A0A060XIY1_ONCMY Loading...

Rho-related GTP-binding protein RhoG

Plays a role in immunological synaptic F-actin density and architecture organization. Regulates actin reorganization in lymphocytes, possibly through the modulation of Rac1 activity. Required for the formation of membrane ruffles during macropinocytosis. Plays a role in cell migration and is required for the formation of cup-like structures during trans-endothelial migration of leukocytes. Binds phospholipids in an activation-dependent manner; thereby acting as an anchor for other proteins to the plasma membrane (PM). Plays a role in exocytosis of cytotoxic granules (CG) by lymphocytes/Component of the exocytosis machinery in natural killer (NK) and CD8+ T cells. Promotes the docking of cytotoxic granules (CG) to the plasma membrane through the interaction with UNC13D. Involved in the cytotoxic activity of lymphocytes/primary CD8+ T cells.

AlphaFold DB , UniProt , Accession A0A060XIY1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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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	62.5	Low	93.2	Very high	156 Å²	156	32.1 Å²	32.1	77%	0.768	17%	0.167	S	C	*	.				0	123.6	0	-164.9	157.2	104.7	0	0	107.3	Q43	M1-Q43 HydrophobicContact CE-CG 4.18Å
2	Q	86.2	Confident	93.4	Very high	88 Å²	88	32 Å²	32	41%	0.411	18%	0.179	S	C	.	.			trans	-67.5	135.1	-180	-175.3	173.6	14.9	0	0	109	I51 S52	Q2-I51 HydrophobicContact CB-CD1 3.82Å; Q2-I51 HydrophobicContact CG-CD1 4.15Å; Q2-S52 PolarHBondContact O-N 2.97Å
3	S	92.9	Very high	93.5	Very high	56 Å²	56	33.9 Å²	33.9	39%	0.392	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.2	179.3	-175.4	0	0	0	0	110.1	S52 N54	S3-S52 CarbonylContact C-O 3.59Å; S3-S52 VanDerWaalsContact CA-O 3.25Å; S3-S52 WeakPolarHBondContact CA-O 3.18Å; S3-S52 PolarHBondContact OG-O 3.18Å; S3-N54 PolarHBondContact OG-ND2 3.15Å
4	I	96.1	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.1	177.9	-65.3	-177.9	0	0	0	107.7	I51 S52 L53 N54 N76 V77 V173 F176	I4-I51 HydrophobicContact CB-CG2 4.11Å; I4-I51 HydrophobicContact CD1-CG2 3.7Å; I4-I51 HydrophobicContact CG1-CG2 3.64Å; I4-S52 PolarHBondContact N-O 3.45Å; I4-L53 HydrophobicContact CB-CD1 4.02Å; I4-L53 HydrophobicContact CG2-CD1 3.84Å; I4-N54 PolarHBondContact O-N 3.22Å; I4-N76 WeakPolarHBondContact CA-OD1 3.44Å; I4-N76 HydrophobicContact CG2-CB 3.82Å; I4-V77 HydrophobicContact CG2-CG1 4.25Å; I4-V173 HydrophobicContact CD1-CB 4.19Å; I4-V173 HydrophobicContact CD1-CG1 3.85Å; I4-V173 HydrophobicContact CD1-CG2 4.16Å; I4-F176 HydrophobicContact CD1-CB 4.13Å; I4-F176 HydrophobicContact CD1-CD1 3.48Å; I4-F176 VanDerWaalsContact CD1-CD1 3.48Å; I4-F176 HydrophobicContact CD1-CE1 4.3Å; I4-F176 HydrophobicContact CD1-CG 4.16Å; I4-F176 HydrophobicContact CG1-CD1 3.64Å; I4-F176 HydrophobicContact CG1-CE1 4.02Å; I4-F176 HydrophobicContact CG1-CG 4.4Å
5	K	97.4	Very high	94	Very high	26 Å²	26	30.6 Å²	30.6	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.9	170	176.8	170	173.6	175.7	0	110.1	V7 W56 S71 P73 N76 V77	K5-V7 HydrophobicContact CG-CG2 4.34Å; K5-W56 HydrophobicContact CD-CD2 4.47Å; K5-W56 HydrophobicContact CD-CZ2 4.38Å; K5-W56 VanDerWaalsContact CE-CE2 3.46Å; K5-W56 HydrophobicContact CG-CG 4.46Å; K5-S71 WeakPolarHBondContact CE-O 3.45Å; K5-S71 PolarHBondContact NZ-O 2.96Å; K5-P73 PolarHBondContact NZ-O 3.43Å; K5-N76 PolarHBondContact N-OD1 2.91Å; K5-N76 WeakPolarHBondContact O-CB 3.19Å; K5-N76 PolarHBondContact O-N 2.74Å; K5-V77 PolarHBondContact O-N 3.13Å
6	C	97.8	Very high	94.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.4	175.2	175.8	0	0	0	0	109.2	L53 N54 L55 W56 V77	C6-L53 HydrophobicContact CB-CD1 3.83Å; C6-N54 PolarHBondContact N-O 3.04Å; C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.47Å; C6-W56 PolarHBondContact O-N 3.38Å; C6-V77 WeakPolarHBondContact CA-O 3.39Å; C6-V77 HydrophobicContact CB-CG1 3.78Å
7	V	98.4	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.4	177.1	-179.6	0	0	0	0	109.6	K5 V9 W56 T58 Y72 T75 V77 F78 V79	K5-V7 HydrophobicContact CG-CG2 4.34Å; V7-V9 HydrophobicContact CG1-CG1 4.03Å; V7-W56 HydrophobicContact CB-CB 4.32Å; V7-W56 HydrophobicContact CG1-CB 4.36Å; V7-W56 HydrophobicContact CG2-CB 3.87Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V7-T58 HydrophobicContact CG1-CG2 3.88Å; V7-Y72 HydrophobicContact CG1-CD1 4.17Å; V7-Y72 HydrophobicContact CG1-CE1 4.09Å; V7-T75 HydrophobicContact CB-CG2 3.98Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.43Å; V7-V77 PolarHBondContact N-O 3.44Å; V7-V77 VanDerWaalsContact N-O 3.12Å; V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.12Å; V7-F78 HydrophobicContact CG1-CE1 3.8Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.34Å; V7-V79 PolarHBondContact O-N 2.91Å
8	V	98.4	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.6	179.8	-168.2	0	0	0	0	109.8	K16 L20 W56 T58 V79	V8-K16 HydrophobicContact CG1-CB 3.9Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V8-L20 HydrophobicContact CB-CD1 4.4Å; V8-L20 HydrophobicContact CG2-CD1 4.1Å; V8-L20 HydrophobicContact CG2-CD2 3.59Å; V8-L20 HydrophobicContact CG2-CG 4.14Å; V8-W56 PolarHBondContact N-O 2.93Å; V8-T58 PolarHBondContact O-OG1 3.49Å; V8-V79 WeakPolarHBondContact CA-O 3.25Å; V8-V79 HydrophobicContact CG1-CB 4.3Å; V8-V79 HydrophobicContact CG1-CG1 4.27Å; V8-V79 HydrophobicContact CG2-CB 4.23Å
9	V	98.7	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	168.9	-179.6	-56.9	0	0	0	0	110.7	V7 K16 Y72 F78 V79 I80 C81 W97 V101	V7-V9 HydrophobicContact CG1-CG1 4.03Å; V9-K16 WeakPolarHBondContact O-CD 3.46Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; V9-F78 HydrophobicContact CG1-CD1 4.42Å; V9-V79 PolarHBondContact N-O 2.91Å; V9-I80 HydrophobicContact CG2-CB 4.27Å; V9-I80 HydrophobicContact CG2-CG1 3.73Å; V9-I80 HydrophobicContact CG2-CG2 4.35Å; V9-C81 PolarHBondContact O-N 2.92Å; V9-W97 HydrophobicContact CB-CE3 3.78Å; V9-W97 HydrophobicContact CB-CZ3 3.94Å; V9-W97 HydrophobicContact CG2-CE3 4.05Å; V9-V101 HydrophobicContact CG2-CG2 3.92Å
10	G	98.6	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.5	168	-174.5	0	0	0	0	0	111.7	K16 G60 C81 W97	G10-K16 PolarHBondContact O-NZ 3.36Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G10-C81 VanDerWaalsContact CA-O 3.31Å; G10-C81 WeakPolarHBondContact CA-O 3.4Å; G10-W97 VanDerWaalsContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CH2 3.38Å; G10-W97 WeakPolarHBondContact O-CZ2 3.43Å
11	D	98.4	Very high	94.7	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.134	16%	0.16	C	C	.	.	S	Bend	trans	-53	159.8	-176.1	-80.6	14.8	0	0	0	113.5	V14 K16 S89 N92 W97	D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.26Å; D11-K16 PolarHBondContact O-NZ 3.42Å; D11-S89 VanDerWaalsContact OD2-CA 3.25Å; D11-S89 WeakPolarHBondContact OD2-CA 3.32Å; D11-S89 WeakPolarHBondContact OD2-CB 3.34Å; D11-N92 WeakPolarHBondContact OD1-CB 3.32Å; D11-N92 PolarHBondContact OD1-ND2 2.68Å; D11-N92 PolarHBondContact OD2-ND2 2.7Å; D11-W97 PolarHBondContact OD1-NE1 3.18Å
12	G	95.3	Very high	96.3	Very high	31 Å²	31	19.2 Å²	19.2	32%	0.32	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	144.3	166.6	0	0	0	0	0	111.7	V14 G60	G12-V14 PolarHBondContact O-N 2.8Å; G12-G60 PolarHBondContact N-O 3.31Å
13	A	95.1	Very high	96.7	Very high	57 Å²	57	16.3 Å²	16.3	47%	0.471	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	9.5	174.6	0	0	0	0	0	117.3	G15 K116	A13-G15 PolarHBondContact O-N 3.34Å; A13-K116 VanDerWaalsContact O-CE 3.29Å; A13-K116 WeakPolarHBondContact O-CE 3.23Å; A13-K116 PolarHBondContact O-NZ 3.19Å
14	V	97.8	Very high	96.7	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.03	10%	0.103	C	C	.	.	S	Bend	trans	-70.8	-15.1	174.6	-58.6	0	0	0	0	113	D11 G12 K16 C81 T115 K116	D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.26Å; G12-V14 PolarHBondContact O-N 2.8Å; V14-K16 HydrophobicContact CG2-CD 4.39Å; V14-K16 HydrophobicContact CG2-CG 3.74Å; V14-C81 HydrophobicContact CG2-CB 3.96Å; V14-T115 WeakPolarHBondContact O-CB 3.21Å; V14-T115 PolarHBondContact O-OG1 2.78Å; V14-K116 VanDerWaalsContact O-CE 3.28Å; V14-K116 WeakPolarHBondContact O-CE 3.39Å
15	G	97.1	Very high	96.6	Very high	13 Å²	13	19.6 Å²	19.6	13%	0.134	13%	0.127	C	C	.	.	S	Bend	trans	103.7	26.8	175	0	0	0	0	0	115.2	A13 C18 L19	A13-G15 PolarHBondContact O-N 3.34Å; G15-C18 PolarHBondContact O-N 2.93Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.18Å
16	K	97.8	Very high	96.3	Very high	10 Å²	10	23.5 Å²	23.5	4%	0.043	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-53.4	174.4	-55.2	-171.7	-58.5	-79.8	0	111.6	V8 V9 G10 D11 V14 C18 L19 L20 T58 C81	V8-K16 HydrophobicContact CG1-CB 3.9Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V9-K16 WeakPolarHBondContact O-CD 3.46Å; G10-K16 PolarHBondContact O-NZ 3.36Å; D11-K16 PolarHBondContact O-NZ 3.42Å; V14-K16 HydrophobicContact CG2-CD 4.39Å; V14-K16 HydrophobicContact CG2-CG 3.74Å; K16-C18 PolarHBondContact O-N 3.18Å; K16-L19 WeakPolarHBondContact O-CB 3.32Å; K16-L19 PolarHBondContact O-N 3.18Å; K16-L19 VanDerWaalsContact O-N 3.15Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 2.98Å; K16-T58 WeakPolarHBondContact CE-O 3.44Å; K16-T58 PolarHBondContact NZ-O 3.42Å; K16-C81 HydrophobicContact CG-CB 4.02Å
17	T	96.4	Very high	95.9	Very high	28 Å²	28	25.8 Å²	25.8	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-45.8	177.5	-42.4	0	0	0	0	112	L19 L20 I21 T35 D57	T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.87Å; T17-L20 PolarHBondContact O-N 3.48Å; T17-I21 HydrophobicContact CG2-CD1 3.75Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.38Å; T17-I21 WeakPolarHBondContact O-CG1 3.44Å; T17-I21 PolarHBondContact O-N 3.36Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.35Å; T17-T35 PolarHBondContact OG1-OG1 2.95Å; T17-D57 WeakPolarHBondContact CA-OD2 3.47Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.41Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.48Å; T17-D57 PolarHBondContact OG1-OD2 3.16Å
18	C	96.4	Very high	95.6	Very high	24 Å²	24	29.9 Å²	29.9	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-41.4	176.2	-56.8	0	0	0	0	111.8	G15 K16 S22 F28 P29 A159	G15-C18 PolarHBondContact O-N 2.93Å; K16-C18 PolarHBondContact O-N 3.18Å; C18-S22 WeakPolarHBondContact O-CB 3.43Å; C18-S22 PolarHBondContact O-N 2.89Å; C18-S22 PolarHBondContact O-OG 3.14Å; C18-S22 VanDerWaalsContact O-OG 3.09Å; C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.48Å; C18-P29 HydrophobicContact CB-CG 4.28Å; C18-A159 HydrophobicContact CB-CB 3.8Å
19	L	97.4	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-47	175.6	171.9	63.2	0	0	0	111.5	G15 K16 T17 Y23 V113 I165 V168 F169	G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.18Å; K16-L19 WeakPolarHBondContact O-CB 3.32Å; K16-L19 PolarHBondContact O-N 3.18Å; K16-L19 VanDerWaalsContact O-N 3.15Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.87Å; L19-Y23 WeakPolarHBondContact O-CB 3.4Å; L19-Y23 PolarHBondContact O-N 3.23Å; L19-Y23 VanDerWaalsContact O-N 3.08Å; L19-V113 HydrophobicContact CD2-CG1 4.49Å; L19-I165 HydrophobicContact CD1-CB 4.14Å; L19-I165 HydrophobicContact CD1-CG1 3.86Å; L19-I165 HydrophobicContact CD1-CG2 3.68Å; L19-V168 HydrophobicContact CD2-CG1 4.43Å; L19-F169 HydrophobicContact CD1-CE2 3.91Å; L19-F169 HydrophobicContact CD1-CZ 4.27Å; L19-F169 HydrophobicContact CD2-CZ 4.16Å; L19-F169 HydrophobicContact CG-CE2 3.98Å; L19-F169 HydrophobicContact CG-CZ 3.84Å
20	L	96.3	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-45.6	-179.5	-66.3	175.5	0	0	0	112.5	V8 K16 T17 Y23 T24 Y40 L55 D57 F169	V8-L20 HydrophobicContact CB-CD1 4.4Å; V8-L20 HydrophobicContact CG2-CD1 4.1Å; V8-L20 HydrophobicContact CG2-CD2 3.59Å; V8-L20 HydrophobicContact CG2-CG 4.14Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 2.98Å; T17-L20 PolarHBondContact O-N 3.48Å; L20-Y23 PolarHBondContact O-N 3.19Å; L20-T24 WeakPolarHBondContact O-CG2 3.38Å; L20-T24 PolarHBondContact O-N 3.09Å; L20-T24 PolarHBondContact O-OG1 3.3Å; L20-Y40 HydrophobicContact CB-CD2 4.19Å; L20-Y40 HydrophobicContact CB-CE2 4.28Å; L20-Y40 HydrophobicContact CD1-CD2 4.31Å; L20-Y40 HydrophobicContact CD1-CE2 4.34Å; L20-L55 HydrophobicContact CD2-CB 3.77Å; L20-L55 HydrophobicContact CD2-CD1 4.08Å; L20-L55 HydrophobicContact CD2-CD2 3.91Å; L20-L55 HydrophobicContact CD2-CG 4.13Å; L20-D57 HydrophobicContact CD1-CB 3.33Å; L20-F169 HydrophobicContact CD2-CE1 3.93Å; L20-F169 HydrophobicContact CD2-CZ 3.71Å
21	I	94.1	Very high	93.4	Very high	37 Å²	37	48.7 Å²	48.7	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-46.3	178.7	-66.9	175.8	0	0	0	110.6	T17 Y23 T24 T25 P29 Y40	T17-I21 HydrophobicContact CG2-CD1 3.75Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.38Å; T17-I21 WeakPolarHBondContact O-CG1 3.44Å; T17-I21 PolarHBondContact O-N 3.36Å; I21-Y23 VanDerWaalsContact C-N 3.25Å; I21-Y23 PolarHBondContact O-N 2.87Å; I21-T24 PolarHBondContact O-N 3.05Å; I21-T24 PolarHBondContact O-OG1 3.16Å; I21-T25 HydrophobicContact CG2-CG2 4.16Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 3.04Å; I21-T25 PolarHBondContact O-OG1 3.27Å; I21-P29 HydrophobicContact CB-CG 4.4Å; I21-P29 HydrophobicContact CD1-CB 4.25Å; I21-P29 HydrophobicContact CD1-CG 4.36Å; I21-P29 HydrophobicContact CG2-CB 4.18Å; I21-P29 HydrophobicContact CG2-CG 4.28Å; I21-Y40 HydrophobicContact CG1-CE1 4.39Å
22	S	95.4	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-37.6	177.8	-75.2	0	0	0	0	112	C18 N26 A27 A159 Q162	C18-S22 WeakPolarHBondContact O-CB 3.43Å; C18-S22 PolarHBondContact O-N 2.89Å; C18-S22 PolarHBondContact O-OG 3.14Å; C18-S22 VanDerWaalsContact O-OG 3.09Å; S22-N26 WeakPolarHBondContact O-CA 3.49Å; S22-N26 PolarHBondContact O-N 3.47Å; S22-A27 WeakPolarHBondContact CA-O 3.41Å; S22-A27 PolarHBondContact OG-O 3.4Å; S22-A159 PolarHBondContact OG-O 3.08Å; S22-Q162 PolarHBondContact O-NE2 3.19Å
