A0A087YCY6_POEFO Loading...

Adaptor related protein complex 3 subunit sigma 2

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB , UniProt , Accession A0A087YCY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.9	Confident	93.8	Very high	75 Å²	75	29.5 Å²	29.5	37%	0.369	14%	0.143	S	C	.	.				0	157.4	0	-169.6	177.4	68.1	0	0	110.3	V77 D78 E81 G127	M1-V77 WeakPolarHBondContact O-CA 3.48Å; M1-D78 WeakPolarHBondContact CA-OD2 3.43Å; M1-D78 WeakPolarHBondContact CB-OD2 3.46Å; M1-D78 PolarHBondContact N-OD2 2.86Å; M1-D78 PolarHBondContact O-N 2.88Å; M1-E81 WeakPolarHBondContact CA-OE1 3.42Å; M1-E81 PolarHBondContact N-OE1 2.88Å; M1-G127 WeakPolarHBondContact CG-O 2.97Å
2	I	93.4	Very high	93.4	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.9	171.1	-56.7	170	0	0	0	108.9	I5 Y20 F75 V77 I86 L89 V124 G127 V129	I2-I5 HydrophobicContact CG2-CD1 4.14Å; I2-I5 HydrophobicContact CG2-CG1 3.81Å; I2-Y20 HydrophobicContact CB-CD2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 4Å; I2-Y20 HydrophobicContact CG2-CE2 3.96Å; I2-F75 HydrophobicContact CD1-CD2 4.2Å; I2-F75 HydrophobicContact CD1-CE2 4.38Å; I2-F75 HydrophobicContact CG2-CD2 4.42Å; I2-V77 HydrophobicContact CB-CG1 4.42Å; I2-V77 HydrophobicContact CG1-CG1 3.98Å; I2-V77 HydrophobicContact CG2-CG1 4.45Å; I2-I86 HydrophobicContact CD1-CD1 4.21Å; I2-I86 HydrophobicContact CG1-CD1 4.09Å; I2-L89 HydrophobicContact CD1-CD2 3.84Å; I2-V124 HydrophobicContact CD1-CG1 3.87Å; I2-V124 HydrophobicContact CD1-CG2 3.99Å; I2-G127 WeakPolarHBondContact CB-O 2.9Å; I2-G127 PolarHBondContact N-O 2.74Å; I2-G127 WeakPolarHBondContact O-CA 3.26Å; I2-V129 HydrophobicContact CD1-CG2 4.28Å
3	K	92.1	Very high	93.5	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.057	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-41	179.5	-62.7	-167.5	-176.2	-60.9	0	112.6	Y20 I56 C76 D78	K3-Y20 PolarHBondContact O-N 3.34Å; K3-I56 HydrophobicContact CD-CG2 3.53Å; K3-C76 PolarHBondContact N-O 3.47Å; K3-D78 WeakPolarHBondContact CE-OD1 3.41Å; K3-D78 IonicContact NZ-OD1 2.69Å; K3-D78 PolarHBondContact NZ-OD1 3.39Å
4	A	93.9	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	151.6	-178.2	0	0	0	0	0	112	R18 F19 C76	A4-R18 CarbonylContact C-O 3.48Å; A4-R18 WeakPolarHBondContact CA-O 3.43Å; A4-F19 HydrophobicContact CB-CD1 3.49Å; A4-F19 VanDerWaalsContact CB-CD1 3.49Å; A4-F19 HydrophobicContact CB-CE1 3.77Å; A4-F19 HydrophobicContact CB-CG 4.33Å; A4-C76 HydrophobicContact CB-CB 4Å; A4-C76 PolarHBondContact N-O 2.95Å; A4-C76 PolarHBondContact O-N 3.2Å
5	I	96.3	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.2	172.7	-63.7	172.8	0	0	0	107.6	I2 L16 R18 Y20 F75 L120 V124	I2-I5 HydrophobicContact CG2-CD1 4.14Å; I2-I5 HydrophobicContact CG2-CG1 3.81Å; I5-L16 HydrophobicContact CG2-CD2 3.96Å; I5-R18 PolarHBondContact N-O 3.4Å; I5-R18 PolarHBondContact O-N 3.48Å; I5-Y20 HydrophobicContact CD1-CE2 3.72Å; I5-Y20 HydrophobicContact CG1-CE2 3.97Å; I5-F75 HydrophobicContact CB-CE1 4.45Å; I5-F75 HydrophobicContact CD1-CD2 3.96Å; I5-F75 HydrophobicContact CD1-CE1 4.28Å; I5-F75 HydrophobicContact CD1-CE2 3.45Å; I5-F75 VanDerWaalsContact CD1-CE2 3.45Å; I5-F75 HydrophobicContact CD1-CZ 3.64Å; I5-F75 HydrophobicContact CG1-CD1 4.18Å; I5-F75 HydrophobicContact CG1-CD2 3.85Å; I5-F75 HydrophobicContact CG1-CE1 4.14Å; I5-F75 HydrophobicContact CG1-CE2 3.82Å; I5-F75 HydrophobicContact CG1-CG 4.03Å; I5-F75 HydrophobicContact CG1-CZ 3.97Å; I5-F75 HydrophobicContact CG2-CD1 4Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CZ 3.95Å; I5-L120 HydrophobicContact CD1-CD1 3.76Å; I5-L120 HydrophobicContact CG2-CD1 4.34Å; I5-V124 HydrophobicContact CD1-CB 4.23Å; I5-V124 HydrophobicContact CD1-CG1 4.26Å; I5-V124 HydrophobicContact CD1-CG2 4.17Å
6	L	95.9	Very high	93.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.3	-175.4	-55.4	176.1	0	0	0	108.9	F8 L16 I17 F19 I31 I32 T35 V74	L6-F8 HydrophobicContact CB-CD1 4.16Å; L6-F8 HydrophobicContact CB-CE1 4.07Å; L6-L16 WeakPolarHBondContact CA-O 3.27Å; L6-I17 HydrophobicContact CD2-CB 4.26Å; L6-I17 HydrophobicContact CD2-CG1 4.15Å; L6-I17 HydrophobicContact CD2-CG2 3.82Å; L6-F19 HydrophobicContact CD2-CZ 4.24Å; L6-I31 HydrophobicContact CD1-CG2 4.35Å; L6-I32 HydrophobicContact CD1-CG1 4.41Å; L6-I32 HydrophobicContact CD2-CG1 4.12Å; L6-T35 HydrophobicContact CD1-CG2 4.12Å; L6-V74 HydrophobicContact CB-CB 4.46Å; L6-V74 PolarHBondContact N-O 2.87Å; L6-V74 PolarHBondContact O-N 3.29Å
7	I	96.8	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.8	168.1	-51.1	173.7	0	0	0	107.2	P14 R15 L16 L71 Y72 F73 F93 L109	I7-P14 CarbonylContact O-C 3.51Å; I7-P14 WeakPolarHBondContact O-CA 3.47Å; I7-R15 HydrophobicContact CB-CB 4.44Å; I7-R15 HydrophobicContact CG2-CB 4.2Å; I7-R15 PolarHBondContact O-N 3.31Å; I7-L16 HydrophobicContact CB-CB 3.96Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD2 3.86Å; I7-L16 HydrophobicContact CD1-CG 4.29Å; I7-L16 HydrophobicContact CG1-CB 3.9Å; I7-L16 HydrophobicContact CG1-CD2 3.97Å; I7-L16 PolarHBondContact N-O 3.47Å; I7-L16 PolarHBondContact O-N 3.37Å; I7-L71 HydrophobicContact CG2-CB 4.31Å; I7-L71 HydrophobicContact CG2-CD1 4.45Å; I7-L71 HydrophobicContact CG2-CD2 4.25Å; I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.09Å; I7-F73 HydrophobicContact CD1-CD1 3.82Å; I7-F73 HydrophobicContact CD1-CE1 3.51Å; I7-F73 HydrophobicContact CD1-CZ 4.2Å; I7-F73 HydrophobicContact CG1-CD1 3.88Å; I7-F73 HydrophobicContact CG1-CE1 4.06Å; I7-F73 HydrophobicContact CG1-CG 4.43Å; I7-F73 HydrophobicContact CG2-CD2 4.49Å; I7-F73 HydrophobicContact CG2-CE1 4.44Å; I7-F73 HydrophobicContact CG2-CE2 4.35Å; I7-F73 HydrophobicContact CG2-CZ 4.32Å; I7-F93 HydrophobicContact CD1-CE1 3.95Å; I7-F93 HydrophobicContact CD1-CZ 4.47Å; I7-L109 HydrophobicContact CD1-CD2 4.16Å; I7-L109 HydrophobicContact CG2-CD2 4.22Å
8	F	95.6	Very high	94	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.8	176.3	41.5	-99.3	0	0	0	110.6	L6 K13 T35 F36 V39 Y72 V74	L6-F8 HydrophobicContact CB-CD1 4.16Å; L6-F8 HydrophobicContact CB-CE1 4.07Å; F8-K13 VanDerWaalsContact CA-O 3.29Å; F8-K13 WeakPolarHBondContact CA-O 3.38Å; F8-T35 HydrophobicContact CE1-CG2 3.93Å; F8-T35 HydrophobicContact CZ-CG2 4.01Å; F8-F36 HydrophobicContact CD2-CB 4.43Å; F8-F36 AromaticContact CD2-CD2 3.47Å; F8-F36 HydrophobicContact CD2-CD2 3.47Å; F8-F36 VanDerWaalsContact CD2-CD2 3.47Å; F8-F36 HydrophobicContact CD2-CE2 4.21Å; F8-F36 HydrophobicContact CD2-CG 4.4Å; F8-F36 HydrophobicContact CE2-CB 4.25Å; F8-F36 AromaticContact CE2-CD2 3.61Å; F8-F36 HydrophobicContact CE2-CD2 3.61Å; F8-F36 HydrophobicContact CE2-CG 4.43Å; F8-F36 HydrophobicContact CG-CD2 4.29Å; F8-F36 HydrophobicContact CZ-CB 4.38Å; F8-V39 HydrophobicContact CE2-CB 4.46Å; F8-V39 HydrophobicContact CE2-CG1 4.49Å; F8-V39 HydrophobicContact CZ-CB 4.42Å; F8-Y72 AromaticContact CD2-CD2 3.82Å; F8-Y72 HydrophobicContact CD2-CD2 3.82Å; F8-Y72 HydrophobicContact CD2-CG 4.09Å; F8-Y72 AromaticContact CE2-CD2 3.8Å; F8-Y72 HydrophobicContact CE2-CD2 3.8Å; F8-Y72 AromaticContact CE2-CG 3.74Å; F8-Y72 HydrophobicContact CE2-CG 3.74Å; F8-Y72 PolarHBondContact N-O 2.93Å; F8-Y72 VanDerWaalsContact N-O 3.15Å; F8-Y72 PolarHBondContact O-N 3.23Å; F8-V74 HydrophobicContact CE1-CB 4.25Å; F8-V74 HydrophobicContact CE1-CG2 3.61Å; F8-V74 HydrophobicContact CE2-CG2 4.22Å; F8-V74 HydrophobicContact CZ-CB 4.39Å; F8-V74 HydrophobicContact CZ-CG2 3.34Å
