContact CB-CG2 4.28Å; M93-I181 HydrophobicContact CE-CG2 3.84Å; D127-I181 HydrophobicContact CB-CG1 3.88Å; D127-I181 WeakPolarHBondContact OD2-CA 3.28Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.42Å; L177-I181 HydrophobicContact CD1-CD1 4.28Å; L177-I181 HydrophobicContact CG-CD1 4.1Å; L177-I181 WeakPolarHBondContact O-CG1 3.05Å; L177-I181 PolarHBondContact O-N 2.81Å; L177-I181 VanDerWaalsContact O-N 3.13Å; L178-I181 PolarHBondContact O-N 3.24Å; D179-I181 PolarHBondContact O-N 3.38Å; I181-R184 WeakPolarHBondContact O-CB 3.43Å; I181-R184 PolarHBondContact O-N 2.8Å; I181-M185 HydrophobicContact CG2-CG 4.43Å; I181-M185 HydrophobicContact CG2-SD 3.85Å; I181-M185 VanDerWaalsContact O-CG 3.29Å; I181-M185 WeakPolarHBondContact O-CG 3.21Å; I181-M185 PolarHBondContact O-N 2.63Å
182	M	94.5	Very high	89.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-48	-179.6	-70	-61.8	-72.2	0	0	111.1	Y8 I10 Y53 F66 V68 L178 D179 R184 M185 E186	Y8-M182 HydrophobicContact CD2-CE 3.61Å; Y8-M182 HydrophobicContact CD2-SD 4.18Å; Y8-M182 HydrophobicContact CE2-CE 3.63Å; Y8-M182 HydrophobicContact CG-CE 4.45Å; Y8-M182 HydrophobicContact CG-SD 4.49Å; I10-M182 HydrophobicContact CD1-CG 4.37Å; I10-M182 HydrophobicContact CD1-SD 3.62Å; Y53-M182 HydrophobicContact CD1-CB 4.05Å; Y53-M182 HydrophobicContact CD1-CE 3.47Å; Y53-M182 VanDerWaalsContact CD1-CE 3.47Å; Y53-M182 HydrophobicContact CD1-CG 3.77Å; Y53-M182 HydrophobicContact CD1-SD 4.43Å; Y53-M182 HydrophobicContact CD2-CG 4.24Å; Y53-M182 HydrophobicContact CE1-CB 3.49Å; Y53-M182 VanDerWaalsContact CE1-CB 3.49Å; Y53-M182 HydrophobicContact CE1-CE 3.94Å; Y53-M182 HydrophobicContact CE1-CG 3.75Å; Y53-M182 HydrophobicContact CE2-CB 4.29Å; Y53-M182 HydrophobicContact CE2-CG 4.27Å; Y53-M182 HydrophobicContact CG-CE 4.22Å; Y53-M182 HydrophobicContact CG-CG 4Å; F66-M182 HydrophobicContact CB-CE 4.31Å; F66-M182 HydrophobicContact CD2-CE 4.08Å; F66-M182 HydrophobicContact CG-CE 4.34Å; V68-M182 HydrophobicContact CG2-SD 4.47Å; L178-M182 HydrophobicContact CD1-CG 3.76Å; L178-M182 HydrophobicContact CD1-SD 4.31Å; L178-M182 HydrophobicContact CG-CG 4.22Å; L178-M182 WeakPolarHBondContact O-CB 3.27Å; L178-M182 VanDerWaalsContact O-CG 3.25Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 3.16Å; D179-M182 PolarHBondContact O-N 3.1Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.94Å; M182-M185 WeakPolarHBondContact O-CB 3.47Å; M182-M185 PolarHBondContact O-N 2.93Å; M182-M185 VanDerWaalsContact O-N 3.12Å; M182-E186 WeakPolarHBondContact O-CG 3.43Å; M182-E186 PolarHBondContact O-N 2.89Å