23	Y	95.5	Very high	91.3	Very high	27 Å²	27	58.8 Å²	58.8	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-44.9	175.8	177.3	-114.2	0	0	0	113	L19 L20 I21 A42 V44 L53 L55 I165 F169	L19-Y23 WeakPolarHBondContact O-CB 3.4Å; L19-Y23 PolarHBondContact O-N 3.23Å; L19-Y23 VanDerWaalsContact O-N 3.08Å; L20-Y23 PolarHBondContact O-N 3.19Å; I21-Y23 VanDerWaalsContact C-N 3.25Å; I21-Y23 PolarHBondContact O-N 2.87Å; Y23-A42 HydrophobicContact CD1-CB 4.35Å; Y23-A42 HydrophobicContact CE1-CB 3.63Å; Y23-V44 WeakPolarHBondContact OH-CB 3.47Å; Y23-V44 WeakPolarHBondContact OH-CG2 3.38Å; Y23-L53 HydrophobicContact CE1-CD2 4.14Å; Y23-L55 HydrophobicContact CD1-CD1 3.66Å; Y23-L55 HydrophobicContact CE1-CD1 3.95Å; Y23-I165 HydrophobicContact CD2-CG2 4.03Å; Y23-I165 HydrophobicContact CG-CG2 4.25Å; Y23-F169 AromaticContact CD1-CD2 3.63Å; Y23-F169 HydrophobicContact CD1-CD2 3.63Å; Y23-F169 AromaticContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CG 4.05Å; Y23-F169 HydrophobicContact CD2-CB 4.43Å; Y23-F169 AromaticContact CD2-CD2 3.37Å; Y23-F169 HydrophobicContact CD2-CD2 3.37Å; Y23-F169 HydrophobicContact CD2-CE2 4.02Å; Y23-F169 HydrophobicContact CD2-CG 4.2Å; Y23-F169 HydrophobicContact CE1-CB 4.11Å; Y23-F169 AromaticContact CE1-CD2 3.95Å; Y23-F169 HydrophobicContact CE1-CD2 3.95Å; Y23-F169 AromaticContact CE1-CG 3.96Å; Y23-F169 HydrophobicContact CE1-CG 3.96Å; Y23-F169 HydrophobicContact CE2-CB 3.87Å; Y23-F169 AromaticContact CE2-CD2 3.71Å; Y23-F169 HydrophobicContact CE2-CD2 3.71Å; Y23-F169 HydrophobicContact CE2-CG 4.11Å; Y23-F169 AromaticContact CG-CD2 3.31Å; Y23-F169 HydrophobicContact CG-CD2 3.31Å; Y23-F169 AromaticContact CG-CE2 3.55Å; Y23-F169 HydrophobicContact CG-CE2 3.55Å; Y23-F169 HydrophobicContact CG-CG 4.16Å; Y23-F169 AromaticContact CZ-CD2 3.99Å; Y23-F169 AromaticContact CZ-CG 3.98Å
24	T	93.4	Very high	90.5	Very high	44 Å²	44	59.7 Å²	59.7	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-80	-29.6	-173.6	51.1	0	0	0	0	113.2	L20 I21 A42 L55	L20-T24 WeakPolarHBondContact O-CG2 3.38Å; L20-T24 PolarHBondContact O-N 3.09Å; L20-T24 PolarHBondContact O-OG1 3.3Å; I21-T24 PolarHBondContact O-N 3.05Å; I21-T24 PolarHBondContact O-OG1 3.16Å; T24-A42 HydrophobicContact CG2-CB 4.43Å; T24-L55 HydrophobicContact CG2-CD1 3.72Å
25	T	92.1	Very high	89.7	Confident	82 Å²	82	60.1 Å²	60.1	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-109.3	-9.3	-174.7	67.6	0	0	0	0	113.8	I21 A27	I21-T25 HydrophobicContact CG2-CG2 4.16Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 3.04Å; I21-T25 PolarHBondContact O-OG1 3.27Å; T25-A27 PolarHBondContact O-N 2.93Å; T25-A27 PolarHBondContact OG1-N 3Å; T25-A27 PolarHBondContact OG1-O 2.92Å; T25-A27 VanDerWaalsContact OG1-O 3.14Å
26	N	91.3	Very high	88.6	Confident	107 Å²	107	62.7 Å²	62.7	57%	0.572	33%	0.325	S	S	*	.	S	Bend	trans	54	24.1	-167.5	-61.3	-65.5	0	0	0	113.6	S22 Q162	S22-N26 WeakPolarHBondContact O-CA 3.49Å; S22-N26 PolarHBondContact O-N 3.47Å; N26-Q162 PolarHBondContact O-NE2 3.47Å
27	A	90.9	Very high	87.2	Confident	51 Å²	51	65.6 Å²	65.6	42%	0.421	34%	0.338	S	S	.	.	S	Bend	trans	-137.8	145	176	0	0	0	0	0	112.1	S22 T25	S22-A27 WeakPolarHBondContact CA-O 3.41Å; S22-A27 PolarHBondContact OG-O 3.4Å; T25-A27 PolarHBondContact O-N 2.93Å; T25-A27 PolarHBondContact OG1-N 3Å; T25-A27 PolarHBondContact OG1-O 2.92Å; T25-A27 VanDerWaalsContact OG1-O 3.14Å
28	F	90.6	Very high	86.7	Confident	86 Å²	86	67.8 Å²	67.8	38%	0.377	35%	0.349	S	S	.	.			trans	-76.2	132.4	173.5	-172.6	-99	0	0	0	110.5	C18 K30 A159 L160	C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.48Å; F28-K30 PolarHBondContact O-N 3.37Å; F28-A159 VanDerWaalsContact CD2-C 3.5Å; F28-A159 HydrophobicContact CD2-CB 3.96Å; F28-A159 WeakPolarHBondContact CD2-O 3.34Å; F28-A159 HydrophobicContact CE2-CB 3.91Å; F28-L160 HydrophobicContact CD1-CD1 4.02Å; F28-L160 HydrophobicContact CD2-CB 4.25Å; F28-L160 HydrophobicContact CD2-CD1 4.43Å; F28-L160 HydrophobicContact CE1-CD1 4.27Å; F28-L160 HydrophobicContact CE2-CB 4.26Å; F28-L160 HydrophobicContact CG-CD1 4.09Å
29	P	87.8	Confident	86.3	Confident	27 Å²	27	70.6 Å²	70.6	18%	0.175	36%	0.362	C	S	.	.			trans	-66	131.7	178.7	26.2	-33.3	0	0	0	111.2	C18 I21	C18-P29 HydrophobicContact CB-CG 4.28Å; I21-P29 HydrophobicContact CB-CG 4.4Å; I21-P29 HydrophobicContact CD1-CB 4.25Å; I21-P29 HydrophobicContact CD1-CG 4.36Å; I21-P29 HydrophobicContact CG2-CB 4.18Å; I21-P29 HydrophobicContact CG2-CG 4.28Å
30	K	81.1	Confident	85.9	Confident	211 Å²	211	73.1 Å²	73.1	92%	0.917	37%	0.372	S	S	*	.	S	Bend	trans	-81.8	-24	179.7	-66.7	-175.8	179.4	-179.9	0	113.5	F28	F28-K30 PolarHBondContact O-N 3.37Å
31	E	81.7	Confident	85.7	Confident	156 Å²	156	77.1 Å²	77.1	73%	0.729	40%	0.4	S	S	*	.	S	Bend	trans	-110.8	136.6	-179.1	-66.5	-179.9	-174.1	0	0	110
32	Y	71.1	Confident	85.6	Confident	147 Å²	147	76.2 Å²	76.2	58%	0.576	40%	0.398	S	S	*	.			trans	-94.1	107.1	173.3	180	-104.9	0	0	0	109.6	P34	Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å
33	I	77.9	Confident	85.5	Confident	121 Å²	121	82.9 Å²	82.9	62%	0.621	43%	0.429	S	S	*	.			trans	-110.3	118.3	171.4	-57.4	176	0	0	0	106.9	T35	I33-T35 PolarHBondContact O-N 2.89Å
34	P	78.1	Confident	85.3	Confident	77 Å²	77	82.4 Å²	82.4	50%	0.5	43%	0.429	S	S	.	.			trans	-60.3	124.9	176.7	-23.1	32.4	0	0	0	112	Y32	Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å
35	T	81.1	Confident	85.2	Confident	13 Å²	13	85 Å²	85	8%	0.08	45%	0.445	C	S	.	.			trans	-74.3	132	177.6	-54.5	0	0	0	0	111.6	T17 I33 D57 A59	T17-T35 WeakPolarHBondContact CG2-OG1 3.35Å; T17-T35 PolarHBondContact OG1-OG1 2.95Å; I33-T35 PolarHBondContact O-N 2.89Å; T35-D57 HydrophobicContact CG2-CB 4Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.35Å; T35-D57 PolarHBondContact OG1-OD2 3.14Å; T35-A59 VanDerWaalsContact O-CB 3.31Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å
36	V	73.7	Confident	85.2	Confident	68 Å²	68	81.1 Å²	81.1	41%	0.412	42%	0.421	S	S	.	.	S	Bend	trans	-91.7	-56	160.3	179	0	0	0	0	108.7	A59 Y64 L67	V36-A59 PolarHBondContact O-N 2.98Å; V36-Y64 HydrophobicContact CG1-CD1 4.19Å; V36-Y64 HydrophobicContact CG1-CE1 4Å; V36-Y64 HydrophobicContact CG2-CE1 4.18Å; V36-L67 HydrophobicContact CG1-CD2 3.55Å
37	F	69.6	Low	85.1	Confident	70 Å²	70	79.9 Å²	79.9	31%	0.307	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	134.7	175.5	178.6	-104.5	0	0	0	110	N39 W56 D57 S71	F37-N39 VanDerWaalsContact CE1-ND2 3.29Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.36Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.4Å; F37-W56 HydrophobicContact CE1-CE3 4.44Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.2Å; F37-W56 AromaticContact CE2-CE3 3.35Å; F37-W56 HydrophobicContact CE2-CE3 3.35Å; F37-W56 AromaticContact CE2-CZ3 3.82Å; F37-W56 HydrophobicContact CE2-CZ3 3.82Å; F37-W56 AromaticContact CZ-CD2 3.96Å; F37-W56 HydrophobicContact CZ-CD2 3.96Å; F37-W56 AromaticContact CZ-CE3 3.17Å; F37-W56 HydrophobicContact CZ-CE3 3.17Å; F37-W56 HydrophobicContact CZ-CH2 4.15Å; F37-W56 AromaticContact CZ-CZ3 3.27Å; F37-W56 HydrophobicContact CZ-CZ3 3.27Å; F37-D57 WeakPolarHBondContact CD2-O 3.31Å; F37-S71 WeakPolarHBondContact CD2-OG 3.45Å; F37-S71 WeakPolarHBondContact CE2-OG 3.29Å
38	D	85.6	Confident	85.1	Confident	75 Å²	75	83.3 Å²	83.3	40%	0.401	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.1	174.5	-87.5	-52.3	0	0	0	111.5	Y40 D57	D38-Y40 HydrophobicContact CB-CE2 3.79Å; D38-D57 HydrophobicContact CB-CB 4.23Å; D38-D57 PolarHBondContact N-O 3.04Å; D38-D57 PolarHBondContact O-N 3.43Å
39	N	87.3	Confident	85.1	Confident	82 Å²	82	85.7 Å²	85.7	44%	0.439	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	176	-73.6	-44.4	0	0	0	110.5	F37 L55 W56	F37-N39 VanDerWaalsContact CE1-ND2 3.29Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.36Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.4Å; N39-L55 WeakPolarHBondContact CA-O 3.5Å; N39-W56 VanDerWaalsContact OD1-CE2 3.31Å
40	Y	89.9	Confident	85.4	Confident	55 Å²	55	87.7 Å²	87.7	22%	0.216	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.5	172.6	-49.5	-87.7	0	0	0	110.3	L20 I21 D38 L55 D57	L20-Y40 HydrophobicContact CB-CD2 4.19Å; L20-Y40 HydrophobicContact CB-CE2 4.28Å; L20-Y40 HydrophobicContact CD1-CD2 4.31Å; L20-Y40 HydrophobicContact CD1-CE2 4.34Å; I21-Y40 HydrophobicContact CG1-CE1 4.39Å; D38-Y40 HydrophobicContact CB-CE2 3.79Å; Y40-L55 PolarHBondContact N-O 3.43Å; Y40-L55 PolarHBondContact O-N 2.91Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å
41	S	90.9	Very high	86	Confident	84 Å²	84	77.8 Å²	77.8	59%	0.587	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.8	175.4	-58.6	0	0	0	0	110	L53 N54	S41-L53 WeakPolarHBondContact CA-O 3.49Å; S41-N54 PolarHBondContact OG-OD1 2.86Å
42	A	92.1	Very high	86.7	Confident	18 Å²	18	71.5 Å²	71.5	15%	0.149	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	174.5	0	0	0	0	0	110.3	Y23 T24 L53	Y23-A42 HydrophobicContact CD1-CB 4.35Å; Y23-A42 HydrophobicContact CE1-CB 3.63Å; T24-A42 HydrophobicContact CG2-CB 4.43Å; A42-L53 PolarHBondContact N-O 3.01Å; A42-L53 PolarHBondContact O-N 3.39Å
43	Q	93.1	Very high	87.9	Confident	140 Å²	140	64.6 Å²	64.6	65%	0.654	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.8	164.2	-68.4	-160	51.6	0	0	109	M1 T50 I51	M1-Q43 HydrophobicContact CE-CG 4.18Å; Q43-T50 HydrophobicContact CB-CG2 4.48Å; Q43-I51 WeakPolarHBondContact CA-O 3.4Å
44	V	91.7	Very high	88.8	Confident	16 Å²	16	61 Å²	61	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.1	-179.9	66	0	0	0	0	109.9	Y23 V46 I51 L53 V173	Y23-V44 WeakPolarHBondContact OH-CB 3.47Å; Y23-V44 WeakPolarHBondContact OH-CG2 3.38Å; V44-V46 HydrophobicContact CG1-CG2 4.42Å; V44-V46 HydrophobicContact CG2-CG2 3.8Å; V44-I51 HydrophobicContact CG1-CB 4.14Å; V44-I51 PolarHBondContact N-O 3.24Å; V44-I51 PolarHBondContact O-N 2.89Å; V44-L53 HydrophobicContact CG1-CB 4.05Å; V44-L53 HydrophobicContact CG1-CD2 4.44Å; V44-V173 HydrophobicContact CG1-CG2 3.72Å
45	T	92.2	Very high	89.7	Confident	98 Å²	98	57.3 Å²	57.3	60%	0.601	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	113.9	174.9	-55.4	0	0	0	0	108.8	R49	T45-R49 WeakPolarHBondContact CA-O 3.3Å
46	V	92	Very high	90.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	179.3	-179.7	0	0	0	0	108.3	V44 S48 R49 A170 V173 R174	V44-V46 HydrophobicContact CG1-CG2 4.42Å; V44-V46 HydrophobicContact CG2-CG2 3.8Å; V46-S48 PolarHBondContact O-N 3Å; V46-R49 PolarHBondContact N-O 3.46Å; V46-R49 WeakPolarHBondContact O-CB 3.32Å; V46-R49 PolarHBondContact O-N 3.25Å; V46-A170 HydrophobicContact CG2-CB 4.22Å; V46-V173 HydrophobicContact CB-CB 4.4Å; V46-V173 HydrophobicContact CB-CG1 3.76Å; V46-V173 HydrophobicContact CG1-CG1 4.09Å; V46-V173 HydrophobicContact CG2-CB 3.92Å; V46-V173 HydrophobicContact CG2-CG1 3.74Å; V46-V173 HydrophobicContact CG2-CG2 4.38Å; V46-R174 HydrophobicContact CG1-CG 3.44Å; V46-R174 VanDerWaalsContact CG1-CG 3.44Å
47	D	89.6	Confident	91.5	Very high	80 Å²	80	56.2 Å²	56.2	43%	0.428	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	45.8	178.9	-49.9	-17.2	0	0	0	112.1	R49 R174	D47-R49 PolarHBondContact O-N 3.5Å; D47-R174 IonicContact OD1-CZ 2.76Å; D47-R174 IonicContact OD1-NE 2.89Å; D47-R174 PolarHBondContact OD1-NE 3.43Å; D47-R174 VanDerWaalsContact OD1-NE 3.12Å; D47-R174 IonicContact OD1-NH2 2.64Å; D47-R174 PolarHBondContact OD1-NH2 3.01Å; D47-R174 IonicContact OD2-NE 3.12Å
48	S	90.1	Very high	92.7	Very high	123 Å²	123	53 Å²	53	86%	0.86	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	15.7	-177.8	-53	0	0	0	0	115.8	V46	V46-S48 PolarHBondContact O-N 3Å
49	R	90.8	Very high	93.1	Very high	137 Å²	137	49.5 Å²	49.5	52%	0.517	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.1	174.3	-58.4	-177.3	-172.6	-177	4.1	110.6	T45 V46 D47 I51	T45-R49 WeakPolarHBondContact CA-O 3.3Å; V46-R49 PolarHBondContact N-O 3.46Å; V46-R49 WeakPolarHBondContact O-CB 3.32Å; V46-R49 PolarHBondContact O-N 3.25Å; D47-R49 PolarHBondContact O-N 3.5Å; R49-I51 HydrophobicContact CB-CD1 4.31Å
50	T	93.2	Very high	93.4	Very high	69 Å²	69	45.9 Å²	45.9	42%	0.423	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.6	172.6	-53	0	0	0	0	110.1	Q43	Q43-T50 HydrophobicContact CB-CG2 4.48Å
51	I	94.6	Very high	93.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.8	-175.7	-55.3	-62.2	0	0	0	109.7	Q2 I4 Q43 V44 R49 L53 V173 L177	Q2-I51 HydrophobicContact CB-CD1 3.82Å; Q2-I51 HydrophobicContact CG-CD1 4.15Å; I4-I51 HydrophobicContact CB-CG2 4.11Å; I4-I51 HydrophobicContact CD1-CG2 3.7Å; I4-I51 HydrophobicContact CG1-CG2 3.64Å; Q43-I51 WeakPolarHBondContact CA-O 3.4Å; V44-I51 HydrophobicContact CG1-CB 4.14Å; V44-I51 PolarHBondContact N-O 3.24Å; V44-I51 PolarHBondContact O-N 2.89Å; R49-I51 HydrophobicContact CB-CD1 4.31Å; I51-L53 PolarHBondContact O-N 3.12Å; I51-V173 HydrophobicContact CG1-CG1 4.01Å; I51-L177 HydrophobicContact CD1-CD2 4.44Å
52	S	95.5	Very high	93.4	Very high	25 Å²	25	48.1 Å²	48.1	18%	0.175	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.6	165.3	-178	0	0	0	0	109.4	Q2 S3 I4	Q2-S52 PolarHBondContact O-N 2.97Å; S3-S52 CarbonylContact C-O 3.59Å; S3-S52 VanDerWaalsContact CA-O 3.25Å; S3-S52 WeakPolarHBondContact CA-O 3.18Å; S3-S52 PolarHBondContact OG-O 3.18Å; I4-S52 PolarHBondContact N-O 3.45Å
53	L	96.1	Very high	93.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.9	177.1	-173.9	62.2	0	0	0	109.5	I4 C6 Y23 S41 A42 V44 I51 L55 F169 V173	I4-L53 HydrophobicContact CB-CD1 4.02Å; I4-L53 HydrophobicContact CG2-CD1 3.84Å; C6-L53 HydrophobicContact CB-CD1 3.83Å; Y23-L53 HydrophobicContact CE1-CD2 4.14Å; S41-L53 WeakPolarHBondContact CA-O 3.49Å; A42-L53 PolarHBondContact N-O 3.01Å; A42-L53 PolarHBondContact O-N 3.39Å; V44-L53 HydrophobicContact CG1-CB 4.05Å; V44-L53 HydrophobicContact CG1-CD2 4.44Å; I51-L53 PolarHBondContact O-N 3.12Å; L53-L55 HydrophobicContact CD2-CD2 3.76Å; L53-L55 HydrophobicContact CD2-CG 4.44Å; L53-L55 HydrophobicContact CG-CD2 3.78Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L53-F169 HydrophobicContact CD2-CB 3.8Å; L53-F169 HydrophobicContact CD2-CD1 3.96Å; L53-F169 HydrophobicContact CD2-CG 4.16Å; L53-V173 HydrophobicContact CD1-CG2 4.17Å; L53-V173 HydrophobicContact CD2-CG2 4.38Å
54	N	97.3	Very high	93.4	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.3	173.8	-68.2	-44.8	0	0	0	109.1	S3 I4 C6 S41	S3-N54 PolarHBondContact OG-ND2 3.15Å; I4-N54 PolarHBondContact O-N 3.22Å; C6-N54 PolarHBondContact N-O 3.04Å; S41-N54 PolarHBondContact OG-OD1 2.86Å