9	N	94.7	Very high	94	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	178	178.7	77	-4.1	0	0	0	112.8	H11 G12 K13 R15 F36 T70 L71 E106	N9-H11 PolarHBondContact O-N 3.27Å; N9-H11 WeakPolarHBondContact OD1-CA 3.5Å; N9-H11 WeakPolarHBondContact OD1-CB 3.43Å; N9-H11 PolarHBondContact OD1-N 3.01Å; N9-G12 PolarHBondContact O-N 3.46Å; N9-G12 PolarHBondContact OD1-N 3.39Å; N9-G12 VanDerWaalsContact OD1-N 3.16Å; N9-K13 PolarHBondContact N-O 3.49Å; N9-K13 WeakPolarHBondContact OD1-CB 3.46Å; N9-K13 PolarHBondContact OD1-N 3.49Å; N9-R15 PolarHBondContact ND2-NH2 3.18Å; N9-F36 WeakPolarHBondContact O-CE2 3.2Å; N9-T70 CarbonylContact C-O 3.54Å; N9-T70 WeakPolarHBondContact CA-O 3.41Å; N9-L71 HydrophobicContact CB-CD2 4.08Å; N9-E106 VanDerWaalsContact CB-OE1 3.26Å; N9-E106 WeakPolarHBondContact CB-OE1 3.37Å; N9-E106 PolarHBondContact ND2-OE1 3.13Å; N9-E106 VanDerWaalsContact ND2-OE1 3.09Å
10	N	92.4	Very high	94	Very high	69 Å²	69	40.3 Å²	40.3	37%	0.369	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.8	176.7	-65.6	-10.3	0	0	0	114.8	H67 T70 Y72	N10-H67 PolarHBondContact OD1-NE2 2.79Å; N10-T70 PolarHBondContact N-O 3.22Å; N10-T70 PolarHBondContact OD1-O 2.92Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.21Å
11	H	92.1	Very high	93.7	Very high	155 Å²	155	42.4 Å²	42.4	72%	0.718	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	4.9	176.9	-58	-71.6	0	0	0	113.4	N9 K13	N9-H11 PolarHBondContact O-N 3.27Å; N9-H11 WeakPolarHBondContact OD1-CA 3.5Å; N9-H11 WeakPolarHBondContact OD1-CB 3.43Å; N9-H11 PolarHBondContact OD1-N 3.01Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.46Å
12	G	89.2	Confident	93.6	Very high	22 Å²	22	48.7 Å²	48.7	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	76.5	14.8	-179.3	0	0	0	0	0	114.1	N9 P14 F36	N9-G12 PolarHBondContact O-N 3.46Å; N9-G12 PolarHBondContact OD1-N 3.39Å; N9-G12 VanDerWaalsContact OD1-N 3.16Å; G12-P14 WeakPolarHBondContact O-CD 3.5Å; G12-F36 VanDerWaalsContact CA-CD2 3.48Å; G12-F36 VanDerWaalsContact CA-CZ 3.41Å
13	K	93.7	Very high	93.3	Very high	125 Å²	125	49 Å²	49	54%	0.543	23%	0.226	S	C	.	.			trans	-80.3	120	172.6	-64.6	-174.7	179.7	179.7	0	109	F8 N9 H11	F8-K13 VanDerWaalsContact CA-O 3.29Å; F8-K13 WeakPolarHBondContact CA-O 3.38Å; N9-K13 PolarHBondContact N-O 3.49Å; N9-K13 WeakPolarHBondContact OD1-CB 3.46Å; N9-K13 PolarHBondContact OD1-N 3.49Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.46Å
14	P	94.3	Very high	93.3	Very high	59 Å²	59	50.8 Å²	50.8	38%	0.383	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.7	177	27.3	-32.5	0	0	0	110.7	I7 G12 I17	I7-P14 CarbonylContact O-C 3.51Å; I7-P14 WeakPolarHBondContact O-CA 3.47Å; G12-P14 WeakPolarHBondContact O-CD 3.5Å; P14-I17 HydrophobicContact CB-CD1 3.46Å; P14-I17 VanDerWaalsContact CB-CD1 3.46Å; P14-I17 HydrophobicContact CB-CG1 3.72Å; P14-I17 HydrophobicContact CG-CD1 3.77Å
15	R	95.3	Very high	93.2	Very high	46 Å²	46	57.5 Å²	57.5	17%	0.174	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-28.1	173.4	-56.9	-50	-176.3	-174.9	6.8	111.8	I7 N9 L71 E106 L109 M113	I7-R15 HydrophobicContact CB-CB 4.44Å; I7-R15 HydrophobicContact CG2-CB 4.2Å; I7-R15 PolarHBondContact O-N 3.31Å; N9-R15 PolarHBondContact ND2-NH2 3.18Å; R15-L71 HydrophobicContact CG-CD2 3.81Å; R15-E106 IonicContact CZ-OE1 2.64Å; R15-E106 IonicContact NE-OE1 3.19Å; R15-E106 PolarHBondContact NE-OE1 3.16Å; R15-E106 IonicContact NH2-OE1 2.67Å; R15-E106 PolarHBondContact NH2-OE1 3.25Å; R15-L109 HydrophobicContact CB-CD2 4.5Å; R15-M113 WeakPolarHBondContact O-CE 3.44Å
16	L	95.9	Very high	92.9	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	134.7	172	177.8	121.7	0	0	0	108.7	I5 L6 I7 V116 L120	I5-L16 HydrophobicContact CG2-CD2 3.96Å; L6-L16 WeakPolarHBondContact CA-O 3.27Å; I7-L16 HydrophobicContact CB-CB 3.96Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD2 3.86Å; I7-L16 HydrophobicContact CD1-CG 4.29Å; I7-L16 HydrophobicContact CG1-CB 3.9Å; I7-L16 HydrophobicContact CG1-CD2 3.97Å; I7-L16 PolarHBondContact N-O 3.47Å; I7-L16 PolarHBondContact O-N 3.37Å; L16-V116 HydrophobicContact CD1-CB 4.49Å; L16-V116 HydrophobicContact CD1-CG1 3.7Å; L16-L120 HydrophobicContact CD1-CD2 4.12Å; L16-L120 HydrophobicContact CD2-CD2 3.65Å; L16-L120 HydrophobicContact CG-CD2 4.38Å
17	I	95.6	Very high	92.6	Very high	59 Å²	59	66.3 Å²	66.3	30%	0.303	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.4	174.6	-63.4	160.6	0	0	0	107.2	L6 P14 F19 I32	L6-I17 HydrophobicContact CD2-CB 4.26Å; L6-I17 HydrophobicContact CD2-CG1 4.15Å; L6-I17 HydrophobicContact CD2-CG2 3.82Å; P14-I17 HydrophobicContact CB-CD1 3.46Å; P14-I17 VanDerWaalsContact CB-CD1 3.46Å; P14-I17 HydrophobicContact CB-CG1 3.72Å; P14-I17 HydrophobicContact CG-CD1 3.77Å; I17-F19 HydrophobicContact CG2-CD2 3.69Å; I17-F19 HydrophobicContact CG2-CE2 3.29Å; I17-F19 HydrophobicContact CG2-CZ 4.18Å; I17-I32 HydrophobicContact CD1-CD1 3.56Å; I17-I32 HydrophobicContact CD1-CG1 4.48Å; I17-I32 HydrophobicContact CG1-CD1 4.1Å; I17-I32 HydrophobicContact CG2-CD1 4.22Å
18	R	95.4	Very high	92.4	Very high	96 Å²	96	69.3 Å²	69.3	36%	0.362	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	115.9	172.6	-168.9	63.6	173.2	-172.4	-2.2	110.2	A4 I5 Y20 L120	A4-R18 CarbonylContact C-O 3.48Å; A4-R18 WeakPolarHBondContact CA-O 3.43Å; I5-R18 PolarHBondContact N-O 3.4Å; I5-R18 PolarHBondContact O-N 3.48Å; R18-Y20 HydrophobicContact CG-CE1 3.87Å; R18-Y20 HydrophobicContact CG-CE2 4.33Å; R18-L120 HydrophobicContact CB-CD2 3.96Å; R18-L120 HydrophobicContact CG-CD2 4.2Å
19	F	94.4	Very high	92.2	Very high	32 Å²	32	73 Å²	73	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.1	170.5	-66.5	-82.1	0	0	0	109.4	A4 L6 I17 F23 Q28 I31 I32	A4-F19 HydrophobicContact CB-CD1 3.49Å; A4-F19 VanDerWaalsContact CB-CD1 3.49Å; A4-F19 HydrophobicContact CB-CE1 3.77Å; A4-F19 HydrophobicContact CB-CG 4.33Å; L6-F19 HydrophobicContact CD2-CZ 4.24Å; I17-F19 HydrophobicContact CG2-CD2 3.69Å; I17-F19 HydrophobicContact CG2-CE2 3.29Å; I17-F19 HydrophobicContact CG2-CZ 4.18Å; F19-F23 HydrophobicContact CB-CD2 4.21Å; F19-F23 AromaticContact CD1-CD2 3.47Å; F19-F23 HydrophobicContact CD1-CD2 3.47Å; F19-F23 VanDerWaalsContact CD1-CD2 3.47Å; F19-F23 AromaticContact CD1-CE2 3.76Å; F19-F23 HydrophobicContact CD1-CE2 3.76Å; F19-F23 HydrophobicContact CE1-CD2 4.11Å; F19-F23 HydrophobicContact CE1-CE2 4.47Å; F19-F23 HydrophobicContact CG-CD2 4.06Å; F19-Q28 HydrophobicContact CD2-CB 4.43Å; F19-Q28 HydrophobicContact CD2-CG 3.85Å; F19-Q28 HydrophobicContact CE1-CG 4.33Å; F19-Q28 HydrophobicContact CE2-CB 3.66Å; F19-Q28 HydrophobicContact CE2-CG 3.56Å; F19-Q28 HydrophobicContact CG-CG 4.34Å; F19-Q28 HydrophobicContact CZ-CB 3.8Å; F19-Q28 HydrophobicContact CZ-CG 3.84Å; F19-I31 HydrophobicContact CE1-CD1 4.19Å; F19-I31 HydrophobicContact CE1-CG2 4.22Å; F19-I32 HydrophobicContact CE2-CD1 4.44Å; F19-I32 HydrophobicContact CZ-CD1 4.44Å; F19-I32 HydrophobicContact CZ-CG1 4.33Å
