A0A087YKG9_POEFO Loading...

AP complex subunit sigma

Component of the adaptor protein complex 4 (AP-4). Adaptor protein complexes are vesicle coat components involved both in vesicle formation and cargo selection. They control the vesicular transport of proteins in different trafficking pathways. AP-4 forms a non clathrin-associated coat on vesicles departing the trans-Golgi network (TGN) and may be involved in the targeting of proteins from the trans-Golgi network (TGN) to the endosomal-lysosomal system. It is also involved in protein sorting to the basolateral membrane in epithelial cells and the proper asymmetric localization of somatodendritic proteins in neurons. AP-4 is involved in the recognition and binding of tyrosine-based sorting signals found in the cytoplasmic part of cargos, but may also recognize other types of sorting signal.

AlphaFold DB , UniProt , Accession A0A087YKG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 144 aa.

						>A0A087YKG9_POEFO|A0A087YKG9
MIKFVIMVNQQGQTRLSKYYEPVELSKRAALEAVAVRCCLSRGKHQCSFVEYKDFKLVYRQYAALYVVVGVSDSENELSIYELIQNFVEVLDKYFSRVSELDIMFNLDSVHIILDEMIQNGHIVETNKSRILAPLTAIDKMADG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.1	Very high	96.2	Very high	74 Å²	74	34.7 Å²	34.7	37%	0.365	16%	0.164	S	C	.	.				0	153.4	0	62.4	178	54	0	0	111.3	E21 V71 S72 E75	M1-E21 HydrophobicContact SD-CG 4.28Å; M1-V71 WeakPolarHBondContact O-CA 3.48Å; M1-S72 PolarHBondContact N-OG 2.88Å; M1-S72 PolarHBondContact O-N 3.45Å; M1-E75 WeakPolarHBondContact CA-OE1 3.13Å; M1-E75 PolarHBondContact N-OE1 3.16Å
2	I	98.1	Very high	95.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.7	169.2	-60.8	168	0	0	0	108.2	V5 Y20 V69 V71 I80 L83 I118 G121 I123	I2-V5 HydrophobicContact CG2-CG2 4.11Å; I2-Y20 HydrophobicContact CB-CD2 4.47Å; I2-Y20 HydrophobicContact CG2-CD2 3.82Å; I2-Y20 HydrophobicContact CG2-CE2 3.93Å; I2-Y20 WeakPolarHBondContact O-CB 3.17Å; I2-V69 HydrophobicContact CG1-CG1 4.48Å; I2-V69 HydrophobicContact CG2-CG1 3.71Å; I2-V71 HydrophobicContact CG1-CG1 4.15Å; I2-I80 HydrophobicContact CD1-CD1 3.97Å; I2-I80 HydrophobicContact CG1-CD1 3.81Å; I2-L83 HydrophobicContact CD1-CD2 3.61Å; I2-I118 HydrophobicContact CD1-CD1 4.03Å; I2-I118 HydrophobicContact CD1-CG1 4.3Å; I2-I118 HydrophobicContact CD1-CG2 4.01Å; I2-G121 WeakPolarHBondContact CB-O 3.44Å; I2-G121 PolarHBondContact N-O 3.26Å; I2-G121 WeakPolarHBondContact O-CA 3.31Å; I2-I123 HydrophobicContact CD1-CG1 4.04Å
3	K	97	Very high	95.7	Very high	24 Å²	24	38 Å²	38	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-42.8	-179.9	-58.3	-166.8	164.5	-157.2	0	111.7	Y20 E21 D54 F55 G70	K3-Y20 PolarHBondContact O-N 3.08Å; K3-E21 HydrophobicContact CB-CG 4.42Å; K3-E21 WeakPolarHBondContact CD-OE2 3.43Å; K3-E21 WeakPolarHBondContact CE-OE2 3.32Å; K3-E21 HydrophobicContact CG-CG 4.39Å; K3-E21 WeakPolarHBondContact CG-OE2 3.49Å; K3-E21 IonicContact NZ-OE2 3.17Å; K3-E21 PolarHBondContact O-N 2.55Å; K3-D54 IonicContact NZ-OD2 2.84Å; K3-D54 PolarHBondContact NZ-OD2 2.89Å; K3-D54 VanDerWaalsContact NZ-OD2 3.1Å; K3-F55 HydrophobicContact CD-CB 3.94Å; K3-F55 HydrophobicContact CD-CG 4.22Å; K3-G70 PolarHBondContact N-O 3.05Å
4	F	97.7	Very high	95.7	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.2	179.1	57.9	-98.2	0	0	0	111.8	I6 K18 Y19 L31 A35 F55 L57 V69 G70	F4-I6 HydrophobicContact CD2-CD1 3.49Å; F4-I6 VanDerWaalsContact CD2-CD1 3.49Å; F4-I6 HydrophobicContact CD2-CG1 3.79Å; F4-I6 HydrophobicContact CE2-CD1 3.57Å; F4-I6 HydrophobicContact CE2-CG1 4.3Å; F4-I6 HydrophobicContact CG-CD1 4.42Å; F4-K18 CarbonylContact C-O 3.28Å; F4-K18 WeakPolarHBondContact CA-O 3.1Å; F4-K18 VanDerWaalsContact CB-O 3.28Å; F4-K18 WeakPolarHBondContact CB-O 3.49Å; F4-Y19 HydrophobicContact CB-CD1 3.88Å; F4-Y19 HydrophobicContact CB-CE1 4.3Å; F4-Y19 HydrophobicContact CB-CG 4.49Å; F4-L31 HydrophobicContact CD1-CD2 4.09Å; F4-L31 HydrophobicContact CE1-CD1 4.11Å; F4-L31 HydrophobicContact CE1-CD2 4.03Å; F4-L31 HydrophobicContact CE1-CG 4.26Å; F4-L31 HydrophobicContact CZ-CD1 4.44Å; F4-A35 HydrophobicContact CE2-CB 4.32Å; F4-A35 HydrophobicContact CZ-CB 4.31Å; F4-F55 HydrophobicContact CE1-CD2 4.48Å; F4-F55 AromaticContact CE1-CE2 3.81Å; F4-F55 HydrophobicContact CE1-CE2 3.81Å; F4-F55 HydrophobicContact CE1-CZ 4.04Å; F4-F55 AromaticContact CZ-CE2 3.74Å; F4-F55 HydrophobicContact CZ-CE2 3.74Å; F4-F55 HydrophobicContact CZ-CZ 4.19Å; F4-L57 HydrophobicContact CE2-CD2 4.12Å; F4-L57 HydrophobicContact CZ-CD2 3.77Å; F4-V69 WeakPolarHBondContact O-CA 3.44Å; F4-G70 PolarHBondContact N-O 2.84Å; F4-G70 PolarHBondContact O-N 3.29Å
5	V	98.4	Very high	95.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129	169.7	176.8	0	0	0	0	107.8	I2 S17 K18 Y20 V67 V69 L114 I118	I2-V5 HydrophobicContact CG2-CG2 4.11Å; V5-S17 WeakPolarHBondContact O-CA 3.2Å; V5-K18 PolarHBondContact N-O 3.34Å; V5-K18 PolarHBondContact O-N 2.98Å; V5-Y20 HydrophobicContact CG2-CE2 4.04Å; V5-V67 HydrophobicContact CG1-CG1 4.36Å; V5-V69 HydrophobicContact CG1-CG2 4.46Å; V5-V69 HydrophobicContact CG2-CG1 4.17Å; V5-V69 HydrophobicContact CG2-CG2 4.18Å; V5-L114 HydrophobicContact CB-CD2 4.15Å; V5-L114 HydrophobicContact CG1-CD1 4.32Å; V5-L114 HydrophobicContact CG1-CD2 4.23Å; V5-L114 HydrophobicContact CG2-CD1 4.47Å; V5-I118 HydrophobicContact CG2-CD1 3.96Å
6	I	97.9	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.3	178.9	-59.2	161	0	0	0	108.4	F4 V8 T14 L16 E32 A35 V67 V68	F4-I6 HydrophobicContact CD2-CD1 3.49Å; F4-I6 VanDerWaalsContact CD2-CD1 3.49Å; F4-I6 HydrophobicContact CD2-CG1 3.79Å; F4-I6 HydrophobicContact CE2-CD1 3.57Å; F4-I6 HydrophobicContact CE2-CG1 4.3Å; F4-I6 HydrophobicContact CG-CD1 4.42Å; I6-V8 HydrophobicContact CG2-CG1 3.6Å; I6-T14 HydrophobicContact CG2-CG2 4.11Å; I6-L16 CarbonylContact C-O 3.49Å; I6-L16 WeakPolarHBondContact CA-O 3.5Å; I6-E32 HydrophobicContact CD1-CB 4.28Å; I6-E32 HydrophobicContact CD1-CG 3.78Å; I6-E32 HydrophobicContact CG1-CG 4.4Å; I6-A35 HydrophobicContact CD1-CB 4.5Å; I6-V67 WeakPolarHBondContact O-CA 3.37Å; I6-V68 PolarHBondContact N-O 2.9Å; I6-V68 PolarHBondContact O-N 3.36Å
7	M	98	Very high	95.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.4	167.2	-169.3	-175.7	-68.9	0	0	109.4	R15 L16 L65 Y66 V67 F87 L91 I103	M7-R15 PolarHBondContact O-N 3.29Å; M7-L16 HydrophobicContact CB-CB 3.76Å; M7-L16 PolarHBondContact N-O 3.12Å; M7-L16 PolarHBondContact O-N 3.21Å; M7-L65 HydrophobicContact CG-CD2 4.32Å; M7-L65 HydrophobicContact SD-CD1 3.99Å; M7-L65 HydrophobicContact SD-CD2 4.34Å; M7-Y66 CarbonylContact C-O 3.54Å; M7-Y66 VanDerWaalsContact CA-O 3.3Å; M7-Y66 WeakPolarHBondContact CA-O 3.23Å; M7-V67 HydrophobicContact CE-CG2 3.98Å; M7-V67 HydrophobicContact CG-CG2 4.26Å; M7-F87 HydrophobicContact CE-CE1 3.71Å; M7-F87 HydrophobicContact CE-CZ 4.33Å; M7-L91 HydrophobicContact CE-CD1 4.03Å; M7-I103 HydrophobicContact CE-CD1 3.97Å; M7-I103 HydrophobicContact SD-CD1 3.46Å; M7-I103 WeakPolarHBondContact SD-CD1 3.5Å; M7-I103 HydrophobicContact SD-CG2 4.07Å
8	V	97.2	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.7	179.3	-57.2	0	0	0	0	111.6	I6 Q13 V36 L40 L65 Y66	I6-V8 HydrophobicContact CG2-CG1 3.6Å; V8-Q13 VanDerWaalsContact CA-O 3.24Å; V8-Q13 WeakPolarHBondContact CA-O 3.25Å; V8-V36 HydrophobicContact CB-CG2 4.28Å; V8-V36 HydrophobicContact CG1-CG2 3.43Å; V8-V36 VanDerWaalsContact CG1-CG2 3.43Å; V8-V36 HydrophobicContact CG2-CG1 4.3Å; V8-V36 HydrophobicContact CG2-CG2 4.11Å; V8-L40 HydrophobicContact CG2-CD1 3.99Å; V8-L65 CarbonylContact O-C 3.56Å; V8-L65 WeakPolarHBondContact O-CA 3.18Å; V8-Y66 PolarHBondContact N-O 3.07Å; V8-Y66 PolarHBondContact O-N 3.19Å
9	N	94.9	Very high	96.1	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	177	169.9	73.8	4.5	0	0	0	112.3	Q11 G12 Q13 R15 A64 L65 E100	N9-Q11 PolarHBondContact O-N 3.11Å; N9-Q11 VanDerWaalsContact O-N 3.13Å; N9-Q11 WeakPolarHBondContact OD1-CA 3.19Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.39Å; N9-Q11 PolarHBondContact OD1-N 2.87Å; N9-G12 PolarHBondContact O-N 3.5Å; N9-G12 PolarHBondContact OD1-N 2.96Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; N9-Q13 PolarHBondContact N-O 2.95Å; N9-Q13 PolarHBondContact ND2-OE1 3.26Å; N9-Q13 VanDerWaalsContact ND2-OE1 3.07Å; N9-Q13 WeakPolarHBondContact OD1-CB 3.28Å; N9-Q13 PolarHBondContact OD1-N 3.07Å; N9-R15 PolarHBondContact ND2-NH2 3.1Å; N9-A64 CarbonylContact C-O 3.56Å; N9-A64 WeakPolarHBondContact CA-O 3.4Å; N9-L65 HydrophobicContact CB-CD2 4.37Å; N9-E100 WeakPolarHBondContact CB-OE1 3.36Å; N9-E100 PolarHBondContact ND2-OE1 3.23Å
10	Q	91.7	Very high	96.1	Very high	112 Å²	112	37.8 Å²	37.8	52%	0.523	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21	176.5	-80.5	178.3	4	0	0	114.7	G12 A63 A64 Y66	Q10-G12 VanDerWaalsContact C-N 3.3Å; Q10-A63 PolarHBondContact NE2-O 3.27Å; Q10-A64 HydrophobicContact CG-CB 4.48Å; Q10-A64 PolarHBondContact N-O 3.4Å; Q10-Y66 HydrophobicContact CG-CE2 3.94Å
11	Q	92.9	Very high	95.9	Very high	153 Å²	153	38.8 Å²	38.8	72%	0.715	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.3	176.3	-59.3	171.5	10.5	0	0	112.2	N9 Q13	N9-Q11 PolarHBondContact O-N 3.11Å; N9-Q11 VanDerWaalsContact O-N 3.13Å; N9-Q11 WeakPolarHBondContact OD1-CA 3.19Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.39Å; N9-Q11 PolarHBondContact OD1-N 2.87Å; Q11-Q13 HydrophobicContact CB-CG 4.33Å
12	G	92.3	Very high	95.8	Very high	23 Å²	23	41.9 Å²	41.9	24%	0.237	22%	0.217	C	C	.	.			trans	79.8	13.7	-177.1	0	0	0	0	0	114.3	N9 Q10	N9-G12 PolarHBondContact O-N 3.5Å; N9-G12 PolarHBondContact OD1-N 2.96Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; Q10-G12 VanDerWaalsContact C-N 3.3Å
13	Q	94.5	Very high	95.5	Very high	89 Å²	89	43.5 Å²	43.5	42%	0.416	23%	0.226	S	C	.	.			trans	-78.6	126.8	175.4	-59.8	178.2	-30.7	0	0	110.1	V8 N9 Q11	V8-Q13 VanDerWaalsContact CA-O 3.24Å; V8-Q13 WeakPolarHBondContact CA-O 3.25Å; N9-Q13 PolarHBondContact N-O 2.95Å; N9-Q13 PolarHBondContact ND2-OE1 3.26Å; N9-Q13 VanDerWaalsContact ND2-OE1 3.07Å; N9-Q13 WeakPolarHBondContact OD1-CB 3.28Å; N9-Q13 PolarHBondContact OD1-N 3.07Å; Q11-Q13 HydrophobicContact CB-CG 4.33Å
14	T	95.6	Very high	95.3	Very high	50 Å²	50	47.5 Å²	47.5	31%	0.307	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.1	177	-53.2	0	0	0	0	111.5	I6 L16 E32	I6-T14 HydrophobicContact CG2-CG2 4.11Å; T14-L16 WeakPolarHBondContact CG2-O 3.31Å; T14-E32 PolarHBondContact OG1-OE2 3.07Å
15	R	96.2	Very high	95	Very high	47 Å²	47	54 Å²	54	18%	0.177	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-34	173.3	-60.3	-52.4	-176.9	-137.7	5.1	112.3	M7 N9 L65 E100 M104 L107	M7-R15 PolarHBondContact O-N 3.29Å; N9-R15 PolarHBondContact ND2-NH2 3.1Å; R15-L65 HydrophobicContact CG-CD2 4.28Å; R15-E100 HydrophobicContact CG-CG 4.44Å; R15-E100 IonicContact CZ-OE1 2.77Å; R15-E100 IonicContact NE-OE1 3.39Å; R15-E100 PolarHBondContact NE-OE1 3.44Å; R15-E100 IonicContact NH2-OE1 2.71Å; R15-E100 PolarHBondContact NH2-OE1 3.42Å; R15-M104 PolarHBondContact NE-SD 3.38Å; R15-L107 WeakPolarHBondContact O-CD2 3.46Å
16	L	97.1	Very high	94.8	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.8	177	-179.4	72.2	0	0	0	108.1	I6 M7 T14 F87 V110 H111 L114	I6-L16 CarbonylContact C-O 3.49Å; I6-L16 WeakPolarHBondContact CA-O 3.5Å; M7-L16 HydrophobicContact CB-CB 3.76Å; M7-L16 PolarHBondContact N-O 3.12Å; M7-L16 PolarHBondContact O-N 3.21Å; T14-L16 WeakPolarHBondContact CG2-O 3.31Å; L16-F87 HydrophobicContact CD2-CE1 4.24Å; L16-F87 HydrophobicContact CD2-CZ 3.88Å; L16-V110 HydrophobicContact CD1-CG1 3.99Å; L16-V110 HydrophobicContact CD2-CG1 3.75Å; L16-V110 HydrophobicContact CG-CG1 4.45Å; L16-H111 WeakPolarHBondContact CD1-CE1 3.45Å; L16-H111 WeakPolarHBondContact CD1-NE2 3.27Å; L16-L114 HydrophobicContact CD2-CD2 4.28Å