55	L	96.8	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.2	-172.6	-61.6	166.8	0	0	0	108.9	C6 L20 Y23 T24 N39 Y40 L53 F169	C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.47Å; L20-L55 HydrophobicContact CD2-CB 3.77Å; L20-L55 HydrophobicContact CD2-CD1 4.08Å; L20-L55 HydrophobicContact CD2-CD2 3.91Å; L20-L55 HydrophobicContact CD2-CG 4.13Å; Y23-L55 HydrophobicContact CD1-CD1 3.66Å; Y23-L55 HydrophobicContact CE1-CD1 3.95Å; T24-L55 HydrophobicContact CG2-CD1 3.72Å; N39-L55 WeakPolarHBondContact CA-O 3.5Å; Y40-L55 PolarHBondContact N-O 3.43Å; Y40-L55 PolarHBondContact O-N 2.91Å; L53-L55 HydrophobicContact CD2-CD2 3.76Å; L53-L55 HydrophobicContact CD2-CG 4.44Å; L53-L55 HydrophobicContact CG-CD2 3.78Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L55-F169 HydrophobicContact CD2-CD1 3.6Å; L55-F169 HydrophobicContact CD2-CE1 3.44Å; L55-F169 VanDerWaalsContact CD2-CE1 3.44Å; L55-F169 HydrophobicContact CD2-CZ 4.31Å
56	W	97.3	Very high	93.6	Very high	59 Å²	59	59.6 Å²	59.6	22%	0.223	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.5	-179.9	-68.1	57.4	0	0	0	108.3	K5 C6 V7 V8 F37 N39	K5-W56 HydrophobicContact CD-CD2 4.47Å; K5-W56 HydrophobicContact CD-CZ2 4.38Å; K5-W56 VanDerWaalsContact CE-CE2 3.46Å; K5-W56 HydrophobicContact CG-CG 4.46Å; C6-W56 PolarHBondContact O-N 3.38Å; V7-W56 HydrophobicContact CB-CB 4.32Å; V7-W56 HydrophobicContact CG1-CB 4.36Å; V7-W56 HydrophobicContact CG2-CB 3.87Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V8-W56 PolarHBondContact N-O 2.93Å; F37-W56 HydrophobicContact CE1-CE3 4.44Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.2Å; F37-W56 AromaticContact CE2-CE3 3.35Å; F37-W56 HydrophobicContact CE2-CE3 3.35Å; F37-W56 AromaticContact CE2-CZ3 3.82Å; F37-W56 HydrophobicContact CE2-CZ3 3.82Å; F37-W56 AromaticContact CZ-CD2 3.96Å; F37-W56 HydrophobicContact CZ-CD2 3.96Å; F37-W56 AromaticContact CZ-CE3 3.17Å; F37-W56 HydrophobicContact CZ-CE3 3.17Å; F37-W56 HydrophobicContact CZ-CH2 4.15Å; F37-W56 AromaticContact CZ-CZ3 3.27Å; F37-W56 HydrophobicContact CZ-CZ3 3.27Å; N39-W56 VanDerWaalsContact OD1-CE2 3.31Å
57	D	96.1	Very high	93.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136	172	-160.8	12.6	0	0	0	109.9	T17 L20 T35 F37 D38 Y40	T17-D57 WeakPolarHBondContact CA-OD2 3.47Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.41Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.48Å; T17-D57 PolarHBondContact OG1-OD2 3.16Å; L20-D57 HydrophobicContact CD1-CB 3.33Å; T35-D57 HydrophobicContact CG2-CB 4Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.35Å; T35-D57 PolarHBondContact OG1-OD2 3.14Å; F37-D57 WeakPolarHBondContact CD2-O 3.31Å; D38-D57 HydrophobicContact CB-CB 4.23Å; D38-D57 PolarHBondContact N-O 3.04Å; D38-D57 PolarHBondContact O-N 3.43Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å
58	T	95.9	Very high	93.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.2	-176.7	70.7	0	0	0	0	112	V7 V8 K16 R68	V7-T58 HydrophobicContact CG1-CG2 3.88Å; V8-T58 PolarHBondContact O-OG1 3.49Å; K16-T58 WeakPolarHBondContact CE-O 3.44Å; K16-T58 PolarHBondContact NZ-O 3.42Å; T58-R68 HydrophobicContact CG2-CG 4.14Å
59	A	93.4	Very high	94.1	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	26%	0.255	C	S	.	.			trans	-60.6	138.2	171.3	0	0	0	0	0	111.7	T35 V36 Y64 R68	T35-A59 VanDerWaalsContact O-CB 3.31Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å; V36-A59 PolarHBondContact O-N 2.98Å; A59-Y64 HydrophobicContact CB-CD2 3.47Å; A59-Y64 VanDerWaalsContact CB-CD2 3.47Å; A59-Y64 HydrophobicContact CB-CE2 4.3Å; A59-Y64 HydrophobicContact CB-CG 3.6Å; A59-R68 WeakPolarHBondContact O-CD 3.27Å; A59-R68 PolarHBondContact O-NH1 3.3Å
60	G	92.3	Very high	94.3	Very high	7 Å²	7	54.9 Å²	54.9	7%	0.072	26%	0.262	C	S	.	.			trans	-95.8	-5.7	179.9	0	0	0	0	0	114.5	G10 G12	G10-G60 WeakPolarHBondContact O-CA 3.48Å; G12-G60 PolarHBondContact N-O 3.31Å
61	Q	91.8	Very high	94.4	Very high	55 Å²	55	51.8 Å²	51.8	26%	0.257	24%	0.243	S	C	.	.	S	Bend	trans	-87.2	150.7	-176.8	-51	79	-12.8	0	0	110.7	E63 Y64	Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.37Å; Q61-E63 PolarHBondContact O-N 3.09Å; Q61-Y64 HydrophobicContact CB-CD2 4.01Å; Q61-Y64 HydrophobicContact CB-CE2 4.38Å; Q61-Y64 PolarHBondContact O-N 3.05Å
62	E	90.4	Very high	94.6	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.612	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-70.1	-28.4	-170.3	-52.3	-154.3	126	0	0	112.8	Y64 D65 K96	E62-Y64 PolarHBondContact O-N 3.37Å; E62-D65 VanDerWaalsContact CA-OD1 3.32Å; E62-D65 WeakPolarHBondContact CA-OD1 3.48Å; E62-D65 WeakPolarHBondContact O-CB 3.37Å; E62-D65 PolarHBondContact O-N 3.33Å; E62-K96 IonicContact OE1-NZ 3.18Å; E62-K96 PolarHBondContact OE1-NZ 3.5Å
63	E	92.9	Very high	94.7	Very high	159 Å²	159	54.4 Å²	54.4	74%	0.743	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.2	177.5	-55.9	82.2	179.7	0	0	112	Q61	Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.37Å; Q61-E63 PolarHBondContact O-N 3.09Å
64	Y	92.8	Very high	94.6	Very high	84 Å²	84	62.9 Å²	62.9	33%	0.329	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-102.7	7.5	178.9	-58.1	-70.9	0	0	0	113.9	V36 A59 Q61 E62 R66 L67 R68	V36-Y64 HydrophobicContact CG1-CD1 4.19Å; V36-Y64 HydrophobicContact CG1-CE1 4Å; V36-Y64 HydrophobicContact CG2-CE1 4.18Å; A59-Y64 HydrophobicContact CB-CD2 3.47Å; A59-Y64 VanDerWaalsContact CB-CD2 3.47Å; A59-Y64 HydrophobicContact CB-CE2 4.3Å; A59-Y64 HydrophobicContact CB-CG 3.6Å; Q61-Y64 HydrophobicContact CB-CD2 4.01Å; Q61-Y64 HydrophobicContact CB-CE2 4.38Å; Q61-Y64 PolarHBondContact O-N 3.05Å; E62-Y64 PolarHBondContact O-N 3.37Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 3.42Å; Y64-L67 HydrophobicContact CD1-CD2 4.16Å; Y64-L67 PolarHBondContact O-N 3.41Å; Y64-L67 VanDerWaalsContact O-N 3.07Å; Y64-R68 WeakPolarHBondContact O-CB 3.38Å; Y64-R68 PolarHBondContact O-N 2.79Å
65	D	92.8	Very high	94.6	Very high	45 Å²	45	61.2 Å²	61.2	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-52.8	-48	-177.1	-76.3	-0.6	0	0	0	111.7	E62 L67 R68 T69 K96	E62-D65 VanDerWaalsContact CA-OD1 3.32Å; E62-D65 WeakPolarHBondContact CA-OD1 3.48Å; E62-D65 WeakPolarHBondContact O-CB 3.37Å; E62-D65 PolarHBondContact O-N 3.33Å; D65-L67 PolarHBondContact O-N 2.94Å; D65-R68 PolarHBondContact O-N 3.41Å; D65-R68 IonicContact OD1-CZ 3.94Å; D65-R68 VanDerWaalsContact OD1-CZ 3.29Å; D65-R68 IonicContact OD1-NH1 2.86Å; D65-R68 PolarHBondContact OD1-NH1 2.74Å; D65-R68 IonicContact OD1-NH2 2.66Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; D65-T69 WeakPolarHBondContact O-CG2 3.34Å; D65-T69 PolarHBondContact O-N 3.45Å; D65-K96 IonicContact OD1-NZ 2.87Å; D65-K96 PolarHBondContact OD1-NZ 3.02Å; D65-K96 IonicContact OD2-NZ 2.68Å; D65-K96 PolarHBondContact OD2-NZ 3.06Å
66	R	93.3	Very high	94.7	Very high	225 Å²	225	63.1 Å²	63.1	85%	0.849	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-44.6	177.7	-68.8	-175.8	177.9	-177.9	-0	112.5	Y64 T69	Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 3.42Å; R66-T69 PolarHBondContact O-N 2.66Å; R66-T69 PolarHBondContact O-OG1 2.86Å
67	L	92.4	Very high	94.7	Very high	76 Å²	76	60.3 Å²	60.3	40%	0.398	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-40.6	-178.6	-177.2	62.1	0	0	0	111.2	V36 Y64 D65 T69 L70	V36-L67 HydrophobicContact CG1-CD2 3.55Å; Y64-L67 HydrophobicContact CD1-CD2 4.16Å; Y64-L67 PolarHBondContact O-N 3.41Å; Y64-L67 VanDerWaalsContact O-N 3.07Å; D65-L67 PolarHBondContact O-N 2.94Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.97Å; L67-L70 HydrophobicContact CD1-CD1 4.07Å; L67-L70 WeakPolarHBondContact O-CB 3.26Å; L67-L70 PolarHBondContact O-N 2.68Å
68	R	96.3	Very high	94.8	Very high	5 Å²	5	60.3 Å²	60.3	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-42.8	178.9	177.7	168.4	65.2	-121.9	3.3	112.2	T58 A59 Y64 D65 L70 S71 Y72 W97 E100	T58-R68 HydrophobicContact CG2-CG 4.14Å; A59-R68 WeakPolarHBondContact O-CD 3.27Å; A59-R68 PolarHBondContact O-NH1 3.3Å; Y64-R68 WeakPolarHBondContact O-CB 3.38Å; Y64-R68 PolarHBondContact O-N 2.79Å; D65-R68 PolarHBondContact O-N 3.41Å; D65-R68 IonicContact OD1-CZ 3.94Å; D65-R68 VanDerWaalsContact OD1-CZ 3.29Å; D65-R68 IonicContact OD1-NH1 2.86Å; D65-R68 PolarHBondContact OD1-NH1 2.74Å; D65-R68 IonicContact OD1-NH2 2.66Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; R68-L70 PolarHBondContact O-N 3.19Å; R68-L70 VanDerWaalsContact O-N 3.13Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.36Å; R68-S71 PolarHBondContact O-OG 3.05Å; R68-Y72 HydrophobicContact CG-CE1 3.99Å; R68-W97 VanDerWaalsContact CZ-CH2 3.43Å; R68-E100 IonicContact CZ-OE1 2.7Å; R68-E100 VanDerWaalsContact CZ-OE1 3.24Å; R68-E100 IonicContact CZ-OE2 3.19Å; R68-E100 IonicContact NE-OE1 3.74Å; R68-E100 PolarHBondContact NE-OE1 2.9Å; R68-E100 VanDerWaalsContact NH2-CD 3.28Å; R68-E100 IonicContact NH2-OE1 3.54Å; R68-E100 PolarHBondContact NH2-OE1 2.83Å; R68-E100 IonicContact NH2-OE2 3.29Å; R68-E100 PolarHBondContact NH2-OE2 2.89Å
69	T	95.1	Very high	94.9	Very high	35 Å²	35	60.2 Å²	60.2	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-22.3	-179.3	63.5	0	0	0	0	113.8	D65 R66 L67 S71 Y72 H104	D65-T69 WeakPolarHBondContact O-CG2 3.34Å; D65-T69 PolarHBondContact O-N 3.45Å; R66-T69 PolarHBondContact O-N 2.66Å; R66-T69 PolarHBondContact O-OG1 2.86Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.97Å; T69-S71 PolarHBondContact O-N 3.14Å; T69-Y72 HydrophobicContact CG2-CD2 4.27Å; T69-Y72 HydrophobicContact CG2-CE2 3.98Å; T69-Y72 WeakPolarHBondContact O-CB 3.42Å; T69-Y72 PolarHBondContact O-N 2.87Å; T69-Y72 VanDerWaalsContact O-N 3.11Å; T69-H104 WeakPolarHBondContact CG2-NE2 3.47Å
70	L	95	Very high	95.2	Very high	126 Å²	126	60.1 Å²	60.1	66%	0.66	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	173.4	-56	-175.2	0	0	0	112.7	L67 R68 P73	L67-L70 HydrophobicContact CD1-CD1 4.07Å; L67-L70 WeakPolarHBondContact O-CB 3.26Å; L67-L70 PolarHBondContact O-N 2.68Å; R68-L70 PolarHBondContact O-N 3.19Å; R68-L70 VanDerWaalsContact O-N 3.13Å; L70-P73 WeakPolarHBondContact O-CD 3.22Å
71	S	95.7	Very high	95.5	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.028	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.4	176.5	-59.6	0	0	0	0	113.5	K5 F37 R68 T69	K5-S71 WeakPolarHBondContact CE-O 3.45Å; K5-S71 PolarHBondContact NZ-O 2.96Å; F37-S71 WeakPolarHBondContact CD2-OG 3.45Å; F37-S71 WeakPolarHBondContact CE2-OG 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.36Å; R68-S71 PolarHBondContact O-OG 3.05Å; T69-S71 PolarHBondContact O-N 3.14Å
72	Y	97.6	Very high	95.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.016	27%	0.273	C	S	.	.			trans	-79.6	-31.5	-169.1	-64.4	-7.2	0	0	0	116.8	V7 V9 R68 T69 Q74 T75 F78 E100 H104	V7-Y72 HydrophobicContact CG1-CD1 4.17Å; V7-Y72 HydrophobicContact CG1-CE1 4.09Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; R68-Y72 HydrophobicContact CG-CE1 3.99Å; T69-Y72 HydrophobicContact CG2-CD2 4.27Å; T69-Y72 HydrophobicContact CG2-CE2 3.98Å; T69-Y72 WeakPolarHBondContact O-CB 3.42Å; T69-Y72 PolarHBondContact O-N 2.87Å; T69-Y72 VanDerWaalsContact O-N 3.11Å; Y72-Q74 PolarHBondContact O-N 3.24Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.43Å; Y72-T75 PolarHBondContact O-N 3.26Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 2.87Å; Y72-F78 AromaticContact CD1-CE1 3.64Å; Y72-F78 HydrophobicContact CD1-CE1 3.64Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.72Å; Y72-F78 HydrophobicContact CE1-CE1 3.72Å; Y72-F78 HydrophobicContact CE1-CZ 4.32Å; Y72-F78 HydrophobicContact CG-CE1 4.21Å; Y72-F78 AromaticContact CG-CZ 3.98Å; Y72-F78 HydrophobicContact CG-CZ 3.98Å; Y72-E100 HydrophobicContact CE2-CG 4.2Å; Y72-E100 PolarHBondContact OH-OE1 3Å; Y72-H104 HydrophobicContact CD2-CB 3.63Å; Y72-H104 AromaticContact CD2-CG 3.86Å; Y72-H104 HydrophobicContact CE2-CB 4.27Å
73	P	96.9	Very high	96.3	Very high	79 Å²	79	51.1 Å²	51.1	51%	0.513	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	135.4	179.5	-29.5	36.6	0	0	0	112.5	K5 L70 T75	K5-P73 PolarHBondContact NZ-O 3.43Å; L70-P73 WeakPolarHBondContact O-CD 3.22Å; P73-T75 PolarHBondContact O-N 3.25Å
74	Q	95.3	Very high	96.5	Very high	178 Å²	178	43.6 Å²	43.6	83%	0.832	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	23.3	178.2	-53.2	175.4	-48.9	0	0	114.8	Y72 N76	Y72-Q74 PolarHBondContact O-N 3.24Å; Q74-N76 PolarHBondContact O-N 3.04Å
75	T	97.8	Very high	96.8	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	20%	0.201	C	C	.	.			trans	-68.6	129	174.6	-59.8	0	0	0	0	110.9	V7 Y72 P73 V77 F78 T108	V7-T75 HydrophobicContact CB-CG2 3.98Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.43Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.43Å; Y72-T75 PolarHBondContact O-N 3.26Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 2.87Å; P73-T75 PolarHBondContact O-N 3.25Å; T75-V77 WeakPolarHBondContact CG2-O 3.48Å; T75-F78 HydrophobicContact CG2-CD1 4.32Å; T75-F78 HydrophobicContact CG2-CD2 3.75Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.5Å; T75-F78 VanDerWaalsContact CG2-CE2 3.5Å; T75-F78 HydrophobicContact CG2-CG 4.15Å; T75-F78 HydrophobicContact CG2-CZ 3.72Å; T75-T108 HydrophobicContact CG2-CG2 4.09Å; T75-T108 WeakPolarHBondContact O-CG2 3.45Å; T75-T108 PolarHBondContact O-OG1 2.83Å
76	N	97.4	Very high	97.1	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	20%	0.203	C	C	.	.	S	Bend	trans	-89.5	-30.1	179.3	-61.9	122.4	0	0	0	112.4	I4 K5 Q74 P109 F176	I4-N76 WeakPolarHBondContact CA-OD1 3.44Å; I4-N76 HydrophobicContact CG2-CB 3.82Å; K5-N76 PolarHBondContact N-OD1 2.91Å; K5-N76 WeakPolarHBondContact O-CB 3.19Å; K5-N76 PolarHBondContact O-N 2.74Å; Q74-N76 PolarHBondContact O-N 3.04Å; N76-P109 VanDerWaalsContact O-CD 3.3Å; N76-P109 WeakPolarHBondContact O-CD 3.14Å; N76-P109 VanDerWaalsContact O-CG 3.23Å; N76-P109 WeakPolarHBondContact O-CG 3.19Å; N76-F176 HydrophobicContact CB-CD2 3.6Å; N76-F176 HydrophobicContact CB-CE2 3.8Å; N76-F176 HydrophobicContact CB-CG 4.04Å; N76-F176 HydrophobicContact CB-CZ 4.37Å; N76-F176 WeakPolarHBondContact ND2-CE2 3.21Å; N76-F176 WeakPolarHBondContact ND2-CZ 3.42Å