20	Y	93.4	Very high	92	Very high	40 Å²	40	77.2 Å²	77.2	16%	0.157	37%	0.368	C	S	.	.	S	Bend	trans	-99	-12.5	175.3	-62.6	-67.7	0	0	0	112.7	I2 K3 I5 R18 V124 G127	I2-Y20 HydrophobicContact CB-CD2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 4Å; I2-Y20 HydrophobicContact CG2-CE2 3.96Å; K3-Y20 PolarHBondContact O-N 3.34Å; I5-Y20 HydrophobicContact CD1-CE2 3.72Å; I5-Y20 HydrophobicContact CG1-CE2 3.97Å; R18-Y20 HydrophobicContact CG-CE1 3.87Å; R18-Y20 HydrophobicContact CG-CE2 4.33Å; Y20-V124 HydrophobicContact CE1-CG1 4.31Å; Y20-V124 HydrophobicContact CE2-CG1 3.75Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.47Å; Y20-V124 PolarHBondContact OH-O 3.47Å; Y20-G127 VanDerWaalsContact CG-N 3.26Å
21	Q	88.5	Confident	91.9	Very high	86 Å²	86	74 Å²	74	40%	0.402	35%	0.351	S	S	.	.	S	Bend	trans	-112	150.6	171.1	-177.6	168.3	39.8	0	0	109.8	F23	Q21-F23 HydrophobicContact CB-CD2 4.48Å; Q21-F23 HydrophobicContact CB-CE2 3.69Å; Q21-F23 HydrophobicContact CB-CZ 3.8Å; Q21-F23 HydrophobicContact CG-CE1 4.4Å; Q21-F23 HydrophobicContact CG-CE2 4.22Å; Q21-F23 HydrophobicContact CG-CZ 3.94Å; Q21-F23 WeakPolarHBondContact O-CD2 3.49Å; Q21-F23 PolarHBondContact O-N 3.32Å
22	Y	87.6	Confident	91.9	Very high	207 Å²	207	67.9 Å²	67.9	81%	0.812	32%	0.323	S	S	*	.			trans	-69	125.3	174.7	179.1	-96.2	0	0	0	110.7
23	F	87.2	Confident	92	Very high	10 Å²	10	75.1 Å²	75.1	4%	0.044	34%	0.343	C	S	.	.			trans	-132.5	144.3	170.7	-61.2	-71.8	0	0	0	108.6	F19 Q21 M27 Q28 I31 I56	F19-F23 HydrophobicContact CB-CD2 4.21Å; F19-F23 AromaticContact CD1-CD2 3.47Å; F19-F23 HydrophobicContact CD1-CD2 3.47Å; F19-F23 VanDerWaalsContact CD1-CD2 3.47Å; F19-F23 AromaticContact CD1-CE2 3.76Å; F19-F23 HydrophobicContact CD1-CE2 3.76Å; F19-F23 HydrophobicContact CE1-CD2 4.11Å; F19-F23 HydrophobicContact CE1-CE2 4.47Å; F19-F23 HydrophobicContact CG-CD2 4.06Å; Q21-F23 HydrophobicContact CB-CD2 4.48Å; Q21-F23 HydrophobicContact CB-CE2 3.69Å; Q21-F23 HydrophobicContact CB-CZ 3.8Å; Q21-F23 HydrophobicContact CG-CE1 4.4Å; Q21-F23 HydrophobicContact CG-CE2 4.22Å; Q21-F23 HydrophobicContact CG-CZ 3.94Å; Q21-F23 WeakPolarHBondContact O-CD2 3.49Å; Q21-F23 PolarHBondContact O-N 3.32Å; F23-M27 HydrophobicContact CB-CE 4.04Å; F23-M27 HydrophobicContact CB-CG 4.5Å; F23-M27 HydrophobicContact CD1-CE 3.59Å; F23-M27 HydrophobicContact CD1-CG 4.34Å; F23-M27 HydrophobicContact CD1-SD 4.06Å; F23-M27 HydrophobicContact CG-CE 4.31Å; F23-Q28 HydrophobicContact CB-CG 3.63Å; F23-Q28 PolarHBondContact O-NE2 3.23Å; F23-I31 HydrophobicContact CD1-CD1 4.27Å; F23-I31 HydrophobicContact CG-CD1 4.3Å; F23-I56 HydrophobicContact CE1-CG2 3.52Å; F23-I56 HydrophobicContact CZ-CG2 3.46Å; F23-I56 VanDerWaalsContact CZ-CG2 3.46Å
24	S	91.4	Very high	91.7	Very high	49 Å²	49	71.8 Å²	71.8	34%	0.343	33%	0.33	S	S	.	.			trans	-62.2	153.1	170.7	60.1	0	0	0	0	110.3	D26 M27 Q28	S24-D26 VanDerWaalsContact C-N 3.28Å; S24-D26 PolarHBondContact O-N 3.45Å; S24-M27 PolarHBondContact O-N 3.32Å; S24-M27 VanDerWaalsContact OG-CB 3.3Å; S24-M27 WeakPolarHBondContact OG-CB 3.5Å; S24-M27 PolarHBondContact OG-N 3.22Å; S24-Q28 WeakPolarHBondContact O-CG 3.31Å; S24-Q28 PolarHBondContact O-N 3.47Å
25	E	91.4	Very high	91.6	Very high	141 Å²	141	69.1 Å²	69.1	66%	0.659	31%	0.312	S	S	*	.	H	α-helix	trans	-57.2	-42.7	-178	-169.3	178.6	171	0	0	112.1	M27 Q28 Q29	E25-M27 VanDerWaalsContact C-N 3.31Å; E25-M27 PolarHBondContact O-N 3.5Å; E25-Q28 WeakPolarHBondContact O-CB 3.33Å; E25-Q28 PolarHBondContact O-N 3.4Å; E25-Q29 WeakPolarHBondContact O-CG 3.29Å; E25-Q29 PolarHBondContact O-N 3.34Å
26	D	91.3	Very high	91.4	Very high	128 Å²	128	69 Å²	69	68%	0.684	31%	0.313	S	S	*	.	H	α-helix	trans	-57.9	-43.7	175.5	-63.4	-41.3	0	0	0	112.1	S24 Q29 Q30	S24-D26 VanDerWaalsContact C-N 3.28Å; S24-D26 PolarHBondContact O-N 3.45Å; D26-Q29 PolarHBondContact O-N 3.21Å; D26-Q30 WeakPolarHBondContact O-CB 3.5Å; D26-Q30 PolarHBondContact O-N 3.39Å
27	M	89.6	Confident	91.2	Very high	59 Å²	59	73.6 Å²	73.6	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-70	-38.7	179.2	-177.7	160.2	46.1	0	0	111.4	F23 S24 E25 Q29 Q30 I31	F23-M27 HydrophobicContact CB-CE 4.04Å; F23-M27 HydrophobicContact CB-CG 4.5Å; F23-M27 HydrophobicContact CD1-CE 3.59Å; F23-M27 HydrophobicContact CD1-CG 4.34Å; F23-M27 HydrophobicContact CD1-SD 4.06Å; F23-M27 HydrophobicContact CG-CE 4.31Å; S24-M27 PolarHBondContact O-N 3.32Å; S24-M27 VanDerWaalsContact OG-CB 3.3Å; S24-M27 WeakPolarHBondContact OG-CB 3.5Å; S24-M27 PolarHBondContact OG-N 3.22Å; E25-M27 VanDerWaalsContact C-N 3.31Å; E25-M27 PolarHBondContact O-N 3.5Å; M27-Q29 PolarHBondContact O-N 3.13Å; M27-Q30 PolarHBondContact O-N 3.47Å; M27-I31 HydrophobicContact CG-CD1 3.89Å; M27-I31 HydrophobicContact CG-CG1 4.4Å; M27-I31 WeakPolarHBondContact O-CD1 3.14Å; M27-I31 WeakPolarHBondContact O-CG1 3.44Å; M27-I31 PolarHBondContact O-N 3.41Å
28	Q	91.4	Very high	90.8	Very high	62 Å²	62	73.6 Å²	73.6	29%	0.29	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-46.9	173.7	-69.1	-177.3	30.7	0	0	111.3	F19 F23 S24 E25 Q30 I31 I32	F19-Q28 HydrophobicContact CD2-CB 4.43Å; F19-Q28 HydrophobicContact CD2-CG 3.85Å; F19-Q28 HydrophobicContact CE1-CG 4.33Å; F19-Q28 HydrophobicContact CE2-CB 3.66Å; F19-Q28 HydrophobicContact CE2-CG 3.56Å; F19-Q28 HydrophobicContact CG-CG 4.34Å; F19-Q28 HydrophobicContact CZ-CB 3.8Å; F19-Q28 HydrophobicContact CZ-CG 3.84Å; F23-Q28 HydrophobicContact CB-CG 3.63Å; F23-Q28 PolarHBondContact O-NE2 3.23Å; S24-Q28 WeakPolarHBondContact O-CG 3.31Å; S24-Q28 PolarHBondContact O-N 3.47Å; E25-Q28 WeakPolarHBondContact O-CB 3.33Å; E25-Q28 PolarHBondContact O-N 3.4Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.14Å; Q28-I31 PolarHBondContact O-N 3.37Å; Q28-I32 WeakPolarHBondContact O-CD1 3.31Å; Q28-I32 VanDerWaalsContact O-CG1 3.27Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3Å
29	Q	92.1	Very high	90.6	Very high	80 Å²	80	69 Å²	69	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-39.8	177.6	-69.6	-169	17.3	0	0	112.1	E25 D26 M27 I32 R33	E25-Q29 WeakPolarHBondContact O-CG 3.29Å; E25-Q29 PolarHBondContact O-N 3.34Å; D26-Q29 PolarHBondContact O-N 3.21Å; M27-Q29 PolarHBondContact O-N 3.13Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q29-R33 VanDerWaalsContact O-CG 3.32Å; Q29-R33 WeakPolarHBondContact O-CG 3.48Å; Q29-R33 PolarHBondContact O-N 3.12Å; Q29-R33 VanDerWaalsContact O-N 3.1Å
30	Q	90.6	Very high	90.3	Very high	94 Å²	94	69.5 Å²	69.5	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-48.4	175.8	-176.2	173.5	-14.1	0	0	111.5	D26 M27 Q28 I32 R33 E34 L55	D26-Q30 WeakPolarHBondContact O-CB 3.5Å; D26-Q30 PolarHBondContact O-N 3.39Å; M27-Q30 PolarHBondContact O-N 3.47Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.14Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.98Å; Q30-R33 PolarHBondContact O-N 3.45Å; Q30-E34 WeakPolarHBondContact O-CB 3.49Å; Q30-E34 PolarHBondContact O-N 2.66Å; Q30-L55 VanDerWaalsContact NE2-CD2 3.29Å