17	S	96.9	Very high	94.6	Very high	40 Å²	40	63.8 Å²	63.8	28%	0.28	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.1	163.4	62.4	0	0	0	0	111.5	V5 E32	V5-S17 WeakPolarHBondContact O-CA 3.2Å; S17-E32 WeakPolarHBondContact CB-OE1 3.46Å; S17-E32 PolarHBondContact OG-OE1 2.85Å
18	K	97.4	Very high	94.3	Very high	53 Å²	53	67.8 Å²	67.8	23%	0.23	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.8	175.6	-174	75	172.6	-154.1	0	108.6	F4 V5 Y20 L114 D115	F4-K18 CarbonylContact C-O 3.28Å; F4-K18 WeakPolarHBondContact CA-O 3.1Å; F4-K18 VanDerWaalsContact CB-O 3.28Å; F4-K18 WeakPolarHBondContact CB-O 3.49Å; V5-K18 PolarHBondContact N-O 3.34Å; V5-K18 PolarHBondContact O-N 2.98Å; K18-Y20 HydrophobicContact CG-CE1 4.11Å; K18-Y20 HydrophobicContact CG-CE2 4.07Å; K18-L114 HydrophobicContact CB-CD2 3.61Å; K18-L114 HydrophobicContact CG-CD2 3.96Å; K18-D115 WeakPolarHBondContact CE-OD1 3.47Å; K18-D115 IonicContact NZ-OD1 3.1Å; K18-D115 PolarHBondContact NZ-OD1 2.85Å; K18-D115 IonicContact NZ-OD2 3.61Å; K18-D115 PolarHBondContact NZ-OD2 3.1Å
19	Y	97.3	Very high	94.1	Very high	30 Å²	30	71.2 Å²	71.2	12%	0.118	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.3	-177.8	-60.8	-92.4	0	0	0	108.7	F4 V23 R28 L31 E32	F4-Y19 HydrophobicContact CB-CD1 3.88Å; F4-Y19 HydrophobicContact CB-CE1 4.3Å; F4-Y19 HydrophobicContact CB-CG 4.49Å; Y19-V23 HydrophobicContact CD1-CB 4.27Å; Y19-V23 HydrophobicContact CD1-CG2 3.96Å; Y19-R28 HydrophobicContact CE1-CG 4.14Å; Y19-R28 HydrophobicContact CE2-CG 4.23Å; Y19-L31 HydrophobicContact CE1-CD2 4.06Å; Y19-E32 WeakPolarHBondContact OH-CG 3.2Å; Y19-E32 PolarHBondContact OH-OE1 3.18Å
20	Y	96.8	Very high	94.1	Very high	39 Å²	39	73.8 Å²	73.8	15%	0.153	40%	0.4	C	S	.	.	S	Bend	trans	-102.8	-19.8	177.6	-59.9	-78.2	0	0	0	112.1	I2 K3 V5 K18 I118	I2-Y20 HydrophobicContact CB-CD2 4.47Å; I2-Y20 HydrophobicContact CG2-CD2 3.82Å; I2-Y20 HydrophobicContact CG2-CE2 3.93Å; I2-Y20 WeakPolarHBondContact O-CB 3.17Å; K3-Y20 PolarHBondContact O-N 3.08Å; V5-Y20 HydrophobicContact CG2-CE2 4.04Å; K18-Y20 HydrophobicContact CG-CE1 4.11Å; K18-Y20 HydrophobicContact CG-CE2 4.07Å; Y20-I118 HydrophobicContact CD1-CG2 4.25Å; Y20-I118 HydrophobicContact CD2-CG2 4.43Å; Y20-I118 HydrophobicContact CE1-CB 4.15Å; Y20-I118 HydrophobicContact CE1-CG2 3.63Å; Y20-I118 HydrophobicContact CE2-CG2 3.84Å; Y20-I118 VanDerWaalsContact CZ-CG2 3.4Å; Y20-I118 WeakPolarHBondContact OH-CB 3.32Å
21	E	92.6	Very high	94.2	Very high	60 Å²	60	70.1 Å²	70.1	28%	0.28	38%	0.384	S	S	.	.	S	Bend	trans	-98.3	145.3	166.5	-70.5	-176.9	164.7	0	0	110.4	M1 K3 V23	M1-E21 HydrophobicContact SD-CG 4.28Å; K3-E21 HydrophobicContact CB-CG 4.42Å; K3-E21 WeakPolarHBondContact CD-OE2 3.43Å; K3-E21 WeakPolarHBondContact CE-OE2 3.32Å; K3-E21 HydrophobicContact CG-CG 4.39Å; K3-E21 WeakPolarHBondContact CG-OE2 3.49Å; K3-E21 IonicContact NZ-OE2 3.17Å; K3-E21 PolarHBondContact O-N 2.55Å; E21-V23 PolarHBondContact O-N 3.03Å
22	P	91.4	Very high	94.3	Very high	139 Å²	139	64.1 Å²	64.1	90%	0.903	36%	0.356	S	S	*	.			trans	-59.3	113.4	172.6	-23.7	34.1	0	0	0	111.5
23	V	91.1	Very high	94.3	Very high	34 Å²	34	65.6 Å²	65.6	21%	0.206	37%	0.366	C	S	.	.			trans	-120	123.6	171.9	-176	0	0	0	0	108.9	Y19 E21 L25 K27 R28 L31	Y19-V23 HydrophobicContact CD1-CB 4.27Å; Y19-V23 HydrophobicContact CD1-CG2 3.96Å; E21-V23 PolarHBondContact O-N 3.03Å; V23-L25 PolarHBondContact O-N 3.43Å; V23-K27 HydrophobicContact CG1-CB 4.21Å; V23-R28 HydrophobicContact CB-CG 4.17Å; V23-R28 HydrophobicContact CG1-CG 3.77Å; V23-R28 PolarHBondContact O-NE 3.38Å; V23-L31 HydrophobicContact CG1-CD2 4.3Å; V23-L31 HydrophobicContact CG2-CD2 4.27Å
24	E	93.6	Very high	94.3	Very high	109 Å²	109	62.4 Å²	62.4	51%	0.509	35%	0.352	S	S	.	.			trans	-52.5	134.7	172.9	-70.7	170	-151.5	0	0	110.7	S26 K27 R28	E24-S26 PolarHBondContact O-N 3.36Å; E24-S26 VanDerWaalsContact O-N 3.16Å; E24-K27 HydrophobicContact CB-CB 4.41Å; E24-K27 HydrophobicContact CB-CD 4.18Å; E24-K27 HydrophobicContact CB-CG 4.29Å; E24-K27 PolarHBondContact O-N 2.85Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 2.86Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 WeakPolarHBondContact OE2-CE 3.41Å; E24-K27 IonicContact OE2-NZ 2.88Å; E24-K27 PolarHBondContact OE2-NZ 2.97Å; E24-R28 PolarHBondContact O-N 2.75Å
25	L	91.3	Very high	94.2	Very high	140 Å²	140	60.2 Å²	60.2	73%	0.733	34%	0.339	S	S	*	.	H	α-helix	trans	-54.4	-38.8	-177.3	-72.2	168.4	0	0	0	112.8	V23 K27 R28	V23-L25 PolarHBondContact O-N 3.43Å; L25-K27 PolarHBondContact O-N 3.16Å; L25-R28 PolarHBondContact O-N 3.17Å
26	S	93.9	Very high	94.1	Very high	97 Å²	97	58.6 Å²	58.6	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-63.2	-25.8	177.3	55.5	0	0	0	0	113.8	E24	E24-S26 PolarHBondContact O-N 3.36Å; E24-S26 VanDerWaalsContact O-N 3.16Å
27	K	93.1	Very high	94	Very high	112 Å²	112	65.5 Å²	65.5	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-93.6	-18.4	-178	-67.9	176.2	178.3	148.8	0	113.1	V23 E24 L25 A30 L31	V23-K27 HydrophobicContact CG1-CB 4.21Å; E24-K27 HydrophobicContact CB-CB 4.41Å; E24-K27 HydrophobicContact CB-CD 4.18Å; E24-K27 HydrophobicContact CB-CG 4.29Å; E24-K27 PolarHBondContact O-N 2.85Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 2.86Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 WeakPolarHBondContact OE2-CE 3.41Å; E24-K27 IonicContact OE2-NZ 2.88Å; E24-K27 PolarHBondContact OE2-NZ 2.97Å; L25-K27 PolarHBondContact O-N 3.16Å; K27-A30 PolarHBondContact O-N 3.34Å; K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 PolarHBondContact O-N 2.89Å
28	R	93.4	Very high	93.8	Very high	86 Å²	86	65 Å²	65	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-52.1	-176.8	-71.6	-174.5	-172.9	-170.2	-1.4	112.6	Y19 V23 E24 L25 A30 L31 E32	Y19-R28 HydrophobicContact CE1-CG 4.14Å; Y19-R28 HydrophobicContact CE2-CG 4.23Å; V23-R28 HydrophobicContact CB-CG 4.17Å; V23-R28 HydrophobicContact CG1-CG 3.77Å; V23-R28 PolarHBondContact O-NE 3.38Å; E24-R28 PolarHBondContact O-N 2.75Å; L25-R28 PolarHBondContact O-N 3.17Å; R28-A30 VanDerWaalsContact C-N 3.27Å; R28-A30 PolarHBondContact O-N 3.27Å; R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 3.13Å; R28-L31 VanDerWaalsContact O-N 3.07Å; R28-E32 WeakPolarHBondContact O-CG 3.04Å; R28-E32 PolarHBondContact O-N 3.38Å
29	A	92.9	Very high	93.6	Very high	73 Å²	73	62.5 Å²	62.5	60%	0.603	35%	0.346	S	S	*	.	H	α-helix	trans	-58.6	-39.7	-179.7	0	0	0	0	0	112.5	A33	A29-A33 VanDerWaalsContact O-CB 3.25Å; A29-A33 WeakPolarHBondContact O-CB 3.34Å; A29-A33 PolarHBondContact O-N 3.5Å
30	A	93.7	Very high	93.4	Very high	62 Å²	62	63.1 Å²	63.1	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-41	176.5	0	0	0	0	0	112	K27 R28 V34	K27-A30 PolarHBondContact O-N 3.34Å; R28-A30 VanDerWaalsContact C-N 3.27Å; R28-A30 PolarHBondContact O-N 3.27Å; A30-V34 WeakPolarHBondContact O-CG2 3.19Å; A30-V34 PolarHBondContact O-N 2.97Å; A30-V34 VanDerWaalsContact O-N 3.1Å
31	L	93.8	Very high	93.2	Very high	35 Å²	35	65.7 Å²	65.7	18%	0.183	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-50.1	176	177.2	62.8	0	0	0	111.4	F4 Y19 V23 K27 R28 A33 V34 A35 F55	F4-L31 HydrophobicContact CD1-CD2 4.09Å; F4-L31 HydrophobicContact CE1-CD1 4.11Å; F4-L31 HydrophobicContact CE1-CD2 4.03Å; F4-L31 HydrophobicContact CE1-CG 4.26Å; F4-L31 HydrophobicContact CZ-CD1 4.44Å; Y19-L31 HydrophobicContact CE1-CD2 4.06Å; V23-L31 HydrophobicContact CG1-CD2 4.3Å; V23-L31 HydrophobicContact CG2-CD2 4.27Å; K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 PolarHBondContact O-N 2.89Å; R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 3.13Å; R28-L31 VanDerWaalsContact O-N 3.07Å; L31-A33 PolarHBondContact O-N 2.92Å; L31-V34 PolarHBondContact O-N 3.37Å; L31-A35 PolarHBondContact O-N 3.19Å; L31-F55 HydrophobicContact CD1-CE1 4.41Å; L31-F55 HydrophobicContact CD1-CZ 3.9Å
32	E	94.5	Very high	93.2	Very high	27 Å²	27	66.1 Å²	66.1	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-50.2	177.2	-65.4	-174.2	-173.3	0	0	110.7	I6 T14 S17 Y19 R28 V34 A35 V36	I6-E32 HydrophobicContact CD1-CB 4.28Å; I6-E32 HydrophobicContact CD1-CG 3.78Å; I6-E32 HydrophobicContact CG1-CG 4.4Å; T14-E32 PolarHBondContact OG1-OE2 3.07Å; S17-E32 WeakPolarHBondContact CB-OE1 3.46Å; S17-E32 PolarHBondContact OG-OE1 2.85Å; Y19-E32 WeakPolarHBondContact OH-CG 3.2Å; Y19-E32 PolarHBondContact OH-OE1 3.18Å; R28-E32 WeakPolarHBondContact O-CG 3.04Å; R28-E32 PolarHBondContact O-N 3.38Å; E32-V34 PolarHBondContact O-N 2.66Å; E32-A35 PolarHBondContact O-N 3.12Å; E32-V36 WeakPolarHBondContact O-CB 3.45Å; E32-V36 WeakPolarHBondContact O-CG2 3.44Å; E32-V36 PolarHBondContact O-N 3.27Å
33	A	94.1	Very high	93.1	Very high	54 Å²	54	61.4 Å²	61.4	45%	0.446	35%	0.35	S	S	.	.	H	α-helix	trans	-59	-35.3	-179.3	0	0	0	0	0	112.9	A29 L31 R37	A29-A33 VanDerWaalsContact O-CB 3.25Å; A29-A33 WeakPolarHBondContact O-CB 3.34Å; A29-A33 PolarHBondContact O-N 3.5Å; L31-A33 PolarHBondContact O-N 2.92Å; A33-R37 VanDerWaalsContact O-CB 3.23Å; A33-R37 WeakPolarHBondContact O-CB 3.14Å; A33-R37 PolarHBondContact O-N 3.17Å; A33-R37 VanDerWaalsContact O-N 3.12Å
34	V	93.4	Very high	92.8	Very high	22 Å²	22	68.9 Å²	68.9	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-73	-48.2	176	177.5	0	0	0	0	111.3	A30 L31 E32 V36 R37 C38 Y52	A30-V34 WeakPolarHBondContact O-CG2 3.19Å; A30-V34 PolarHBondContact O-N 2.97Å; A30-V34 VanDerWaalsContact O-N 3.1Å; L31-V34 PolarHBondContact O-N 3.37Å; E32-V34 PolarHBondContact O-N 2.66Å; V34-V36 VanDerWaalsContact C-N 3.33Å; V34-V36 PolarHBondContact O-N 3.27Å; V34-R37 PolarHBondContact O-N 2.82Å; V34-C38 WeakPolarHBondContact O-CB 3.43Å; V34-C38 PolarHBondContact O-N 2.95Å; V34-C38 PolarHBondContact O-SG 2.65Å; V34-C38 VanDerWaalsContact O-SG 3.38Å; V34-Y52 HydrophobicContact CG1-CD2 4.11Å; V34-Y52 HydrophobicContact CG1-CE1 4.23Å; V34-Y52 HydrophobicContact CG1-CE2 3.28Å; V34-Y52 WeakPolarHBondContact CG1-OH 3.49Å
35	A	94.6	Very high	92.7	Very high	4 Å²	4	73 Å²	73	3%	0.033	40%	0.399	C	S	.	.	H	α-helix	trans	-58.3	-47.1	179.3	0	0	0	0	0	111.4	F4 I6 L31 E32 C38 C39 L57 V68	F4-A35 HydrophobicContact CE2-CB 4.32Å; F4-A35 HydrophobicContact CZ-CB 4.31Å; I6-A35 HydrophobicContact CD1-CB 4.5Å; L31-A35 PolarHBondContact O-N 3.19Å; E32-A35 PolarHBondContact O-N 3.12Å; A35-C38 PolarHBondContact O-N 2.71Å; A35-C39 PolarHBondContact O-N 2.98Å; A35-C39 VanDerWaalsContact O-N 3.16Å; A35-C39 PolarHBondContact O-SG 3.01Å; A35-C39 VanDerWaalsContact O-SG 3.36Å; A35-L57 HydrophobicContact CB-CD1 4.26Å; A35-L57 HydrophobicContact CB-CD2 3.92Å; A35-V68 HydrophobicContact CB-CG1 4.38Å
36	V	93.8	Very high	92.8	Very high	13 Å²	13	71 Å²	71	8%	0.079	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-50	176.5	171.3	0	0	0	0	110.9	V8 E32 V34 C38 C39 L40	V8-V36 HydrophobicContact CB-CG2 4.28Å; V8-V36 HydrophobicContact CG1-CG2 3.43Å; V8-V36 VanDerWaalsContact CG1-CG2 3.43Å; V8-V36 HydrophobicContact CG2-CG1 4.3Å; V8-V36 HydrophobicContact CG2-CG2 4.11Å; E32-V36 WeakPolarHBondContact O-CB 3.45Å; E32-V36 WeakPolarHBondContact O-CG2 3.44Å; E32-V36 PolarHBondContact O-N 3.27Å; V34-V36 VanDerWaalsContact C-N 3.33Å; V34-V36 PolarHBondContact O-N 3.27Å; V36-C38 VanDerWaalsContact C-N 3.33Å; V36-C38 PolarHBondContact O-N 2.76Å; V36-C39 PolarHBondContact O-N 2.87Å; V36-L40 HydrophobicContact CG1-CD1 3.97Å; V36-L40 HydrophobicContact CG1-CD2 3.86Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 WeakPolarHBondContact O-CD1 3.45Å; V36-L40 PolarHBondContact O-N 2.87Å