77	V	97.8	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141.9	176.2	61.6	0	0	0	0	110.4	I4 K5 C6 V7 T75 P109 L111	I4-V77 HydrophobicContact CG2-CG1 4.25Å; K5-V77 PolarHBondContact O-N 3.13Å; C6-V77 WeakPolarHBondContact CA-O 3.39Å; C6-V77 HydrophobicContact CB-CG1 3.78Å; V7-V77 PolarHBondContact N-O 3.44Å; V7-V77 VanDerWaalsContact N-O 3.12Å; T75-V77 WeakPolarHBondContact CG2-O 3.48Å; V77-P109 HydrophobicContact CB-CG 4.29Å; V77-P109 HydrophobicContact CG2-CG 4.33Å; V77-L111 HydrophobicContact CG2-CG 4.45Å
78	F	98.5	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.3	169.6	-78.2	-85.8	0	0	0	111	V7 V9 Y72 T75 V101 C105 T108 P109 I110 L111	V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.12Å; V7-F78 HydrophobicContact CG1-CE1 3.8Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.34Å; V9-F78 HydrophobicContact CG1-CD1 4.42Å; Y72-F78 AromaticContact CD1-CE1 3.64Å; Y72-F78 HydrophobicContact CD1-CE1 3.64Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.72Å; Y72-F78 HydrophobicContact CE1-CE1 3.72Å; Y72-F78 HydrophobicContact CE1-CZ 4.32Å; Y72-F78 HydrophobicContact CG-CE1 4.21Å; Y72-F78 AromaticContact CG-CZ 3.98Å; Y72-F78 HydrophobicContact CG-CZ 3.98Å; T75-F78 HydrophobicContact CG2-CD1 4.32Å; T75-F78 HydrophobicContact CG2-CD2 3.75Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.5Å; T75-F78 VanDerWaalsContact CG2-CE2 3.5Å; T75-F78 HydrophobicContact CG2-CG 4.15Å; T75-F78 HydrophobicContact CG2-CZ 3.72Å; F78-V101 HydrophobicContact CB-CG1 4.13Å; F78-V101 HydrophobicContact CD1-CG1 4.08Å; F78-V101 HydrophobicContact CD1-CG2 3.92Å; F78-V101 HydrophobicContact CD2-CG1 3.49Å; F78-V101 VanDerWaalsContact CD2-CG1 3.49Å; F78-V101 HydrophobicContact CE1-CG1 4.37Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.63Å; F78-V101 HydrophobicContact CG-CG2 4.24Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; F78-C105 HydrophobicContact CD2-CB 4.5Å; F78-C105 HydrophobicContact CE2-CB 3.54Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; F78-T108 HydrophobicContact CD2-CG2 3.47Å; F78-T108 VanDerWaalsContact CD2-CG2 3.47Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; F78-P109 PolarHBondContact N-O 2.93Å; F78-I110 HydrophobicContact CB-CG1 4.24Å; F78-I110 WeakPolarHBondContact O-CA 3.5Å; F78-L111 PolarHBondContact O-N 2.95Å
79	V	98.7	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.2	165.1	177.7	0	0	0	0	107.4	V7 V8 V9 L111 V113 V168	V7-V79 PolarHBondContact O-N 2.91Å; V8-V79 WeakPolarHBondContact CA-O 3.25Å; V8-V79 HydrophobicContact CG1-CB 4.3Å; V8-V79 HydrophobicContact CG1-CG1 4.27Å; V8-V79 HydrophobicContact CG2-CB 4.23Å; V9-V79 PolarHBondContact N-O 2.91Å; V79-L111 HydrophobicContact CG2-CB 4.39Å; V79-L111 HydrophobicContact CG2-CD1 4.34Å; V79-V113 HydrophobicContact CG1-CB 4.04Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; V79-V168 HydrophobicContact CG1-CG1 4.3Å; V79-V168 HydrophobicContact CG2-CG1 4.42Å
80	I	98.8	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.2	175.9	-56.4	-176	0	0	0	108.2	V9 I93 W97 H98 V101 I110 L111 V113	V9-I80 HydrophobicContact CG2-CB 4.27Å; V9-I80 HydrophobicContact CG2-CG1 3.73Å; V9-I80 HydrophobicContact CG2-CG2 4.35Å; I80-I93 HydrophobicContact CG2-CD1 3.47Å; I80-I93 VanDerWaalsContact CG2-CD1 3.47Å; I80-I93 HydrophobicContact CG2-CG1 4.48Å; I80-I93 HydrophobicContact CG2-CG2 4.21Å; I80-W97 HydrophobicContact CG2-CB 3.69Å; I80-W97 HydrophobicContact CG2-CG 4.36Å; I80-H98 HydrophobicContact CD1-CB 4.49Å; I80-V101 HydrophobicContact CD1-CB 4.35Å; I80-V101 HydrophobicContact CD1-CG2 4.09Å; I80-V101 HydrophobicContact CG1-CG2 4.41Å; I80-I110 HydrophobicContact CB-CG2 4.45Å; I80-I110 HydrophobicContact CD1-CD1 4.17Å; I80-I110 HydrophobicContact CD1-CG1 4.42Å; I80-I110 HydrophobicContact CD1-CG2 3.61Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; I80-L111 PolarHBondContact N-O 2.55Å; I80-V113 PolarHBondContact O-N 2.79Å
81	C	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.3	-176	-68.7	0	0	0	0	112.2	V9 G10 V14 K16 V113 T115	V9-C81 PolarHBondContact O-N 2.92Å; G10-C81 VanDerWaalsContact CA-O 3.31Å; G10-C81 WeakPolarHBondContact CA-O 3.4Å; V14-C81 HydrophobicContact CG2-CB 3.96Å; K16-C81 HydrophobicContact CG-CB 4.02Å; C81-V113 WeakPolarHBondContact CA-O 3.4Å; C81-T115 HydrophobicContact CB-CG2 4.1Å
82	F	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	161.9	160.3	70.9	-87.1	0	0	0	108.9	I84 S89 F90 I93 L112 V113 G114 T115 I137 Y154	F82-I84 HydrophobicContact CE2-CG1 4.35Å; F82-S89 WeakPolarHBondContact CB-O 3.25Å; F82-F90 HydrophobicContact CD1-CD2 4.09Å; F82-F90 HydrophobicContact CD2-CB 3.84Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.32Å; F82-F90 AromaticContact CE1-CD2 3.81Å; F82-F90 HydrophobicContact CE1-CD2 3.81Å; F82-F90 HydrophobicContact CE1-CE2 4.21Å; F82-F90 HydrophobicContact CE2-CB 4.28Å; F82-F90 AromaticContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CE2 4.34Å; F82-F90 HydrophobicContact CE2-CG 4.34Å; F82-F90 HydrophobicContact CG-CB 4.25Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.53Å; F82-F90 HydrophobicContact CZ-CD2 3.53Å; F82-F90 AromaticContact CZ-CE2 3.94Å; F82-F90 HydrophobicContact CZ-CE2 3.94Å; F82-I93 HydrophobicContact CB-CD1 3.98Å; F82-I93 HydrophobicContact CB-CG1 4.09Å; F82-I93 HydrophobicContact CD1-CG1 4.23Å; F82-I93 HydrophobicContact CG-CG1 4.48Å; F82-L112 HydrophobicContact CD1-CD1 3.88Å; F82-L112 HydrophobicContact CD1-CG 4.39Å; F82-L112 HydrophobicContact CE1-CD1 3.99Å; F82-L112 HydrophobicContact CE1-CD2 4.27Å; F82-L112 HydrophobicContact CE1-CG 4Å; F82-V113 PolarHBondContact N-O 3Å; F82-G114 CarbonylContact O-C 3.47Å; F82-G114 WeakPolarHBondContact O-CA 3.34Å; F82-T115 PolarHBondContact O-N 2.95Å; F82-T115 PolarHBondContact O-OG1 3.3Å; F82-I137 HydrophobicContact CD2-CG1 4.44Å; F82-I137 HydrophobicContact CE2-CB 3.89Å; F82-I137 HydrophobicContact CE2-CG1 3.97Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 3.99Å; F82-Y154 AromaticContact CE1-CE2 3.69Å; F82-Y154 HydrophobicContact CE1-CE2 3.69Å; F82-Y154 AromaticContact CZ-CE2 3.77Å; F82-Y154 HydrophobicContact CZ-CE2 3.77Å; F82-Y154 AromaticContact CZ-CZ 3.99Å; F82-Y154 WeakPolarHBondContact CZ-OH 3.36Å
83	S	98.8	Very high	98.3	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.9	174.4	-177.6	0	0	0	0	111.5	A85 S86 S89 T115 K116	S83-A85 PolarHBondContact O-N 2.86Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 3.31Å; S83-S86 PolarHBondContact O-N 3Å; S83-S89 PolarHBondContact N-OG 3.32Å; S83-T115 WeakPolarHBondContact CA-OG1 3.13Å; S83-K116 WeakPolarHBondContact OG-CD 3.47Å
84	I	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.3	175.3	-74.7	162.3	0	0	0	112	F82 T115 K117 R120 T136 I137 E156	F82-I84 HydrophobicContact CE2-CG1 4.35Å; I84-T115 PolarHBondContact N-O 3.38Å; I84-K117 HydrophobicContact CD1-CB 3.8Å; I84-K117 HydrophobicContact CD1-CG 4.2Å; I84-R120 HydrophobicContact CG2-CB 4.06Å; I84-T136 WeakPolarHBondContact O-CA 3.33Å; I84-I137 PolarHBondContact O-N 3.12Å; I84-E156 HydrophobicContact CD1-CB 4.1Å; I84-E156 HydrophobicContact CD1-CG 3.96Å
85	A	98.3	Very high	98.4	Very high	18 Å²	18	26.1 Å²	26.1	15%	0.149	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4	177.7	0	0	0	0	0	114.3	S83 L119 V125	S83-A85 PolarHBondContact O-N 2.86Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 3.31Å; A85-L119 HydrophobicContact CB-CB 3.8Å; A85-L119 HydrophobicContact CB-CD1 3.78Å; A85-L119 HydrophobicContact CB-CG 4.47Å; A85-V125 HydrophobicContact CB-CG1 3.71Å
86	S	98.5	Very high	98.4	Very high	41 Å²	41	27.1 Å²	27.1	29%	0.287	14%	0.143	S	C	.	.			trans	-131.3	89.4	-179.3	-179.4	0	0	0	0	111	S83 P88 S89 F90	S83-S86 PolarHBondContact O-N 3Å; S86-P88 VanDerWaalsContact C-CD 3.42Å; S86-P88 VanDerWaalsContact C-N 3.32Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 3.2Å; S86-S89 PolarHBondContact O-OG 2.91Å; S86-F90 PolarHBondContact O-N 3.46Å
87	P	98.4	Very high	98.5	Very high	16 Å²	16	25.2 Å²	25.2	10%	0.104	13%	0.132	C	C	.	.	H	α-helix	trans	-54.1	-37.8	174.8	-27	37.5	0	0	0	114.9	S89 F90 E91 L129 Q134 M135 I137	P87-S89 VanDerWaalsContact C-N 3.29Å; P87-S89 PolarHBondContact O-N 3.37Å; P87-F90 WeakPolarHBondContact O-CB 3.12Å; P87-F90 PolarHBondContact O-N 2.95Å; P87-F90 VanDerWaalsContact O-N 3.09Å; P87-E91 PolarHBondContact O-N 3.33Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P87-L129 HydrophobicContact CG-CD2 4.2Å; P87-Q134 HydrophobicContact CG-CB 4.22Å; P87-M135 WeakPolarHBondContact CG-O 3.18Å; P87-I137 HydrophobicContact CB-CD1 4.22Å; P87-I137 HydrophobicContact CG-CD1 4.35Å
88	P	98.4	Very high	98.5	Very high	62 Å²	62	27.3 Å²	27.3	40%	0.403	14%	0.142	S	C	.	.	H	α-helix	trans	-57	-41.2	173.3	-26.8	36.2	0	0	0	113.3	S86 F90 E91 N92	S86-P88 VanDerWaalsContact C-CD 3.42Å; S86-P88 VanDerWaalsContact C-N 3.32Å; P88-F90 PolarHBondContact O-N 2.79Å; P88-E91 PolarHBondContact O-N 3.4Å; P88-N92 VanDerWaalsContact O-CG 3.28Å; P88-N92 PolarHBondContact O-N 3.49Å; P88-N92 PolarHBondContact O-ND2 3.39Å
89	S	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-27.2	178.5	73.1	0	0	0	0	113.5	D11 F82 S83 S86 P87	D11-S89 VanDerWaalsContact OD2-CA 3.25Å; D11-S89 WeakPolarHBondContact OD2-CA 3.32Å; D11-S89 WeakPolarHBondContact OD2-CB 3.34Å; F82-S89 WeakPolarHBondContact CB-O 3.25Å; S83-S89 PolarHBondContact N-OG 3.32Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 3.2Å; S86-S89 PolarHBondContact O-OG 2.91Å; P87-S89 VanDerWaalsContact C-N 3.29Å; P87-S89 PolarHBondContact O-N 3.37Å
90	F	98.8	Very high	98.5	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.044	17%	0.165	C	C	.	.	H	α-helix	trans	-72.4	-43.2	174.4	177	-100.1	0	0	0	111.7	F82 S86 P87 P88 N92 I93 I137 Q141 L145	F82-F90 HydrophobicContact CD1-CD2 4.09Å; F82-F90 HydrophobicContact CD2-CB 3.84Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.32Å; F82-F90 AromaticContact CE1-CD2 3.81Å; F82-F90 HydrophobicContact CE1-CD2 3.81Å; F82-F90 HydrophobicContact CE1-CE2 4.21Å; F82-F90 HydrophobicContact CE2-CB 4.28Å; F82-F90 AromaticContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CE2 4.34Å; F82-F90 HydrophobicContact CE2-CG 4.34Å; F82-F90 HydrophobicContact CG-CB 4.25Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.53Å; F82-F90 HydrophobicContact CZ-CD2 3.53Å; F82-F90 AromaticContact CZ-CE2 3.94Å; F82-F90 HydrophobicContact CZ-CE2 3.94Å; S86-F90 PolarHBondContact O-N 3.46Å; P87-F90 WeakPolarHBondContact O-CB 3.12Å; P87-F90 PolarHBondContact O-N 2.95Å; P87-F90 VanDerWaalsContact O-N 3.09Å; P88-F90 PolarHBondContact O-N 2.79Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.43Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.48Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.01Å; F90-I137 HydrophobicContact CB-CD1 3.88Å; F90-I137 HydrophobicContact CB-CG1 3.91Å; F90-I137 HydrophobicContact CD1-CD1 3.9Å; F90-I137 HydrophobicContact CD2-CD1 4.43Å; F90-I137 HydrophobicContact CD2-CG1 4.28Å; F90-I137 HydrophobicContact CD2-CG2 3.87Å; F90-I137 HydrophobicContact CE2-CG2 3.88Å; F90-I137 HydrophobicContact CG-CD1 3.82Å; F90-I137 HydrophobicContact CG-CG1 4.02Å; F90-I137 HydrophobicContact CG-CG2 4.32Å; F90-I137 HydrophobicContact CZ-CG2 4.38Å; F90-Q141 HydrophobicContact CZ-CB 4.01Å; F90-L145 HydrophobicContact CD2-CD2 3.65Å; F90-L145 HydrophobicContact CE1-CD2 4.27Å; F90-L145 HydrophobicContact CE2-CB 3.83Å; F90-L145 HydrophobicContact CE2-CD2 3.22Å; F90-L145 HydrophobicContact CE2-CG 4.15Å; F90-L145 HydrophobicContact CG-CD2 4.36Å; F90-L145 HydrophobicContact CZ-CB 3.64Å; F90-L145 HydrophobicContact CZ-CD2 3.58Å; F90-L145 HydrophobicContact CZ-CG 4.21Å
91	E	98.5	Very high	98.5	Very high	83 Å²	83	31.2 Å²	31.2	39%	0.388	17%	0.165	S	C	.	.	H	α-helix	trans	-64.9	-39.4	175.7	-64.1	-53.3	141	0	0	111.6	P87 P88 I93 K94 H95	P87-E91 PolarHBondContact O-N 3.33Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P88-E91 PolarHBondContact O-N 3.4Å; E91-I93 PolarHBondContact O-N 2.87Å; E91-K94 PolarHBondContact O-N 2.77Å; E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 2.64Å
92	N	98.8	Very high	98.4	Very high	54 Å²	54	33.3 Å²	33.3	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-59.8	-19.1	177.1	-74.4	-18.5	0	0	0	113.7	D11 P88 F90 K94 H95 K96 W97	D11-N92 WeakPolarHBondContact OD1-CB 3.32Å; D11-N92 PolarHBondContact OD1-ND2 2.68Å; D11-N92 PolarHBondContact OD2-ND2 2.7Å; P88-N92 VanDerWaalsContact O-CG 3.28Å; P88-N92 PolarHBondContact O-N 3.49Å; P88-N92 PolarHBondContact O-ND2 3.39Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.43Å; N92-K94 VanDerWaalsContact C-N 3.33Å; N92-K94 PolarHBondContact O-N 2.76Å; N92-H95 PolarHBondContact O-N 2.89Å; N92-K96 WeakPolarHBondContact O-CA 3.48Å; N92-K96 WeakPolarHBondContact O-CB 3.23Å; N92-K96 PolarHBondContact O-N 3.34Å; N92-W97 PolarHBondContact O-N 2.95Å; N92-W97 VanDerWaalsContact O-N 3.14Å
93	I	98.8	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-58.5	-46.9	171.6	-58.2	-46.5	0	0	0	111	I80 F82 F90 E91 W97 H98 L112 L145 I149	I80-I93 HydrophobicContact CG2-CD1 3.47Å; I80-I93 VanDerWaalsContact CG2-CD1 3.47Å; I80-I93 HydrophobicContact CG2-CG1 4.48Å; I80-I93 HydrophobicContact CG2-CG2 4.21Å; F82-I93 HydrophobicContact CB-CD1 3.98Å; F82-I93 HydrophobicContact CB-CG1 4.09Å; F82-I93 HydrophobicContact CD1-CG1 4.23Å; F82-I93 HydrophobicContact CG-CG1 4.48Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.48Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.01Å; E91-I93 PolarHBondContact O-N 2.87Å; I93-W97 HydrophobicContact CD1-CB 4.35Å; I93-W97 HydrophobicContact CD1-CG 4.32Å; I93-H98 WeakPolarHBondContact O-CB 3.38Å; I93-H98 PolarHBondContact O-N 2.86Å; I93-L112 HydrophobicContact CG1-CD1 4.16Å; I93-L112 HydrophobicContact CG2-CD1 3.92Å; I93-L145 HydrophobicContact CB-CD2 3.88Å; I93-L145 HydrophobicContact CG1-CD2 4.16Å; I93-L145 HydrophobicContact CG2-CD1 4.46Å; I93-L145 HydrophobicContact CG2-CD2 3.9Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; I93-I149 HydrophobicContact CG2-CD1 3.88Å
94	K	98.2	Very high	98.3	Very high	70 Å²	70	44.4 Å²	44.4	30%	0.304	23%	0.229	S	C	.	.	I	π-helix	trans	-74.1	-34.8	-179.5	-66	-176.6	-173.6	178.3	0	112.4	E91 N92 P99 L145 Q148	E91-K94 PolarHBondContact O-N 2.77Å; N92-K94 VanDerWaalsContact C-N 3.33Å; N92-K94 PolarHBondContact O-N 2.76Å; K94-P99 VanDerWaalsContact O-CD 3.3Å; K94-P99 WeakPolarHBondContact O-CD 3.41Å; K94-P99 WeakPolarHBondContact O-CG 3.47Å; K94-L145 HydrophobicContact CD-CD1 3.98Å; K94-L145 HydrophobicContact CG-CD1 3.44Å; K94-L145 VanDerWaalsContact CG-CD1 3.44Å; K94-Q148 VanDerWaalsContact CE-CD 3.49Å