31	I	89.8	Confident	89.9	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-45.7	178	-69	162	0	0	0	110.5	L6 F19 F23 M27 Q28 T35 I56	L6-I31 HydrophobicContact CD1-CG2 4.35Å; F19-I31 HydrophobicContact CE1-CD1 4.19Å; F19-I31 HydrophobicContact CE1-CG2 4.22Å; F23-I31 HydrophobicContact CD1-CD1 4.27Å; F23-I31 HydrophobicContact CG-CD1 4.3Å; M27-I31 HydrophobicContact CG-CD1 3.89Å; M27-I31 HydrophobicContact CG-CG1 4.4Å; M27-I31 WeakPolarHBondContact O-CD1 3.14Å; M27-I31 WeakPolarHBondContact O-CG1 3.44Å; M27-I31 PolarHBondContact O-N 3.41Å; Q28-I31 PolarHBondContact O-N 3.37Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 PolarHBondContact O-N 2.96Å; I31-T35 PolarHBondContact O-OG1 3Å; I31-I56 HydrophobicContact CD1-CD1 4.3Å; I31-I56 HydrophobicContact CD1-CG1 3.82Å; I31-I56 HydrophobicContact CG1-CD1 4.49Å; I31-I56 HydrophobicContact CG1-CG1 3.98Å; I31-I56 HydrophobicContact CG2-CD1 4.25Å
32	I	91.9	Very high	89.8	Confident	27 Å²	27	73.9 Å²	73.9	14%	0.138	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-48.4	-179.6	-67.2	159.5	0	0	0	111.1	L6 I17 F19 Q28 Q29 Q30 F36	L6-I32 HydrophobicContact CD1-CG1 4.41Å; L6-I32 HydrophobicContact CD2-CG1 4.12Å; I17-I32 HydrophobicContact CD1-CD1 3.56Å; I17-I32 HydrophobicContact CD1-CG1 4.48Å; I17-I32 HydrophobicContact CG1-CD1 4.1Å; I17-I32 HydrophobicContact CG2-CD1 4.22Å; F19-I32 HydrophobicContact CE2-CD1 4.44Å; F19-I32 HydrophobicContact CZ-CD1 4.44Å; F19-I32 HydrophobicContact CZ-CG1 4.33Å; Q28-I32 WeakPolarHBondContact O-CD1 3.31Å; Q28-I32 VanDerWaalsContact O-CG1 3.27Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.98Å; I32-F36 WeakPolarHBondContact O-CB 3.49Å; I32-F36 PolarHBondContact O-N 3.31Å
33	R	90.8	Very high	89.6	Confident	173 Å²	173	69.7 Å²	69.7	65%	0.653	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-44.2	-178	-71.4	176.4	-169.1	-177.2	8.6	111.9	Q29 Q30 H37	Q29-R33 VanDerWaalsContact O-CG 3.32Å; Q29-R33 WeakPolarHBondContact O-CG 3.48Å; Q29-R33 PolarHBondContact O-N 3.12Å; Q29-R33 VanDerWaalsContact O-N 3.1Å; Q30-R33 PolarHBondContact O-N 3.45Å; R33-H37 WeakPolarHBondContact O-CB 3.3Å; R33-H37 PolarHBondContact O-N 3.46Å
34	E	88.9	Confident	89.2	Confident	55 Å²	55	75.4 Å²	75.4	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-69.6	-44.7	-179.8	-176.1	174.7	-166.1	0	0	112	Q30 F36 H37 L38 L55	Q30-E34 WeakPolarHBondContact O-CB 3.49Å; Q30-E34 PolarHBondContact O-N 2.66Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.06Å; E34-H37 WeakPolarHBondContact O-CB 3.43Å; E34-H37 PolarHBondContact O-N 3.24Å; E34-L38 HydrophobicContact CG-CD1 4.1Å; E34-L38 HydrophobicContact CG-CG 4.37Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.97Å; E34-L55 VanDerWaalsContact CD-CD1 3.42Å; E34-L55 VanDerWaalsContact OE1-CD1 3.26Å; E34-L55 WeakPolarHBondContact OE1-CD1 3.26Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.28Å
35	T	91.3	Very high	88.8	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.018	39%	0.389	C	S	.	.	H	α-helix	trans	-57.2	-45.2	176.5	-58.7	0	0	0	0	110.6	L6 F8 I31 H37 L38 V39 L63 V74	L6-T35 HydrophobicContact CD1-CG2 4.12Å; F8-T35 HydrophobicContact CE1-CG2 3.93Å; F8-T35 HydrophobicContact CZ-CG2 4.01Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 PolarHBondContact O-N 2.96Å; I31-T35 PolarHBondContact O-OG1 3Å; T35-H37 PolarHBondContact O-N 2.7Å; T35-L38 PolarHBondContact O-N 3.49Å; T35-V39 WeakPolarHBondContact O-CG2 3.16Å; T35-V39 PolarHBondContact O-N 3.04Å; T35-V39 VanDerWaalsContact O-N 3.13Å; T35-L63 HydrophobicContact CG2-CD1 4.25Å; T35-L63 HydrophobicContact CG2-CD2 4.33Å; T35-V74 HydrophobicContact CG2-CB 4.2Å; T35-V74 HydrophobicContact CG2-CG1 3.64Å; T35-V74 HydrophobicContact CG2-CG2 4.32Å
36	F	91.9	Very high	88.6	Confident	44 Å²	44	76.9 Å²	76.9	19%	0.193	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-46.4	174.4	176	-112.8	0	0	0	111.7	F8 N9 G12 I32 E34 L38 V39 S40	F8-F36 HydrophobicContact CD2-CB 4.43Å; F8-F36 AromaticContact CD2-CD2 3.47Å; F8-F36 HydrophobicContact CD2-CD2 3.47Å; F8-F36 VanDerWaalsContact CD2-CD2 3.47Å; F8-F36 HydrophobicContact CD2-CE2 4.21Å; F8-F36 HydrophobicContact CD2-CG 4.4Å; F8-F36 HydrophobicContact CE2-CB 4.25Å; F8-F36 AromaticContact CE2-CD2 3.61Å; F8-F36 HydrophobicContact CE2-CD2 3.61Å; F8-F36 HydrophobicContact CE2-CG 4.43Å; F8-F36 HydrophobicContact CG-CD2 4.29Å; F8-F36 HydrophobicContact CZ-CB 4.38Å; N9-F36 WeakPolarHBondContact O-CE2 3.2Å; G12-F36 VanDerWaalsContact CA-CD2 3.48Å; G12-F36 VanDerWaalsContact CA-CZ 3.41Å; I32-F36 WeakPolarHBondContact O-CB 3.49Å; I32-F36 PolarHBondContact O-N 3.31Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.06Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.4Å; F36-V39 PolarHBondContact O-N 3.05Å; F36-S40 WeakPolarHBondContact O-CB 3.47Å; F36-S40 PolarHBondContact O-N 3.44Å; F36-S40 PolarHBondContact O-OG 3.15Å
37	H	90	Very high	88.4	Confident	98 Å²	98	74.3 Å²	74.3	45%	0.454	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-38.6	-179.4	-168.3	85.6	0	0	0	113.6	R33 E34 T35 K41	R33-H37 WeakPolarHBondContact O-CB 3.3Å; R33-H37 PolarHBondContact O-N 3.46Å; E34-H37 WeakPolarHBondContact O-CB 3.43Å; E34-H37 PolarHBondContact O-N 3.24Å; T35-H37 PolarHBondContact O-N 2.7Å; H37-K41 WeakPolarHBondContact CE1-CE 3.49Å; H37-K41 PolarHBondContact CE1-NZ 3.44Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.17Å; H37-K41 PolarHBondContact NE2-NZ 3.06Å
38	L	88.3	Confident	88.3	Confident	59 Å²	59	73.7 Å²	73.7	31%	0.309	36%	0.364	S	S	.	.	H	α-helix	trans	-69.2	-38.2	178.6	-71.9	172.9	0	0	0	111.8	E34 T35 F36 R42 L50 L63	E34-L38 HydrophobicContact CG-CD1 4.1Å; E34-L38 HydrophobicContact CG-CG 4.37Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.97Å; T35-L38 PolarHBondContact O-N 3.49Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.4Å; L38-R42 WeakPolarHBondContact O-CD 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.46Å; L38-L50 HydrophobicContact CB-CD1 4.34Å; L38-L63 HydrophobicContact CD1-CD1 3.89Å
39	V	90.1	Very high	88.3	Confident	1 Å²	1	74 Å²	74	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-84.8	-41	-176.2	175.1	0	0	0	0	112	F8 T35 F36 K41 R42 L50 Y65 Y72 V74	F8-V39 HydrophobicContact CE2-CB 4.46Å; F8-V39 HydrophobicContact CE2-CG1 4.49Å; F8-V39 HydrophobicContact CZ-CB 4.42Å; T35-V39 WeakPolarHBondContact O-CG2 3.16Å; T35-V39 PolarHBondContact O-N 3.04Å; T35-V39 VanDerWaalsContact O-N 3.13Å; F36-V39 PolarHBondContact O-N 3.05Å; V39-K41 VanDerWaalsContact C-N 3.27Å; V39-K41 PolarHBondContact O-N 3.19Å; V39-R42 PolarHBondContact O-N 3.34Å; V39-L50 HydrophobicContact CG2-CD1 3.91Å; V39-Y65 HydrophobicContact CG1-CD1 4.49Å; V39-Y65 HydrophobicContact CG1-CD2 3.45Å; V39-Y65 VanDerWaalsContact CG1-CD2 3.45Å; V39-Y65 HydrophobicContact CG1-CE2 3.69Å; V39-Y65 HydrophobicContact CG1-CG 3.89Å; V39-Y65 HydrophobicContact CG2-CD1 4.05Å; V39-Y65 HydrophobicContact CG2-CD2 4.38Å; V39-Y65 HydrophobicContact CG2-CG 3.97Å; V39-Y72 HydrophobicContact CG1-CD1 3.27Å; V39-Y72 HydrophobicContact CG1-CE1 3.65Å; V39-Y72 HydrophobicContact CG1-CG 3.83Å; V39-V74 HydrophobicContact CG2-CG2 4.32Å
40	S	88.1	Confident	88.1	Confident	42 Å²	42	71.3 Å²	71.3	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-70.1	-19.4	-171.4	77.4	0	0	0	0	114.8	F36 R42	F36-S40 WeakPolarHBondContact O-CB 3.47Å; F36-S40 PolarHBondContact O-N 3.44Å; F36-S40 PolarHBondContact O-OG 3.15Å; S40-R42 VanDerWaalsContact C-N 3.35Å