37	R	94.3	Very high	92.9	Very high	146 Å²	146	69.6 Å²	69.6	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-59.4	-43.9	179.9	-176.5	178.8	64.4	-108.4	1.8	111.9	A33 V34 C39 S41	A33-R37 VanDerWaalsContact O-CB 3.23Å; A33-R37 WeakPolarHBondContact O-CB 3.14Å; A33-R37 PolarHBondContact O-N 3.17Å; A33-R37 VanDerWaalsContact O-N 3.12Å; V34-R37 PolarHBondContact O-N 2.82Å; R37-C39 VanDerWaalsContact C-N 3.27Å; R37-C39 PolarHBondContact O-N 3.02Å; R37-S41 WeakPolarHBondContact O-CB 3.21Å; R37-S41 PolarHBondContact O-N 3.5Å; R37-S41 PolarHBondContact O-OG 2.84Å; R37-S41 VanDerWaalsContact O-OG 3.12Å
38	C	93.8	Very high	93.1	Very high	29 Å²	29	65.6 Å²	65.6	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-33.4	178.9	-75.6	0	0	0	0	113.1	V34 A35 V36 R42 V50 L57	V34-C38 WeakPolarHBondContact O-CB 3.43Å; V34-C38 PolarHBondContact O-N 2.95Å; V34-C38 PolarHBondContact O-SG 2.65Å; V34-C38 VanDerWaalsContact O-SG 3.38Å; A35-C38 PolarHBondContact O-N 2.71Å; V36-C38 VanDerWaalsContact C-N 3.33Å; V36-C38 PolarHBondContact O-N 2.76Å; C38-R42 VanDerWaalsContact O-CD 3.22Å; C38-R42 WeakPolarHBondContact O-CD 3.43Å; C38-R42 VanDerWaalsContact O-CG 3.28Å; C38-R42 WeakPolarHBondContact O-CG 3.25Å; C38-V50 HydrophobicContact CB-CG1 4.49Å; C38-L57 HydrophobicContact CB-CD1 3.87Å
39	C	93.1	Very high	93.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-86.8	-44.8	-179.4	-65	0	0	0	0	112.7	A35 V36 R37 S41 R42 Y59 V68	A35-C39 PolarHBondContact O-N 2.98Å; A35-C39 VanDerWaalsContact O-N 3.16Å; A35-C39 PolarHBondContact O-SG 3.01Å; A35-C39 VanDerWaalsContact O-SG 3.36Å; V36-C39 PolarHBondContact O-N 2.87Å; R37-C39 VanDerWaalsContact C-N 3.27Å; R37-C39 PolarHBondContact O-N 3.02Å; C39-S41 PolarHBondContact O-N 2.86Å; C39-R42 WeakPolarHBondContact O-CB 3.35Å; C39-R42 PolarHBondContact O-N 2.85Å; C39-Y59 HydrophobicContact CB-CD1 3.99Å; C39-Y59 HydrophobicContact CB-CD2 4.01Å; C39-Y59 HydrophobicContact CB-CE1 4.43Å; C39-Y59 HydrophobicContact CB-CE2 4.46Å; C39-Y59 HydrophobicContact CB-CG 3.77Å; C39-Y59 VanDerWaalsContact SG-CD1 3.54Å; C39-V68 HydrophobicContact CB-CG2 4.16Å
40	L	92.6	Very high	93.4	Very high	44 Å²	44	61.8 Å²	61.8	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-73.6	-24.3	-175.4	-87.9	62.8	0	0	0	113.2	V8 V36 R42 Y66	V8-L40 HydrophobicContact CG2-CD1 3.99Å; V36-L40 HydrophobicContact CG1-CD1 3.97Å; V36-L40 HydrophobicContact CG1-CD2 3.86Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 WeakPolarHBondContact O-CD1 3.45Å; V36-L40 PolarHBondContact O-N 2.87Å; L40-R42 PolarHBondContact O-N 2.72Å; L40-Y66 HydrophobicContact CD1-CD1 4.19Å; L40-Y66 HydrophobicContact CD1-CD2 4.09Å; L40-Y66 HydrophobicContact CD1-CE2 4.46Å; L40-Y66 HydrophobicContact CD1-CG 3.95Å; L40-Y66 HydrophobicContact CG-CD2 4.39Å; L40-Y66 HydrophobicContact CG-CE2 4.33Å
41	S	92.1	Very high	93.5	Very high	93 Å²	93	66.7 Å²	66.7	65%	0.65	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-1.8	176.5	73.6	0	0	0	0	113.6	R37 C39	R37-S41 WeakPolarHBondContact O-CB 3.21Å; R37-S41 PolarHBondContact O-N 3.5Å; R37-S41 PolarHBondContact O-OG 2.84Å; R37-S41 VanDerWaalsContact O-OG 3.12Å; C39-S41 PolarHBondContact O-N 2.86Å
42	R	92.3	Very high	93.4	Very high	69 Å²	69	67.4 Å²	67.4	26%	0.26	35%	0.348	S	S	.	.	S	Bend	trans	-94.1	141.6	-173.1	-64.3	179.4	70.4	83.6	-7.2	112.1	C38 C39 L40 Q46 C47 Y59	C38-R42 VanDerWaalsContact O-CD 3.22Å; C38-R42 WeakPolarHBondContact O-CD 3.43Å; C38-R42 VanDerWaalsContact O-CG 3.28Å; C38-R42 WeakPolarHBondContact O-CG 3.25Å; C39-R42 WeakPolarHBondContact O-CB 3.35Å; C39-R42 PolarHBondContact O-N 2.85Å; L40-R42 PolarHBondContact O-N 2.72Å; R42-Q46 HydrophobicContact CB-CB 4.47Å; R42-C47 PolarHBondContact NE-O 2.8Å; R42-C47 PolarHBondContact NH2-O 2.86Å; R42-Y59 VanDerWaalsContact CB-OH 3.29Å; R42-Y59 WeakPolarHBondContact CB-OH 3.16Å; R42-Y59 WeakPolarHBondContact CD-OH 3.32Å; R42-Y59 PolarHBondContact NE-OH 2.83Å
43	G	89.3	Confident	93.2	Very high	39 Å²	39	74.4 Å²	74.4	40%	0.402	38%	0.378	S	S	.	.			trans	-76	159.6	176.3	0	0	0	0	0	113.1	H45 Q46	G43-H45 PolarHBondContact O-N 2.8Å; G43-H45 VanDerWaalsContact O-N 3.09Å; G43-Q46 WeakPolarHBondContact O-CB 3.46Å; G43-Q46 PolarHBondContact O-N 2.86Å
44	K	86.3	Confident	93	Very high	192 Å²	192	76.5 Å²	76.5	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	-175.4	-65.4	-176.6	178.4	-178.6	0	115.5
45	H	90.4	Very high	93.1	Very high	194 Å²	194	76 Å²	76	90%	0.898	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	1.8	-179	-57.8	-60.2	0	0	0	113.4	G43	G43-H45 PolarHBondContact O-N 2.8Å; G43-H45 VanDerWaalsContact O-N 3.09Å
46	Q	94.6	Very high	93.2	Very high	100 Å²	100	77.4 Å²	77.4	47%	0.467	38%	0.383	S	S	.	.	S	Bend	trans	-85.3	155	178.9	-63.7	-171.1	-65.4	0	0	111.2	R42 G43 S48	R42-Q46 HydrophobicContact CB-CB 4.47Å; G43-Q46 WeakPolarHBondContact O-CB 3.46Å; G43-Q46 PolarHBondContact O-N 2.86Å; Q46-S48 PolarHBondContact O-N 2.77Å
47	C	94.8	Very high	93.4	Very high	67 Å²	67	76.8 Å²	76.8	45%	0.453	38%	0.379	S	S	.	.			trans	-58.1	139.5	178.3	-172	0	0	0	0	111.2	R42 F49	R42-C47 PolarHBondContact NE-O 2.8Å; R42-C47 PolarHBondContact NH2-O 2.86Å; C47-F49 PolarHBondContact O-N 3.27Å; C47-F49 VanDerWaalsContact SG-CD2 3.56Å; C47-F49 PolarHBondContact SG-N 2.78Å; C47-F49 VanDerWaalsContact SG-N 3.39Å
48	S	97	Very high	93.6	Very high	27 Å²	27	69.9 Å²	69.9	19%	0.189	35%	0.353	C	S	.	.	S	Bend	trans	-77.3	0.3	176	-68.8	0	0	0	0	113.8	Q46 V58 Y59	Q46-S48 PolarHBondContact O-N 2.77Å; S48-V58 WeakPolarHBondContact O-CA 3.41Å; S48-Y59 VanDerWaalsContact CB-O 3.26Å; S48-Y59 WeakPolarHBondContact CB-O 3.4Å; S48-Y59 WeakPolarHBondContact O-CD1 3.4Å; S48-Y59 PolarHBondContact O-N 3.03Å; S48-Y59 PolarHBondContact OG-O 2.99Å
49	F	97.3	Very high	93.8	Very high	60 Å²	60	69.2 Å²	69.2	26%	0.263	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.1	178.4	-42.5	-36.7	0	0	0	108.9	C47 L57 V58 E77 L78 Y81	C47-F49 PolarHBondContact O-N 3.27Å; C47-F49 VanDerWaalsContact SG-CD2 3.56Å; C47-F49 PolarHBondContact SG-N 2.78Å; C47-F49 VanDerWaalsContact SG-N 3.39Å; F49-L57 CarbonylContact C-O 3.59Å; F49-L57 WeakPolarHBondContact CA-O 3.49Å; F49-V58 HydrophobicContact CD1-CB 4.33Å; F49-V58 HydrophobicContact CD1-CG1 3.88Å; F49-V58 HydrophobicContact CD1-CG2 3.99Å; F49-V58 HydrophobicContact CE1-CG1 3.83Å; F49-E77 HydrophobicContact CB-CG 4.42Å; F49-E77 HydrophobicContact CD1-CB 3.77Å; F49-E77 HydrophobicContact CD1-CG 4.49Å; F49-E77 HydrophobicContact CD2-CB 3.8Å; F49-E77 HydrophobicContact CD2-CG 4.36Å; F49-E77 HydrophobicContact CE1-CB 3.9Å; F49-E77 HydrophobicContact CE2-CB 3.9Å; F49-E77 HydrophobicContact CG-CB 3.75Å; F49-E77 HydrophobicContact CG-CG 4.17Å; F49-E77 HydrophobicContact CZ-CB 3.96Å; F49-L78 HydrophobicContact CE2-CD2 4.19Å; F49-L78 HydrophobicContact CZ-CD2 3.84Å; F49-L78 HydrophobicContact CZ-CG 4.35Å; F49-Y81 AromaticContact CE1-CD2 3.99Å; F49-Y81 HydrophobicContact CE1-CD2 3.99Å; F49-Y81 HydrophobicContact CE1-CG 4.25Å
50	V	96.4	Very high	94	Very high	20 Å²	20	71.8 Å²	71.8	12%	0.121	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.8	-176.4	-173.4	0	0	0	0	108.9	C38 K56 L57 Y59	C38-V50 HydrophobicContact CB-CG1 4.49Å; V50-K56 CarbonylContact O-C 3.45Å; V50-K56 WeakPolarHBondContact O-CA 3.34Å; V50-L57 HydrophobicContact CB-CB 4.2Å; V50-L57 PolarHBondContact N-O 2.98Å; V50-L57 PolarHBondContact O-N 3.47Å; V50-Y59 HydrophobicContact CG2-CD1 4.31Å; V50-Y59 HydrophobicContact CG2-CE1 3.97Å
51	E	94.8	Very high	94.1	Very high	165 Å²	165	73.5 Å²	73.5	77%	0.771	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	133	170.9	-64.5	-175.9	176.4	0	0	110.1
52	Y	91.8	Very high	94.2	Very high	49 Å²	49	71.2 Å²	71.2	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	105	177.3	-177.6	-93.6	0	0	0	111.1	V34 D54 F55	V34-Y52 HydrophobicContact CG1-CD2 4.11Å; V34-Y52 HydrophobicContact CG1-CE1 4.23Å; V34-Y52 HydrophobicContact CG1-CE2 3.28Å; V34-Y52 WeakPolarHBondContact CG1-OH 3.49Å; Y52-D54 PolarHBondContact O-N 2.89Å; Y52-D54 VanDerWaalsContact O-N 3.11Å; Y52-F55 CarbonylContact C-O 3.58Å; Y52-F55 VanDerWaalsContact C-O 3.28Å; Y52-F55 WeakPolarHBondContact CA-O 3.34Å; Y52-F55 HydrophobicContact CD1-CD1 4.21Å; Y52-F55 AromaticContact CD1-CE1 3.44Å; Y52-F55 HydrophobicContact CD1-CE1 3.44Å; Y52-F55 VanDerWaalsContact CD1-CE1 3.44Å; Y52-F55 AromaticContact CD1-CE2 3.98Å; Y52-F55 HydrophobicContact CD1-CE2 3.98Å; Y52-F55 AromaticContact CD1-CZ 3.3Å; Y52-F55 HydrophobicContact CD1-CZ 3.3Å; Y52-F55 AromaticContact CE1-CE1 3.83Å; Y52-F55 HydrophobicContact CE1-CE1 3.83Å; Y52-F55 AromaticContact CE1-CZ 3.82Å; Y52-F55 HydrophobicContact CE1-CZ 3.82Å; Y52-F55 HydrophobicContact CG-CZ 4.33Å; Y52-F55 PolarHBondContact N-O 2.77Å; Y52-F55 CarbonylContact O-C 3.56Å; Y52-F55 WeakPolarHBondContact O-CD1 3.42Å; Y52-F55 PolarHBondContact O-N 3.45Å; Y52-F55 VanDerWaalsContact O-N 3.08Å
53	K	90.1	Very high	94	Very high	174 Å²	174	72.2 Å²	72.2	76%	0.757	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-114.1	-179	-59.9	-179.4	176.1	171.2	0	111.5
54	D	90.3	Very high	94	Very high	98 Å²	98	72.3 Å²	72.3	52%	0.524	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.5	-175.6	64.7	-61	0	0	0	113.1	K3 Y52	K3-D54 IonicContact NZ-OD2 2.84Å; K3-D54 PolarHBondContact NZ-OD2 2.89Å; K3-D54 VanDerWaalsContact NZ-OD2 3.1Å; Y52-D54 PolarHBondContact O-N 2.89Å; Y52-D54 VanDerWaalsContact O-N 3.11Å
55	F	94.9	Very high	94.5	Very high	13 Å²	13	64.2 Å²	64.2	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	172.3	177.4	68.6	-90.1	0	0	0	111.8	K3 F4 L31 Y52 L57 V71	K3-F55 HydrophobicContact CD-CB 3.94Å; K3-F55 HydrophobicContact CD-CG 4.22Å; F4-F55 HydrophobicContact CE1-CD2 4.48Å; F4-F55 AromaticContact CE1-CE2 3.81Å; F4-F55 HydrophobicContact CE1-CE2 3.81Å; F4-F55 HydrophobicContact CE1-CZ 4.04Å; F4-F55 AromaticContact CZ-CE2 3.74Å; F4-F55 HydrophobicContact CZ-CE2 3.74Å; F4-F55 HydrophobicContact CZ-CZ 4.19Å; L31-F55 HydrophobicContact CD1-CE1 4.41Å; L31-F55 HydrophobicContact CD1-CZ 3.9Å; Y52-F55 CarbonylContact C-O 3.58Å; Y52-F55 VanDerWaalsContact C-O 3.28Å; Y52-F55 WeakPolarHBondContact CA-O 3.34Å; Y52-F55 HydrophobicContact CD1-CD1 4.21Å; Y52-F55 AromaticContact CD1-CE1 3.44Å; Y52-F55 HydrophobicContact CD1-CE1 3.44Å; Y52-F55 VanDerWaalsContact CD1-CE1 3.44Å; Y52-F55 AromaticContact CD1-CE2 3.98Å; Y52-F55 HydrophobicContact CD1-CE2 3.98Å; Y52-F55 AromaticContact CD1-CZ 3.3Å; Y52-F55 HydrophobicContact CD1-CZ 3.3Å; Y52-F55 AromaticContact CE1-CE1 3.83Å; Y52-F55 HydrophobicContact CE1-CE1 3.83Å; Y52-F55 AromaticContact CE1-CZ 3.82Å; Y52-F55 HydrophobicContact CE1-CZ 3.82Å; Y52-F55 HydrophobicContact CG-CZ 4.33Å; Y52-F55 PolarHBondContact N-O 2.77Å; Y52-F55 CarbonylContact O-C 3.56Å; Y52-F55 WeakPolarHBondContact O-CD1 3.42Å; Y52-F55 PolarHBondContact O-N 3.45Å; Y52-F55 VanDerWaalsContact O-N 3.08Å; F55-L57 HydrophobicContact CD2-CD2 4.34Å; F55-L57 HydrophobicContact CE2-CD2 3.65Å; F55-L57 HydrophobicContact CE2-CG 4.13Å; F55-V71 VanDerWaalsContact CB-O 3.31Å; F55-V71 WeakPolarHBondContact CB-O 3.42Å
56	K	97.3	Very high	94.7	Very high	33 Å²	33	56.3 Å²	56.3	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.4	177.4	-60.9	171.5	-175	170.7	0	110	V50 G70 V71 D73 E77	V50-K56 CarbonylContact O-C 3.45Å; V50-K56 WeakPolarHBondContact O-CA 3.34Å; K56-G70 CarbonylContact O-C 3.56Å; K56-G70 WeakPolarHBondContact O-CA 3.28Å; K56-V71 HydrophobicContact CB-CG2 4.09Å; K56-V71 PolarHBondContact N-O 3.43Å; K56-V71 PolarHBondContact O-N 3.11Å; K56-D73 WeakPolarHBondContact CE-OD1 3.32Å; K56-D73 PolarHBondContact NZ-O 2.92Å; K56-E77 HydrophobicContact CD-CG 4.26Å; K56-E77 WeakPolarHBondContact CD-OE1 3.24Å; K56-E77 WeakPolarHBondContact CE-OE1 3.3Å; K56-E77 IonicContact NZ-OE1 2.97Å; K56-E77 PolarHBondContact NZ-OE1 2.71Å