95	H	97.3	Very high	98.2	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.648	23%	0.234	S	C	*	.	I	π-helix	trans	-89.3	-27.9	-170.2	-64.7	-59.7	0	0	0	113.9	E91 N92	E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 2.64Å; N92-H95 PolarHBondContact O-N 2.89Å
96	K	97.9	Very high	98.1	Very high	32 Å²	32	48.7 Å²	48.7	14%	0.139	26%	0.255	C	S	.	.	I	π-helix	trans	-126.7	-63.8	-175	-173.6	-177.8	179.1	89.6	0	112.1	E62 D65 N92 P99 E100	E62-K96 IonicContact OE1-NZ 3.18Å; E62-K96 PolarHBondContact OE1-NZ 3.5Å; D65-K96 IonicContact OD1-NZ 2.87Å; D65-K96 PolarHBondContact OD1-NZ 3.02Å; D65-K96 IonicContact OD2-NZ 2.68Å; D65-K96 PolarHBondContact OD2-NZ 3.06Å; N92-K96 WeakPolarHBondContact O-CA 3.48Å; N92-K96 WeakPolarHBondContact O-CB 3.23Å; N92-K96 PolarHBondContact O-N 3.34Å; K96-P99 WeakPolarHBondContact O-CD 3.45Å; K96-E100 VanDerWaalsContact O-CB 3.25Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 PolarHBondContact O-N 2.8Å
97	W	98.6	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	I	π-helix	trans	-70.2	-47	-163.5	-61	108	0	0	0	114.5	V9 G10 D11 R68 I80 N92 I93 E100 V101	V9-W97 HydrophobicContact CB-CE3 3.78Å; V9-W97 HydrophobicContact CB-CZ3 3.94Å; V9-W97 HydrophobicContact CG2-CE3 4.05Å; G10-W97 VanDerWaalsContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CH2 3.38Å; G10-W97 WeakPolarHBondContact O-CZ2 3.43Å; D11-W97 PolarHBondContact OD1-NE1 3.18Å; R68-W97 VanDerWaalsContact CZ-CH2 3.43Å; I80-W97 HydrophobicContact CG2-CB 3.69Å; I80-W97 HydrophobicContact CG2-CG 4.36Å; N92-W97 PolarHBondContact O-N 2.95Å; N92-W97 VanDerWaalsContact O-N 3.14Å; I93-W97 HydrophobicContact CD1-CB 4.35Å; I93-W97 HydrophobicContact CD1-CG 4.32Å; W97-E100 PolarHBondContact O-N 2.96Å; W97-V101 WeakPolarHBondContact O-CB 3.31Å; W97-V101 WeakPolarHBondContact O-CG2 3.36Å; W97-V101 PolarHBondContact O-N 2.86Å
98	H	98.6	Very high	97.7	Very high	43 Å²	43	54.6 Å²	54.6	20%	0.199	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-48.1	177.1	167.9	-98.6	0	0	0	112	I80 I93 E100 V101 T102 I149	I80-H98 HydrophobicContact CD1-CB 4.49Å; I93-H98 WeakPolarHBondContact O-CB 3.38Å; I93-H98 PolarHBondContact O-N 2.86Å; H98-E100 VanDerWaalsContact C-N 3.33Å; H98-E100 PolarHBondContact O-N 3.22Å; H98-V101 PolarHBondContact O-N 2.95Å; H98-T102 WeakPolarHBondContact NE2-CG2 3.38Å; H98-T102 WeakPolarHBondContact O-CB 3.28Å; H98-T102 WeakPolarHBondContact O-CG2 3.29Å; H98-T102 PolarHBondContact O-N 3.47Å; H98-T102 PolarHBondContact O-OG1 3.34Å; H98-I149 HydrophobicContact CB-CB 4.46Å; H98-I149 HydrophobicContact CB-CG2 4.25Å; H98-I149 PolarHBondContact NE2-O 2.95Å
99	P	98.4	Very high	97.6	Very high	54 Å²	54	53 Å²	53	35%	0.351	27%	0.274	S	S	.	.	H	α-helix	trans	-55.1	-43.7	172.9	-27.7	35	0	0	0	113.8	K94 K96 T102 H103	K94-P99 VanDerWaalsContact O-CD 3.3Å; K94-P99 WeakPolarHBondContact O-CD 3.41Å; K94-P99 WeakPolarHBondContact O-CG 3.47Å; K96-P99 WeakPolarHBondContact O-CD 3.45Å; P99-T102 PolarHBondContact O-OG1 3.18Å; P99-H103 WeakPolarHBondContact O-CB 3.45Å; P99-H103 PolarHBondContact O-N 3.23Å
100	E	98.4	Very high	97.6	Very high	29 Å²	29	53.6 Å²	53.6	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-50.9	179.4	-176.5	176	116.1	0	0	111.8	R68 Y72 K96 W97 H98 T102 H103 H104	R68-E100 IonicContact CZ-OE1 2.7Å; R68-E100 VanDerWaalsContact CZ-OE1 3.24Å; R68-E100 IonicContact CZ-OE2 3.19Å; R68-E100 IonicContact NE-OE1 3.74Å; R68-E100 PolarHBondContact NE-OE1 2.9Å; R68-E100 VanDerWaalsContact NH2-CD 3.28Å; R68-E100 IonicContact NH2-OE1 3.54Å; R68-E100 PolarHBondContact NH2-OE1 2.83Å; R68-E100 IonicContact NH2-OE2 3.29Å; R68-E100 PolarHBondContact NH2-OE2 2.89Å; Y72-E100 HydrophobicContact CE2-CG 4.2Å; Y72-E100 PolarHBondContact OH-OE1 3Å; K96-E100 VanDerWaalsContact O-CB 3.25Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 PolarHBondContact O-N 2.8Å; W97-E100 PolarHBondContact O-N 2.96Å; H98-E100 VanDerWaalsContact C-N 3.33Å; H98-E100 PolarHBondContact O-N 3.22Å; E100-T102 PolarHBondContact O-N 3.12Å; E100-H103 PolarHBondContact O-N 3.32Å; E100-H104 PolarHBondContact O-CD2 2.94Å; E100-H104 PolarHBondContact O-N 3.47Å
101	V	98.3	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-45.9	179.1	169.4	0	0	0	0	111.1	V9 F78 I80 W97 H98 H104 C105 I110	V9-V101 HydrophobicContact CG2-CG2 3.92Å; F78-V101 HydrophobicContact CB-CG1 4.13Å; F78-V101 HydrophobicContact CD1-CG1 4.08Å; F78-V101 HydrophobicContact CD1-CG2 3.92Å; F78-V101 HydrophobicContact CD2-CG1 3.49Å; F78-V101 VanDerWaalsContact CD2-CG1 3.49Å; F78-V101 HydrophobicContact CE1-CG1 4.37Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.63Å; F78-V101 HydrophobicContact CG-CG2 4.24Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; I80-V101 HydrophobicContact CD1-CB 4.35Å; I80-V101 HydrophobicContact CD1-CG2 4.09Å; I80-V101 HydrophobicContact CG1-CG2 4.41Å; W97-V101 WeakPolarHBondContact O-CB 3.31Å; W97-V101 WeakPolarHBondContact O-CG2 3.36Å; W97-V101 PolarHBondContact O-N 2.86Å; H98-V101 PolarHBondContact O-N 2.95Å; V101-H104 PolarHBondContact O-N 3.21Å; V101-C105 CarbonylContact O-C 3.55Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.26Å; V101-C105 PolarHBondContact O-N 3.06Å; V101-I110 HydrophobicContact CG1-CD1 3.86Å; V101-I110 HydrophobicContact CG1-CG1 4.07Å
102	T	97.6	Very high	97.5	Very high	44 Å²	44	49.2 Å²	49.2	27%	0.27	26%	0.256	S	S	.	.	H	α-helix	trans	-72.1	-28.9	-178	53	0	0	0	0	113.2	H98 P99 E100 P106 I110	H98-T102 WeakPolarHBondContact NE2-CG2 3.38Å; H98-T102 WeakPolarHBondContact O-CB 3.28Å; H98-T102 WeakPolarHBondContact O-CG2 3.29Å; H98-T102 PolarHBondContact O-N 3.47Å; H98-T102 PolarHBondContact O-OG1 3.34Å; P99-T102 PolarHBondContact O-OG1 3.18Å; E100-T102 PolarHBondContact O-N 3.12Å; T102-P106 VanDerWaalsContact O-CA 3.29Å; T102-P106 WeakPolarHBondContact O-CA 3.38Å; T102-P106 WeakPolarHBondContact O-CB 3.31Å; T102-I110 HydrophobicContact CG2-CD1 4.11Å
103	H	97.5	Very high	97.6	Very high	148 Å²	148	46.6 Å²	46.6	69%	0.685	24%	0.242	S	C	*	.	H	α-helix	trans	-63.7	-45.7	172.3	179.4	72.2	0	0	0	111.6	P99 E100	P99-H103 WeakPolarHBondContact O-CB 3.45Å; P99-H103 PolarHBondContact O-N 3.23Å; E100-H103 PolarHBondContact O-N 3.32Å
104	H	97.6	Very high	97.6	Very high	89 Å²	89	46.6 Å²	46.6	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-86.4	-28.7	-177.1	-74.1	-75.3	0	0	0	114.1	T69 Y72 E100 V101	T69-H104 WeakPolarHBondContact CG2-NE2 3.47Å; Y72-H104 HydrophobicContact CD2-CB 3.63Å; Y72-H104 AromaticContact CD2-CG 3.86Å; Y72-H104 HydrophobicContact CE2-CB 4.27Å; E100-H104 PolarHBondContact O-CD2 2.94Å; E100-H104 PolarHBondContact O-N 3.47Å; V101-H104 PolarHBondContact O-N 3.21Å
105	C	96.9	Very high	97.6	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.115	23%	0.229	C	C	.	.			trans	-141.5	66.3	-171.2	-71.2	0	0	0	0	111.1	F78 V101 N107 T108	F78-C105 HydrophobicContact CD2-CB 4.5Å; F78-C105 HydrophobicContact CE2-CB 3.54Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; V101-C105 CarbonylContact O-C 3.55Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.26Å; V101-C105 PolarHBondContact O-N 3.06Å; C105-N107 VanDerWaalsContact C-N 3.26Å; C105-N107 PolarHBondContact O-N 3.12Å; C105-N107 VanDerWaalsContact O-N 3.12Å; C105-T108 PolarHBondContact O-N 2.85Å
106	P	95.1	Very high	97.6	Very high	91 Å²	91	40.2 Å²	40.2	59%	0.591	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.8	-167.2	23.3	-35.1	0	0	0	115.3	T102	T102-P106 VanDerWaalsContact O-CA 3.29Å; T102-P106 WeakPolarHBondContact O-CA 3.38Å; T102-P106 WeakPolarHBondContact O-CB 3.31Å
107	N	92.3	Very high	97.7	Very high	152 Å²	152	41.9 Å²	41.9	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	3.7	-176.3	-60	-45.8	0	0	0	113.1	C105	C105-N107 VanDerWaalsContact C-N 3.26Å; C105-N107 PolarHBondContact O-N 3.12Å; C105-N107 VanDerWaalsContact O-N 3.12Å
108	T	96.2	Very high	97.7	Very high	28 Å²	28	44.1 Å²	44.1	17%	0.172	23%	0.232	C	C	.	.	S	Bend	trans	-83.9	129.1	-176.6	-58.2	0	0	0	0	109.6	T75 F78 C105	T75-T108 HydrophobicContact CG2-CG2 4.09Å; T75-T108 WeakPolarHBondContact O-CG2 3.45Å; T75-T108 PolarHBondContact O-OG1 2.83Å; F78-T108 HydrophobicContact CD2-CG2 3.47Å; F78-T108 VanDerWaalsContact CD2-CG2 3.47Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; C105-T108 PolarHBondContact O-N 2.85Å
109	P	96.8	Very high	97.7	Very high	30 Å²	30	44 Å²	44	20%	0.195	23%	0.233	C	C	.	.			trans	-62.1	143.6	179.9	24.4	-33.7	0	0	0	111.6	N76 V77 F78 I152 A175	N76-P109 VanDerWaalsContact O-CD 3.3Å; N76-P109 WeakPolarHBondContact O-CD 3.14Å; N76-P109 VanDerWaalsContact O-CG 3.23Å; N76-P109 WeakPolarHBondContact O-CG 3.19Å; V77-P109 HydrophobicContact CB-CG 4.29Å; V77-P109 HydrophobicContact CG2-CG 4.33Å; F78-P109 PolarHBondContact N-O 2.93Å; P109-I152 HydrophobicContact CB-CD1 4.26Å; P109-I152 HydrophobicContact CB-CG1 3.71Å; P109-A175 HydrophobicContact CB-CB 4.3Å
110	I	98.1	Very high	97.6	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.6	-178.8	-66.1	168.1	0	0	0	109.4	F78 I80 V101 T102 A151 I152	F78-I110 HydrophobicContact CB-CG1 4.24Å; F78-I110 WeakPolarHBondContact O-CA 3.5Å; I80-I110 HydrophobicContact CB-CG2 4.45Å; I80-I110 HydrophobicContact CD1-CD1 4.17Å; I80-I110 HydrophobicContact CD1-CG1 4.42Å; I80-I110 HydrophobicContact CD1-CG2 3.61Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; V101-I110 HydrophobicContact CG1-CD1 3.86Å; V101-I110 HydrophobicContact CG1-CG1 4.07Å; T102-I110 HydrophobicContact CG2-CD1 4.11Å; I110-A151 HydrophobicContact CG2-CB 4.13Å; I110-A151 CarbonylContact O-C 3.48Å; I110-A151 WeakPolarHBondContact O-CA 3.33Å; I110-A151 WeakPolarHBondContact O-CB 3.45Å; I110-I152 PolarHBondContact O-N 3.4Å
111	L	98.4	Very high	97.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.9	160.1	-64.3	-179.4	0	0	0	109.4	V77 F78 V79 I80 V113 I152 K153 V168 E171 G172	V77-L111 HydrophobicContact CG2-CG 4.45Å; F78-L111 PolarHBondContact O-N 2.95Å; V79-L111 HydrophobicContact CG2-CB 4.39Å; V79-L111 HydrophobicContact CG2-CD1 4.34Å; I80-L111 PolarHBondContact N-O 2.55Å; L111-V113 HydrophobicContact CB-CG2 4.47Å; L111-I152 HydrophobicContact CD2-CB 4.18Å; L111-K153 HydrophobicContact CD2-CB 3.85Å; L111-V168 WeakPolarHBondContact CD1-O 3.4Å; L111-E171 HydrophobicContact CD1-CB 4.27Å; L111-G172 VanDerWaalsContact CD1-CA 3.49Å
112	L	98.8	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.1	169.2	-178.6	66.4	0	0	0	108.9	F82 I93 G142 L145 A146 I149 A151 K153 Y154 L155	F82-L112 HydrophobicContact CD1-CD1 3.88Å; F82-L112 HydrophobicContact CD1-CG 4.39Å; F82-L112 HydrophobicContact CE1-CD1 3.99Å; F82-L112 HydrophobicContact CE1-CD2 4.27Å; F82-L112 HydrophobicContact CE1-CG 4Å; I93-L112 HydrophobicContact CG1-CD1 4.16Å; I93-L112 HydrophobicContact CG2-CD1 3.92Å; L112-G142 WeakPolarHBondContact CD2-O 3.38Å; L112-L145 HydrophobicContact CD1-CD2 4.35Å; L112-L145 HydrophobicContact CD2-CB 4.03Å; L112-L145 HydrophobicContact CD2-CD2 3.81Å; L112-L145 HydrophobicContact CD2-CG 3.74Å; L112-A146 HydrophobicContact CB-CB 4.26Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; L112-I149 HydrophobicContact CB-CD1 4.45Å; L112-I149 HydrophobicContact CD1-CD1 4.25Å; L112-I149 HydrophobicContact CD2-CD1 4.46Å; L112-A151 HydrophobicContact CB-CB 4.14Å; L112-K153 PolarHBondContact N-O 3.38Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.79Å; L112-Y154 HydrophobicContact CD2-CE2 4.3Å; L112-Y154 HydrophobicContact CG-CD2 3.77Å; L112-Y154 HydrophobicContact CG-CE2 4.23Å; L112-Y154 WeakPolarHBondContact O-CA 3.06Å; L112-Y154 WeakPolarHBondContact O-CD2 3.43Å; L112-L155 PolarHBondContact O-N 3.42Å
113	V	98.9	Very high	97.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.5	-176.2	179.3	0	0	0	0	111.5	L19 V79 I80 C81 F82 L111 T115 L155 V168	L19-V113 HydrophobicContact CD2-CG1 4.49Å; V79-V113 HydrophobicContact CG1-CB 4.04Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; I80-V113 PolarHBondContact O-N 2.79Å; C81-V113 WeakPolarHBondContact CA-O 3.4Å; F82-V113 PolarHBondContact N-O 3Å; L111-V113 HydrophobicContact CB-CG2 4.47Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-L155 CarbonylContact C-O 3.35Å; V113-L155 VanDerWaalsContact CA-O 3.32Å; V113-L155 WeakPolarHBondContact CA-O 3.34Å; V113-L155 HydrophobicContact CG2-CB 4.48Å; V113-V168 HydrophobicContact CG1-CG2 3.99Å; V113-V168 HydrophobicContact CG2-CG1 3.88Å; V113-V168 HydrophobicContact CG2-CG2 3.99Å
114	G	98.9	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.9	168.3	0	0	0	0	0	110.7	F82 L155 E156 C157	F82-G114 CarbonylContact O-C 3.47Å; F82-G114 WeakPolarHBondContact O-CA 3.34Å; G114-L155 PolarHBondContact N-O 3.41Å; G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.23Å; G114-E156 WeakPolarHBondContact O-CA 3.34Å; G114-C157 PolarHBondContact O-N 2.97Å
115	T	98.8	Very high	97.6	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	166.8	179.7	62.8	0	0	0	0	111.8	V14 C81 F82 S83 I84 V113 K117 C157	V14-T115 WeakPolarHBondContact O-CB 3.21Å; V14-T115 PolarHBondContact O-OG1 2.78Å; C81-T115 HydrophobicContact CB-CG2 4.1Å; F82-T115 PolarHBondContact O-N 2.95Å; F82-T115 PolarHBondContact O-OG1 3.3Å; S83-T115 WeakPolarHBondContact CA-OG1 3.13Å; I84-T115 PolarHBondContact N-O 3.38Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; T115-K117 VanDerWaalsContact C-N 3.33Å; T115-K117 PolarHBondContact O-N 2.97Å; T115-C157 CarbonylContact C-O 3.57Å
116	K	98.4	Very high	97.7	Very high	71 Å²	71	53.7 Å²	53.7	31%	0.309	29%	0.285	S	S	.	.			trans	58.4	42.6	179.7	-43.7	-167.5	-169.4	-177.9	0	112.6	A13 V14 S83 D118 L119 C157	A13-K116 VanDerWaalsContact O-CE 3.29Å; A13-K116 WeakPolarHBondContact O-CE 3.23Å; A13-K116 PolarHBondContact O-NZ 3.19Å; V14-K116 VanDerWaalsContact O-CE 3.28Å; V14-K116 WeakPolarHBondContact O-CE 3.39Å; S83-K116 WeakPolarHBondContact OG-CD 3.47Å; K116-D118 VanDerWaalsContact C-OD1 3.31Å; K116-D118 WeakPolarHBondContact CA-OD1 3.3Å; K116-D118 PolarHBondContact O-N 2.98Å; K116-L119 HydrophobicContact CB-CD1 3.82Å; K116-L119 HydrophobicContact CB-CG 4.06Å; K116-L119 HydrophobicContact CD-CD1 3.81Å; K116-L119 HydrophobicContact CG-CD1 4.46Å; K116-L119 WeakPolarHBondContact O-CB 3.14Å; K116-L119 PolarHBondContact O-N 2.82Å; K116-C157 PolarHBondContact N-O 3.18Å