41	K	85.6	Confident	87.6	Confident	147 Å²	147	74.9 Å²	74.9	64%	0.639	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.5	-178.8	-74.7	-178.3	166.4	-175.6	0	113.3	H37 V39	H37-K41 WeakPolarHBondContact CE1-CE 3.49Å; H37-K41 PolarHBondContact CE1-NZ 3.44Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.17Å; H37-K41 PolarHBondContact NE2-NZ 3.06Å; V39-K41 VanDerWaalsContact C-N 3.27Å; V39-K41 PolarHBondContact O-N 3.19Å
42	R	85.8	Confident	86.4	Confident	71 Å²	71	74.8 Å²	74.8	27%	0.268	37%	0.369	S	S	.	.	S	Bend	trans	-97	142.8	-171.6	-67.3	177.1	68.5	83.2	-5.7	110.4	L38 V39 S40 V46 C47 Y65	L38-R42 WeakPolarHBondContact O-CD 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.46Å; V39-R42 PolarHBondContact O-N 3.34Å; S40-R42 VanDerWaalsContact C-N 3.35Å; R42-V46 HydrophobicContact CB-CG2 3.76Å; R42-V46 HydrophobicContact CG-CG2 4.31Å; R42-V46 VanDerWaalsContact CZ-CG2 3.45Å; R42-V46 VanDerWaalsContact NH2-CG2 3.28Å; R42-C47 PolarHBondContact NH2-O 3.09Å; R42-C47 PolarHBondContact NH2-SG 2.91Å; R42-Y65 PolarHBondContact NE-OH 2.91Å; R42-Y65 VanDerWaalsContact NE-OH 3.1Å
43	D	84	Confident	84.9	Confident	119 Å²	119	75.7 Å²	75.7	64%	0.636	39%	0.385	S	S	*	.			trans	-74.4	160	173.9	-61.5	-55.9	0	0	0	111.5	N45 V46	D43-N45 PolarHBondContact O-N 3.49Å; D43-N45 VanDerWaalsContact O-N 3.16Å; D43-V46 WeakPolarHBondContact O-CG2 3.46Å; D43-V46 PolarHBondContact O-N 3.11Å
44	D	79.2	Confident	83.3	Confident	130 Å²	130	71.6 Å²	71.6	70%	0.695	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-16	-178.2	-60.6	-29.7	0	0	0	113.6
45	N	82.4	Confident	81.6	Confident	163 Å²	163	72.5 Å²	72.5	87%	0.872	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-1.1	-176.6	-64.4	-39.7	0	0	0	114.1	D43	D43-N45 PolarHBondContact O-N 3.49Å; D43-N45 VanDerWaalsContact O-N 3.16Å
46	V	87.5	Confident	80.1	Confident	57 Å²	57	72.4 Å²	72.4	35%	0.345	39%	0.388	S	S	.	.	S	Bend	trans	-92.2	168.7	-179.8	-58.9	0	0	0	0	112	R42 D43	R42-V46 HydrophobicContact CB-CG2 3.76Å; R42-V46 HydrophobicContact CG-CG2 4.31Å; R42-V46 VanDerWaalsContact CZ-CG2 3.45Å; R42-V46 VanDerWaalsContact NH2-CG2 3.28Å; D43-V46 WeakPolarHBondContact O-CG2 3.46Å; D43-V46 PolarHBondContact O-N 3.11Å
47	C	86.3	Confident	78.1	Confident	74 Å²	74	73.6 Å²	73.6	50%	0.5	41%	0.413	S	S	.	.			trans	-61.2	141.8	-179.2	62.5	0	0	0	0	112.3	R42 F49	R42-C47 PolarHBondContact NH2-O 3.09Å; R42-C47 PolarHBondContact NH2-SG 2.91Å; C47-F49 PolarHBondContact O-N 3.35Å; C47-F49 PolarHBondContact SG-O 3.47Å
48	N	88.3	Confident	76.2	Confident	46 Å²	46	71.5 Å²	71.5	25%	0.246	42%	0.418	C	S	.	.	S	Bend	trans	-77.3	3.4	176.3	-70.5	-30.8	0	0	0	113.6	I64 Y65 L87	N48-I64 WeakPolarHBondContact O-CA 3.11Å; N48-Y65 VanDerWaalsContact CB-O 3.28Å; N48-Y65 WeakPolarHBondContact CB-O 3.28Å; N48-Y65 WeakPolarHBondContact O-CD1 3.39Å; N48-Y65 PolarHBondContact O-N 2.99Å; N48-L87 HydrophobicContact CB-CD1 4.13Å
49	F	90.9	Very high	74.7	Confident	68 Å²	68	70.9 Å²	70.9	30%	0.298	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.4	-175.4	-44.9	-41.3	0	0	0	109.1	C47 I64 E83 L84 L87	C47-F49 PolarHBondContact O-N 3.35Å; C47-F49 PolarHBondContact SG-O 3.47Å; F49-I64 HydrophobicContact CB-CD1 4.22Å; F49-I64 HydrophobicContact CD1-CD1 3.42Å; F49-I64 VanDerWaalsContact CD1-CD1 3.42Å; F49-I64 HydrophobicContact CD1-CG2 4.05Å; F49-I64 HydrophobicContact CE1-CD1 4.13Å; F49-I64 HydrophobicContact CE1-CG2 4.06Å; F49-I64 HydrophobicContact CG-CD1 4.13Å; F49-E83 HydrophobicContact CD1-CB 3.72Å; F49-E83 HydrophobicContact CD1-CG 4.3Å; F49-E83 HydrophobicContact CD2-CB 4.17Å; F49-E83 HydrophobicContact CE1-CB 3.59Å; F49-E83 HydrophobicContact CE2-CB 4.08Å; F49-E83 HydrophobicContact CG-CB 4Å; F49-E83 HydrophobicContact CG-CG 4.23Å; F49-E83 HydrophobicContact CZ-CB 3.78Å; F49-L84 HydrophobicContact CZ-CD2 3.88Å; F49-L84 HydrophobicContact CZ-CG 4.4Å; F49-L87 HydrophobicContact CE1-CB 4.38Å; F49-L87 HydrophobicContact CE1-CD2 4.22Å; F49-L87 HydrophobicContact CZ-CD2 4.31Å
50	L	87.6	Confident	73.8	Confident	24 Å²	24	77 Å²	77	13%	0.126	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.7	-178.7	-75.9	168.7	0	0	0	108.2	L38 V39 G52 K62 L63 Y65	L38-L50 HydrophobicContact CB-CD1 4.34Å; V39-L50 HydrophobicContact CG2-CD1 3.91Å; L50-G52 PolarHBondContact O-N 3.08Å; L50-K62 CarbonylContact O-C 3.49Å; L50-K62 WeakPolarHBondContact O-CA 3.45Å; L50-L63 HydrophobicContact CB-CB 3.93Å; L50-L63 PolarHBondContact N-O 3.37Å; L50-L63 PolarHBondContact O-N 2.98Å; L50-Y65 HydrophobicContact CD1-CD1 3.86Å; L50-Y65 HydrophobicContact CD1-CE1 3.7Å; L50-Y65 HydrophobicContact CG-CD1 4.41Å; L50-Y65 HydrophobicContact CG-CE1 4.11Å
51	E	81.1	Confident	73.5	Confident	169 Å²	169	75.3 Å²	75.3	79%	0.79	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.7	165.9	-71	-178.6	170.4	0	0	107.5	G53	E51-G53 PolarHBondContact O-N 3.45Å; E51-G53 VanDerWaalsContact O-N 3.1Å
52	G	63.6	Low	73.7	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.01	42%	0.417	C	S	.	.			trans	-72.2	-1.6	-167.4	0	0	0	0	0	114.9	L50 Y61	L50-G52 PolarHBondContact O-N 3.08Å; G52-Y61 VanDerWaalsContact C-CZ 3.41Å; G52-Y61 PolarHBondContact N-O 3.15Å; G52-Y61 WeakPolarHBondContact O-CE2 3.5Å; G52-Y61 PolarHBondContact O-OH 2.96Å
53	G	61.7	Low	74	Confident	46 Å²	46	67.1 Å²	67.1	47%	0.474	41%	0.405	S	S	.	.			trans	76	-166.8	-172	0	0	0	0	0	112.1	E51 Y61	E51-G53 PolarHBondContact O-N 3.45Å; E51-G53 VanDerWaalsContact O-N 3.1Å; G53-Y61 WeakPolarHBondContact O-CD1 3.19Å; G53-Y61 WeakPolarHBondContact O-CE1 3.3Å
54	S	56.1	Low	74.6	Confident	87 Å²	87	61.4 Å²	61.4	61%	0.608	37%	0.374	S	S	*	.	S	Bend	trans	-96.4	5.5	-170.9	-143.4	0	0	0	0	114.1	G58	S54-G58 WeakPolarHBondContact O-CA 3.45Å; S54-G58 PolarHBondContact O-N 3.13Å
55	L	54.8	Low	75.3	Confident	73 Å²	73	55.8 Å²	55.8	38%	0.382	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-27.3	-163.2	-82.8	162.5	0	0	0	115.4	Q30 E34 G57	Q30-L55 VanDerWaalsContact NE2-CD2 3.29Å; E34-L55 VanDerWaalsContact CD-CD1 3.42Å; E34-L55 VanDerWaalsContact OE1-CD1 3.26Å; E34-L55 WeakPolarHBondContact OE1-CD1 3.26Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.28Å; L55-G57 PolarHBondContact O-N 3.29Å
56	I	58.1	Low	75.9	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	74.1	164.1	-55.1	179.2	0	0	0	108.9	K3 F23 I31 G58 S59 Y61 C76	K3-I56 HydrophobicContact CD-CG2 3.53Å; F23-I56 HydrophobicContact CE1-CG2 3.52Å; F23-I56 HydrophobicContact CZ-CG2 3.46Å; F23-I56 VanDerWaalsContact CZ-CG2 3.46Å; I31-I56 HydrophobicContact CD1-CD1 4.3Å; I31-I56 HydrophobicContact CD1-CG1 3.82Å; I31-I56 HydrophobicContact CG1-CD1 4.49Å; I31-I56 HydrophobicContact CG1-CG1 3.98Å; I31-I56 HydrophobicContact CG2-CD1 4.25Å; I56-G58 PolarHBondContact O-N 3.5Å; I56-S59 PolarHBondContact O-OG 3.02Å; I56-Y61 HydrophobicContact CB-CD1 3.55Å; I56-Y61 HydrophobicContact CB-CD2 4.45Å; I56-Y61 HydrophobicContact CB-CE1 3.41Å; I56-Y61 VanDerWaalsContact CB-CE1 3.41Å; I56-Y61 HydrophobicContact CB-CE2 4.32Å; I56-Y61 HydrophobicContact CB-CG 4.06Å; I56-Y61 HydrophobicContact CD1-CD1 4.31Å; I56-Y61 HydrophobicContact CD1-CD2 3.62Å; I56-Y61 HydrophobicContact CD1-CE1 4.15Å; I56-Y61 HydrophobicContact CD1-CE2 3.41Å; I56-Y61 VanDerWaalsContact CD1-CE2 3.41Å; I56-Y61 HydrophobicContact CD1-CG 4.04Å; I56-Y61 HydrophobicContact CG1-CD1 4.08Å; I56-Y61 HydrophobicContact CG1-CD2 4.2Å; I56-Y61 HydrophobicContact CG1-CE1 3.63Å; I56-Y61 HydrophobicContact CG1-CE2 3.74Å; I56-Y61 HydrophobicContact CG1-CG 4.32Å; I56-Y61 VanDerWaalsContact CG1-CZ 3.41Å; I56-C76 HydrophobicContact CD1-CB 4.25Å