183	K	92.7	Very high	87.1	Confident	94 Å²	94	63.8 Å²	63.8	41%	0.409	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-36	175.7	-75	172.2	176.3	165.4	0	112.9	D179 L180 K187	D179-K183 VanDerWaalsContact CG-NZ 3.32Å; D179-K183 WeakPolarHBondContact O-CB 3.3Å; D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.26Å; D179-K183 PolarHBondContact O-N 3.17Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 2.78Å; D179-K183 PolarHBondContact OD1-NZ 3.23Å; D179-K183 VanDerWaalsContact OD2-CE 3.3Å; D179-K183 WeakPolarHBondContact OD2-CE 3.49Å; D179-K183 IonicContact OD2-NZ 2.8Å; D179-K183 PolarHBondContact OD2-NZ 2.98Å; L180-K183 PolarHBondContact O-N 3.04Å; K183-K187 VanDerWaalsContact O-CG 3.32Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 3.47Å
184	R	91.2	Very high	84.6	Confident	42 Å²	42	69.6 Å²	69.6	16%	0.158	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-43.7	174.6	-176.9	-177.8	65.7	-173	-7.3	111	M93 Y122 D127 L180 I181 M182 K187 C188	M93-R184 PolarHBondContact O-NH2 3.3Å; Y122-R184 PolarHBondContact OH-NE 2.8Å; Y122-R184 PolarHBondContact OH-NH1 3.48Å; Y122-R184 PolarHBondContact OH-NH2 2.99Å; D127-R184 IonicContact OD2-CZ 2.68Å; D127-R184 IonicContact OD2-NE 3.94Å; D127-R184 PolarHBondContact OD2-NE 2.84Å; D127-R184 IonicContact OD2-NH1 3.08Å; D127-R184 PolarHBondContact OD2-NH1 2.87Å; D127-R184 IonicContact OD2-NH2 3.17Å; D127-R184 PolarHBondContact OD2-NH2 3.21Å; D127-R184 VanDerWaalsContact OD2-NH2 3.13Å; L180-R184 WeakPolarHBondContact O-CB 3.33Å; L180-R184 PolarHBondContact O-N 3.08Å; I181-R184 WeakPolarHBondContact O-CB 3.43Å; I181-R184 PolarHBondContact O-N 2.8Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.94Å; R184-K187 PolarHBondContact O-N 2.78Å; R184-C188 PolarHBondContact O-N 2.66Å; R184-C188 PolarHBondContact O-SG 3.41Å
185	M	89.3	Confident	82	Confident	50 Å²	50	74.3 Å²	74.3	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-43.6	178.1	-71.2	172.2	66	0	0	111.8	Y8 I10 M93 I181 M182 K187 C188 V189	Y8-M185 HydrophobicContact CD1-CE 3.45Å; Y8-M185 VanDerWaalsContact CD1-CE 3.45Å; Y8-M185 HydrophobicContact CE1-CE 3.64Å; Y8-M185 HydrophobicContact CG-CE 4.32Å; I10-M185 HydrophobicContact CD1-SD 4.45Å; M93-M185 HydrophobicContact CE-CE 4.18Å; M93-M185 HydrophobicContact CE-CG 4.3Å; M93-M185 HydrophobicContact CE-SD 3.39Å; M93-M185 WeakPolarHBondContact CE-SD 3.41Å; I181-M185 HydrophobicContact CG2-CG 4.43Å; I181-M185 HydrophobicContact CG2-SD 3.85Å; I181-M185 VanDerWaalsContact O-CG 3.29Å; I181-M185 WeakPolarHBondContact O-CG 3.21Å; I181-M185 PolarHBondContact O-N 2.63Å; M182-M185 WeakPolarHBondContact O-CB 3.47Å; M182-M185 PolarHBondContact O-N 2.93Å; M182-M185 VanDerWaalsContact O-N 3.12Å; M185-K187 PolarHBondContact O-N 3.19Å; M185-C188 PolarHBondContact O-N 3.08Å; M185-V189 WeakPolarHBondContact O-CG2 3.3Å; M185-V189 PolarHBondContact O-N 3.2Å