57	L	97.9	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.4	169.9	-61.9	169.2	0	0	0	108.8	F4 A35 C38 F49 V50 F55 V68 V69	F4-L57 HydrophobicContact CE2-CD2 4.12Å; F4-L57 HydrophobicContact CZ-CD2 3.77Å; A35-L57 HydrophobicContact CB-CD1 4.26Å; A35-L57 HydrophobicContact CB-CD2 3.92Å; C38-L57 HydrophobicContact CB-CD1 3.87Å; F49-L57 CarbonylContact C-O 3.59Å; F49-L57 WeakPolarHBondContact CA-O 3.49Å; V50-L57 HydrophobicContact CB-CB 4.2Å; V50-L57 PolarHBondContact N-O 2.98Å; V50-L57 PolarHBondContact O-N 3.47Å; F55-L57 HydrophobicContact CD2-CD2 4.34Å; F55-L57 HydrophobicContact CE2-CD2 3.65Å; F55-L57 HydrophobicContact CE2-CG 4.13Å; L57-V68 HydrophobicContact CD2-CG1 3.95Å; L57-V69 WeakPolarHBondContact CA-O 3.29Å
58	V	98.4	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.8	168.2	-179.1	0	0	0	0	107.2	S48 F49 V69 V71 E77 I80 Y81 I84	S48-V58 WeakPolarHBondContact O-CA 3.41Å; F49-V58 HydrophobicContact CD1-CB 4.33Å; F49-V58 HydrophobicContact CD1-CG1 3.88Å; F49-V58 HydrophobicContact CD1-CG2 3.99Å; F49-V58 HydrophobicContact CE1-CG1 3.83Å; V58-V69 PolarHBondContact N-O 3.17Å; V58-V69 PolarHBondContact O-N 2.85Å; V58-V71 HydrophobicContact CG2-CG2 4.2Å; V58-E77 HydrophobicContact CG2-CB 4.03Å; V58-E77 HydrophobicContact CG2-CG 4.24Å; V58-I80 HydrophobicContact CB-CB 4.35Å; V58-I80 HydrophobicContact CB-CG2 3.76Å; V58-I80 HydrophobicContact CG1-CB 4.28Å; V58-I80 HydrophobicContact CG1-CG2 3.95Å; V58-I80 HydrophobicContact CG2-CB 4.17Å; V58-I80 HydrophobicContact CG2-CG2 4Å; V58-Y81 HydrophobicContact CG1-CD2 4.06Å; V58-I84 HydrophobicContact CG1-CD1 4Å
59	Y	97.9	Very high	95.1	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.2	-178.5	77	-82.7	0	0	0	113	C39 R42 S48 V50 Y66 V67 Y81	C39-Y59 HydrophobicContact CB-CD1 3.99Å; C39-Y59 HydrophobicContact CB-CD2 4.01Å; C39-Y59 HydrophobicContact CB-CE1 4.43Å; C39-Y59 HydrophobicContact CB-CE2 4.46Å; C39-Y59 HydrophobicContact CB-CG 3.77Å; C39-Y59 VanDerWaalsContact SG-CD1 3.54Å; R42-Y59 VanDerWaalsContact CB-OH 3.29Å; R42-Y59 WeakPolarHBondContact CB-OH 3.16Å; R42-Y59 WeakPolarHBondContact CD-OH 3.32Å; R42-Y59 PolarHBondContact NE-OH 2.83Å; S48-Y59 VanDerWaalsContact CB-O 3.26Å; S48-Y59 WeakPolarHBondContact CB-O 3.4Å; S48-Y59 WeakPolarHBondContact O-CD1 3.4Å; S48-Y59 PolarHBondContact O-N 3.03Å; S48-Y59 PolarHBondContact OG-O 2.99Å; V50-Y59 HydrophobicContact CG2-CD1 4.31Å; V50-Y59 HydrophobicContact CG2-CE1 3.97Å; Y59-Y66 HydrophobicContact CD2-CD1 4.23Å; Y59-V67 CarbonylContact C-O 3.56Å; Y59-V67 WeakPolarHBondContact CA-O 3.41Å; Y59-V67 WeakPolarHBondContact CB-O 3.28Å; Y59-Y81 WeakPolarHBondContact O-CE2 3.32Å
60	R	96.9	Very high	95.2	Very high	54 Å²	54	44.5 Å²	44.5	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.4	173.6	-168.4	165.4	172.3	169	-0.6	111	Y62 Y66 V67 Y81 I84	R60-Y62 HydrophobicContact CB-CE2 3.83Å; R60-Y62 WeakPolarHBondContact CD-OH 3.22Å; R60-Y62 HydrophobicContact CG-CD2 4.41Å; R60-Y62 HydrophobicContact CG-CE2 3.65Å; R60-Y62 PolarHBondContact NE-OH 3.47Å; R60-Y62 VanDerWaalsContact NE-OH 3.14Å; R60-Y66 WeakPolarHBondContact O-CA 3.46Å; R60-V67 PolarHBondContact N-O 2.88Å; R60-V67 PolarHBondContact O-N 3.21Å; R60-Y81 HydrophobicContact CB-CD2 4.44Å; R60-Y81 HydrophobicContact CB-CE2 3.86Å; R60-Y81 VanDerWaalsContact CD-CZ 3.41Å; R60-Y81 WeakPolarHBondContact CD-OH 3.46Å; R60-Y81 HydrophobicContact CG-CE2 3.91Å; R60-Y81 VanDerWaalsContact NH1-CE1 3.3Å; R60-I84 HydrophobicContact CB-CG2 3.88Å
61	Q	95	Very high	95.3	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	178.7	-174.6	-179.3	-4.4	0	0	111	A63 Y66	Q61-A63 PolarHBondContact NE2-O 3.13Å; Q61-Y66 HydrophobicContact CB-CD1 3.87Å; Q61-Y66 HydrophobicContact CB-CE1 3.6Å; Q61-Y66 HydrophobicContact CG-CD1 4.13Å; Q61-Y66 HydrophobicContact CG-CD2 4.46Å; Q61-Y66 HydrophobicContact CG-CE1 3.66Å; Q61-Y66 HydrophobicContact CG-CE2 4.02Å; Q61-Y66 PolarHBondContact NE2-OH 2.89Å; Q61-Y66 PolarHBondContact OE1-OH 3.06Å
62	Y	93.5	Very high	95.3	Very high	46 Å²	46	36.7 Å²	36.7	18%	0.18	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	102.1	173.2	-63.7	-88.2	0	0	0	109.4	R60 A64 L65 V67 I84 Q85 V88	R60-Y62 HydrophobicContact CB-CE2 3.83Å; R60-Y62 WeakPolarHBondContact CD-OH 3.22Å; R60-Y62 HydrophobicContact CG-CD2 4.41Å; R60-Y62 HydrophobicContact CG-CE2 3.65Å; R60-Y62 PolarHBondContact NE-OH 3.47Å; R60-Y62 VanDerWaalsContact NE-OH 3.14Å; Y62-A64 PolarHBondContact O-N 2.78Å; Y62-L65 PolarHBondContact N-O 3.28Å; Y62-L65 PolarHBondContact O-N 3.25Å; Y62-V67 HydrophobicContact CD2-CG2 4.46Å; Y62-I84 HydrophobicContact CE2-CG2 3.76Å; Y62-Q85 VanDerWaalsContact CE1-OE1 3.27Å; Y62-Q85 WeakPolarHBondContact OH-CA 3.48Å; Y62-Q85 PolarHBondContact OH-N 3.36Å; Y62-Q85 PolarHBondContact OH-OE1 3.34Å; Y62-V88 HydrophobicContact CD1-CB 4.43Å; Y62-V88 HydrophobicContact CD1-CG1 3.83Å; Y62-V88 HydrophobicContact CD1-CG2 4.44Å; Y62-V88 HydrophobicContact CD2-CG2 3.83Å; Y62-V88 HydrophobicContact CE1-CB 4.1Å; Y62-V88 HydrophobicContact CE1-CG1 3.91Å; Y62-V88 HydrophobicContact CE1-CG2 4.23Å; Y62-V88 HydrophobicContact CE2-CB 4.34Å; Y62-V88 HydrophobicContact CE2-CG2 3.6Å; Y62-V88 HydrophobicContact CG-CG1 4.16Å; Y62-V88 HydrophobicContact CG-CG2 4.23Å
63	A	89.5	Confident	95.4	Very high	90 Å²	90	38.9 Å²	38.9	74%	0.744	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	-109.6	-173.3	0	0	0	0	0	112.2	Q10 Q61	Q10-A63 PolarHBondContact NE2-O 3.27Å; Q61-A63 PolarHBondContact NE2-O 3.13Å
64	A	89.8	Confident	95.5	Very high	40 Å²	40	35.4 Å²	35.4	33%	0.331	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.6	-179.7	0	0	0	0	0	114.6	N9 Q10 Y62	N9-A64 CarbonylContact C-O 3.56Å; N9-A64 WeakPolarHBondContact CA-O 3.4Å; Q10-A64 HydrophobicContact CG-CB 4.48Å; Q10-A64 PolarHBondContact N-O 3.4Å; Y62-A64 PolarHBondContact O-N 2.78Å
65	L	94.9	Very high	95.8	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.7	-179.6	-67.5	170.9	0	0	0	111.7	M7 V8 N9 R15 Y62 E100 I103	M7-L65 HydrophobicContact CG-CD2 4.32Å; M7-L65 HydrophobicContact SD-CD1 3.99Å; M7-L65 HydrophobicContact SD-CD2 4.34Å; V8-L65 CarbonylContact O-C 3.56Å; V8-L65 WeakPolarHBondContact O-CA 3.18Å; N9-L65 HydrophobicContact CB-CD2 4.37Å; R15-L65 HydrophobicContact CG-CD2 4.28Å; Y62-L65 PolarHBondContact N-O 3.28Å; Y62-L65 PolarHBondContact O-N 3.25Å; L65-E100 HydrophobicContact CD1-CB 4.18Å; L65-E100 HydrophobicContact CD2-CB 4.17Å; L65-E100 HydrophobicContact CD2-CG 3.99Å; L65-E100 HydrophobicContact CG-CB 4.34Å; L65-I103 HydrophobicContact CD1-CD1 3.68Å
66	Y	96.6	Very high	95.9	Very high	28 Å²	28	36.4 Å²	36.4	11%	0.11	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.8	170.3	-69.4	-101.3	0	0	0	108.4	M7 V8 Q10 L40 Y59 R60 Q61	M7-Y66 CarbonylContact C-O 3.54Å; M7-Y66 VanDerWaalsContact CA-O 3.3Å; M7-Y66 WeakPolarHBondContact CA-O 3.23Å; V8-Y66 PolarHBondContact N-O 3.07Å; V8-Y66 PolarHBondContact O-N 3.19Å; Q10-Y66 HydrophobicContact CG-CE2 3.94Å; L40-Y66 HydrophobicContact CD1-CD1 4.19Å; L40-Y66 HydrophobicContact CD1-CD2 4.09Å; L40-Y66 HydrophobicContact CD1-CE2 4.46Å; L40-Y66 HydrophobicContact CD1-CG 3.95Å; L40-Y66 HydrophobicContact CG-CD2 4.39Å; L40-Y66 HydrophobicContact CG-CE2 4.33Å; Y59-Y66 HydrophobicContact CD2-CD1 4.23Å; R60-Y66 WeakPolarHBondContact O-CA 3.46Å; Q61-Y66 HydrophobicContact CB-CD1 3.87Å; Q61-Y66 HydrophobicContact CB-CE1 3.6Å; Q61-Y66 HydrophobicContact CG-CD1 4.13Å; Q61-Y66 HydrophobicContact CG-CD2 4.46Å; Q61-Y66 HydrophobicContact CG-CE1 3.66Å; Q61-Y66 HydrophobicContact CG-CE2 4.02Å; Q61-Y66 PolarHBondContact NE2-OH 2.89Å; Q61-Y66 PolarHBondContact OE1-OH 3.06Å
67	V	98.1	Very high	95.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.4	167.5	-176.2	0	0	0	0	107.4	V5 I6 M7 Y59 R60 Y62 V69 I84 V88	V5-V67 HydrophobicContact CG1-CG1 4.36Å; I6-V67 WeakPolarHBondContact O-CA 3.37Å; M7-V67 HydrophobicContact CE-CG2 3.98Å; M7-V67 HydrophobicContact CG-CG2 4.26Å; Y59-V67 CarbonylContact C-O 3.56Å; Y59-V67 WeakPolarHBondContact CA-O 3.41Å; Y59-V67 WeakPolarHBondContact CB-O 3.28Å; R60-V67 PolarHBondContact N-O 2.88Å; R60-V67 PolarHBondContact O-N 3.21Å; Y62-V67 HydrophobicContact CD2-CG2 4.46Å; V67-V69 HydrophobicContact CG1-CG2 4.42Å; V67-I84 HydrophobicContact CB-CG2 3.67Å; V67-I84 HydrophobicContact CG1-CG1 4.08Å; V67-I84 HydrophobicContact CG1-CG2 3.84Å; V67-I84 HydrophobicContact CG2-CG2 4.25Å; V67-V88 HydrophobicContact CG2-CG2 4.21Å
68	V	98.2	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.9	-177.4	-175.1	0	0	0	0	108.5	I6 A35 C39 L57	I6-V68 PolarHBondContact N-O 2.9Å; I6-V68 PolarHBondContact O-N 3.36Å; A35-V68 HydrophobicContact CB-CG1 4.38Å; C39-V68 HydrophobicContact CB-CG2 4.16Å; L57-V68 HydrophobicContact CD2-CG1 3.95Å
69	V	98.4	Very high	95.9	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.1	-179.4	-172.5	0	0	0	0	108.7	I2 F4 V5 L57 V58 V67 V71 I80 I84	I2-V69 HydrophobicContact CG1-CG1 4.48Å; I2-V69 HydrophobicContact CG2-CG1 3.71Å; F4-V69 WeakPolarHBondContact O-CA 3.44Å; V5-V69 HydrophobicContact CG1-CG2 4.46Å; V5-V69 HydrophobicContact CG2-CG1 4.17Å; V5-V69 HydrophobicContact CG2-CG2 4.18Å; L57-V69 WeakPolarHBondContact CA-O 3.29Å; V58-V69 PolarHBondContact N-O 3.17Å; V58-V69 PolarHBondContact O-N 2.85Å; V67-V69 HydrophobicContact CG1-CG2 4.42Å; V69-V71 HydrophobicContact CG1-CG1 3.75Å; V69-I80 HydrophobicContact CB-CG2 3.85Å; V69-I80 HydrophobicContact CG1-CG2 3.78Å; V69-I80 HydrophobicContact CG2-CG2 4.33Å; V69-I84 HydrophobicContact CB-CD1 4.42Å; V69-I84 HydrophobicContact CG2-CD1 3.67Å; V69-I84 HydrophobicContact CG2-CG1 3.61Å
70	G	98	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.5	171.1	0	0	0	0	0	110.1	K3 F4 K56	K3-G70 PolarHBondContact N-O 3.05Å; F4-G70 PolarHBondContact N-O 2.84Å; F4-G70 PolarHBondContact O-N 3.29Å; K56-G70 CarbonylContact O-C 3.56Å; K56-G70 WeakPolarHBondContact O-CA 3.28Å
71	V	98.1	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	-176.8	-59.3	0	0	0	0	111.9	M1 I2 F55 K56 V58 V69 E75 I80	M1-V71 WeakPolarHBondContact O-CA 3.48Å; I2-V71 HydrophobicContact CG1-CG1 4.15Å; F55-V71 VanDerWaalsContact CB-O 3.31Å; F55-V71 WeakPolarHBondContact CB-O 3.42Å; K56-V71 HydrophobicContact CB-CG2 4.09Å; K56-V71 PolarHBondContact N-O 3.43Å; K56-V71 PolarHBondContact O-N 3.11Å; V58-V71 HydrophobicContact CG2-CG2 4.2Å; V69-V71 HydrophobicContact CG1-CG1 3.75Å; V71-E75 HydrophobicContact CB-CB 3.95Å; V71-E75 HydrophobicContact CB-CG 3.98Å; V71-E75 HydrophobicContact CG2-CB 4.1Å; V71-I80 HydrophobicContact CG1-CD1 3.98Å; V71-I80 HydrophobicContact CG1-CG1 3.89Å; V71-I80 HydrophobicContact CG1-CG2 3.96Å
72	S	96.4	Very high	96.2	Very high	22 Å²	22	46.1 Å²	46.1	15%	0.154	26%	0.263	C	S	.	.			trans	-66.2	159.3	172.4	66.6	0	0	0	0	111.8	M1 S74 E75	M1-S72 PolarHBondContact N-OG 2.88Å; M1-S72 PolarHBondContact O-N 3.45Å; S72-S74 PolarHBondContact O-N 3.23Å; S72-S74 PolarHBondContact OG-OG 3.22Å; S72-E75 PolarHBondContact O-N 3.04Å
73	D	92.9	Very high	96.4	Very high	94 Å²	94	44.5 Å²	44.5	50%	0.503	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.8	-175.5	-66.4	-27.5	0	0	0	115.1	K56	K56-D73 WeakPolarHBondContact CE-OD1 3.32Å; K56-D73 PolarHBondContact NZ-O 2.92Å
74	S	92.3	Very high	96.9	Very high	101 Å²	101	40.3 Å²	40.3	71%	0.706	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.2	178.3	64.7	0	0	0	0	114.8	S72	S72-S74 PolarHBondContact O-N 3.23Å; S72-S74 PolarHBondContact OG-OG 3.22Å
75	E	96.7	Very high	97.3	Very high	50 Å²	50	40 Å²	40	23%	0.234	22%	0.215	C	C	.	.	S	Bend	trans	-80.6	147.8	-179.5	-68.6	-61	142.5	0	0	111.7	M1 V71 S72 E77 I80	M1-E75 WeakPolarHBondContact CA-OE1 3.13Å; M1-E75 PolarHBondContact N-OE1 3.16Å; V71-E75 HydrophobicContact CB-CB 3.95Å; V71-E75 HydrophobicContact CB-CG 3.98Å; V71-E75 HydrophobicContact CG2-CB 4.1Å; S72-E75 PolarHBondContact O-N 3.04Å; E75-E77 PolarHBondContact O-N 3.34Å; E75-I80 HydrophobicContact CB-CG1 4.38Å