117	K	98.7	Very high	97.8	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.296	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55	-30.8	178.4	-178.6	-173.9	171.1	-162.6	0	113.2	I84 T115 L119 R120 E156 C157 D163	I84-K117 HydrophobicContact CD1-CB 3.8Å; I84-K117 HydrophobicContact CD1-CG 4.2Å; T115-K117 VanDerWaalsContact C-N 3.33Å; T115-K117 PolarHBondContact O-N 2.97Å; K117-L119 PolarHBondContact O-N 3.43Å; K117-R120 WeakPolarHBondContact O-CB 3.19Å; K117-R120 PolarHBondContact O-N 3.48Å; K117-R120 VanDerWaalsContact O-N 3.12Å; K117-E156 HydrophobicContact CD-CB 3.99Å; K117-E156 HydrophobicContact CG-CB 4.39Å; K117-C157 WeakPolarHBondContact CB-O 3.41Å; K117-C157 PolarHBondContact N-O 2.77Å; K117-D163 WeakPolarHBondContact CD-OD2 3.23Å; K117-D163 IonicContact NZ-OD1 3.36Å; K117-D163 IonicContact NZ-OD2 3.72Å; K117-D163 PolarHBondContact NZ-OD2 2.88Å
118	D	98.3	Very high	98.1	Very high	47 Å²	47	55.2 Å²	55.2	25%	0.251	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-54.1	-32	173	50.5	-74.3	0	0	0	113.3	K116 R120 S158	K116-D118 VanDerWaalsContact C-OD1 3.31Å; K116-D118 WeakPolarHBondContact CA-OD1 3.3Å; K116-D118 PolarHBondContact O-N 2.98Å; D118-R120 VanDerWaalsContact C-N 3.28Å; D118-R120 PolarHBondContact O-N 3.39Å; D118-S158 VanDerWaalsContact CG-OG 3.25Å; D118-S158 WeakPolarHBondContact OD1-CB 3.29Å; D118-S158 PolarHBondContact OD1-OG 3.32Å
119	L	98.3	Very high	98.1	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.215	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-79.7	-4.1	-178.9	-59.5	-176.6	0	0	0	114.3	A85 K116 K117 N121 D122 V125	A85-L119 HydrophobicContact CB-CB 3.8Å; A85-L119 HydrophobicContact CB-CD1 3.78Å; A85-L119 HydrophobicContact CB-CG 4.47Å; K116-L119 HydrophobicContact CB-CD1 3.82Å; K116-L119 HydrophobicContact CB-CG 4.06Å; K116-L119 HydrophobicContact CD-CD1 3.81Å; K116-L119 HydrophobicContact CG-CD1 4.46Å; K116-L119 WeakPolarHBondContact O-CB 3.14Å; K116-L119 PolarHBondContact O-N 2.82Å; K117-L119 PolarHBondContact O-N 3.43Å; L119-N121 PolarHBondContact O-N 3.43Å; L119-D122 HydrophobicContact CD2-CB 4.23Å; L119-D122 PolarHBondContact O-N 2.84Å; L119-V125 HydrophobicContact CB-CG2 4.25Å; L119-V125 HydrophobicContact CD1-CG2 4.37Å; L119-V125 HydrophobicContact CD2-CG2 4.16Å; L119-V125 HydrophobicContact CG-CG2 4.5Å
120	R	98	Very high	98.2	Very high	46 Å²	46	60.4 Å²	60.4	17%	0.174	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.6	-40.1	-176.8	175.8	169.7	-75.1	150.9	2	112.8	I84 K117 D118 T136 I137 E156	I84-R120 HydrophobicContact CG2-CB 4.06Å; K117-R120 WeakPolarHBondContact O-CB 3.19Å; K117-R120 PolarHBondContact O-N 3.48Å; K117-R120 VanDerWaalsContact O-N 3.12Å; D118-R120 VanDerWaalsContact C-N 3.28Å; D118-R120 PolarHBondContact O-N 3.39Å; R120-T136 PolarHBondContact O-OG1 2.56Å; R120-I137 PolarHBondContact NE-O 3.25Å; R120-I137 PolarHBondContact NH2-O 2.91Å; R120-E156 IonicContact CZ-OE1 2.96Å; R120-E156 IonicContact CZ-OE2 3.56Å; R120-E156 IonicContact NH1-OE1 3.34Å; R120-E156 IonicContact NH1-OE2 3.59Å; R120-E156 PolarHBondContact NH1-OE2 3.31Å; R120-E156 IonicContact NH2-OE1 2.94Å; R120-E156 PolarHBondContact NH2-OE1 3.04Å; R120-E156 IonicContact NH2-OE2 2.73Å; R120-E156 PolarHBondContact NH2-OE2 3.1Å
121	N	97.1	Very high	98.1	Very high	131 Å²	131	65.4 Å²	65.4	70%	0.701	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-113.3	12.9	-176.7	-61.6	-34.6	0	0	0	112	L119 P123	L119-N121 PolarHBondContact O-N 3.43Å; N121-P123 WeakPolarHBondContact O-CD 3.33Å
122	D	98.1	Very high	98.1	Very high	49 Å²	49	70.6 Å²	70.6	26%	0.262	34%	0.344	S	S	.	.			trans	-68.3	123.3	179.2	177.2	-87.2	0	0	0	110.1	L119 E124 V125 L126	L119-D122 HydrophobicContact CD2-CB 4.23Å; L119-D122 PolarHBondContact O-N 2.84Å; D122-E124 VanDerWaalsContact C-N 3.3Å; D122-E124 PolarHBondContact O-N 3.47Å; D122-E124 WeakPolarHBondContact OD1-CB 3.16Å; D122-E124 PolarHBondContact OD1-N 3.07Å; D122-V125 HydrophobicContact CB-CB 4.04Å; D122-V125 HydrophobicContact CB-CG2 4.07Å; D122-V125 PolarHBondContact O-N 3.26Å; D122-V125 WeakPolarHBondContact OD1-CG2 3.35Å; D122-V125 PolarHBondContact OD1-N 3.21Å; D122-L126 WeakPolarHBondContact O-CB 3.43Å; D122-L126 VanDerWaalsContact O-CG 3.26Å; D122-L126 WeakPolarHBondContact O-CG 3.35Å; D122-L126 PolarHBondContact O-N 2.73Å
123	P	98	Very high	98	Very high	100 Å²	100	78.1 Å²	78.1	65%	0.649	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-35.5	-174.4	-25.6	34.9	0	0	0	114.1	N121 K127	N121-P123 WeakPolarHBondContact O-CD 3.33Å; P123-K127 WeakPolarHBondContact O-CB 3.36Å; P123-K127 PolarHBondContact O-N 3.3Å
124	E	97.9	Very high	97.9	Very high	161 Å²	161	81.1 Å²	81.1	75%	0.752	40%	0.398	S	S	*	.	H	α-helix	trans	-73.3	-43.6	-178.6	-61.5	-169	163.5	0	0	111	D122 K127 K128	D122-E124 VanDerWaalsContact C-N 3.3Å; D122-E124 PolarHBondContact O-N 3.47Å; D122-E124 WeakPolarHBondContact OD1-CB 3.16Å; D122-E124 PolarHBondContact OD1-N 3.07Å; E124-K127 PolarHBondContact O-N 3.21Å; E124-K128 WeakPolarHBondContact O-CB 3.32Å; E124-K128 PolarHBondContact O-N 3.4Å
125	V	97.7	Very high	97.9	Very high	27 Å²	27	88.5 Å²	88.5	16%	0.164	44%	0.435	C	S	.	.	H	α-helix	trans	-61.3	-46.9	174.2	171.4	0	0	0	0	110.8	A85 L119 D122 K127 K128 L129 T136	A85-V125 HydrophobicContact CB-CG1 3.71Å; L119-V125 HydrophobicContact CB-CG2 4.25Å; L119-V125 HydrophobicContact CD1-CG2 4.37Å; L119-V125 HydrophobicContact CD2-CG2 4.16Å; L119-V125 HydrophobicContact CG-CG2 4.5Å; D122-V125 HydrophobicContact CB-CB 4.04Å; D122-V125 HydrophobicContact CB-CG2 4.07Å; D122-V125 PolarHBondContact O-N 3.26Å; D122-V125 WeakPolarHBondContact OD1-CG2 3.35Å; D122-V125 PolarHBondContact OD1-N 3.21Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.4Å; V125-K128 PolarHBondContact O-N 3.39Å; V125-L129 HydrophobicContact CG1-CD1 3.82Å; V125-L129 HydrophobicContact CG1-CG 4.39Å; V125-L129 WeakPolarHBondContact O-CB 3.18Å; V125-L129 WeakPolarHBondContact O-CG 3.42Å; V125-L129 PolarHBondContact O-N 2.7Å; V125-T136 HydrophobicContact CG1-CG2 4.14Å
126	L	98.1	Very high	97.9	Very high	70 Å²	70	89 Å²	89	37%	0.366	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-43	178.6	-74.2	176	0	0	0	111.8	D122 K130 T136	D122-L126 WeakPolarHBondContact O-CB 3.43Å; D122-L126 VanDerWaalsContact O-CG 3.26Å; D122-L126 WeakPolarHBondContact O-CG 3.35Å; D122-L126 PolarHBondContact O-N 2.73Å; L126-K130 VanDerWaalsContact O-CB 3.26Å; L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 2.85Å; L126-T136 HydrophobicContact CD2-CG2 4.06Å
127	K	98.1	Very high	97.9	Very high	141 Å²	141	85.9 Å²	85.9	61%	0.613	42%	0.424	S	S	*	.	H	α-helix	trans	-61.3	-50.7	175.7	-176.1	-177.5	176.6	-174.3	0	111.2	P123 E124 V125 L129 K130 D131	P123-K127 WeakPolarHBondContact O-CB 3.36Å; P123-K127 PolarHBondContact O-N 3.3Å; E124-K127 PolarHBondContact O-N 3.21Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.4Å; K127-L129 PolarHBondContact O-N 3.49Å; K127-K130 WeakPolarHBondContact O-CB 3.43Å; K127-K130 PolarHBondContact O-N 3.26Å; K127-D131 VanDerWaalsContact O-CG 3.3Å; K127-D131 PolarHBondContact O-N 2.73Å
128	K	97.8	Very high	97.9	Very high	134 Å²	134	85.6 Å²	85.6	58%	0.583	43%	0.428	S	S	*	.	H	α-helix	trans	-59.4	-44.4	-179.7	-179	-178.6	176.5	-178.6	0	112.5	E124 V125 D131 Q132	E124-K128 WeakPolarHBondContact O-CB 3.32Å; E124-K128 PolarHBondContact O-N 3.4Å; V125-K128 PolarHBondContact O-N 3.39Å; K128-D131 PolarHBondContact O-N 3.26Å; K128-Q132 WeakPolarHBondContact O-CG 3.45Å; K128-Q132 PolarHBondContact O-N 3.2Å
129	L	97.6	Very high	97.8	Very high	8 Å²	8	87.5 Å²	87.5	4%	0.042	44%	0.436	C	S	.	.	H	α-helix	trans	-66.3	-40.5	177.6	-72.7	172.7	0	0	0	111	P87 V125 K127 D131 Q132 N133 Q134 T136	P87-L129 HydrophobicContact CG-CD2 4.2Å; V125-L129 HydrophobicContact CG1-CD1 3.82Å; V125-L129 HydrophobicContact CG1-CG 4.39Å; V125-L129 WeakPolarHBondContact O-CB 3.18Å; V125-L129 WeakPolarHBondContact O-CG 3.42Å; V125-L129 PolarHBondContact O-N 2.7Å; K127-L129 PolarHBondContact O-N 3.49Å; L129-D131 VanDerWaalsContact C-N 3.33Å; L129-D131 PolarHBondContact O-N 3.09Å; L129-Q132 CarbonylContact O-C 3.54Å; L129-Q132 WeakPolarHBondContact O-CA 3.19Å; L129-Q132 WeakPolarHBondContact O-CB 3.1Å; L129-Q132 PolarHBondContact O-N 2.84Å; L129-N133 PolarHBondContact O-N 3.2Å; L129-Q134 CarbonylContact C-O 3.21Å; L129-Q134 HydrophobicContact CB-CB 4.22Å; L129-Q134 HydrophobicContact CD2-CB 4Å; L129-Q134 WeakPolarHBondContact O-CA 2.84Å; L129-Q134 PolarHBondContact O-N 3.05Å; L129-T136 HydrophobicContact CD1-CG2 3.55Å
130	K	97.4	Very high	97.9	Very high	158 Å²	158	93.2 Å²	93.2	69%	0.687	46%	0.461	S	S	*	.	H	α-helix	trans	-60.9	-41	176.1	-172.4	-179.8	180	-177.7	0	112.2	L126 K127 Q132 N133 Q134	L126-K130 VanDerWaalsContact O-CB 3.26Å; L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 2.85Å; K127-K130 WeakPolarHBondContact O-CB 3.43Å; K127-K130 PolarHBondContact O-N 3.26Å; K130-Q132 PolarHBondContact O-N 2.85Å; K130-N133 PolarHBondContact O-N 3.32Å; K130-Q134 PolarHBondContact N-O 3.48Å
131	D	97.6	Very high	97.9	Very high	118 Å²	118	94.9 Å²	94.9	63%	0.631	47%	0.471	S	S	*	.	H	α-helix	trans	-61.2	-23.5	175	-65.3	-19.3	0	0	0	112.1	K127 K128 L129	K127-D131 VanDerWaalsContact O-CG 3.3Å; K127-D131 PolarHBondContact O-N 2.73Å; K128-D131 PolarHBondContact O-N 3.26Å; L129-D131 VanDerWaalsContact C-N 3.33Å; L129-D131 PolarHBondContact O-N 3.09Å
132	Q	96.9	Very high	98	Very high	109 Å²	109	88.6 Å²	88.6	51%	0.509	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.3	175.5	-62.8	177.6	-19.3	0	0	113.3	K128 L129 K130 Q134	K128-Q132 WeakPolarHBondContact O-CG 3.45Å; K128-Q132 PolarHBondContact O-N 3.2Å; L129-Q132 CarbonylContact O-C 3.54Å; L129-Q132 WeakPolarHBondContact O-CA 3.19Å; L129-Q132 WeakPolarHBondContact O-CB 3.1Å; L129-Q132 PolarHBondContact O-N 2.84Å; K130-Q132 PolarHBondContact O-N 2.85Å; Q132-Q134 HydrophobicContact CB-CG 4.48Å; Q132-Q134 PolarHBondContact O-N 3.09Å
133	N	97.4	Very high	98	Very high	157 Å²	157	88.4 Å²	88.4	84%	0.84	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.2	-172.6	-61.4	-60.3	0	0	0	113.9	L129 K130	L129-N133 PolarHBondContact O-N 3.2Å; K130-N133 PolarHBondContact O-N 3.32Å
134	Q	97.5	Very high	98	Very high	64 Å²	64	86.1 Å²	86.1	30%	0.299	43%	0.428	S	S	.	.			trans	-120.9	166.1	-179.9	-71.8	-174.1	-29.3	0	0	111.4	P87 L129 K130 Q132	P87-Q134 HydrophobicContact CG-CB 4.22Å; L129-Q134 CarbonylContact C-O 3.21Å; L129-Q134 HydrophobicContact CB-CB 4.22Å; L129-Q134 HydrophobicContact CD2-CB 4Å; L129-Q134 WeakPolarHBondContact O-CA 2.84Å; L129-Q134 PolarHBondContact O-N 3.05Å; K130-Q134 PolarHBondContact N-O 3.48Å; Q132-Q134 HydrophobicContact CB-CG 4.48Å; Q132-Q134 PolarHBondContact O-N 3.09Å
135	M	97.7	Very high	98.1	Very high	155 Å²	155	78.6 Å²	78.6	76%	0.764	39%	0.393	S	S	*	.			trans	-136.2	160.4	175.2	-64.1	-173	-66.2	0	0	109.9	P87	P87-M135 WeakPolarHBondContact CG-O 3.18Å
136	T	98.4	Very high	98.1	Very high	15 Å²	15	77.6 Å²	77.6	9%	0.092	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.7	151.3	172.1	53.7	0	0	0	0	110.7	I84 R120 V125 L126 L129 T138	I84-T136 WeakPolarHBondContact O-CA 3.33Å; R120-T136 PolarHBondContact O-OG1 2.56Å; V125-T136 HydrophobicContact CG1-CG2 4.14Å; L126-T136 HydrophobicContact CD2-CG2 4.06Å; L129-T136 HydrophobicContact CD1-CG2 3.55Å; T136-T138 PolarHBondContact O-N 3.45Å
137	I	98.6	Very high	98.1	Very high	4 Å²	4	83.6 Å²	83.6	2%	0.021	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-72	128.2	-179.9	-56.4	-57.3	0	0	0	110.1	F82 I84 P87 F90 R120 Q141	F82-I137 HydrophobicContact CD2-CG1 4.44Å; F82-I137 HydrophobicContact CE2-CB 3.89Å; F82-I137 HydrophobicContact CE2-CG1 3.97Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 3.99Å; I84-I137 PolarHBondContact O-N 3.12Å; P87-I137 HydrophobicContact CB-CD1 4.22Å; P87-I137 HydrophobicContact CG-CD1 4.35Å; F90-I137 HydrophobicContact CB-CD1 3.88Å; F90-I137 HydrophobicContact CB-CG1 3.91Å; F90-I137 HydrophobicContact CD1-CD1 3.9Å; F90-I137 HydrophobicContact CD2-CD1 4.43Å; F90-I137 HydrophobicContact CD2-CG1 4.28Å; F90-I137 HydrophobicContact CD2-CG2 3.87Å; F90-I137 HydrophobicContact CE2-CG2 3.88Å; F90-I137 HydrophobicContact CG-CD1 3.82Å; F90-I137 HydrophobicContact CG-CG1 4.02Å; F90-I137 HydrophobicContact CG-CG2 4.32Å; F90-I137 HydrophobicContact CZ-CG2 4.38Å; R120-I137 PolarHBondContact NE-O 3.25Å; R120-I137 PolarHBondContact NH2-O 2.91Å; I137-Q141 HydrophobicContact CG2-CB 3.97Å
138	T	98.5	Very high	98.1	Very high	62 Å²	62	82.6 Å²	82.6	38%	0.38	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-83	156.1	177.7	64.6	0	0	0	0	111.8	T136 Q140 Q141 G142	T136-T138 PolarHBondContact O-N 3.45Å; T138-Q140 PolarHBondContact O-N 3.33Å; T138-Q141 PolarHBondContact O-N 2.99Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.32Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.31Å; T138-Q141 PolarHBondContact OG1-N 2.68Å; T138-Q141 PolarHBondContact OG1-OE1 3.14Å; T138-G142 PolarHBondContact O-N 2.91Å; T138-G142 VanDerWaalsContact O-N 3.09Å
139	Q	98.1	Very high	98	Very high	87 Å²	87	76.6 Å²	76.6	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-55.2	-36	173.1	-174.5	72.1	46.8	0	0	112	T143 Y154 E156	Q139-T143 WeakPolarHBondContact O-CB 3.41Å; Q139-T143 PolarHBondContact O-N 3.02Å; Q139-T143 PolarHBondContact O-OG1 2.93Å; Q139-Y154 VanDerWaalsContact NE2-CE1 3.28Å; Q139-E156 WeakPolarHBondContact CA-OE1 3.2Å; Q139-E156 PolarHBondContact OE1-OE1 3.5Å; Q139-E156 PolarHBondContact OE1-OE2 3.25Å
140	Q	98.6	Very high	98	Very high	161 Å²	161	84.2 Å²	84.2	75%	0.752	41%	0.412	S	S	*	.	H	α-helix	trans	-67.1	-43.9	179.2	-174.1	178.8	1.4	0	0	111.7	T138 T143 A144	T138-Q140 PolarHBondContact O-N 3.33Å; Q140-T143 PolarHBondContact O-N 2.66Å; Q140-A144 WeakPolarHBondContact O-CB 3.27Å; Q140-A144 PolarHBondContact O-N 3.47Å
141	Q	98.7	Very high	98	Very high	81 Å²	81	77.4 Å²	77.4	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-47.2	175.7	-75.6	166.8	-63.3	0	0	111.3	F90 I137 T138 T143 A144 L145	F90-Q141 HydrophobicContact CZ-CB 4.01Å; I137-Q141 HydrophobicContact CG2-CB 3.97Å; T138-Q141 PolarHBondContact O-N 2.99Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.32Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.31Å; T138-Q141 PolarHBondContact OG1-N 2.68Å; T138-Q141 PolarHBondContact OG1-OE1 3.14Å; Q141-T143 PolarHBondContact O-N 3.15Å; Q141-A144 PolarHBondContact O-N 3.11Å; Q141-L145 WeakPolarHBondContact O-CB 3.49Å; Q141-L145 PolarHBondContact O-N 2.92Å