57	G	50.4	Low	76.2	Confident	68 Å²	68	52 Å²	52	70%	0.701	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	27.8	164	0	0	0	0	0	116.9	L55 S59	L55-G57 PolarHBondContact O-N 3.29Å; G57-S59 PolarHBondContact O-N 2.9Å
58	G	51.3	Low	76.5	Confident	55 Å²	55	50.7 Å²	50.7	57%	0.567	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-0.3	177.1	0	0	0	0	0	115.2	S54 I56	S54-G58 WeakPolarHBondContact O-CA 3.45Å; S54-G58 PolarHBondContact O-N 3.13Å; I56-G58 PolarHBondContact O-N 3.5Å
59	S	57	Low	76.7	Confident	46 Å²	46	52.9 Å²	52.9	32%	0.322	32%	0.322	S	S	.	.	S	Bend	trans	-90.7	140.8	174.5	53.2	0	0	0	0	110.9	I56 G57 Y61	I56-S59 PolarHBondContact O-OG 3.02Å; G57-S59 PolarHBondContact O-N 2.9Å; S59-Y61 WeakPolarHBondContact O-CD1 3.36Å; S59-Y61 PolarHBondContact O-N 3.28Å
60	D	71.1	Confident	76.7	Confident	130 Å²	130	52.4 Å²	52.4	70%	0.695	33%	0.325	S	S	*	.			trans	-62.5	101.8	174.5	-56.6	-49.3	0	0	0	110.4	S79	D60-S79 WeakPolarHBondContact O-CB 3.35Å; D60-S79 PolarHBondContact O-N 3.08Å; D60-S79 PolarHBondContact O-OG 3.3Å
61	Y	81.6	Confident	77	Confident	6 Å²	6	51.8 Å²	51.8	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153.9	171.5	68.3	-80.9	0	0	0	110.7	G52 G53 I56 S59 L63 V77	G52-Y61 VanDerWaalsContact C-CZ 3.41Å; G52-Y61 PolarHBondContact N-O 3.15Å; G52-Y61 WeakPolarHBondContact O-CE2 3.5Å; G52-Y61 PolarHBondContact O-OH 2.96Å; G53-Y61 WeakPolarHBondContact O-CD1 3.19Å; G53-Y61 WeakPolarHBondContact O-CE1 3.3Å; I56-Y61 HydrophobicContact CB-CD1 3.55Å; I56-Y61 HydrophobicContact CB-CD2 4.45Å; I56-Y61 HydrophobicContact CB-CE1 3.41Å; I56-Y61 VanDerWaalsContact CB-CE1 3.41Å; I56-Y61 HydrophobicContact CB-CE2 4.32Å; I56-Y61 HydrophobicContact CB-CG 4.06Å; I56-Y61 HydrophobicContact CD1-CD1 4.31Å; I56-Y61 HydrophobicContact CD1-CD2 3.62Å; I56-Y61 HydrophobicContact CD1-CE1 4.15Å; I56-Y61 HydrophobicContact CD1-CE2 3.41Å; I56-Y61 VanDerWaalsContact CD1-CE2 3.41Å; I56-Y61 HydrophobicContact CD1-CG 4.04Å; I56-Y61 HydrophobicContact CG1-CD1 4.08Å; I56-Y61 HydrophobicContact CG1-CD2 4.2Å; I56-Y61 HydrophobicContact CG1-CE1 3.63Å; I56-Y61 HydrophobicContact CG1-CE2 3.74Å; I56-Y61 HydrophobicContact CG1-CG 4.32Å; I56-Y61 VanDerWaalsContact CG1-CZ 3.41Å; S59-Y61 WeakPolarHBondContact O-CD1 3.36Å; S59-Y61 PolarHBondContact O-N 3.28Å; Y61-L63 HydrophobicContact CD2-CD2 4.18Å; Y61-L63 HydrophobicContact CD2-CG 4.36Å; Y61-L63 HydrophobicContact CE2-CD2 4.02Å; Y61-L63 HydrophobicContact CE2-CG 4.17Å; Y61-V77 CarbonylContact C-O 3.55Å; Y61-V77 WeakPolarHBondContact CA-O 3.31Å; Y61-V77 WeakPolarHBondContact CB-O 3.47Å
62	K	89.8	Confident	77.7	Confident	44 Å²	44	44.9 Å²	44.9	19%	0.191	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.7	178	-63	174.9	-178.3	169.9	0	109	L50 I64 V77 S79 E83	L50-K62 CarbonylContact O-C 3.49Å; L50-K62 WeakPolarHBondContact O-CA 3.45Å; K62-I64 HydrophobicContact CB-CD1 4.44Å; K62-V77 HydrophobicContact CB-CG2 4.13Å; K62-V77 PolarHBondContact N-O 3.08Å; K62-V77 PolarHBondContact O-N 3.48Å; K62-S79 PolarHBondContact NZ-O 3.13Å; K62-E83 HydrophobicContact CD-CG 4.12Å; K62-E83 WeakPolarHBondContact CD-OE1 3.42Å; K62-E83 WeakPolarHBondContact CE-OE1 3.19Å; K62-E83 IonicContact NZ-OE1 2.87Å; K62-E83 PolarHBondContact NZ-OE1 3.35Å
63	L	92.3	Very high	79.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.8	171.3	-62	174.5	0	0	0	107.3	T35 L38 L50 Y61 V74 C76	T35-L63 HydrophobicContact CG2-CD1 4.25Å; T35-L63 HydrophobicContact CG2-CD2 4.33Å; L38-L63 HydrophobicContact CD1-CD1 3.89Å; L50-L63 HydrophobicContact CB-CB 3.93Å; L50-L63 PolarHBondContact N-O 3.37Å; L50-L63 PolarHBondContact O-N 2.98Å; Y61-L63 HydrophobicContact CD2-CD2 4.18Å; Y61-L63 HydrophobicContact CD2-CG 4.36Å; Y61-L63 HydrophobicContact CE2-CD2 4.02Å; Y61-L63 HydrophobicContact CE2-CG 4.17Å; L63-V74 HydrophobicContact CB-CG1 4.41Å; L63-V74 HydrophobicContact CD2-CG1 4.3Å; L63-C76 HydrophobicContact CD2-CB 3.95Å; L63-C76 WeakPolarHBondContact CD2-SG 3.48Å
64	I	94.9	Very high	80.9	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.4	174.4	-49	-60	0	0	0	106.4	N48 F49 K62 V74 F75 V77 E83 I86 L87 I90	N48-I64 WeakPolarHBondContact O-CA 3.11Å; F49-I64 HydrophobicContact CB-CD1 4.22Å; F49-I64 HydrophobicContact CD1-CD1 3.42Å; F49-I64 VanDerWaalsContact CD1-CD1 3.42Å; F49-I64 HydrophobicContact CD1-CG2 4.05Å; F49-I64 HydrophobicContact CE1-CD1 4.13Å; F49-I64 HydrophobicContact CE1-CG2 4.06Å; F49-I64 HydrophobicContact CG-CD1 4.13Å; K62-I64 HydrophobicContact CB-CD1 4.44Å; I64-V74 WeakPolarHBondContact O-CA 3.2Å; I64-F75 PolarHBondContact N-O 3.07Å; I64-F75 PolarHBondContact O-N 3.22Å; I64-V77 HydrophobicContact CG1-CG2 3.97Å; I64-E83 HydrophobicContact CD1-CB 3.66Å; I64-E83 HydrophobicContact CD1-CG 3.59Å; I64-I86 HydrophobicContact CB-CB 4.34Å; I64-I86 HydrophobicContact CB-CG2 3.75Å; I64-I86 HydrophobicContact CG1-CB 4.13Å; I64-I86 HydrophobicContact CG1-CG2 3.91Å; I64-I86 HydrophobicContact CG2-CB 4.25Å; I64-I86 HydrophobicContact CG2-CG2 3.94Å; I64-L87 HydrophobicContact CG2-CB 4.15Å; I64-L87 HydrophobicContact CG2-CD1 4.22Å; I64-I90 HydrophobicContact CG2-CD1 4.13Å
65	Y	95.3	Very high	82.8	Confident	11 Å²	11	38.9 Å²	38.9	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.8	-177.6	78.8	-82.8	0	0	0	113.3	V39 R42 N48 L50 Y72 F73	V39-Y65 HydrophobicContact CG1-CD1 4.49Å; V39-Y65 HydrophobicContact CG1-CD2 3.45Å; V39-Y65 VanDerWaalsContact CG1-CD2 3.45Å; V39-Y65 HydrophobicContact CG1-CE2 3.69Å; V39-Y65 HydrophobicContact CG1-CG 3.89Å; V39-Y65 HydrophobicContact CG2-CD1 4.05Å; V39-Y65 HydrophobicContact CG2-CD2 4.38Å; V39-Y65 HydrophobicContact CG2-CG 3.97Å; R42-Y65 PolarHBondContact NE-OH 2.91Å; R42-Y65 VanDerWaalsContact NE-OH 3.1Å; N48-Y65 VanDerWaalsContact CB-O 3.28Å; N48-Y65 WeakPolarHBondContact CB-O 3.28Å; N48-Y65 WeakPolarHBondContact O-CD1 3.39Å; N48-Y65 PolarHBondContact O-N 2.99Å; L50-Y65 HydrophobicContact CD1-CD1 3.86Å; L50-Y65 HydrophobicContact CD1-CE1 3.7Å; L50-Y65 HydrophobicContact CG-CD1 4.41Å; L50-Y65 HydrophobicContact CG-CE1 4.11Å; Y65-Y72 HydrophobicContact CD2-CD1 4.41Å; Y65-F73 CarbonylContact C-O 3.57Å; Y65-F73 WeakPolarHBondContact CA-O 3.47Å
66	R	94.9	Very high	84.6	Confident	86 Å²	86	35.4 Å²	35.4	33%	0.325	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.9	167.4	-167.2	158.1	176.8	-173.2	0.9	110.7	Y68 F73 L87 I90 Q91	R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.7Å; R66-Y68 VanDerWaalsContact CD-OH 3.24Å; R66-Y68 WeakPolarHBondContact CD-OH 3.29Å; R66-Y68 HydrophobicContact CG-CD2 4.16Å; R66-Y68 HydrophobicContact CG-CE2 3.54Å; R66-Y68 PolarHBondContact NE-OH 3.46Å; R66-Y68 PolarHBondContact NH1-OH 2.91Å; R66-F73 PolarHBondContact N-O 3.05Å; R66-F73 PolarHBondContact O-N 3.11Å; R66-L87 HydrophobicContact CB-CD1 4.27Å; R66-I90 HydrophobicContact CB-CG2 4.08Å; R66-Q91 VanDerWaalsContact CZ-OE1 3.26Å