76	N	97.3	Very high	97.4	Very high	83 Å²	83	40.2 Å²	40.2	44%	0.444	22%	0.216	S	C	.	.			trans	-80.1	115.1	172.6	-177	-54.5	0	0	0	109.9	L78 S79 I80	N76-L78 VanDerWaalsContact C-N 3.29Å; N76-L78 PolarHBondContact O-N 2.86Å; N76-L78 WeakPolarHBondContact OD1-CA 3.39Å; N76-L78 WeakPolarHBondContact OD1-CB 3.27Å; N76-L78 PolarHBondContact OD1-N 3.44Å; N76-S79 PolarHBondContact O-N 3.45Å; N76-S79 PolarHBondContact OD1-N 3.25Å; N76-S79 PolarHBondContact OD1-OG 3.24Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 3.29Å; N76-I80 VanDerWaalsContact O-N 3.16Å
77	E	97.8	Very high	97.5	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.224	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-33.1	-174.4	-58.6	88.3	162.3	0	0	112.8	F49 K56 V58 E75 I80 Y81	F49-E77 HydrophobicContact CB-CG 4.42Å; F49-E77 HydrophobicContact CD1-CB 3.77Å; F49-E77 HydrophobicContact CD1-CG 4.49Å; F49-E77 HydrophobicContact CD2-CB 3.8Å; F49-E77 HydrophobicContact CD2-CG 4.36Å; F49-E77 HydrophobicContact CE1-CB 3.9Å; F49-E77 HydrophobicContact CE2-CB 3.9Å; F49-E77 HydrophobicContact CG-CB 3.75Å; F49-E77 HydrophobicContact CG-CG 4.17Å; F49-E77 HydrophobicContact CZ-CB 3.96Å; K56-E77 HydrophobicContact CD-CG 4.26Å; K56-E77 WeakPolarHBondContact CD-OE1 3.24Å; K56-E77 WeakPolarHBondContact CE-OE1 3.3Å; K56-E77 IonicContact NZ-OE1 2.97Å; K56-E77 PolarHBondContact NZ-OE1 2.71Å; V58-E77 HydrophobicContact CG2-CB 4.03Å; V58-E77 HydrophobicContact CG2-CG 4.24Å; E75-E77 PolarHBondContact O-N 3.34Å; E77-I80 PolarHBondContact O-N 3.47Å; E77-Y81 WeakPolarHBondContact O-CB 3.49Å; E77-Y81 PolarHBondContact O-N 3.5Å
78	L	98.2	Very high	97.5	Very high	110 Å²	110	40 Å²	40	58%	0.576	22%	0.217	S	C	*	.	H	α-helix	trans	-70.1	-39.5	177	-67.7	168.4	0	0	0	111.6	F49 N76 I80 Y81 E82	F49-L78 HydrophobicContact CE2-CD2 4.19Å; F49-L78 HydrophobicContact CZ-CD2 3.84Å; F49-L78 HydrophobicContact CZ-CG 4.35Å; N76-L78 VanDerWaalsContact C-N 3.29Å; N76-L78 PolarHBondContact O-N 2.86Å; N76-L78 WeakPolarHBondContact OD1-CA 3.39Å; N76-L78 WeakPolarHBondContact OD1-CB 3.27Å; N76-L78 PolarHBondContact OD1-N 3.44Å; L78-I80 VanDerWaalsContact C-N 3.29Å; L78-I80 PolarHBondContact O-N 3.02Å; L78-Y81 WeakPolarHBondContact O-CB 3.39Å; L78-Y81 PolarHBondContact O-N 2.9Å; L78-E82 PolarHBondContact O-N 3.1Å
79	S	98	Very high	97.5	Very high	64 Å²	64	43.5 Å²	43.5	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-39.5	174.6	-59.1	0	0	0	0	111.6	N76 E82 L83	N76-S79 PolarHBondContact O-N 3.45Å; N76-S79 PolarHBondContact OD1-N 3.25Å; N76-S79 PolarHBondContact OD1-OG 3.24Å; S79-E82 PolarHBondContact O-N 3.08Å; S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 PolarHBondContact O-N 3.32Å
80	I	98.6	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-37.8	175.4	-57.9	-64.4	0	0	0	111.2	I2 V58 V69 V71 E75 N76 E77 L78 E82 L83 I84 I123	I2-I80 HydrophobicContact CD1-CD1 3.97Å; I2-I80 HydrophobicContact CG1-CD1 3.81Å; V58-I80 HydrophobicContact CB-CB 4.35Å; V58-I80 HydrophobicContact CB-CG2 3.76Å; V58-I80 HydrophobicContact CG1-CB 4.28Å; V58-I80 HydrophobicContact CG1-CG2 3.95Å; V58-I80 HydrophobicContact CG2-CB 4.17Å; V58-I80 HydrophobicContact CG2-CG2 4Å; V69-I80 HydrophobicContact CB-CG2 3.85Å; V69-I80 HydrophobicContact CG1-CG2 3.78Å; V69-I80 HydrophobicContact CG2-CG2 4.33Å; V71-I80 HydrophobicContact CG1-CD1 3.98Å; V71-I80 HydrophobicContact CG1-CG1 3.89Å; V71-I80 HydrophobicContact CG1-CG2 3.96Å; E75-I80 HydrophobicContact CB-CG1 4.38Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 3.29Å; N76-I80 VanDerWaalsContact O-N 3.16Å; E77-I80 PolarHBondContact O-N 3.47Å; L78-I80 VanDerWaalsContact C-N 3.29Å; L78-I80 PolarHBondContact O-N 3.02Å; I80-E82 VanDerWaalsContact C-N 3.32Å; I80-E82 PolarHBondContact O-N 3.09Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.46Å; I80-I84 PolarHBondContact O-N 2.99Å; I80-I123 HydrophobicContact CD1-CD1 4.47Å
81	Y	98.4	Very high	97.5	Very high	55 Å²	55	43.4 Å²	43.4	22%	0.216	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-38.8	176.2	-168.6	-98.9	0	0	0	112.4	F49 V58 Y59 R60 E77 L78 I84 Q85	F49-Y81 AromaticContact CE1-CD2 3.99Å; F49-Y81 HydrophobicContact CE1-CD2 3.99Å; F49-Y81 HydrophobicContact CE1-CG 4.25Å; V58-Y81 HydrophobicContact CG1-CD2 4.06Å; Y59-Y81 WeakPolarHBondContact O-CE2 3.32Å; R60-Y81 HydrophobicContact CB-CD2 4.44Å; R60-Y81 HydrophobicContact CB-CE2 3.86Å; R60-Y81 VanDerWaalsContact CD-CZ 3.41Å; R60-Y81 WeakPolarHBondContact CD-OH 3.46Å; R60-Y81 HydrophobicContact CG-CE2 3.91Å; R60-Y81 VanDerWaalsContact NH1-CE1 3.3Å; E77-Y81 WeakPolarHBondContact O-CB 3.49Å; E77-Y81 PolarHBondContact O-N 3.5Å; L78-Y81 WeakPolarHBondContact O-CB 3.39Å; L78-Y81 PolarHBondContact O-N 2.9Å; Y81-I84 PolarHBondContact O-N 3.49Å; Y81-Q85 PolarHBondContact O-N 3.39Å
82	E	98.4	Very high	97.5	Very high	109 Å²	109	47 Å²	47	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-75.6	-29.6	173.7	-70.6	-54.5	132.6	0	0	112.9	L78 S79 I80 I84 Q85 N86	L78-E82 PolarHBondContact O-N 3.1Å; S79-E82 PolarHBondContact O-N 3.08Å; I80-E82 VanDerWaalsContact C-N 3.32Å; I80-E82 PolarHBondContact O-N 3.09Å; E82-I84 VanDerWaalsContact C-N 3.3Å; E82-I84 PolarHBondContact O-N 3.01Å; E82-Q85 WeakPolarHBondContact O-CB 3.47Å; E82-Q85 PolarHBondContact O-N 3.5Å; E82-N86 PolarHBondContact O-N 3.05Å
83	L	98.6	Very high	97.5	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-43.3	169.4	178.3	70.4	0	0	0	111.2	I2 S79 I80 Q85 N86 F87 M117 I118 I123	I2-L83 HydrophobicContact CD1-CD2 3.61Å; S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 PolarHBondContact O-N 3.32Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 3.3Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.45Å; L83-N86 PolarHBondContact O-N 2.88Å; L83-F87 WeakPolarHBondContact O-CB 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; L83-M117 HydrophobicContact CD1-CE 3.74Å; L83-I118 HydrophobicContact CD2-CD1 3.87Å; L83-I118 HydrophobicContact CD2-CG1 4.2Å; L83-I123 HydrophobicContact CB-CD1 4.29Å; L83-I123 HydrophobicContact CD1-CD1 4.15Å; L83-I123 HydrophobicContact CD1-CG1 4.1Å; L83-I123 HydrophobicContact CD1-CG2 4.03Å; L83-I123 HydrophobicContact CD2-CD1 3.86Å; L83-I123 HydrophobicContact CD2-CG1 3.77Å; L83-I123 HydrophobicContact CG-CD1 4.33Å; L83-I123 HydrophobicContact CG-CG1 4.47Å
84	I	98.6	Very high	97.7	Very high	3 Å²	3	49 Å²	49	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-43.2	175.3	-66.6	168.6	0	0	0	110.6	V58 R60 Y62 V67 V69 I80 Y81 E82 F87 V88	V58-I84 HydrophobicContact CG1-CD1 4Å; R60-I84 HydrophobicContact CB-CG2 3.88Å; Y62-I84 HydrophobicContact CE2-CG2 3.76Å; V67-I84 HydrophobicContact CB-CG2 3.67Å; V67-I84 HydrophobicContact CG1-CG1 4.08Å; V67-I84 HydrophobicContact CG1-CG2 3.84Å; V67-I84 HydrophobicContact CG2-CG2 4.25Å; V69-I84 HydrophobicContact CB-CD1 4.42Å; V69-I84 HydrophobicContact CG2-CD1 3.67Å; V69-I84 HydrophobicContact CG2-CG1 3.61Å; I80-I84 WeakPolarHBondContact O-CG1 3.46Å; I80-I84 PolarHBondContact O-N 2.99Å; Y81-I84 PolarHBondContact O-N 3.49Å; E82-I84 VanDerWaalsContact C-N 3.3Å; E82-I84 PolarHBondContact O-N 3.01Å; I84-F87 PolarHBondContact O-N 2.87Å; I84-V88 PolarHBondContact O-N 2.8Å; I84-V88 VanDerWaalsContact O-N 3.09Å
85	Q	98.3	Very high	97.9	Very high	34 Å²	34	45.8 Å²	45.8	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-50	175.4	-177	60.8	24	0	0	112.2	Y62 Y81 E82 L83 F87 V88 E89	Y62-Q85 VanDerWaalsContact CE1-OE1 3.27Å; Y62-Q85 WeakPolarHBondContact OH-CA 3.48Å; Y62-Q85 PolarHBondContact OH-N 3.36Å; Y62-Q85 PolarHBondContact OH-OE1 3.34Å; Y81-Q85 PolarHBondContact O-N 3.39Å; E82-Q85 WeakPolarHBondContact O-CB 3.47Å; E82-Q85 PolarHBondContact O-N 3.5Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.45Å; Q85-F87 VanDerWaalsContact C-N 3.26Å; Q85-F87 PolarHBondContact O-N 3.43Å; Q85-V88 PolarHBondContact O-N 3.04Å; Q85-E89 HydrophobicContact CG-CG 4.45Å; Q85-E89 PolarHBondContact NE2-OE1 3.23Å; Q85-E89 WeakPolarHBondContact O-CG 3.49Å; Q85-E89 PolarHBondContact O-N 3.02Å
86	N	98.5	Very high	97.7	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.134	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-40	179.8	-168.8	42.4	0	0	0	111.1	E82 L83 E89 V90 M117 T126 K128	E82-N86 PolarHBondContact O-N 3.05Å; L83-N86 PolarHBondContact O-N 2.88Å; N86-E89 PolarHBondContact O-N 3.05Å; N86-V90 VanDerWaalsContact O-CG2 3.27Å; N86-V90 WeakPolarHBondContact O-CG2 3.26Å; N86-V90 PolarHBondContact O-N 3.09Å; N86-M117 HydrophobicContact CB-CE 4.19Å; N86-T126 PolarHBondContact ND2-O 3.03Å; N86-K128 WeakPolarHBondContact OD1-CE 3.17Å
87	F	98.6	Very high	97.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-48.8	177.2	174.1	-125.5	0	0	0	111.7	M7 L16 L83 I84 Q85 E89 V90 L91 V110 I113 L114 M117	M7-F87 HydrophobicContact CE-CE1 3.71Å; M7-F87 HydrophobicContact CE-CZ 4.33Å; L16-F87 HydrophobicContact CD2-CE1 4.24Å; L16-F87 HydrophobicContact CD2-CZ 3.88Å; L83-F87 WeakPolarHBondContact O-CB 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; I84-F87 PolarHBondContact O-N 2.87Å; Q85-F87 VanDerWaalsContact C-N 3.26Å; Q85-F87 PolarHBondContact O-N 3.43Å; F87-E89 VanDerWaalsContact C-N 3.32Å; F87-E89 PolarHBondContact O-N 3.3Å; F87-V90 PolarHBondContact O-N 2.86Å; F87-L91 HydrophobicContact CD1-CD1 4.26Å; F87-L91 HydrophobicContact CD2-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.37Å; F87-L91 HydrophobicContact CE1-CD1 3.83Å; F87-L91 HydrophobicContact CE2-CD1 3.95Å; F87-L91 HydrophobicContact CE2-CD2 4.16Å; F87-L91 HydrophobicContact CE2-CG 4.05Å; F87-L91 HydrophobicContact CZ-CD1 3.66Å; F87-L91 HydrophobicContact CZ-CD2 4.4Å; F87-L91 HydrophobicContact CZ-CG 4.26Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 2.96Å; F87-V110 HydrophobicContact CE2-CG1 4.43Å; F87-V110 HydrophobicContact CZ-CG1 3.92Å; F87-I113 HydrophobicContact CD2-CG2 3.9Å; F87-I113 HydrophobicContact CE2-CG2 3.83Å; F87-L114 HydrophobicContact CD2-CD1 4.16Å; F87-L114 HydrophobicContact CE2-CB 4.28Å; F87-L114 HydrophobicContact CE2-CD1 3.98Å; F87-L114 HydrophobicContact CZ-CD1 4.19Å; F87-M117 HydrophobicContact CB-CE 3.91Å; F87-M117 HydrophobicContact CB-SD 4.05Å; F87-M117 HydrophobicContact CD2-SD 3.85Å; F87-M117 HydrophobicContact CG-SD 4.44Å
88	V	97.8	Very high	97.3	Very high	22 Å²	22	53.9 Å²	53.9	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-37.2	177.9	174.8	0	0	0	0	111.9	Y62 V67 I84 Q85 V90 L91 D92	Y62-V88 HydrophobicContact CD1-CB 4.43Å; Y62-V88 HydrophobicContact CD1-CG1 3.83Å; Y62-V88 HydrophobicContact CD1-CG2 4.44Å; Y62-V88 HydrophobicContact CD2-CG2 3.83Å; Y62-V88 HydrophobicContact CE1-CB 4.1Å; Y62-V88 HydrophobicContact CE1-CG1 3.91Å; Y62-V88 HydrophobicContact CE1-CG2 4.23Å; Y62-V88 HydrophobicContact CE2-CB 4.34Å; Y62-V88 HydrophobicContact CE2-CG2 3.6Å; Y62-V88 HydrophobicContact CG-CG1 4.16Å; Y62-V88 HydrophobicContact CG-CG2 4.23Å; V67-V88 HydrophobicContact CG2-CG2 4.21Å; I84-V88 PolarHBondContact O-N 2.8Å; I84-V88 VanDerWaalsContact O-N 3.09Å; Q85-V88 PolarHBondContact O-N 3.04Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V88-L91 PolarHBondContact O-N 2.91Å; V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.28Å
89	E	98.1	Very high	97.1	Very high	73 Å²	73	51 Å²	51	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-69.4	-31.2	176.4	-69.8	175.3	165.9	0	0	113.2	Q85 N86 F87 K93 K128	Q85-E89 HydrophobicContact CG-CG 4.45Å; Q85-E89 PolarHBondContact NE2-OE1 3.23Å; Q85-E89 WeakPolarHBondContact O-CG 3.49Å; Q85-E89 PolarHBondContact O-N 3.02Å; N86-E89 PolarHBondContact O-N 3.05Å; F87-E89 VanDerWaalsContact C-N 3.32Å; F87-E89 PolarHBondContact O-N 3.3Å; E89-K93 WeakPolarHBondContact O-CB 3.16Å; E89-K93 PolarHBondContact O-N 3.45Å; E89-K128 HydrophobicContact CB-CD 4.47Å; E89-K128 VanDerWaalsContact OE2-CE 3.25Å; E89-K128 WeakPolarHBondContact OE2-CE 3.29Å; E89-K128 IonicContact OE2-NZ 2.66Å; E89-K128 PolarHBondContact OE2-NZ 2.99Å