142	G	98.6	Very high	97.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-42.2	176.7	0	0	0	0	0	113.3	L112 T138 L145 A146 Y154	L112-G142 WeakPolarHBondContact CD2-O 3.38Å; T138-G142 PolarHBondContact O-N 2.91Å; T138-G142 VanDerWaalsContact O-N 3.09Å; G142-L145 PolarHBondContact O-N 3.13Å; G142-A146 WeakPolarHBondContact O-CB 3.36Å; G142-A146 PolarHBondContact O-N 3.38Å; G142-Y154 VanDerWaalsContact C-CD1 3.42Å
143	T	98.6	Very high	97.9	Very high	44 Å²	44	74.4 Å²	74.4	27%	0.27	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.8	-56.1	0	0	0	0	111.9	Q139 Q140 Q141 A146 R147	Q139-T143 WeakPolarHBondContact O-CB 3.41Å; Q139-T143 PolarHBondContact O-N 3.02Å; Q139-T143 PolarHBondContact O-OG1 2.93Å; Q140-T143 PolarHBondContact O-N 2.66Å; Q141-T143 PolarHBondContact O-N 3.15Å; T143-A146 PolarHBondContact O-N 3.44Å; T143-R147 WeakPolarHBondContact O-CG 3.23Å; T143-R147 PolarHBondContact O-N 3.35Å; T143-R147 VanDerWaalsContact O-N 3.16Å
144	A	98.7	Very high	98	Very high	53 Å²	53	67.8 Å²	67.8	44%	0.438	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.8	0	0	0	0	0	111.5	Q140 Q141 R147 Q148	Q140-A144 WeakPolarHBondContact O-CB 3.27Å; Q140-A144 PolarHBondContact O-N 3.47Å; Q141-A144 PolarHBondContact O-N 3.11Å; A144-R147 PolarHBondContact O-N 2.81Å; A144-Q148 PolarHBondContact O-N 3.18Å
145	L	98.6	Very high	98	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.8	173.8	61.5	0	0	0	111.6	F90 I93 K94 L112 Q141 G142 R147 Q148 I149	F90-L145 HydrophobicContact CD2-CD2 3.65Å; F90-L145 HydrophobicContact CE1-CD2 4.27Å; F90-L145 HydrophobicContact CE2-CB 3.83Å; F90-L145 HydrophobicContact CE2-CD2 3.22Å; F90-L145 HydrophobicContact CE2-CG 4.15Å; F90-L145 HydrophobicContact CG-CD2 4.36Å; F90-L145 HydrophobicContact CZ-CB 3.64Å; F90-L145 HydrophobicContact CZ-CD2 3.58Å; F90-L145 HydrophobicContact CZ-CG 4.21Å; I93-L145 HydrophobicContact CB-CD2 3.88Å; I93-L145 HydrophobicContact CG1-CD2 4.16Å; I93-L145 HydrophobicContact CG2-CD1 4.46Å; I93-L145 HydrophobicContact CG2-CD2 3.9Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; K94-L145 HydrophobicContact CD-CD1 3.98Å; K94-L145 HydrophobicContact CG-CD1 3.44Å; K94-L145 VanDerWaalsContact CG-CD1 3.44Å; L112-L145 HydrophobicContact CD1-CD2 4.35Å; L112-L145 HydrophobicContact CD2-CB 4.03Å; L112-L145 HydrophobicContact CD2-CD2 3.81Å; L112-L145 HydrophobicContact CD2-CG 3.74Å; Q141-L145 WeakPolarHBondContact O-CB 3.49Å; Q141-L145 PolarHBondContact O-N 2.92Å; G142-L145 PolarHBondContact O-N 3.13Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 2.7Å; L145-Q148 WeakPolarHBondContact O-CA 3.44Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 3.36Å; L145-I149 HydrophobicContact CD1-CG2 3.74Å; L145-I149 WeakPolarHBondContact O-CG1 3.23Å; L145-I149 PolarHBondContact O-N 3.12Å
146	A	98.4	Very high	98.1	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-41.5	177.7	0	0	0	0	0	112.3	L112 G142 T143 Q150 A151	L112-A146 HydrophobicContact CB-CB 4.26Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; G142-A146 WeakPolarHBondContact O-CB 3.36Å; G142-A146 PolarHBondContact O-N 3.38Å; T143-A146 PolarHBondContact O-N 3.44Å; A146-Q150 PolarHBondContact O-N 2.89Å; A146-A151 HydrophobicContact CB-CB 4.04Å; A146-A151 PolarHBondContact O-N 3.33Å
147	R	98.1	Very high	98.1	Very high	196 Å²	196	58.6 Å²	58.6	74%	0.74	29%	0.286	S	S	*	.	H	α-helix	trans	-62.9	-43.4	173.5	-69.8	175.7	-174.9	165.9	1.9	112	T143 A144 L145 I149 Q150	T143-R147 WeakPolarHBondContact O-CG 3.23Å; T143-R147 PolarHBondContact O-N 3.35Å; T143-R147 VanDerWaalsContact O-N 3.16Å; A144-R147 PolarHBondContact O-N 2.81Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 2.7Å; R147-I149 VanDerWaalsContact C-N 3.35Å; R147-I149 PolarHBondContact O-N 3.18Å; R147-Q150 PolarHBondContact O-N 3.31Å
148	Q	97.6	Very high	98.1	Very high	121 Å²	121	58.4 Å²	58.4	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-62.8	-40.4	-179.6	-178.8	176.1	-12.8	0	0	112.4	K94 A144 L145 Q150	K94-Q148 VanDerWaalsContact CE-CD 3.49Å; A144-Q148 PolarHBondContact O-N 3.18Å; L145-Q148 WeakPolarHBondContact O-CA 3.44Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 3.36Å; Q148-Q150 VanDerWaalsContact C-N 3.3Å
149	I	97.4	Very high	98.1	Very high	8 Å²	8	56 Å²	56	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.5	178.9	71.7	174.5	0	0	0	113.1	I93 H98 L112 L145 R147 A151	I93-I149 HydrophobicContact CG2-CD1 3.88Å; H98-I149 HydrophobicContact CB-CB 4.46Å; H98-I149 HydrophobicContact CB-CG2 4.25Å; H98-I149 PolarHBondContact NE2-O 2.95Å; L112-I149 HydrophobicContact CB-CD1 4.45Å; L112-I149 HydrophobicContact CD1-CD1 4.25Å; L112-I149 HydrophobicContact CD2-CD1 4.46Å; L145-I149 HydrophobicContact CD1-CG2 3.74Å; L145-I149 WeakPolarHBondContact O-CG1 3.23Å; L145-I149 PolarHBondContact O-N 3.12Å; R147-I149 VanDerWaalsContact C-N 3.35Å; R147-I149 PolarHBondContact O-N 3.18Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 3.91Å; I149-A151 PolarHBondContact O-N 2.93Å; I149-A151 VanDerWaalsContact O-N 3.14Å
150	Q	96.5	Very high	98	Very high	168 Å²	168	56.3 Å²	56.3	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.3	-178.3	-50.3	-176.3	-64.3	0	0	113.7	A146 R147 Q148	A146-Q150 PolarHBondContact O-N 2.89Å; R147-Q150 PolarHBondContact O-N 3.31Å; Q148-Q150 VanDerWaalsContact C-N 3.3Å
151	A	97.4	Very high	97.9	Very high	15 Å²	15	53.5 Å²	53.5	12%	0.124	27%	0.266	C	S	.	.			trans	-64.7	142.7	171.6	0	0	0	0	0	109.8	I110 L112 A146 I149 K153	I110-A151 HydrophobicContact CG2-CB 4.13Å; I110-A151 CarbonylContact O-C 3.48Å; I110-A151 WeakPolarHBondContact O-CA 3.33Å; I110-A151 WeakPolarHBondContact O-CB 3.45Å; L112-A151 HydrophobicContact CB-CB 4.14Å; A146-A151 HydrophobicContact CB-CB 4.04Å; A146-A151 PolarHBondContact O-N 3.33Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 3.91Å; I149-A151 PolarHBondContact O-N 2.93Å; I149-A151 VanDerWaalsContact O-N 3.14Å; A151-K153 PolarHBondContact O-N 3.46Å
152	I	96.1	Very high	97.8	Very high	81 Å²	81	53.1 Å²	53.1	42%	0.415	26%	0.264	S	S	.	.	S	Bend	trans	-59.9	-38	179.3	-59.6	-60.1	0	0	0	110.6	P109 I110 L111 A175	P109-I152 HydrophobicContact CB-CD1 4.26Å; P109-I152 HydrophobicContact CB-CG1 3.71Å; I110-I152 PolarHBondContact O-N 3.4Å; L111-I152 HydrophobicContact CD2-CB 4.18Å; I152-A175 HydrophobicContact CG1-CB 4.35Å; I152-A175 HydrophobicContact CG2-CB 4.07Å
153	K	96.9	Very high	97.8	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.361	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152.2	179	-152.8	169	-172	176.2	0	111.7	L111 L112 A151 L155 E171	L111-K153 HydrophobicContact CD2-CB 3.85Å; L112-K153 PolarHBondContact N-O 3.38Å; A151-K153 PolarHBondContact O-N 3.46Å; K153-L155 HydrophobicContact CD-CD2 4Å; K153-L155 HydrophobicContact CD-CG 4.28Å; K153-L155 HydrophobicContact CG-CD2 4.35Å; K153-L155 HydrophobicContact CG-CG 4.3Å; K153-E171 HydrophobicContact CD-CG 4.06Å; K153-E171 WeakPolarHBondContact CD-OE2 3.13Å; K153-E171 IonicContact NZ-OE1 2.73Å; K153-E171 IonicContact NZ-OE2 3.24Å; K153-E171 PolarHBondContact NZ-OE2 2.91Å
154	Y	98.7	Very high	97.7	Very high	17 Å²	17	54.9 Å²	54.9	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.8	162.2	179	-126.5	0	0	0	109.9	F82 L112 Q139 G142 E156	F82-Y154 AromaticContact CE1-CE2 3.69Å; F82-Y154 HydrophobicContact CE1-CE2 3.69Å; F82-Y154 AromaticContact CZ-CE2 3.77Å; F82-Y154 HydrophobicContact CZ-CE2 3.77Å; F82-Y154 AromaticContact CZ-CZ 3.99Å; F82-Y154 WeakPolarHBondContact CZ-OH 3.36Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.79Å; L112-Y154 HydrophobicContact CD2-CE2 4.3Å; L112-Y154 HydrophobicContact CG-CD2 3.77Å; L112-Y154 HydrophobicContact CG-CE2 4.23Å; L112-Y154 WeakPolarHBondContact O-CA 3.06Å; L112-Y154 WeakPolarHBondContact O-CD2 3.43Å; Q139-Y154 VanDerWaalsContact NE2-CE1 3.28Å; G142-Y154 VanDerWaalsContact C-CD1 3.42Å; Y154-E156 HydrophobicContact CE1-CG 3.77Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.48Å; Y154-E156 HydrophobicContact CE2-CG 4.28Å; Y154-E156 VanDerWaalsContact OH-CG 3.27Å; Y154-E156 WeakPolarHBondContact OH-CG 3.45Å; Y154-E156 PolarHBondContact OH-OE1 3.31Å
155	L	98.8	Very high	97.7	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.3	177.1	-64.4	165.1	0	0	0	109.7	L112 V113 G114 K153 V168 E171	L112-L155 PolarHBondContact O-N 3.42Å; V113-L155 CarbonylContact C-O 3.35Å; V113-L155 VanDerWaalsContact CA-O 3.32Å; V113-L155 WeakPolarHBondContact CA-O 3.34Å; V113-L155 HydrophobicContact CG2-CB 4.48Å; G114-L155 PolarHBondContact N-O 3.41Å; K153-L155 HydrophobicContact CD-CD2 4Å; K153-L155 HydrophobicContact CD-CG 4.28Å; K153-L155 HydrophobicContact CG-CD2 4.35Å; K153-L155 HydrophobicContact CG-CG 4.3Å; L155-V168 HydrophobicContact CB-CG2 4.03Å; L155-V168 HydrophobicContact CD1-CB 4.47Å; L155-V168 HydrophobicContact CD1-CG2 4.14Å; L155-E171 HydrophobicContact CD1-CB 3.84Å; L155-E171 HydrophobicContact CD1-CG 3.89Å
156	E	98.8	Very high	97.5	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.6	174.2	-62.9	-175.9	175.2	0	0	110	I84 G114 K117 R120 Q139 Y154	I84-E156 HydrophobicContact CD1-CB 4.1Å; I84-E156 HydrophobicContact CD1-CG 3.96Å; G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.23Å; G114-E156 WeakPolarHBondContact O-CA 3.34Å; K117-E156 HydrophobicContact CD-CB 3.99Å; K117-E156 HydrophobicContact CG-CB 4.39Å; R120-E156 IonicContact CZ-OE1 2.96Å; R120-E156 IonicContact CZ-OE2 3.56Å; R120-E156 IonicContact NH1-OE1 3.34Å; R120-E156 IonicContact NH1-OE2 3.59Å; R120-E156 PolarHBondContact NH1-OE2 3.31Å; R120-E156 IonicContact NH2-OE1 2.94Å; R120-E156 PolarHBondContact NH2-OE1 3.04Å; R120-E156 IonicContact NH2-OE2 2.73Å; R120-E156 PolarHBondContact NH2-OE2 3.1Å; Q139-E156 WeakPolarHBondContact CA-OE1 3.2Å; Q139-E156 PolarHBondContact OE1-OE1 3.5Å; Q139-E156 PolarHBondContact OE1-OE2 3.25Å; Y154-E156 HydrophobicContact CE1-CG 3.77Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.48Å; Y154-E156 HydrophobicContact CE2-CG 4.28Å; Y154-E156 VanDerWaalsContact OH-CG 3.27Å; Y154-E156 WeakPolarHBondContact OH-CG 3.45Å; Y154-E156 PolarHBondContact OH-OE1 3.31Å
157	C	98.7	Very high	97.5	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.014	30%	0.303	C	S	.	.			trans	-145.2	156.8	-179.1	66.6	0	0	0	0	112.7	G114 T115 K116 K117 D163 I165 V168	G114-C157 PolarHBondContact O-N 2.97Å; T115-C157 CarbonylContact C-O 3.57Å; K116-C157 PolarHBondContact N-O 3.18Å; K117-C157 WeakPolarHBondContact CB-O 3.41Å; K117-C157 PolarHBondContact N-O 2.77Å; C157-D163 CarbonylContact C-O 3.58Å; C157-D163 WeakPolarHBondContact CA-O 3.35Å; C157-D163 VanDerWaalsContact CB-O 3.23Å; C157-D163 WeakPolarHBondContact CB-O 3.38Å; C157-I165 HydrophobicContact CB-CG1 4.11Å; C157-V168 HydrophobicContact CB-CG2 4.36Å
158	S	98.5	Very high	97.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.007	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-121.4	107.5	167.4	174.8	0	0	0	0	109.1	D118 L160 N161 Q162 D163	D118-S158 VanDerWaalsContact CG-OG 3.25Å; D118-S158 WeakPolarHBondContact OD1-CB 3.29Å; D118-S158 PolarHBondContact OD1-OG 3.32Å; S158-L160 PolarHBondContact O-N 3.03Å; S158-L160 PolarHBondContact OG-N 2.8Å; S158-N161 PolarHBondContact O-N 3.29Å; S158-N161 PolarHBondContact OG-N 2.81Å; S158-N161 VanDerWaalsContact OG-N 3.09Å; S158-Q162 PolarHBondContact O-N 2.97Å; S158-D163 PolarHBondContact N-O 2.71Å; S158-D163 PolarHBondContact O-N 3.09Å; S158-D163 VanDerWaalsContact O-N 3.1Å
159	A	97.7	Very high	97.4	Very high	11 Å²	11	48.4 Å²	48.4	9%	0.091	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.6	172.1	0	0	0	0	0	112.3	C18 S22 F28 I165	C18-A159 HydrophobicContact CB-CB 3.8Å; S22-A159 PolarHBondContact OG-O 3.08Å; F28-A159 VanDerWaalsContact CD2-C 3.5Å; F28-A159 HydrophobicContact CD2-CB 3.96Å; F28-A159 WeakPolarHBondContact CD2-O 3.34Å; F28-A159 HydrophobicContact CE2-CB 3.91Å; A159-I165 HydrophobicContact CB-CD1 4.46Å
160	L	96.4	Very high	97.3	Very high	93 Å²	93	48.8 Å²	48.8	49%	0.487	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-46.4	-179.6	-179.6	63.9	0	0	0	111.7	F28 S158	F28-L160 HydrophobicContact CD1-CD1 4.02Å; F28-L160 HydrophobicContact CD2-CB 4.25Å; F28-L160 HydrophobicContact CD2-CD1 4.43Å; F28-L160 HydrophobicContact CE1-CD1 4.27Å; F28-L160 HydrophobicContact CE2-CB 4.26Å; F28-L160 HydrophobicContact CG-CD1 4.09Å; S158-L160 PolarHBondContact O-N 3.03Å; S158-L160 PolarHBondContact OG-N 2.8Å
161	N	96.9	Very high	97.3	Very high	102 Å²	102	42.5 Å²	42.5	55%	0.545	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.1	-175.7	-63.6	-12.6	0	0	0	113.5	S158 D163	S158-N161 PolarHBondContact O-N 3.29Å; S158-N161 PolarHBondContact OG-N 2.81Å; S158-N161 VanDerWaalsContact OG-N 3.09Å; N161-D163 HydrophobicContact CB-CB 4.35Å; N161-D163 PolarHBondContact O-N 2.81Å
162	Q	96.4	Very high	97.2	Very high	74 Å²	74	41.9 Å²	41.9	35%	0.346	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.7	-171.4	-61.1	-70.6	20.6	0	0	113.9	S22 N26 S158	S22-Q162 PolarHBondContact O-NE2 3.19Å; N26-Q162 PolarHBondContact O-NE2 3.47Å; S158-Q162 PolarHBondContact O-N 2.97Å
163	D	98.1	Very high	97.1	Very high	68 Å²	68	38 Å²	38	36%	0.364	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-93.4	128	-176.5	179.3	25.4	0	0	0	110.7	K117 C157 S158 N161 I165	K117-D163 WeakPolarHBondContact CD-OD2 3.23Å; K117-D163 IonicContact NZ-OD1 3.36Å; K117-D163 IonicContact NZ-OD2 3.72Å; K117-D163 PolarHBondContact NZ-OD2 2.88Å; C157-D163 CarbonylContact C-O 3.58Å; C157-D163 WeakPolarHBondContact CA-O 3.35Å; C157-D163 VanDerWaalsContact CB-O 3.23Å; C157-D163 WeakPolarHBondContact CB-O 3.38Å; S158-D163 PolarHBondContact N-O 2.71Å; S158-D163 PolarHBondContact O-N 3.09Å; S158-D163 VanDerWaalsContact O-N 3.1Å; N161-D163 HydrophobicContact CB-CB 4.35Å; N161-D163 PolarHBondContact O-N 2.81Å; D163-I165 PolarHBondContact O-N 2.86Å
164	G	97.5	Very high	97	Very high	12 Å²	12	38 Å²	38	12%	0.124	19%	0.188	C	C	.	.	S	Bend	trans	74.7	-1.9	172.8	0	0	0	0	0	116.3	E167 V168	G164-E167 WeakPolarHBondContact CA-OE2 3.33Å; G164-V168 WeakPolarHBondContact O-CG2 3.24Å; G164-V168 PolarHBondContact O-N 2.86Å