67	H	93.4	Very high	86.3	Confident	54 Å²	54	35.3 Å²	35.3	25%	0.25	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.8	178	-171.4	-130.1	0	0	0	110	N10 A69 L71 Y72	N10-H67 PolarHBondContact OD1-NE2 2.79Å; H67-A69 PolarHBondContact CE1-O 3.29Å; H67-A69 PolarHBondContact NE2-O 3.36Å; H67-L71 PolarHBondContact CD2-O 2.92Å; H67-Y72 HydrophobicContact CB-CD1 3.89Å; H67-Y72 HydrophobicContact CB-CE1 3.81Å; H67-Y72 AromaticContact CD2-CD1 3.41Å; H67-Y72 VanDerWaalsContact CD2-CD1 3.41Å; H67-Y72 WeakPolarHBondContact CD2-CD1 3.5Å; H67-Y72 AromaticContact CD2-CE1 3.23Å; H67-Y72 WeakPolarHBondContact CD2-CE1 2.85Å; H67-Y72 AromaticContact CD2-CE2 3.86Å; H67-Y72 AromaticContact CD2-CG 3.82Å; H67-Y72 AromaticContact CD2-CZ 3.47Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.47Å; H67-Y72 AromaticContact CG-CD1 3.91Å; H67-Y72 AromaticContact CG-CE1 3.58Å; H67-Y72 AromaticContact NE2-CE1 3.88Å; H67-Y72 AromaticContact NE2-CE2 3.93Å; H67-Y72 AromaticContact NE2-CZ 3.64Å
68	Y	93	Very high	88.2	Confident	47 Å²	47	33.6 Å²	33.6	18%	0.184	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	110.8	175.6	-66.2	-88.7	0	0	0	108.6	R66 T70 L71 F73 I90 Q91 V94	R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.7Å; R66-Y68 VanDerWaalsContact CD-OH 3.24Å; R66-Y68 WeakPolarHBondContact CD-OH 3.29Å; R66-Y68 HydrophobicContact CG-CD2 4.16Å; R66-Y68 HydrophobicContact CG-CE2 3.54Å; R66-Y68 PolarHBondContact NE-OH 3.46Å; R66-Y68 PolarHBondContact NH1-OH 2.91Å; Y68-T70 PolarHBondContact O-N 3.29Å; Y68-L71 PolarHBondContact N-O 3.1Å; Y68-L71 PolarHBondContact O-N 3.33Å; Y68-F73 AromaticContact CD2-CD2 3.59Å; Y68-F73 HydrophobicContact CD2-CD2 3.59Å; Y68-F73 HydrophobicContact CD2-CE2 4.02Å; Y68-F73 HydrophobicContact CD2-CG 4.27Å; Y68-F73 HydrophobicContact CE2-CD2 4.29Å; Y68-F73 HydrophobicContact CG-CD2 4.46Å; Y68-I90 HydrophobicContact CE2-CG2 3.83Å; Y68-Q91 PolarHBondContact OH-OE1 2.98Å; Y68-V94 HydrophobicContact CD1-CG1 4.03Å; Y68-V94 HydrophobicContact CD2-CG2 3.95Å; Y68-V94 HydrophobicContact CE1-CB 4.43Å; Y68-V94 HydrophobicContact CE1-CG1 3.98Å; Y68-V94 HydrophobicContact CE2-CB 4.34Å; Y68-V94 HydrophobicContact CE2-CG1 4.47Å; Y68-V94 HydrophobicContact CE2-CG2 3.65Å; Y68-V94 HydrophobicContact CG-CG1 4.28Å
69	A	91	Very high	89.9	Confident	92 Å²	92	33.5 Å²	33.5	76%	0.76	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	-96.3	-178.5	0	0	0	0	0	113.6	H67	H67-A69 PolarHBondContact CE1-O 3.29Å; H67-A69 PolarHBondContact NE2-O 3.36Å
70	T	91.4	Very high	91.4	Very high	58 Å²	58	36.4 Å²	36.4	36%	0.356	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	3.3	-179.3	62.2	0	0	0	0	113.9	N9 N10 Y68 E106	N9-T70 CarbonylContact C-O 3.54Å; N9-T70 WeakPolarHBondContact CA-O 3.41Å; N10-T70 PolarHBondContact N-O 3.22Å; N10-T70 PolarHBondContact OD1-O 2.92Å; Y68-T70 PolarHBondContact O-N 3.29Å; T70-E106 WeakPolarHBondContact CB-OE2 3.42Å; T70-E106 PolarHBondContact OG1-OE2 2.97Å
71	L	94.9	Very high	92.4	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.6	-171.5	-64.2	176.2	0	0	0	111.9	I7 N9 R15 H67 Y68 F73 E106 L109	I7-L71 HydrophobicContact CG2-CB 4.31Å; I7-L71 HydrophobicContact CG2-CD1 4.45Å; I7-L71 HydrophobicContact CG2-CD2 4.25Å; N9-L71 HydrophobicContact CB-CD2 4.08Å; R15-L71 HydrophobicContact CG-CD2 3.81Å; H67-L71 PolarHBondContact CD2-O 2.92Å; Y68-L71 PolarHBondContact N-O 3.1Å; Y68-L71 PolarHBondContact O-N 3.33Å; L71-F73 HydrophobicContact CB-CD2 4.22Å; L71-F73 HydrophobicContact CB-CE2 3.75Å; L71-F73 HydrophobicContact CD1-CE2 4.14Å; L71-F73 HydrophobicContact CD1-CZ 4.36Å; L71-E106 HydrophobicContact CD1-CB 4.25Å; L71-E106 HydrophobicContact CD2-CB 4.23Å; L71-E106 HydrophobicContact CD2-CG 3.92Å; L71-E106 HydrophobicContact CG-CB 4.29Å; L71-L109 HydrophobicContact CD1-CD2 3.72Å
72	Y	95.2	Very high	93	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.4	166.8	-64.7	-79.6	0	0	0	109	I7 F8 N10 V39 Y65 H67	I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.09Å; F8-Y72 AromaticContact CD2-CD2 3.82Å; F8-Y72 HydrophobicContact CD2-CD2 3.82Å; F8-Y72 HydrophobicContact CD2-CG 4.09Å; F8-Y72 AromaticContact CE2-CD2 3.8Å; F8-Y72 HydrophobicContact CE2-CD2 3.8Å; F8-Y72 AromaticContact CE2-CG 3.74Å; F8-Y72 HydrophobicContact CE2-CG 3.74Å; F8-Y72 PolarHBondContact N-O 2.93Å; F8-Y72 VanDerWaalsContact N-O 3.15Å; F8-Y72 PolarHBondContact O-N 3.23Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.21Å; V39-Y72 HydrophobicContact CG1-CD1 3.27Å; V39-Y72 HydrophobicContact CG1-CE1 3.65Å; V39-Y72 HydrophobicContact CG1-CG 3.83Å; Y65-Y72 HydrophobicContact CD2-CD1 4.41Å; H67-Y72 HydrophobicContact CB-CD1 3.89Å; H67-Y72 HydrophobicContact CB-CE1 3.81Å; H67-Y72 AromaticContact CD2-CD1 3.41Å; H67-Y72 VanDerWaalsContact CD2-CD1 3.41Å; H67-Y72 WeakPolarHBondContact CD2-CD1 3.5Å; H67-Y72 AromaticContact CD2-CE1 3.23Å; H67-Y72 WeakPolarHBondContact CD2-CE1 2.85Å; H67-Y72 AromaticContact CD2-CE2 3.86Å; H67-Y72 AromaticContact CD2-CG 3.82Å; H67-Y72 AromaticContact CD2-CZ 3.47Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.47Å; H67-Y72 AromaticContact CG-CD1 3.91Å; H67-Y72 AromaticContact CG-CE1 3.58Å; H67-Y72 AromaticContact NE2-CE1 3.88Å; H67-Y72 AromaticContact NE2-CE2 3.93Å; H67-Y72 AromaticContact NE2-CZ 3.64Å
73	F	96.9	Very high	93.1	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.9	171.6	-73.1	-107.8	0	0	0	107.7	I7 Y65 R66 Y68 L71 I90 F93 V94 L97	I7-F73 HydrophobicContact CD1-CD1 3.82Å; I7-F73 HydrophobicContact CD1-CE1 3.51Å; I7-F73 HydrophobicContact CD1-CZ 4.2Å; I7-F73 HydrophobicContact CG1-CD1 3.88Å; I7-F73 HydrophobicContact CG1-CE1 4.06Å; I7-F73 HydrophobicContact CG1-CG 4.43Å; I7-F73 HydrophobicContact CG2-CD2 4.49Å; I7-F73 HydrophobicContact CG2-CE1 4.44Å; I7-F73 HydrophobicContact CG2-CE2 4.35Å; I7-F73 HydrophobicContact CG2-CZ 4.32Å; Y65-F73 CarbonylContact C-O 3.57Å; Y65-F73 WeakPolarHBondContact CA-O 3.47Å; R66-F73 PolarHBondContact N-O 3.05Å; R66-F73 PolarHBondContact O-N 3.11Å; Y68-F73 AromaticContact CD2-CD2 3.59Å; Y68-F73 HydrophobicContact CD2-CD2 3.59Å; Y68-F73 HydrophobicContact CD2-CE2 4.02Å; Y68-F73 HydrophobicContact CD2-CG 4.27Å; Y68-F73 HydrophobicContact CE2-CD2 4.29Å; Y68-F73 HydrophobicContact CG-CD2 4.46Å; L71-F73 HydrophobicContact CB-CD2 4.22Å; L71-F73 HydrophobicContact CB-CE2 3.75Å; L71-F73 HydrophobicContact CD1-CE2 4.14Å; L71-F73 HydrophobicContact CD1-CZ 4.36Å; F73-I90 HydrophobicContact CB-CG2 3.84Å; F73-I90 HydrophobicContact CG-CG2 4.5Å; F73-F93 HydrophobicContact CD1-CD1 4.05Å; F73-F93 HydrophobicContact CD1-CE1 4.09Å; F73-F93 HydrophobicContact CE1-CD1 4.06Å; F73-F93 AromaticContact CE1-CE1 3.89Å; F73-F93 HydrophobicContact CE1-CE1 3.89Å; F73-V94 HydrophobicContact CD1-CG2 3.75Å; F73-V94 HydrophobicContact CD2-CG2 4.18Å; F73-V94 HydrophobicContact CE1-CG2 3.54Å; F73-V94 HydrophobicContact CE2-CG2 3.99Å; F73-V94 HydrophobicContact CG-CG2 4.06Å; F73-V94 HydrophobicContact CZ-CG2 3.68Å; F73-L97 HydrophobicContact CE1-CD1 4.04Å; F73-L97 HydrophobicContact CZ-CD1 4.36Å