90	V	98.4	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-44.9	171.7	172.8	0	0	0	0	110.3	N86 F87 V88 K93 Y94 I113 M117 K128 I131 L132	N86-V90 VanDerWaalsContact O-CG2 3.27Å; N86-V90 WeakPolarHBondContact O-CG2 3.26Å; N86-V90 PolarHBondContact O-N 3.09Å; F87-V90 PolarHBondContact O-N 2.86Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V90-K93 PolarHBondContact O-N 2.95Å; V90-Y94 PolarHBondContact O-N 3.34Å; V90-I113 HydrophobicContact CB-CG2 4.28Å; V90-I113 HydrophobicContact CG1-CD1 4.26Å; V90-I113 HydrophobicContact CG1-CG1 4.25Å; V90-I113 HydrophobicContact CG1-CG2 3.57Å; V90-M117 HydrophobicContact CG2-SD 4.43Å; V90-K128 HydrophobicContact CG2-CB 3.92Å; V90-K128 HydrophobicContact CG2-CD 4.27Å; V90-K128 HydrophobicContact CG2-CG 3.66Å; V90-I131 HydrophobicContact CG1-CB 4.49Å; V90-I131 HydrophobicContact CG1-CG2 3.77Å; V90-I131 HydrophobicContact CG2-CD1 4.01Å; V90-I131 HydrophobicContact CG2-CG2 4.49Å; V90-L132 HydrophobicContact CG1-CD1 4.35Å; V90-L132 HydrophobicContact CG1-CD2 3.63Å; V90-L132 HydrophobicContact CG1-CG 3.9Å
91	L	97.9	Very high	96.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-46.9	174.6	-66.5	172.1	0	0	0	111.2	M7 F87 V88 K93 Y94 F95 V98 V110 I113	M7-L91 HydrophobicContact CE-CD1 4.03Å; F87-L91 HydrophobicContact CD1-CD1 4.26Å; F87-L91 HydrophobicContact CD2-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.37Å; F87-L91 HydrophobicContact CE1-CD1 3.83Å; F87-L91 HydrophobicContact CE2-CD1 3.95Å; F87-L91 HydrophobicContact CE2-CD2 4.16Å; F87-L91 HydrophobicContact CE2-CG 4.05Å; F87-L91 HydrophobicContact CZ-CD1 3.66Å; F87-L91 HydrophobicContact CZ-CD2 4.4Å; F87-L91 HydrophobicContact CZ-CG 4.26Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 2.96Å; V88-L91 PolarHBondContact O-N 2.91Å; L91-K93 VanDerWaalsContact C-N 3.29Å; L91-K93 PolarHBondContact O-N 3.41Å; L91-Y94 PolarHBondContact O-N 3.17Å; L91-Y94 VanDerWaalsContact O-N 3.16Å; L91-F95 HydrophobicContact CB-CD2 4.38Å; L91-F95 HydrophobicContact CD2-CE2 3.94Å; L91-F95 VanDerWaalsContact O-CD2 3.24Å; L91-F95 WeakPolarHBondContact O-CD2 3.45Å; L91-F95 PolarHBondContact O-N 3.3Å; L91-V98 HydrophobicContact CB-CB 4.38Å; L91-V98 HydrophobicContact CB-CG1 4.33Å; L91-V98 HydrophobicContact CB-CG2 4.2Å; L91-V110 HydrophobicContact CD2-CB 4.34Å; L91-V110 HydrophobicContact CD2-CG1 4.03Å; L91-V110 HydrophobicContact CD2-CG2 3.85Å; L91-I113 HydrophobicContact CD2-CD1 3.76Å
92	D	96.8	Very high	96.6	Very high	76 Å²	76	55.1 Å²	55.1	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-39.1	179.3	-166.8	67.7	0	0	0	112.3	V88 S96 R97 V98	V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.28Å; D92-S96 WeakPolarHBondContact O-CA 3.4Å; D92-S96 PolarHBondContact O-N 2.9Å; D92-R97 PolarHBondContact O-N 3.44Å; D92-R97 VanDerWaalsContact OD1-CA 3.25Å; D92-R97 WeakPolarHBondContact OD1-CA 3.43Å; D92-V98 HydrophobicContact CB-CG1 4.06Å; D92-V98 PolarHBondContact OD1-N 2.93Å; D92-V98 VanDerWaalsContact OD1-N 3.14Å
93	K	96.9	Very high	96.5	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	25%	0.25	S	C	.	.	H	α-helix	trans	-67	-40	175.1	-178.2	175.9	176.3	-174.6	0	112.4	E89 V90 L91 K128 S129 L132	E89-K93 WeakPolarHBondContact O-CB 3.16Å; E89-K93 PolarHBondContact O-N 3.45Å; V90-K93 PolarHBondContact O-N 2.95Å; L91-K93 VanDerWaalsContact C-N 3.29Å; L91-K93 PolarHBondContact O-N 3.41Å; K93-K128 HydrophobicContact CD-CB 4.49Å; K93-S129 PolarHBondContact NZ-OG 2.82Å; K93-L132 HydrophobicContact CB-CD1 4.25Å; K93-L132 HydrophobicContact CD-CD1 3.74Å; K93-L132 HydrophobicContact CG-CD1 3.86Å
94	Y	97.3	Very high	96.3	Very high	49 Å²	49	53.3 Å²	53.3	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-69.8	-48.3	179.7	-176.7	-114.9	0	0	0	111.6	V90 L91 S96 I113 L132 L135 D139	V90-Y94 PolarHBondContact O-N 3.34Å; L91-Y94 PolarHBondContact O-N 3.17Å; L91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-S96 PolarHBondContact O-N 2.98Å; Y94-I113 HydrophobicContact CD1-CD1 4.2Å; Y94-I113 HydrophobicContact CG-CD1 4.28Å; Y94-L132 HydrophobicContact CD2-CD2 3.96Å; Y94-L132 HydrophobicContact CG-CD2 4.11Å; Y94-L135 HydrophobicContact CD1-CD1 4.38Å; Y94-L135 HydrophobicContact CD2-CB 4.46Å; Y94-L135 HydrophobicContact CD2-CD1 4.03Å; Y94-L135 HydrophobicContact CE1-CD1 4.16Å; Y94-L135 HydrophobicContact CE2-CB 3.82Å; Y94-L135 HydrophobicContact CE2-CD1 3.81Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.32Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 PolarHBondContact OH-OD1 3.24Å; Y94-D139 PolarHBondContact OH-OD2 3.33Å
95	F	95.8	Very high	96.2	Very high	35 Å²	35	61 Å²	61	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-85.4	-4.3	-176.7	-65.3	-66.6	0	0	0	114.4	L91 V98 D102 N106 V110	L91-F95 HydrophobicContact CB-CD2 4.38Å; L91-F95 HydrophobicContact CD2-CE2 3.94Å; L91-F95 VanDerWaalsContact O-CD2 3.24Å; L91-F95 WeakPolarHBondContact O-CD2 3.45Å; L91-F95 PolarHBondContact O-N 3.3Å; F95-V98 HydrophobicContact CB-CB 4.12Å; F95-V98 HydrophobicContact CB-CG2 4.4Å; F95-V98 HydrophobicContact CD2-CB 4.09Å; F95-V98 HydrophobicContact CD2-CG2 3.63Å; F95-V98 HydrophobicContact CE2-CG2 4.32Å; F95-V98 HydrophobicContact CG-CG2 4.3Å; F95-D102 HydrophobicContact CB-CB 4.46Å; F95-D102 HydrophobicContact CD1-CB 3.9Å; F95-D102 HydrophobicContact CD2-CB 4.46Å; F95-D102 HydrophobicContact CE1-CB 4.24Å; F95-D102 HydrophobicContact CG-CB 4.03Å; F95-N106 HydrophobicContact CE1-CB 3.69Å; F95-N106 HydrophobicContact CZ-CB 3.76Å; F95-V110 HydrophobicContact CE2-CG2 4.07Å; F95-V110 HydrophobicContact CZ-CG2 4.1Å
96	S	93.6	Very high	96.1	Very high	99 Å²	99	62.3 Å²	62.3	69%	0.692	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	56.5	-176.7	-60.6	0	0	0	0	113	D92 Y94	D92-S96 WeakPolarHBondContact O-CA 3.4Å; D92-S96 PolarHBondContact O-N 2.9Å; Y94-S96 PolarHBondContact O-N 2.98Å
97	R	90.9	Very high	96	Very high	213 Å²	213	64 Å²	64	80%	0.804	32%	0.316	S	S	*	.	S	Bend	trans	92.7	87.9	-166.2	-59.6	172	179.8	178.1	0.9	112.6	D92	D92-R97 PolarHBondContact O-N 3.44Å; D92-R97 VanDerWaalsContact OD1-CA 3.25Å; D92-R97 WeakPolarHBondContact OD1-CA 3.43Å
98	V	94.4	Very high	95.9	Very high	39 Å²	39	70.1 Å²	70.1	24%	0.236	35%	0.349	C	S	.	.			trans	-71.8	135.1	-177.3	64.6	0	0	0	0	112.3	L91 D92 F95 I103	L91-V98 HydrophobicContact CB-CB 4.38Å; L91-V98 HydrophobicContact CB-CG1 4.33Å; L91-V98 HydrophobicContact CB-CG2 4.2Å; D92-V98 HydrophobicContact CB-CG1 4.06Å; D92-V98 PolarHBondContact OD1-N 2.93Å; D92-V98 VanDerWaalsContact OD1-N 3.14Å; F95-V98 HydrophobicContact CB-CB 4.12Å; F95-V98 HydrophobicContact CB-CG2 4.4Å; F95-V98 HydrophobicContact CD2-CB 4.09Å; F95-V98 HydrophobicContact CD2-CG2 3.63Å; F95-V98 HydrophobicContact CE2-CG2 4.32Å; F95-V98 HydrophobicContact CG-CG2 4.3Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å
99	S	94.3	Very high	95.9	Very high	49 Å²	49	70 Å²	70	34%	0.343	35%	0.349	S	S	.	.			trans	-116.3	165.9	167.9	75.9	0	0	0	0	112.2	L101 D102 I103	S99-L101 PolarHBondContact O-N 3.16Å; S99-L101 PolarHBondContact OG-N 3.48Å; S99-D102 WeakPolarHBondContact CA-OD2 3.3Å; S99-D102 VanDerWaalsContact CB-OD2 3.27Å; S99-D102 WeakPolarHBondContact CB-OD2 3.43Å; S99-D102 PolarHBondContact N-OD2 2.97Å; S99-D102 PolarHBondContact O-N 3.46Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 3.03Å; S99-D102 PolarHBondContact OG-OD2 3.29Å; S99-I103 WeakPolarHBondContact O-CG1 3.38Å; S99-I103 PolarHBondContact O-N 3.25Å
100	E	94.7	Very high	95.9	Very high	50 Å²	50	66.5 Å²	66.5	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-36.6	173	175.3	176.2	177	0	0	112	N9 R15 L65 I103 M104	N9-E100 WeakPolarHBondContact CB-OE1 3.36Å; N9-E100 PolarHBondContact ND2-OE1 3.23Å; R15-E100 HydrophobicContact CG-CG 4.44Å; R15-E100 IonicContact CZ-OE1 2.77Å; R15-E100 IonicContact NE-OE1 3.39Å; R15-E100 PolarHBondContact NE-OE1 3.44Å; R15-E100 IonicContact NH2-OE1 2.71Å; R15-E100 PolarHBondContact NH2-OE1 3.42Å; L65-E100 HydrophobicContact CD1-CB 4.18Å; L65-E100 HydrophobicContact CD2-CB 4.17Å; L65-E100 HydrophobicContact CD2-CG 3.99Å; L65-E100 HydrophobicContact CG-CB 4.34Å; E100-I103 PolarHBondContact O-N 3.09Å; E100-M104 HydrophobicContact CG-SD 4.13Å; E100-M104 WeakPolarHBondContact O-CG 3.37Å; E100-M104 PolarHBondContact O-N 3.42Å; E100-M104 VanDerWaalsContact O-N 3.09Å
101	L	94.9	Very high	95.8	Very high	104 Å²	104	69 Å²	69	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-41.7	178.7	-70.6	176.8	0	0	0	111.6	S99 I103 M104 F105	S99-L101 PolarHBondContact O-N 3.16Å; S99-L101 PolarHBondContact OG-N 3.48Å; L101-I103 PolarHBondContact O-N 3.23Å; L101-M104 PolarHBondContact O-N 3.02Å; L101-M104 VanDerWaalsContact O-N 3.1Å; L101-F105 HydrophobicContact CB-CD2 4.24Å; L101-F105 HydrophobicContact CB-CE2 4.28Å; L101-F105 HydrophobicContact CD2-CE2 4.19Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.34Å
102	D	95.7	Very high	95.9	Very high	51 Å²	51	71.5 Å²	71.5	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-40.6	178.6	-57.8	-49.1	0	0	0	111.2	F95 S99 F105 N106	F95-D102 HydrophobicContact CB-CB 4.46Å; F95-D102 HydrophobicContact CD1-CB 3.9Å; F95-D102 HydrophobicContact CD2-CB 4.46Å; F95-D102 HydrophobicContact CE1-CB 4.24Å; F95-D102 HydrophobicContact CG-CB 4.03Å; S99-D102 WeakPolarHBondContact CA-OD2 3.3Å; S99-D102 VanDerWaalsContact CB-OD2 3.27Å; S99-D102 WeakPolarHBondContact CB-OD2 3.43Å; S99-D102 PolarHBondContact N-OD2 2.97Å; S99-D102 PolarHBondContact O-N 3.46Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 3.03Å; S99-D102 PolarHBondContact OG-OD2 3.29Å; D102-F105 PolarHBondContact O-N 3.2Å; D102-N106 WeakPolarHBondContact O-CB 3.48Å; D102-N106 PolarHBondContact O-N 3.48Å; D102-N106 PolarHBondContact O-ND2 3.18Å
103	I	95.7	Very high	95.9	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-46.1	175.8	-62.6	171.4	0	0	0	110.6	M7 L65 V98 S99 E100 L101 N106 L107 V110	M7-I103 HydrophobicContact CE-CD1 3.97Å; M7-I103 HydrophobicContact SD-CD1 3.46Å; M7-I103 WeakPolarHBondContact SD-CD1 3.5Å; M7-I103 HydrophobicContact SD-CG2 4.07Å; L65-I103 HydrophobicContact CD1-CD1 3.68Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å; S99-I103 WeakPolarHBondContact O-CG1 3.38Å; S99-I103 PolarHBondContact O-N 3.25Å; E100-I103 PolarHBondContact O-N 3.09Å; L101-I103 PolarHBondContact O-N 3.23Å; I103-N106 PolarHBondContact O-N 3.3Å; I103-L107 HydrophobicContact CG2-CD2 4.31Å; I103-L107 VanDerWaalsContact O-CD2 3.25Å; I103-L107 WeakPolarHBondContact O-CD2 3.35Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 3.46Å; I103-V110 HydrophobicContact CG2-CG2 4.21Å
104	M	94.7	Very high	96	Very high	80 Å²	80	62.9 Å²	62.9	39%	0.394	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-37	-179.5	-72.6	178.2	64.7	0	0	113.3	R15 E100 L101	R15-M104 PolarHBondContact NE-SD 3.38Å; E100-M104 HydrophobicContact CG-SD 4.13Å; E100-M104 WeakPolarHBondContact O-CG 3.37Å; E100-M104 PolarHBondContact O-N 3.42Å; E100-M104 VanDerWaalsContact O-N 3.09Å; L101-M104 PolarHBondContact O-N 3.02Å; L101-M104 VanDerWaalsContact O-N 3.1Å
105	F	95.9	Very high	96	Very high	163 Å²	163	63.2 Å²	63.2	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-80.8	-24.4	-179.8	-76.9	-66.8	0	0	0	113.1	L101 D102	L101-F105 HydrophobicContact CB-CD2 4.24Å; L101-F105 HydrophobicContact CB-CE2 4.28Å; L101-F105 HydrophobicContact CD2-CE2 4.19Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.34Å; D102-F105 PolarHBondContact O-N 3.2Å