186	E	86.3	Confident	79.5	Confident	69 Å²	69	77.8 Å²	77.8	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-57.8	-48.1	175.7	-73	175.3	173.5	0	0	111.8	T55 M182 C188 V189 E190	T55-E186 VanDerWaalsContact CG2-OE1 3.3Å; T55-E186 WeakPolarHBondContact CG2-OE1 3.46Å; M182-E186 WeakPolarHBondContact O-CG 3.43Å; M182-E186 PolarHBondContact O-N 2.89Å; E186-C188 VanDerWaalsContact C-N 3.26Å; E186-C188 PolarHBondContact O-N 3.28Å; E186-V189 PolarHBondContact O-N 3.31Å; E186-E190 PolarHBondContact O-N 3.41Å; E186-E190 VanDerWaalsContact O-N 3.09Å
187	K	86.1	Confident	76.9	Confident	130 Å²	130	82.2 Å²	82.2	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-61.2	-30.6	177.4	-71.5	173.7	-175.3	178.2	0	113.6	K183 R184 M185 K191	K183-K187 VanDerWaalsContact O-CG 3.32Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 3.47Å; R184-K187 PolarHBondContact O-N 2.78Å; M185-K187 PolarHBondContact O-N 3.19Å; K187-K191 WeakPolarHBondContact O-CG 3.3Å; K187-K191 PolarHBondContact O-N 3.26Å
188	C	80.9	Confident	74.3	Confident	75 Å²	75	88.4 Å²	88.4	51%	0.507	47%	0.469	S	S	.	.	H	α-helix	trans	-73.2	-32.9	175.8	-74.3	0	0	0	0	112.1	R184 M185 E186 T192	R184-C188 PolarHBondContact O-N 2.66Å; R184-C188 PolarHBondContact O-SG 3.41Å; M185-C188 PolarHBondContact O-N 3.08Å; E186-C188 VanDerWaalsContact C-N 3.26Å; E186-C188 PolarHBondContact O-N 3.28Å; C188-T192 PolarHBondContact O-OG1 3.04Å
189	V	77.3	Confident	71.4	Confident	78 Å²	78	96.3 Å²	96.3	47%	0.473	51%	0.512	S	S	.	.	H	α-helix	trans	-71.1	-45.9	176.9	176.8	0	0	0	0	110.6	M185 E186 K191 T192 Q193	M185-V189 WeakPolarHBondContact O-CG2 3.3Å; M185-V189 PolarHBondContact O-N 3.2Å; E186-V189 PolarHBondContact O-N 3.31Å; V189-K191 PolarHBondContact O-N 2.88Å; V189-T192 WeakPolarHBondContact O-CB 3.34Å; V189-T192 PolarHBondContact O-N 3Å; V189-Q193 PolarHBondContact O-N 3.08Å
190	E	71.8	Confident	68.5	Low	130 Å²	130	97.2 Å²	97.2	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-59.4	-42.9	179.7	-70.4	179.5	168.3	0	0	112.7	E186 T192 Q193	E186-E190 PolarHBondContact O-N 3.41Å; E186-E190 VanDerWaalsContact O-N 3.09Å; E190-T192 PolarHBondContact O-N 3.24Å; E190-Q193 PolarHBondContact O-N 3.27Å