165	I	97.3	Very high	96.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-73	-42.8	-171.5	-63.6	166.4	0	0	0	111.7	L19 Y23 C157 A159 D163 E167 V168 F169	L19-I165 HydrophobicContact CD1-CB 4.14Å; L19-I165 HydrophobicContact CD1-CG1 3.86Å; L19-I165 HydrophobicContact CD1-CG2 3.68Å; Y23-I165 HydrophobicContact CD2-CG2 4.03Å; Y23-I165 HydrophobicContact CG-CG2 4.25Å; C157-I165 HydrophobicContact CB-CG1 4.11Å; A159-I165 HydrophobicContact CB-CD1 4.46Å; D163-I165 PolarHBondContact O-N 2.86Å; I165-E167 PolarHBondContact O-N 2.86Å; I165-V168 PolarHBondContact O-N 3.26Å; I165-F169 HydrophobicContact CG2-CD2 4.28Å; I165-F169 HydrophobicContact CG2-CE2 4.02Å; I165-F169 VanDerWaalsContact O-CD2 3.23Å; I165-F169 WeakPolarHBondContact O-CD2 3.48Å; I165-F169 PolarHBondContact O-N 2.9Å
166	K	95.9	Very high	96.2	Very high	137 Å²	137	39.6 Å²	39.6	60%	0.596	20%	0.197	S	C	*	.	H	α-helix	trans	-64.8	-36.8	179.2	-69.5	-178.6	-180	176.5	0	110.5	F169 A170	K166-F169 PolarHBondContact O-N 3.23Å; K166-A170 VanDerWaalsContact O-CB 3.27Å; K166-A170 WeakPolarHBondContact O-CB 3.49Å; K166-A170 PolarHBondContact O-N 3.39Å
167	E	97.2	Very high	95.7	Very high	102 Å²	102	40 Å²	40	48%	0.477	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-42.3	177.8	-66.2	69.5	-155.9	0	0	111.2	G164 I165 F169 A170 E171	G164-E167 WeakPolarHBondContact CA-OE2 3.33Å; I165-E167 PolarHBondContact O-N 2.86Å; E167-F169 VanDerWaalsContact C-N 3.35Å; E167-F169 PolarHBondContact O-N 2.87Å; E167-A170 PolarHBondContact O-N 3.32Å; E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 WeakPolarHBondContact O-CG 3.41Å; E167-E171 PolarHBondContact O-N 2.89Å
168	V	97.8	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-52.8	-51.6	175.3	168.5	0	0	0	0	111.6	L19 V79 L111 V113 L155 C157 G164 I165 G172	L19-V168 HydrophobicContact CD2-CG1 4.43Å; V79-V168 HydrophobicContact CG1-CG1 4.3Å; V79-V168 HydrophobicContact CG2-CG1 4.42Å; L111-V168 WeakPolarHBondContact CD1-O 3.4Å; V113-V168 HydrophobicContact CG1-CG2 3.99Å; V113-V168 HydrophobicContact CG2-CG1 3.88Å; V113-V168 HydrophobicContact CG2-CG2 3.99Å; L155-V168 HydrophobicContact CB-CG2 4.03Å; L155-V168 HydrophobicContact CD1-CB 4.47Å; L155-V168 HydrophobicContact CD1-CG2 4.14Å; C157-V168 HydrophobicContact CB-CG2 4.36Å; G164-V168 WeakPolarHBondContact O-CG2 3.24Å; G164-V168 PolarHBondContact O-N 2.86Å; I165-V168 PolarHBondContact O-N 3.26Å; V168-G172 PolarHBondContact O-N 2.84Å; V168-G172 VanDerWaalsContact O-N 3.09Å
169	F	96.3	Very high	94.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-78.1	-33.5	-176.2	-64	-66.8	0	0	0	113.1	L19 L20 Y23 L53 L55 I165 K166 E167 G172 V173	L19-F169 HydrophobicContact CD1-CE2 3.91Å; L19-F169 HydrophobicContact CD1-CZ 4.27Å; L19-F169 HydrophobicContact CD2-CZ 4.16Å; L19-F169 HydrophobicContact CG-CE2 3.98Å; L19-F169 HydrophobicContact CG-CZ 3.84Å; L20-F169 HydrophobicContact CD2-CE1 3.93Å; L20-F169 HydrophobicContact CD2-CZ 3.71Å; Y23-F169 AromaticContact CD1-CD2 3.63Å; Y23-F169 HydrophobicContact CD1-CD2 3.63Å; Y23-F169 AromaticContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CG 4.05Å; Y23-F169 HydrophobicContact CD2-CB 4.43Å; Y23-F169 AromaticContact CD2-CD2 3.37Å; Y23-F169 HydrophobicContact CD2-CD2 3.37Å; Y23-F169 HydrophobicContact CD2-CE2 4.02Å; Y23-F169 HydrophobicContact CD2-CG 4.2Å; Y23-F169 HydrophobicContact CE1-CB 4.11Å; Y23-F169 AromaticContact CE1-CD2 3.95Å; Y23-F169 HydrophobicContact CE1-CD2 3.95Å; Y23-F169 AromaticContact CE1-CG 3.96Å; Y23-F169 HydrophobicContact CE1-CG 3.96Å; Y23-F169 HydrophobicContact CE2-CB 3.87Å; Y23-F169 AromaticContact CE2-CD2 3.71Å; Y23-F169 HydrophobicContact CE2-CD2 3.71Å; Y23-F169 HydrophobicContact CE2-CG 4.11Å; Y23-F169 AromaticContact CG-CD2 3.31Å; Y23-F169 HydrophobicContact CG-CD2 3.31Å; Y23-F169 AromaticContact CG-CE2 3.55Å; Y23-F169 HydrophobicContact CG-CE2 3.55Å; Y23-F169 HydrophobicContact CG-CG 4.16Å; Y23-F169 AromaticContact CZ-CD2 3.99Å; Y23-F169 AromaticContact CZ-CG 3.98Å; L53-F169 HydrophobicContact CD2-CB 3.8Å; L53-F169 HydrophobicContact CD2-CD1 3.96Å; L53-F169 HydrophobicContact CD2-CG 4.16Å; L55-F169 HydrophobicContact CD2-CD1 3.6Å; L55-F169 HydrophobicContact CD2-CE1 3.44Å; L55-F169 VanDerWaalsContact CD2-CE1 3.44Å; L55-F169 HydrophobicContact CD2-CZ 4.31Å; I165-F169 HydrophobicContact CG2-CD2 4.28Å; I165-F169 HydrophobicContact CG2-CE2 4.02Å; I165-F169 VanDerWaalsContact O-CD2 3.23Å; I165-F169 WeakPolarHBondContact O-CD2 3.48Å; I165-F169 PolarHBondContact O-N 2.9Å; K166-F169 PolarHBondContact O-N 3.23Å; E167-F169 VanDerWaalsContact C-N 3.35Å; E167-F169 PolarHBondContact O-N 2.87Å; F169-G172 PolarHBondContact O-N 2.96Å; F169-V173 WeakPolarHBondContact O-CG2 3.25Å; F169-V173 PolarHBondContact O-N 2.86Å
170	A	96	Very high	92.6	Very high	16 Å²	16	54.8 Å²	54.8	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-44.5	172.5	0	0	0	0	0	111.4	V46 K166 E167 G172 V173 R174	V46-A170 HydrophobicContact CG2-CB 4.22Å; K166-A170 VanDerWaalsContact O-CB 3.27Å; K166-A170 WeakPolarHBondContact O-CB 3.49Å; K166-A170 PolarHBondContact O-N 3.39Å; E167-A170 PolarHBondContact O-N 3.32Å; A170-G172 VanDerWaalsContact C-N 3.31Å; A170-G172 PolarHBondContact O-N 3.2Å; A170-V173 PolarHBondContact O-N 2.93Å; A170-R174 WeakPolarHBondContact O-CG 3.36Å; A170-R174 PolarHBondContact O-N 3.22Å
171	E	96.3	Very high	90.8	Very high	35 Å²	35	56 Å²	56	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-32.9	176	-67.9	-65.6	125	0	0	112.1	L111 K153 L155 E167 R174 A175	L111-E171 HydrophobicContact CD1-CB 4.27Å; K153-E171 HydrophobicContact CD-CG 4.06Å; K153-E171 WeakPolarHBondContact CD-OE2 3.13Å; K153-E171 IonicContact NZ-OE1 2.73Å; K153-E171 IonicContact NZ-OE2 3.24Å; K153-E171 PolarHBondContact NZ-OE2 2.91Å; L155-E171 HydrophobicContact CD1-CB 3.84Å; L155-E171 HydrophobicContact CD1-CG 3.89Å; E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 WeakPolarHBondContact O-CG 3.41Å; E167-E171 PolarHBondContact O-N 2.89Å; E171-R174 PolarHBondContact O-N 3.29Å; E171-R174 IonicContact OE1-CZ 3.61Å; E171-R174 IonicContact OE1-NH1 3.91Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; E171-A175 WeakPolarHBondContact O-CB 3.34Å; E171-A175 PolarHBondContact O-N 3.41Å
172	G	94.8	Very high	89	Confident	2 Å²	2	57 Å²	57	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-41.6	175.4	0	0	0	0	0	112	L111 V168 F169 A170 A175 F176	L111-G172 VanDerWaalsContact CD1-CA 3.49Å; V168-G172 PolarHBondContact O-N 2.84Å; V168-G172 VanDerWaalsContact O-N 3.09Å; F169-G172 PolarHBondContact O-N 2.96Å; A170-G172 VanDerWaalsContact C-N 3.31Å; A170-G172 PolarHBondContact O-N 3.2Å; G172-A175 PolarHBondContact O-N 2.88Å; G172-F176 PolarHBondContact O-N 3.16Å
173	V	95	Very high	86.9	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-46.3	172.7	171.6	0	0	0	0	110.9	I4 V44 V46 I51 L53 F169 A170 A175 F176 L177	I4-V173 HydrophobicContact CD1-CB 4.19Å; I4-V173 HydrophobicContact CD1-CG1 3.85Å; I4-V173 HydrophobicContact CD1-CG2 4.16Å; V44-V173 HydrophobicContact CG1-CG2 3.72Å; V46-V173 HydrophobicContact CB-CB 4.4Å; V46-V173 HydrophobicContact CB-CG1 3.76Å; V46-V173 HydrophobicContact CG1-CG1 4.09Å; V46-V173 HydrophobicContact CG2-CB 3.92Å; V46-V173 HydrophobicContact CG2-CG1 3.74Å; V46-V173 HydrophobicContact CG2-CG2 4.38Å; I51-V173 HydrophobicContact CG1-CG1 4.01Å; L53-V173 HydrophobicContact CD1-CG2 4.17Å; L53-V173 HydrophobicContact CD2-CG2 4.38Å; F169-V173 WeakPolarHBondContact O-CG2 3.25Å; F169-V173 PolarHBondContact O-N 2.86Å; A170-V173 PolarHBondContact O-N 2.93Å; V173-A175 VanDerWaalsContact C-N 3.32Å; V173-A175 PolarHBondContact O-N 2.88Å; V173-F176 PolarHBondContact O-N 2.7Å; V173-L177 HydrophobicContact CG1-CD1 3.67Å; V173-L177 HydrophobicContact CG1-CG 4.13Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 2.95Å
174	R	94.9	Very high	84.5	Confident	82 Å²	82	60.6 Å²	60.6	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-41.1	177.1	-72.2	-173.2	-174.7	108.9	7.1	112.4	V46 D47 A170 E171 F176 L177 N178	V46-R174 HydrophobicContact CG1-CG 3.44Å; V46-R174 VanDerWaalsContact CG1-CG 3.44Å; D47-R174 IonicContact OD1-CZ 2.76Å; D47-R174 IonicContact OD1-NE 2.89Å; D47-R174 PolarHBondContact OD1-NE 3.43Å; D47-R174 VanDerWaalsContact OD1-NE 3.12Å; D47-R174 IonicContact OD1-NH2 2.64Å; D47-R174 PolarHBondContact OD1-NH2 3.01Å; D47-R174 IonicContact OD2-NE 3.12Å; A170-R174 WeakPolarHBondContact O-CG 3.36Å; A170-R174 PolarHBondContact O-N 3.22Å; E171-R174 PolarHBondContact O-N 3.29Å; E171-R174 IonicContact OE1-CZ 3.61Å; E171-R174 IonicContact OE1-NH1 3.91Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; R174-F176 PolarHBondContact O-N 2.87Å; R174-L177 PolarHBondContact O-N 3.05Å; R174-N178 WeakPolarHBondContact O-CB 3.35Å; R174-N178 PolarHBondContact O-N 3.32Å
175	A	91.1	Very high	82.2	Confident	10 Å²	10	69.6 Å²	69.6	8%	0.083	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-34.8	179.4	0	0	0	0	0	112.3	P109 I152 E171 G172 V173	P109-A175 HydrophobicContact CB-CB 4.3Å; I152-A175 HydrophobicContact CG1-CB 4.35Å; I152-A175 HydrophobicContact CG2-CB 4.07Å; E171-A175 WeakPolarHBondContact O-CB 3.34Å; E171-A175 PolarHBondContact O-N 3.41Å; G172-A175 PolarHBondContact O-N 2.88Å; V173-A175 VanDerWaalsContact C-N 3.32Å; V173-A175 PolarHBondContact O-N 2.88Å
176	F	88.6	Confident	79.7	Confident	66 Å²	66	78.1 Å²	78.1	29%	0.289	41%	0.413	S	S	.	.	H	α-helix	trans	-80.7	-41	175.2	179	-104.6	0	0	0	113.1	I4 N76 G172 V173 R174	I4-F176 HydrophobicContact CD1-CB 4.13Å; I4-F176 HydrophobicContact CD1-CD1 3.48Å; I4-F176 VanDerWaalsContact CD1-CD1 3.48Å; I4-F176 HydrophobicContact CD1-CE1 4.3Å; I4-F176 HydrophobicContact CD1-CG 4.16Å; I4-F176 HydrophobicContact CG1-CD1 3.64Å; I4-F176 HydrophobicContact CG1-CE1 4.02Å; I4-F176 HydrophobicContact CG1-CG 4.4Å; N76-F176 HydrophobicContact CB-CD2 3.6Å; N76-F176 HydrophobicContact CB-CE2 3.8Å; N76-F176 HydrophobicContact CB-CG 4.04Å; N76-F176 HydrophobicContact CB-CZ 4.37Å; N76-F176 WeakPolarHBondContact ND2-CE2 3.21Å; N76-F176 WeakPolarHBondContact ND2-CZ 3.42Å; G172-F176 PolarHBondContact O-N 3.16Å; V173-F176 PolarHBondContact O-N 2.7Å; R174-F176 PolarHBondContact O-N 2.87Å
177	L	88.8	Confident	77.5	Confident	24 Å²	24	77 Å²	77	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-70.4	-33.1	-178.6	-68.9	-179.2	0	0	0	113.1	I51 V173 R174 P179	I51-L177 HydrophobicContact CD1-CD2 4.44Å; V173-L177 HydrophobicContact CG1-CD1 3.67Å; V173-L177 HydrophobicContact CG1-CG 4.13Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 2.95Å; R174-L177 PolarHBondContact O-N 3.05Å; L177-P179 VanDerWaalsContact C-CD 3.47Å; L177-P179 WeakPolarHBondContact O-CD 3.49Å
178	N	86.8	Confident	75.3	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	43%	0.434	S	S	.	.	S	Bend	trans	-124	70	-176.8	-58.8	-42.8	0	0	0	109.7	R174 Q180	R174-N178 WeakPolarHBondContact O-CB 3.35Å; R174-N178 PolarHBondContact O-N 3.32Å; N178-Q180 PolarHBondContact O-N 3.14Å
179	P	75.8	Confident	73.6	Confident	99 Å²	99	82.8 Å²	82.8	64%	0.643	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-61.9	122.5	-178.9	25.1	-32.3	0	0	0	109.7	L177	L177-P179 VanDerWaalsContact C-CD 3.47Å; L177-P179 WeakPolarHBondContact O-CD 3.49Å
180	Q	67.3	Low	71.6	Confident	138 Å²	138	90.4 Å²	90.4	65%	0.645	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-65.9	136.7	171.8	-66	-66.4	-28.4	0	0	108.6	N178 V182	N178-Q180 PolarHBondContact O-N 3.14Å; Q180-V182 PolarHBondContact O-N 3.21Å
181	P	58.5	Low	69.7	Low	117 Å²	117	100.7 Å²	100.7	76%	0.76	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-59.1	117.3	175.8	22.5	-31.2	0	0	0	109.3	A183	P181-A183 PolarHBondContact O-N 3.19Å
182	V	57.8	Low	68.3	Low	125 Å²	125	104 Å²	104	76%	0.758	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.6	175.3	-175.9	0	0	0	0	107.3	Q180 T184	Q180-V182 PolarHBondContact O-N 3.21Å; V182-T184 PolarHBondContact O-N 2.92Å
183	A	53.8	Low	66.9	Low	93 Å²	93	109.3 Å²	109.3	77%	0.769	61%	0.605	S	S	*	*			trans	-62.3	100.2	174.1	0	0	0	0	0	108.7	P181 K185	P181-A183 PolarHBondContact O-N 3.19Å; A183-K185 PolarHBondContact O-N 2.79Å; A183-K185 VanDerWaalsContact O-N 3.16Å
184	T	46.2	Very low	65.4	Low	123 Å²	123	115.4 Å²	115.4	76%	0.755	64%	0.639	S	S	*	*			trans	-65.9	115	172	46	0	0	0	0	107.7	V182 K186	V182-T184 PolarHBondContact O-N 2.92Å; T184-K186 PolarHBondContact O-N 3.46Å
185	K	50.7	Low	63.6	Low	202 Å²	202	117.4 Å²	117.4	88%	0.878	66%	0.658	S	S	*	*			trans	-60.9	105.6	167	-74.5	-175.1	178.7	178.8	0	106.7	A183	A183-K185 PolarHBondContact O-N 2.79Å; A183-K185 VanDerWaalsContact O-N 3.16Å
186	K	43.9	Very low	61.9	Low	181 Å²	181	124.1 Å²	124.1	79%	0.787	69%	0.694	S	S	*	*			trans	-56.3	135	168	-70.8	-174.8	177.6	-178.5	0	107.4	T184 C188	T184-K186 PolarHBondContact O-N 3.46Å; K186-C188 PolarHBondContact O-N 2.85Å
187	P	49.4	Very low	60.1	Low	113 Å²	113	127.9 Å²	127.9	73%	0.734	72%	0.721	S	S	*	*			trans	-59.1	118	171.3	24.3	-30.3	0	0	0	107.3	V189	P187-V189 VanDerWaalsContact C-N 3.31Å; P187-V189 PolarHBondContact O-N 3Å
188	C	52.2	Low	58.1	Low	116 Å²	116	135.4 Å²	135.4	78%	0.784	76%	0.763	S	S	*	*			trans	-69.7	96.3	171.6	-160.1	0	0	0	0	106.1	K186 L190	K186-C188 PolarHBondContact O-N 2.85Å; C188-L190 PolarHBondContact O-N 3.01Å
189	V	61.1	Low	55.9	Low	107 Å²	107	139.1 Å²	139.1	65%	0.648	79%	0.786	S	S	*	*			trans	-77.7	102	170.3	-171.8	0	0	0	0	105.4	P187 L191	P187-V189 VanDerWaalsContact C-N 3.31Å; P187-V189 PolarHBondContact O-N 3Å; V189-L191 HydrophobicContact CG1-CD2 4.31Å; V189-L191 HydrophobicContact CG1-CG 4.27Å; V189-L191 PolarHBondContact O-N 3.49Å; V189-L191 VanDerWaalsContact O-N 3.15Å
190	L	55.7	Low	54.2	Low	163 Å²	163	142.4 Å²	142.4	85%	0.853	80%	0.798	S	S	*	*			trans	-67.2	106.3	162.9	-70.3	166.9	0	0	0	106	C188	C188-L190 PolarHBondContact O-N 3.01Å
191	L	54.3	Low	53	Low	231 Å²	231	142.8 Å²	142.8	100%	1.209	81%	0.812	S	S	*	*			trans	-85.6	0	165.6	-73.5	170.4	0	0	0	109.2	V189	V189-L191 HydrophobicContact CG1-CD2 4.31Å; V189-L191 HydrophobicContact CG1-CG 4.27Å; V189-L191 PolarHBondContact O-N 3.49Å; V189-L191 VanDerWaalsContact O-N 3.15Å

Retrieved 191 of 191 residues in 1011 ms (Link to these results)

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