106	N	96.3	Very high	96.2	Very high	63 Å²	63	64.6 Å²	64.6	34%	0.337	33%	0.328	S	S	.	.			trans	-121.3	41.6	-174.7	-55.5	-81.3	0	0	0	112.2	F95 D102 I103 D108 S109 V110	F95-N106 HydrophobicContact CE1-CB 3.69Å; F95-N106 HydrophobicContact CZ-CB 3.76Å; D102-N106 WeakPolarHBondContact O-CB 3.48Å; D102-N106 PolarHBondContact O-N 3.48Å; D102-N106 PolarHBondContact O-ND2 3.18Å; I103-N106 PolarHBondContact O-N 3.3Å; N106-D108 PolarHBondContact O-N 3.48Å; N106-S109 PolarHBondContact O-N 3.22Å; N106-S109 VanDerWaalsContact O-N 3.11Å; N106-V110 WeakPolarHBondContact O-CG2 3.33Å; N106-V110 PolarHBondContact O-N 2.66Å; N106-V110 VanDerWaalsContact O-N 3.08Å
107	L	96.7	Very high	96.4	Very high	61 Å²	61	60 Å²	60	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-35.8	-176	-76.8	174.2	0	0	0	113.4	R15 I103 V110 H111	R15-L107 WeakPolarHBondContact O-CD2 3.46Å; I103-L107 HydrophobicContact CG2-CD2 4.31Å; I103-L107 VanDerWaalsContact O-CD2 3.25Å; I103-L107 WeakPolarHBondContact O-CD2 3.35Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 3.46Å; L107-V110 PolarHBondContact O-N 3.14Å; L107-H111 PolarHBondContact O-CD2 3.28Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 2.83Å
108	D	96.6	Very high	96.8	Very high	132 Å²	132	50 Å²	50	71%	0.706	26%	0.258	S	S	*	.	H	α-helix	trans	-61.5	-46.1	177.2	-65.1	-31.5	0	0	0	111	N106 V110 H111 I112	N106-D108 PolarHBondContact O-N 3.48Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.03Å; D108-H111 PolarHBondContact O-N 3.46Å; D108-I112 WeakPolarHBondContact O-CG1 3.5Å; D108-I112 PolarHBondContact O-N 2.96Å
109	S	97.4	Very high	96.9	Very high	20 Å²	20	53 Å²	53	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-38.9	175.7	-53.2	0	0	0	0	112.1	N106 I112 I113	N106-S109 PolarHBondContact O-N 3.22Å; N106-S109 VanDerWaalsContact O-N 3.11Å; S109-I112 PolarHBondContact O-N 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.07Å; S109-I113 PolarHBondContact O-N 2.89Å
110	V	98.3	Very high	97	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-40.3	175.8	179	0	0	0	0	111.5	L16 F87 L91 F95 I103 N106 L107 D108 I113 L114	L16-V110 HydrophobicContact CD1-CG1 3.99Å; L16-V110 HydrophobicContact CD2-CG1 3.75Å; L16-V110 HydrophobicContact CG-CG1 4.45Å; F87-V110 HydrophobicContact CE2-CG1 4.43Å; F87-V110 HydrophobicContact CZ-CG1 3.92Å; L91-V110 HydrophobicContact CD2-CB 4.34Å; L91-V110 HydrophobicContact CD2-CG1 4.03Å; L91-V110 HydrophobicContact CD2-CG2 3.85Å; F95-V110 HydrophobicContact CE2-CG2 4.07Å; F95-V110 HydrophobicContact CZ-CG2 4.1Å; I103-V110 HydrophobicContact CG2-CG2 4.21Å; N106-V110 WeakPolarHBondContact O-CG2 3.33Å; N106-V110 PolarHBondContact O-N 2.66Å; N106-V110 VanDerWaalsContact O-N 3.08Å; L107-V110 PolarHBondContact O-N 3.14Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.03Å; V110-I113 PolarHBondContact O-N 2.6Å; V110-L114 PolarHBondContact O-N 3.39Å
111	H	98.2	Very high	97.1	Very high	53 Å²	53	54.9 Å²	54.9	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-40.7	174.6	-84.8	-62.7	0	0	0	112.2	L16 L107 D108 L114 D115	L16-H111 WeakPolarHBondContact CD1-CE1 3.45Å; L16-H111 WeakPolarHBondContact CD1-NE2 3.27Å; L107-H111 PolarHBondContact O-CD2 3.28Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 2.83Å; D108-H111 PolarHBondContact O-N 3.46Å; H111-L114 PolarHBondContact O-N 3.1Å; H111-D115 WeakPolarHBondContact O-CB 2.95Å; H111-D115 VanDerWaalsContact O-CG 3.29Å; H111-D115 PolarHBondContact O-N 3Å
112	I	98.1	Very high	97.2	Very high	54 Å²	54	54.5 Å²	54.5	28%	0.277	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-47.3	174.6	-69.4	164.2	0	0	0	110.5	D108 S109 L114 D115 E116 L135 I138	D108-I112 WeakPolarHBondContact O-CG1 3.5Å; D108-I112 PolarHBondContact O-N 2.96Å; S109-I112 PolarHBondContact O-N 3.22Å; I112-L114 VanDerWaalsContact C-N 3.27Å; I112-L114 PolarHBondContact O-N 2.98Å; I112-D115 PolarHBondContact O-N 3.3Å; I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.26Å; I112-L135 HydrophobicContact CB-CD2 4.04Å; I112-L135 HydrophobicContact CB-CG 4.49Å; I112-L135 HydrophobicContact CD1-CD2 3.83Å; I112-L135 HydrophobicContact CG2-CD2 3.82Å; I112-L135 HydrophobicContact CG2-CG 3.9Å; I112-I138 HydrophobicContact CD1-CD1 4.23Å
113	I	98.5	Very high	97.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-45.9	175.9	-72.8	164.5	0	0	0	110.7	F87 V90 L91 Y94 S109 V110 D115 E116 M117 I131 L132 L135	F87-I113 HydrophobicContact CD2-CG2 3.9Å; F87-I113 HydrophobicContact CE2-CG2 3.83Å; V90-I113 HydrophobicContact CB-CG2 4.28Å; V90-I113 HydrophobicContact CG1-CD1 4.26Å; V90-I113 HydrophobicContact CG1-CG1 4.25Å; V90-I113 HydrophobicContact CG1-CG2 3.57Å; L91-I113 HydrophobicContact CD2-CD1 3.76Å; Y94-I113 HydrophobicContact CD1-CD1 4.2Å; Y94-I113 HydrophobicContact CG-CD1 4.28Å; S109-I113 WeakPolarHBondContact O-CG1 3.07Å; S109-I113 PolarHBondContact O-N 2.89Å; V110-I113 PolarHBondContact O-N 2.6Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-E116 PolarHBondContact O-N 3.34Å; I113-M117 HydrophobicContact CG2-SD 4.09Å; I113-M117 VanDerWaalsContact O-CG 3.3Å; I113-M117 WeakPolarHBondContact O-CG 3.44Å; I113-M117 PolarHBondContact O-N 3.08Å; I113-M117 VanDerWaalsContact O-N 3.17Å; I113-I131 HydrophobicContact CG2-CG2 3.98Å; I113-L132 HydrophobicContact CD1-CD2 4.12Å; I113-L132 HydrophobicContact CG1-CD2 4.18Å; I113-L135 HydrophobicContact CD1-CD1 3.68Å; I113-L135 HydrophobicContact CG1-CD1 3.44Å; I113-L135 VanDerWaalsContact CG1-CD1 3.44Å
114	L	98.3	Very high	97.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-38.1	-178.3	-166.9	66.6	0	0	0	112	V5 L16 K18 F87 V110 H111 I112 M117 I118	V5-L114 HydrophobicContact CB-CD2 4.15Å; V5-L114 HydrophobicContact CG1-CD1 4.32Å; V5-L114 HydrophobicContact CG1-CD2 4.23Å; V5-L114 HydrophobicContact CG2-CD1 4.47Å; L16-L114 HydrophobicContact CD2-CD2 4.28Å; K18-L114 HydrophobicContact CB-CD2 3.61Å; K18-L114 HydrophobicContact CG-CD2 3.96Å; F87-L114 HydrophobicContact CD2-CD1 4.16Å; F87-L114 HydrophobicContact CE2-CB 4.28Å; F87-L114 HydrophobicContact CE2-CD1 3.98Å; F87-L114 HydrophobicContact CZ-CD1 4.19Å; V110-L114 PolarHBondContact O-N 3.39Å; H111-L114 PolarHBondContact O-N 3.1Å; I112-L114 VanDerWaalsContact C-N 3.27Å; I112-L114 PolarHBondContact O-N 2.98Å; L114-M117 PolarHBondContact O-N 3.13Å; L114-I118 HydrophobicContact CD1-CD1 3.77Å; L114-I118 HydrophobicContact CG-CD1 4.47Å; L114-I118 PolarHBondContact O-N 3.03Å
115	D	98.1	Very high	97.6	Very high	56 Å²	56	56.8 Å²	56.8	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-27.9	179	-73.8	-11.9	0	0	0	112.8	K18 H111 I112 I113 Q119	K18-D115 WeakPolarHBondContact CE-OD1 3.47Å; K18-D115 IonicContact NZ-OD1 3.1Å; K18-D115 PolarHBondContact NZ-OD1 2.85Å; K18-D115 IonicContact NZ-OD2 3.61Å; K18-D115 PolarHBondContact NZ-OD2 3.1Å; H111-D115 WeakPolarHBondContact O-CB 2.95Å; H111-D115 VanDerWaalsContact O-CG 3.29Å; H111-D115 PolarHBondContact O-N 3Å; I112-D115 PolarHBondContact O-N 3.3Å; I113-D115 VanDerWaalsContact C-N 3.35Å; D115-Q119 VanDerWaalsContact O-CG 3.28Å; D115-Q119 WeakPolarHBondContact O-CG 3.5Å; D115-Q119 PolarHBondContact O-NE2 3.36Å
116	E	98.4	Very high	97.7	Very high	64 Å²	64	53.2 Å²	53.2	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-71.6	-30.9	168.8	-72.7	-60.9	130.8	0	0	112	I112 I113 V124 E125 I131 P134	I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.26Å; I113-E116 PolarHBondContact O-N 3.34Å; E116-V124 WeakPolarHBondContact O-CG2 3.37Å; E116-E125 WeakPolarHBondContact O-CB 3.4Å; E116-I131 HydrophobicContact CB-CB 4.46Å; E116-I131 HydrophobicContact CB-CG2 3.99Å; E116-P134 HydrophobicContact CG-CG 4.1Å
117	M	98.6	Very high	97.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-84.7	-37.5	-179.3	-69.5	-177.7	68.5	0	0	113.2	L83 N86 F87 V90 I113 L114 V124 I131	L83-M117 HydrophobicContact CD1-CE 3.74Å; N86-M117 HydrophobicContact CB-CE 4.19Å; F87-M117 HydrophobicContact CB-CE 3.91Å; F87-M117 HydrophobicContact CB-SD 4.05Å; F87-M117 HydrophobicContact CD2-SD 3.85Å; F87-M117 HydrophobicContact CG-SD 4.44Å; V90-M117 HydrophobicContact CG2-SD 4.43Å; I113-M117 HydrophobicContact CG2-SD 4.09Å; I113-M117 VanDerWaalsContact O-CG 3.3Å; I113-M117 WeakPolarHBondContact O-CG 3.44Å; I113-M117 PolarHBondContact O-N 3.08Å; I113-M117 VanDerWaalsContact O-N 3.17Å; L114-M117 PolarHBondContact O-N 3.13Å; M117-V124 PolarHBondContact O-N 2.98Å; M117-I131 HydrophobicContact CE-CD1 4.37Å; M117-I131 HydrophobicContact CG-CD1 3.51Å; M117-I131 HydrophobicContact CG-CG1 3.87Å; M117-I131 HydrophobicContact CG-CG2 3.91Å; M117-I131 HydrophobicContact SD-CD1 4.03Å; M117-I131 HydrophobicContact SD-CG2 4.41Å
118	I	98.5	Very high	97.9	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.2	-170.1	-51.2	169.1	0	0	0	109.8	I2 V5 Y20 L83 L114 H122	I2-I118 HydrophobicContact CD1-CD1 4.03Å; I2-I118 HydrophobicContact CD1-CG1 4.3Å; I2-I118 HydrophobicContact CD1-CG2 4.01Å; V5-I118 HydrophobicContact CG2-CD1 3.96Å; Y20-I118 HydrophobicContact CD1-CG2 4.25Å; Y20-I118 HydrophobicContact CD2-CG2 4.43Å; Y20-I118 HydrophobicContact CE1-CB 4.15Å; Y20-I118 HydrophobicContact CE1-CG2 3.63Å; Y20-I118 HydrophobicContact CE2-CG2 3.84Å; Y20-I118 VanDerWaalsContact CZ-CG2 3.4Å; Y20-I118 WeakPolarHBondContact OH-CB 3.32Å; L83-I118 HydrophobicContact CD2-CD1 3.87Å; L83-I118 HydrophobicContact CD2-CG1 4.2Å; L114-I118 HydrophobicContact CD1-CD1 3.77Å; L114-I118 HydrophobicContact CG-CD1 4.47Å; L114-I118 PolarHBondContact O-N 3.03Å; I118-H122 CarbonylContact C-O 3.54Å; I118-H122 VanDerWaalsContact CA-O 3.27Å; I118-H122 WeakPolarHBondContact CA-O 3.27Å; I118-H122 WeakPolarHBondContact CG2-O 3.47Å
119	Q	97	Very high	97.9	Very high	102 Å²	102	51.3 Å²	51.3	48%	0.477	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.7	174.4	-65.7	-174.7	-5.7	0	0	110.5	D115 G121 H122 V124	D115-Q119 VanDerWaalsContact O-CG 3.28Å; D115-Q119 WeakPolarHBondContact O-CG 3.5Å; D115-Q119 PolarHBondContact O-NE2 3.36Å; Q119-G121 PolarHBondContact O-N 3.13Å; Q119-H122 PolarHBondContact N-O 3.2Å; Q119-H122 PolarHBondContact O-N 3.15Å; Q119-V124 HydrophobicContact CB-CG1 3.95Å; Q119-V124 HydrophobicContact CB-CG2 4.27Å; Q119-V124 HydrophobicContact CG-CG1 4.39Å; Q119-V124 HydrophobicContact CG-CG2 3.85Å
120	N	95.9	Very high	97.9	Very high	138 Å²	138	58.1 Å²	58.1	74%	0.738	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	35.2	-179	-62.1	-30.8	0	0	0	113.6	H122	N120-H122 VanDerWaalsContact C-N 3.33Å; N120-H122 PolarHBondContact O-CD2 3.43Å; N120-H122 PolarHBondContact O-N 3.46Å
121	G	97.2	Very high	98	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	14.9	-179.6	0	0	0	0	0	114.9	I2 Q119	I2-G121 WeakPolarHBondContact CB-O 3.44Å; I2-G121 PolarHBondContact N-O 3.26Å; I2-G121 WeakPolarHBondContact O-CA 3.31Å; Q119-G121 PolarHBondContact O-N 3.13Å
122	H	97.5	Very high	98	Very high	96 Å²	96	56.2 Å²	56.2	44%	0.444	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.9	177.8	-61.9	-75.8	0	0	0	111.2	I118 Q119 N120 V124	I118-H122 CarbonylContact C-O 3.54Å; I118-H122 VanDerWaalsContact CA-O 3.27Å; I118-H122 WeakPolarHBondContact CA-O 3.27Å; I118-H122 WeakPolarHBondContact CG2-O 3.47Å; Q119-H122 PolarHBondContact N-O 3.2Å; Q119-H122 PolarHBondContact O-N 3.15Å; N120-H122 VanDerWaalsContact C-N 3.33Å; N120-H122 PolarHBondContact O-CD2 3.43Å; N120-H122 PolarHBondContact O-N 3.46Å; H122-V124 PolarHBondContact O-N 3.42Å
123	I	98	Very high	97.9	Very high	67 Å²	67	56.2 Å²	56.2	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.7	174.1	-54.2	171.3	0	0	0	108	I2 I80 L83 T126	I2-I123 HydrophobicContact CD1-CG1 4.04Å; I80-I123 HydrophobicContact CD1-CD1 4.47Å; L83-I123 HydrophobicContact CB-CD1 4.29Å; L83-I123 HydrophobicContact CD1-CD1 4.15Å; L83-I123 HydrophobicContact CD1-CG1 4.1Å; L83-I123 HydrophobicContact CD1-CG2 4.03Å; L83-I123 HydrophobicContact CD2-CD1 3.86Å; L83-I123 HydrophobicContact CD2-CG1 3.77Å; L83-I123 HydrophobicContact CG-CD1 4.33Å; L83-I123 HydrophobicContact CG-CG1 4.47Å; I123-T126 HydrophobicContact CG2-CG2 3.8Å