191	K	64.4	Low	65.6	Low	170 Å²	170	100.6 Å²	100.6	74%	0.739	55%	0.553	S	S	*	*	H	α-helix	trans	-61.1	-27.4	176.9	-74.4	179.3	-177.2	-175.7	0	113.4	K187 V189	K187-K191 WeakPolarHBondContact O-CG 3.3Å; K187-K191 PolarHBondContact O-N 3.26Å; V189-K191 PolarHBondContact O-N 2.88Å
192	T	62	Low	62.8	Low	117 Å²	117	108.6 Å²	108.6	72%	0.718	60%	0.596	S	S	*	*	H	α-helix	trans	-82.3	-22	178.7	-44.4	0	0	0	0	111.6	C188 V189 E190	C188-T192 PolarHBondContact O-OG1 3.04Å; V189-T192 WeakPolarHBondContact O-CB 3.34Å; V189-T192 PolarHBondContact O-N 3Å; E190-T192 PolarHBondContact O-N 3.24Å
193	Q	54.3	Low	60	Low	149 Å²	149	113.7 Å²	113.7	70%	0.696	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	8.6	-178.1	-69.8	-174.6	0.4	0	0	114.4	V189 E190 P195	V189-Q193 PolarHBondContact O-N 3.08Å; E190-Q193 PolarHBondContact O-N 3.27Å; Q193-P195 WeakPolarHBondContact O-CD 3.38Å
194	V	46	Very low	57.2	Low	123 Å²	123	112.8 Å²	112.8	75%	0.745	65%	0.649	S	S	*	*			trans	-101.7	77.4	169.5	-166.4	0	0	0	0	110.3
195	P	44.6	Very low	54.4	Low	99 Å²	99	120.7 Å²	120.7	64%	0.643	68%	0.684	S	S	*	*			trans	-86.3	135	162.5	32.3	-28.7	0	0	0	110.7	Q193 T197	Q193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-T197 PolarHBondContact O-N 2.65Å
196	D	46.2	Very low	51.9	Low	170 Å²	170	125.1 Å²	125.1	91%	0.909	71%	0.714	S	S	*	*			trans	-30.5	107.7	178.2	-63.7	-54	0	0	0	115.8
197	T	42.2	Very low	49.4	Very low	130 Å²	130	129.4 Å²	129.4	80%	0.798	74%	0.739	S	S	*	*			trans	-135.2	108.6	155.2	20.2	0	0	0	0	103.7	P195	P195-T197 PolarHBondContact O-N 2.65Å
198	V	43.9	Very low	46.7	Very low	130 Å²	130	126.8 Å²	126.8	79%	0.788	75%	0.749	S	S	*	*				-155.5	100.5	81.2	177	0	0	0	0	109.5	G200	V198-G200 VanDerWaalsContact C-N 3.26Å; V198-G200 PolarHBondContact O-N 2.88Å
199	N	37.1	Very low	44.5	Very low	172 Å²	172	132.3 Å²	132.3	92%	0.92	77%	0.768	S	S	*	*			trans	-83.5	79.2	153.3	-92.6	-25.2	0	0	0	107.6	V201	N199-V201 PolarHBondContact O-N 3.26Å
200	G	36.3	Very low	42.4	Very low	60 Å²	60	138.3 Å²	138.3	62%	0.619	79%	0.787	S	S	*	*			trans	-85.1	90.1	177.5	0	0	0	0	0	110.7	V198 N202	V198-G200 VanDerWaalsContact C-N 3.26Å; V198-G200 PolarHBondContact O-N 2.88Å; G200-N202 PolarHBondContact O-N 3.09Å
201	V	36	Very low	41	Very low	123 Å²	123	138 Å²	138	75%	0.745	80%	0.796	S	S	*	*			trans	-21.4	112.9	163	179.3	0	0	0	0	113.4	N199	N199-V201 PolarHBondContact O-N 3.26Å
202	N	35.7	Very low	39.8	Very low	167 Å²	167	134 Å²	134	89%	0.893	80%	0.795	S	S	*	*			trans	-114	101.7	157	-129.4	3.4	0	0	0	108.5	G200 G204	G200-N202 PolarHBondContact O-N 3.09Å; N202-G204 PolarHBondContact O-N 2.84Å
203	S	35.2	Very low	38.4	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	80%	0.804	S	S	*	*			trans	-70.4	107.1	176.7	-69.2	0	0	0	0	109.4