124	V	98.1	Very high	97.8	Very high	76 Å²	76	58.2 Å²	58.2	46%	0.461	31%	0.307	S	S	.	.			trans	-117	-28.3	-177.3	-64.5	0	0	0	0	113.8	E116 M117 Q119 H122	E116-V124 WeakPolarHBondContact O-CG2 3.37Å; M117-V124 PolarHBondContact O-N 2.98Å; Q119-V124 HydrophobicContact CB-CG1 3.95Å; Q119-V124 HydrophobicContact CB-CG2 4.27Å; Q119-V124 HydrophobicContact CG-CG1 4.39Å; Q119-V124 HydrophobicContact CG-CG2 3.85Å; H122-V124 PolarHBondContact O-N 3.42Å
125	E	98.4	Very high	97.7	Very high	40 Å²	40	58.2 Å²	58.2	19%	0.187	31%	0.307	C	S	.	.			trans	-143.5	140.6	176.8	-174.4	55.9	-91.8	0	0	110.5	E116 N127 R130 I131	E116-E125 WeakPolarHBondContact O-CB 3.4Å; E125-N127 VanDerWaalsContact OE1-CB 3.23Å; E125-N127 WeakPolarHBondContact OE1-CB 3.23Å; E125-N127 PolarHBondContact OE1-N 3.23Å; E125-R130 HydrophobicContact CG-CB 4.02Å; E125-R130 WeakPolarHBondContact OE2-CD 3.38Å; E125-R130 IonicContact OE2-NH1 2.6Å; E125-R130 PolarHBondContact OE2-NH1 3.39Å; E125-I131 HydrophobicContact CB-CG1 4.18Å; E125-I131 HydrophobicContact CG-CD1 4.35Å; E125-I131 HydrophobicContact CG-CG1 3.68Å
126	T	98.2	Very high	97.5	Very high	87 Å²	87	58.5 Å²	58.5	53%	0.534	31%	0.311	S	S	.	.			trans	-126.8	-12.7	178.9	60.2	0	0	0	0	112.2	N86 I123 K128	N86-T126 PolarHBondContact ND2-O 3.03Å; I123-T126 HydrophobicContact CG2-CG2 3.8Å; T126-K128 PolarHBondContact O-N 2.78Å
127	N	98.4	Very high	97.3	Very high	76 Å²	76	57.9 Å²	57.9	41%	0.406	32%	0.317	S	S	.	.			trans	-75.8	110.1	176.4	-171.8	-64.5	0	0	0	111.2	E125 S129 R130 I131	E125-N127 VanDerWaalsContact OE1-CB 3.23Å; E125-N127 WeakPolarHBondContact OE1-CB 3.23Å; E125-N127 PolarHBondContact OE1-N 3.23Å; N127-S129 PolarHBondContact O-N 3.24Å; N127-S129 VanDerWaalsContact O-N 3.1Å; N127-S129 WeakPolarHBondContact OD1-CB 3.49Å; N127-S129 PolarHBondContact OD1-N 3.1Å; N127-R130 HydrophobicContact CB-CB 4.26Å; N127-R130 HydrophobicContact CB-CG 4.24Å; N127-R130 PolarHBondContact O-N 3.03Å; N127-R130 PolarHBondContact OD1-N 3.17Å; N127-I131 WeakPolarHBondContact O-CG1 3.27Å; N127-I131 PolarHBondContact O-N 2.87Å
128	K	97.8	Very high	97	Very high	65 Å²	65	61.9 Å²	61.9	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-52.8	-34.7	-178.8	-52.4	-174.5	-178.1	165.4	0	114.4	N86 E89 V90 K93 T126 L132	N86-K128 WeakPolarHBondContact OD1-CE 3.17Å; E89-K128 HydrophobicContact CB-CD 4.47Å; E89-K128 VanDerWaalsContact OE2-CE 3.25Å; E89-K128 WeakPolarHBondContact OE2-CE 3.29Å; E89-K128 IonicContact OE2-NZ 2.66Å; E89-K128 PolarHBondContact OE2-NZ 2.99Å; V90-K128 HydrophobicContact CG2-CB 3.92Å; V90-K128 HydrophobicContact CG2-CD 4.27Å; V90-K128 HydrophobicContact CG2-CG 3.66Å; K93-K128 HydrophobicContact CD-CB 4.49Å; T126-K128 PolarHBondContact O-N 2.78Å; K128-L132 WeakPolarHBondContact O-CB 3.17Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.34Å; K128-L132 PolarHBondContact O-N 2.95Å
129	S	97.1	Very high	96.6	Very high	75 Å²	75	64.5 Å²	64.5	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-32.4	-179.3	-60.7	0	0	0	0	112.1	K93 N127 A133	K93-S129 PolarHBondContact NZ-OG 2.82Å; N127-S129 PolarHBondContact O-N 3.24Å; N127-S129 VanDerWaalsContact O-N 3.1Å; N127-S129 WeakPolarHBondContact OD1-CB 3.49Å; N127-S129 PolarHBondContact OD1-N 3.1Å; S129-A133 PolarHBondContact O-N 3.5Å
130	R	98.1	Very high	96.4	Very high	164 Å²	164	67 Å²	67	62%	0.619	36%	0.361	S	S	*	.	H	α-helix	trans	-74.2	-44.2	174.6	-69.7	-176.9	171.4	-174.5	-2.3	111.5	E125 N127 L132 A133	E125-R130 HydrophobicContact CG-CB 4.02Å; E125-R130 WeakPolarHBondContact OE2-CD 3.38Å; E125-R130 IonicContact OE2-NH1 2.6Å; E125-R130 PolarHBondContact OE2-NH1 3.39Å; N127-R130 HydrophobicContact CB-CB 4.26Å; N127-R130 HydrophobicContact CB-CG 4.24Å; N127-R130 PolarHBondContact O-N 3.03Å; N127-R130 PolarHBondContact OD1-N 3.17Å; R130-L132 PolarHBondContact O-N 3.26Å; R130-A133 VanDerWaalsContact O-CB 3.31Å; R130-A133 WeakPolarHBondContact O-CB 3.42Å; R130-A133 PolarHBondContact O-N 3.16Å
131	I	98.6	Very high	96	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-55.2	-39.2	176.7	-64.6	159.8	0	0	0	111.5	V90 I113 E116 M117 E125 N127 P134	V90-I131 HydrophobicContact CG1-CB 4.49Å; V90-I131 HydrophobicContact CG1-CG2 3.77Å; V90-I131 HydrophobicContact CG2-CD1 4.01Å; V90-I131 HydrophobicContact CG2-CG2 4.49Å; I113-I131 HydrophobicContact CG2-CG2 3.98Å; E116-I131 HydrophobicContact CB-CB 4.46Å; E116-I131 HydrophobicContact CB-CG2 3.99Å; M117-I131 HydrophobicContact CE-CD1 4.37Å; M117-I131 HydrophobicContact CG-CD1 3.51Å; M117-I131 HydrophobicContact CG-CG1 3.87Å; M117-I131 HydrophobicContact CG-CG2 3.91Å; M117-I131 HydrophobicContact SD-CD1 4.03Å; M117-I131 HydrophobicContact SD-CG2 4.41Å; E125-I131 HydrophobicContact CB-CG1 4.18Å; E125-I131 HydrophobicContact CG-CD1 4.35Å; E125-I131 HydrophobicContact CG-CG1 3.68Å; N127-I131 WeakPolarHBondContact O-CG1 3.27Å; N127-I131 PolarHBondContact O-N 2.87Å; I131-P134 WeakPolarHBondContact O-CD 3.33Å
132	L	98.3	Very high	95.3	Very high	13 Å²	13	71.7 Å²	71.7	7%	0.068	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6	-178.7	-65.9	174.6	0	0	0	114.3	V90 K93 Y94 I113 K128 R130 L135 T136	V90-L132 HydrophobicContact CG1-CD1 4.35Å; V90-L132 HydrophobicContact CG1-CD2 3.63Å; V90-L132 HydrophobicContact CG1-CG 3.9Å; K93-L132 HydrophobicContact CB-CD1 4.25Å; K93-L132 HydrophobicContact CD-CD1 3.74Å; K93-L132 HydrophobicContact CG-CD1 3.86Å; Y94-L132 HydrophobicContact CD2-CD2 3.96Å; Y94-L132 HydrophobicContact CG-CD2 4.11Å; I113-L132 HydrophobicContact CD1-CD2 4.12Å; I113-L132 HydrophobicContact CG1-CD2 4.18Å; K128-L132 WeakPolarHBondContact O-CB 3.17Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.34Å; K128-L132 PolarHBondContact O-N 2.95Å; R130-L132 PolarHBondContact O-N 3.26Å; L132-L135 HydrophobicContact CD2-CD1 4.24Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-T136 WeakPolarHBondContact O-CB 3.24Å; L132-T136 PolarHBondContact O-N 3.36Å; L132-T136 PolarHBondContact O-OG1 2.92Å
133	A	97.3	Very high	94.1	Very high	54 Å²	54	74.3 Å²	74.3	45%	0.446	41%	0.411	S	S	.	.	H	α-helix	trans	-62.6	-43	-175.8	0	0	0	0	0	113	S129 R130 T136 A137	S129-A133 PolarHBondContact O-N 3.5Å; R130-A133 VanDerWaalsContact O-CB 3.31Å; R130-A133 WeakPolarHBondContact O-CB 3.42Å; R130-A133 PolarHBondContact O-N 3.16Å; A133-T136 PolarHBondContact O-N 3.31Å; A133-A137 PolarHBondContact O-N 2.91Å; A133-A137 VanDerWaalsContact O-N 3.15Å
134	P	96.1	Very high	91.8	Very high	42 Å²	42	76.9 Å²	76.9	27%	0.273	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-45	176.6	-23.1	35.1	0	0	0	112.7	E116 I131 T136 A137 I138	E116-P134 HydrophobicContact CG-CG 4.1Å; I131-P134 WeakPolarHBondContact O-CD 3.33Å; P134-T136 PolarHBondContact O-N 3.04Å; P134-A137 WeakPolarHBondContact O-CB 3.21Å; P134-A137 PolarHBondContact O-N 3.31Å; P134-A137 VanDerWaalsContact O-N 3.13Å; P134-I138 WeakPolarHBondContact O-CG1 3.25Å; P134-I138 PolarHBondContact O-N 2.87Å
135	L	95.6	Very high	91.5	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.005	45%	0.453	C	S	.	.	H	α-helix	trans	-61.6	-44.2	177.7	-73.5	177.8	0	0	0	111.9	Y94 I112 I113 L132 A137 I138 D139	Y94-L135 HydrophobicContact CD1-CD1 4.38Å; Y94-L135 HydrophobicContact CD2-CB 4.46Å; Y94-L135 HydrophobicContact CD2-CD1 4.03Å; Y94-L135 HydrophobicContact CE1-CD1 4.16Å; Y94-L135 HydrophobicContact CE2-CB 3.82Å; Y94-L135 HydrophobicContact CE2-CD1 3.81Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.32Å; I112-L135 HydrophobicContact CB-CD2 4.04Å; I112-L135 HydrophobicContact CB-CG 4.49Å; I112-L135 HydrophobicContact CD1-CD2 3.83Å; I112-L135 HydrophobicContact CG2-CD2 3.82Å; I112-L135 HydrophobicContact CG2-CG 3.9Å; I113-L135 HydrophobicContact CD1-CD1 3.68Å; I113-L135 HydrophobicContact CG1-CD1 3.44Å; I113-L135 VanDerWaalsContact CG1-CD1 3.44Å; L132-L135 HydrophobicContact CD2-CD1 4.24Å; L132-L135 PolarHBondContact O-N 2.94Å; L135-A137 PolarHBondContact O-N 2.95Å; L135-I138 PolarHBondContact O-N 2.88Å; L135-I138 VanDerWaalsContact O-N 3.08Å; L135-D139 PolarHBondContact O-N 3.14Å
136	T	94.3	Very high	91.1	Very high	62 Å²	62	78.8 Å²	78.8	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-59.2	-33.6	176.6	-52.9	0	0	0	0	112.1	L132 A133 P134 K140	L132-T136 WeakPolarHBondContact O-CB 3.24Å; L132-T136 PolarHBondContact O-N 3.36Å; L132-T136 PolarHBondContact O-OG1 2.92Å; A133-T136 PolarHBondContact O-N 3.31Å; P134-T136 PolarHBondContact O-N 3.04Å; T136-K140 VanDerWaalsContact O-CG 3.27Å; T136-K140 WeakPolarHBondContact O-CG 3.43Å; T136-K140 PolarHBondContact O-N 3.34Å
137	A	93.9	Very high	90.7	Very high	52 Å²	52	78.4 Å²	78.4	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-72.7	-41	176.3	0	0	0	0	0	111.9	A133 P134 L135 M141	A133-A137 PolarHBondContact O-N 2.91Å; A133-A137 VanDerWaalsContact O-N 3.15Å; P134-A137 WeakPolarHBondContact O-CB 3.21Å; P134-A137 PolarHBondContact O-N 3.31Å; P134-A137 VanDerWaalsContact O-N 3.13Å; L135-A137 PolarHBondContact O-N 2.95Å; A137-M141 WeakPolarHBondContact O-CG 3.25Å; A137-M141 PolarHBondContact O-N 3.17Å
138	I	93.3	Very high	90.3	Very high	84 Å²	84	78.5 Å²	78.5	43%	0.431	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-48.6	176.7	-67.4	165.3	0	0	0	110.6	I112 P134 L135 K140 M141 A142	I112-I138 HydrophobicContact CD1-CD1 4.23Å; P134-I138 WeakPolarHBondContact O-CG1 3.25Å; P134-I138 PolarHBondContact O-N 2.87Å; L135-I138 PolarHBondContact O-N 2.88Å; L135-I138 VanDerWaalsContact O-N 3.08Å; I138-K140 VanDerWaalsContact C-N 3.3Å; I138-K140 PolarHBondContact O-N 2.97Å; I138-M141 WeakPolarHBondContact O-CB 3.4Å; I138-M141 PolarHBondContact O-N 3.29Å; I138-A142 PolarHBondContact O-N 3Å; I138-A142 VanDerWaalsContact O-N 3.1Å
139	D	90.6	Very high	89.8	Confident	59 Å²	59	79.4 Å²	79.4	32%	0.316	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-42.6	-178.5	-63.3	-22.7	0	0	0	110.9	Y94 L135 M141 A142 D143	Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 PolarHBondContact OH-OD1 3.24Å; Y94-D139 PolarHBondContact OH-OD2 3.33Å; L135-D139 PolarHBondContact O-N 3.14Å; D139-M141 VanDerWaalsContact C-N 3.27Å; D139-M141 PolarHBondContact O-N 3.44Å; D139-A142 PolarHBondContact O-N 2.6Å; D139-A142 VanDerWaalsContact O-N 3.13Å; D139-D143 PolarHBondContact O-N 2.76Å; D139-D143 VanDerWaalsContact O-N 3.17Å
140	K	91	Very high	89.3	Confident	155 Å²	155	79.7 Å²	79.7	67%	0.674	48%	0.476	S	S	*	.	H	α-helix	trans	-62.9	-29.5	175.2	-76.2	176.4	-178.3	179.9	0	114.2	T136 I138	T136-K140 VanDerWaalsContact O-CG 3.27Å; T136-K140 WeakPolarHBondContact O-CG 3.43Å; T136-K140 PolarHBondContact O-N 3.34Å; I138-K140 VanDerWaalsContact C-N 3.3Å; I138-K140 PolarHBondContact O-N 2.97Å
141	M	88.1	Confident	88.7	Confident	156 Å²	156	73.6 Å²	73.6	77%	0.768	47%	0.465	S	S	*	.	H	α-helix	trans	-78.9	-25.7	176.9	-72.5	179	135.5	0	0	112.1	A137 I138 D139	A137-M141 WeakPolarHBondContact O-CG 3.25Å; A137-M141 PolarHBondContact O-N 3.17Å; I138-M141 WeakPolarHBondContact O-CB 3.4Å; I138-M141 PolarHBondContact O-N 3.29Å; D139-M141 VanDerWaalsContact C-N 3.27Å; D139-M141 PolarHBondContact O-N 3.44Å
142	A	82.5	Confident	87.9	Confident	81 Å²	81	79.3 Å²	79.3	67%	0.669	50%	0.501	S	S	*	.	H	α-helix	trans	-79	-29.7	176.9	0	0	0	0	0	112.7	I138 D139	I138-A142 PolarHBondContact O-N 3Å; I138-A142 VanDerWaalsContact O-N 3.1Å; D139-A142 PolarHBondContact O-N 2.6Å; D139-A142 VanDerWaalsContact O-N 3.13Å
143	D	72.4	Confident	87.1	Confident	151 Å²	151	84.8 Å²	84.8	81%	0.807	54%	0.537	S	S	*	.			trans	-83.5	-5.8	179.4	-72.2	-23.3	0	0	0	114.4	D139	D139-D143 PolarHBondContact O-N 2.76Å; D139-D143 VanDerWaalsContact O-N 3.17Å
144	G	49.8	Very low	86.1	Confident	121 Å²	121	87.6 Å²	87.6	100%	1.247	55%	0.546	S	S	*	.			trans	-106.5	0	-178.6	0	0	0	0	0	113.3

Retrieved 144 of 144 residues in 401.5 ms (Link to these results)

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