204	G	34.9	Very low	37.7	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	81%	0.811	S	S	*	*			trans	-132	90.4	170.5	0	0	0	0	0	109.8	N202 V206	N202-G204 PolarHBondContact O-N 2.84Å; G204-V206 PolarHBondContact O-N 2.86Å
205	K	31.7	Very low	37.2	Very low	208 Å²	208	143.8 Å²	143.8	90%	0.904	82%	0.818	S	S	*	*			trans	-59.3	124.7	165	-76.8	175.5	168.5	-179.7	0	109.4
206	V	37.3	Very low	36.6	Very low	143 Å²	143	145.2 Å²	145.2	87%	0.867	83%	0.829	S	S	*	*			trans	-154.1	131.8	136.2	-173.4	0	0	0	0	108.5	G204	G204-V206 PolarHBondContact O-N 2.86Å
207	D	32.8	Very low	35.9	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	82%	0.823	S	S	*	*			trans	-71.3	159.2	-179.7	-67.2	-65	0	0	0	115.2
208	G	31.1	Very low	35.6	Very low	76 Å²	76	145.4 Å²	145.4	78%	0.784	85%	0.852	S	S	*	*			trans	88.9	126.8	165.2	0	0	0	0	0	113
209	E	33.3	Very low	35.2	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	86%	0.856	S	S	*	*			cis	-159.9	144.2	36.1	-108.4	170.8	131.1	0	0	108.5
210	K	32.9	Very low	35.1	Very low	204 Å²	204	144.8 Å²	144.8	89%	0.887	85%	0.852	S	S	*	*			trans	-68.4	138.5	160.3	-78.8	176.8	173.5	179	0	108.3
211	P	42.4	Very low	35.1	Very low	122 Å²	122	149.5 Å²	149.5	79%	0.792	87%	0.865	S	S	*	*				-154.4	170.6	100.8	36.2	-17	0	0	0	117.1
212	A	39.1	Very low	35	Very low	86 Å²	86	151.1 Å²	151.1	71%	0.711	87%	0.872	S	S	*	*			trans	84.6	87.5	153.5	0	0	0	0	0	118.2	K214	A212-K214 PolarHBondContact O-N 3.16Å
213	E	34.3	Very low	35	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	87%	0.871	S	S	*	*			trans	-37.7	116.8	150.2	-65.7	175.2	153.1	0	0	111.9
214	K	38.5	Very low	34.9	Very low	195 Å²	195	152.7 Å²	152.7	85%	0.848	88%	0.878	S	S	*	*			trans	-120.2	104.8	157.3	-77.9	-172.5	177.6	179.1	0	108.3	A212 C216	A212-K214 PolarHBondContact O-N 3.16Å; K214-C216 PolarHBondContact O-N 3.24Å
215	K	35.7	Very low	34.9	Very low	208 Å²	208	158.4 Å²	158.4	90%	0.904	89%	0.886	S	S	*	*			trans	-62.5	113.5	164.3	-73.8	177.2	173.9	176.3	0	108.1
216	C	32.9	Very low	35.2	Very low	129 Å²	129	154.5 Å²	154.5	87%	0.872	88%	0.884	S	S	*	*			trans	-109.3	125.9	157.7	-95.8	0	0	0	0	107.9	K214	K214-C216 PolarHBondContact O-N 3.24Å
217	A	30.9	Very low	35	Very low	94 Å²	94	155.5 Å²	155.5	78%	0.777	89%	0.886	S	S	*	*			trans	-90.3	156.6	167.1	0	0	0	0	0	109.2
218	C	36.3	Very low	35.2	Very low	209 Å²	209	155.2 Å²	155.2	100%	1.412	89%	0.889	S	S	*	*			trans	90	0	-173.4	-56	0	0	0	0	114.1

Retrieved 218 of 218 residues in 950.3 ms (Link to these results)

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