74	V	95.8	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126	-174.2	-168.1	0	0	0	0	111.2	L6 F8 T35 V39 L63 I64	L6-V74 HydrophobicContact CB-CB 4.46Å; L6-V74 PolarHBondContact N-O 2.87Å; L6-V74 PolarHBondContact O-N 3.29Å; F8-V74 HydrophobicContact CE1-CB 4.25Å; F8-V74 HydrophobicContact CE1-CG2 3.61Å; F8-V74 HydrophobicContact CE2-CG2 4.22Å; F8-V74 HydrophobicContact CZ-CB 4.39Å; F8-V74 HydrophobicContact CZ-CG2 3.34Å; T35-V74 HydrophobicContact CG2-CB 4.2Å; T35-V74 HydrophobicContact CG2-CG1 3.64Å; T35-V74 HydrophobicContact CG2-CG2 4.32Å; V39-V74 HydrophobicContact CG2-CG2 4.32Å; L63-V74 HydrophobicContact CB-CG1 4.41Å; L63-V74 HydrophobicContact CD2-CG1 4.3Å; I64-V74 WeakPolarHBondContact O-CA 3.2Å
75	F	95.9	Very high	93.3	Very high	1 Å²	1	45 Å²	45	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.5	177	-79.2	48.9	0	0	0	108	I2 I5 I64 V77 I86 L89 I90	I2-F75 HydrophobicContact CD1-CD2 4.2Å; I2-F75 HydrophobicContact CD1-CE2 4.38Å; I2-F75 HydrophobicContact CG2-CD2 4.42Å; I5-F75 HydrophobicContact CB-CE1 4.45Å; I5-F75 HydrophobicContact CD1-CD2 3.96Å; I5-F75 HydrophobicContact CD1-CE1 4.28Å; I5-F75 HydrophobicContact CD1-CE2 3.45Å; I5-F75 VanDerWaalsContact CD1-CE2 3.45Å; I5-F75 HydrophobicContact CD1-CZ 3.64Å; I5-F75 HydrophobicContact CG1-CD1 4.18Å; I5-F75 HydrophobicContact CG1-CD2 3.85Å; I5-F75 HydrophobicContact CG1-CE1 4.14Å; I5-F75 HydrophobicContact CG1-CE2 3.82Å; I5-F75 HydrophobicContact CG1-CG 4.03Å; I5-F75 HydrophobicContact CG1-CZ 3.97Å; I5-F75 HydrophobicContact CG2-CD1 4Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CZ 3.95Å; I64-F75 PolarHBondContact N-O 3.07Å; I64-F75 PolarHBondContact O-N 3.22Å; F75-V77 HydrophobicContact CB-CG1 4.26Å; F75-I86 HydrophobicContact CB-CG2 3.54Å; F75-I86 HydrophobicContact CD2-CG2 3.91Å; F75-I86 HydrophobicContact CG-CG2 3.98Å; F75-L89 HydrophobicContact CD2-CD2 4.36Å; F75-L89 HydrophobicContact CE2-CD2 3.82Å; F75-L89 HydrophobicContact CE2-CG 4.27Å; F75-I90 HydrophobicContact CB-CD1 4.38Å; F75-I90 HydrophobicContact CD1-CD1 3.83Å; F75-I90 HydrophobicContact CD1-CG1 3.48Å; F75-I90 VanDerWaalsContact CD1-CG1 3.48Å; F75-I90 HydrophobicContact CD2-CG1 4.45Å; F75-I90 HydrophobicContact CE1-CD1 4.41Å; F75-I90 HydrophobicContact CE1-CG1 3.59Å; F75-I90 HydrophobicContact CG-CD1 4.19Å; F75-I90 HydrophobicContact CG-CG1 3.97Å; F75-I90 HydrophobicContact CZ-CG1 4.11Å
76	C	93.4	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.3	173.5	-52.1	0	0	0	0	107.9	K3 A4 I56 L63	K3-C76 PolarHBondContact N-O 3.47Å; A4-C76 HydrophobicContact CB-CB 4Å; A4-C76 PolarHBondContact N-O 2.95Å; A4-C76 PolarHBondContact O-N 3.2Å; I56-C76 HydrophobicContact CD1-CB 4.25Å; L63-C76 HydrophobicContact CD2-CB 3.95Å; L63-C76 WeakPolarHBondContact CD2-SG 3.48Å
77	V	93	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.4	-172.9	-56.8	0	0	0	0	111.4	M1 I2 Y61 K62 I64 F75 E81 I86	M1-V77 WeakPolarHBondContact O-CA 3.48Å; I2-V77 HydrophobicContact CB-CG1 4.42Å; I2-V77 HydrophobicContact CG1-CG1 3.98Å; I2-V77 HydrophobicContact CG2-CG1 4.45Å; Y61-V77 CarbonylContact C-O 3.55Å; Y61-V77 WeakPolarHBondContact CA-O 3.31Å; Y61-V77 WeakPolarHBondContact CB-O 3.47Å; K62-V77 HydrophobicContact CB-CG2 4.13Å; K62-V77 PolarHBondContact N-O 3.08Å; K62-V77 PolarHBondContact O-N 3.48Å; I64-V77 HydrophobicContact CG1-CG2 3.97Å; F75-V77 HydrophobicContact CB-CG1 4.26Å; V77-E81 HydrophobicContact CB-CB 4.13Å; V77-E81 HydrophobicContact CB-CG 4.12Å; V77-E81 HydrophobicContact CG2-CB 4.19Å; V77-I86 HydrophobicContact CG1-CD1 3.94Å; V77-I86 HydrophobicContact CG1-CG1 3.93Å; V77-I86 HydrophobicContact CG1-CG2 4.06Å; V77-I86 HydrophobicContact CG2-CG1 4.43Å
78	D	90.1	Very high	93.5	Very high	33 Å²	33	44.3 Å²	44.3	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	155.9	170.6	-63	-40.5	0	0	0	111.3	M1 K3 S80 E81	M1-D78 WeakPolarHBondContact CA-OD2 3.43Å; M1-D78 WeakPolarHBondContact CB-OD2 3.46Å; M1-D78 PolarHBondContact N-OD2 2.86Å; M1-D78 PolarHBondContact O-N 2.88Å; K3-D78 WeakPolarHBondContact CE-OD1 3.41Å; K3-D78 IonicContact NZ-OD1 2.69Å; K3-D78 PolarHBondContact NZ-OD1 3.39Å; D78-S80 PolarHBondContact O-N 3.25Å; D78-E81 PolarHBondContact O-N 3.16Å; D78-E81 VanDerWaalsContact O-N 3.09Å
79	S	87.3	Confident	93.7	Very high	53 Å²	53	42.5 Å²	42.5	37%	0.371	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.9	175.4	58.3	0	0	0	0	114.9	D60 K62	D60-S79 WeakPolarHBondContact O-CB 3.35Å; D60-S79 PolarHBondContact O-N 3.08Å; D60-S79 PolarHBondContact O-OG 3.3Å; K62-S79 PolarHBondContact NZ-O 3.13Å
80	S	88.5	Confident	94	Very high	107 Å²	107	38.1 Å²	38.1	75%	0.748	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.8	178.1	-49.9	0	0	0	0	114.3	D78	D78-S80 PolarHBondContact O-N 3.25Å
81	E	91.6	Very high	94.2	Very high	71 Å²	71	37.6 Å²	37.6	33%	0.332	22%	0.22	S	C	.	.	S	Bend	trans	-81.8	147.8	178	-61.9	-58.3	152.3	0	0	111.5	M1 V77 D78 E83 I86	M1-E81 WeakPolarHBondContact CA-OE1 3.42Å; M1-E81 PolarHBondContact N-OE1 2.88Å; V77-E81 HydrophobicContact CB-CB 4.13Å; V77-E81 HydrophobicContact CB-CG 4.12Å; V77-E81 HydrophobicContact CG2-CB 4.19Å; D78-E81 PolarHBondContact O-N 3.16Å; D78-E81 VanDerWaalsContact O-N 3.09Å; E81-E83 PolarHBondContact O-N 3.27Å; E81-I86 HydrophobicContact CB-CG1 4.28Å
82	S	93.7	Very high	94.2	Very high	72 Å²	72	37.8 Å²	37.8	50%	0.503	22%	0.222	S	C	.	.			trans	-73.9	121	174.6	174.5	0	0	0	0	110.8	L84 G85 I86	S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 3.46Å; S82-G85 PolarHBondContact O-N 3.06Å; S82-G85 VanDerWaalsContact O-N 3.16Å; S82-G85 PolarHBondContact OG-N 3.18Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å; S82-I86 PolarHBondContact O-N 2.79Å; S82-I86 VanDerWaalsContact O-N 3.08Å
83	E	92.9	Very high	94.3	Very high	58 Å²	58	36.7 Å²	36.7	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-40	-179.1	-62	94.2	161.5	0	0	112.4	F49 K62 I64 E81 I86 L87	F49-E83 HydrophobicContact CD1-CB 3.72Å; F49-E83 HydrophobicContact CD1-CG 4.3Å; F49-E83 HydrophobicContact CD2-CB 4.17Å; F49-E83 HydrophobicContact CE1-CB 3.59Å; F49-E83 HydrophobicContact CE2-CB 4.08Å; F49-E83 HydrophobicContact CG-CB 4Å; F49-E83 HydrophobicContact CG-CG 4.23Å; F49-E83 HydrophobicContact CZ-CB 3.78Å; K62-E83 HydrophobicContact CD-CG 4.12Å; K62-E83 WeakPolarHBondContact CD-OE1 3.42Å; K62-E83 WeakPolarHBondContact CE-OE1 3.19Å; K62-E83 IonicContact NZ-OE1 2.87Å; K62-E83 PolarHBondContact NZ-OE1 3.35Å; I64-E83 HydrophobicContact CD1-CB 3.66Å; I64-E83 HydrophobicContact CD1-CG 3.59Å; E81-E83 PolarHBondContact O-N 3.27Å; E83-I86 PolarHBondContact O-N 3.23Å; E83-L87 WeakPolarHBondContact O-CB 3.36Å; E83-L87 PolarHBondContact O-N 3.39Å
84	L	95	Very high	94.3	Very high	119 Å²	119	37.3 Å²	37.3	62%	0.623	22%	0.222	S	C	*	.	H	α-helix	trans	-69.3	-36.5	177.7	-69.5	174.2	0	0	0	112	F49 S82 I86 L87 D88	F49-L84 HydrophobicContact CZ-CD2 3.88Å; F49-L84 HydrophobicContact CZ-CG 4.4Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 3.46Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-L87 PolarHBondContact O-N 3.14Å; L84-D88 PolarHBondContact O-N 3.05Å
85	G	95.6	Very high	94.3	Very high	40 Å²	40	40.6 Å²	40.6	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-40.1	176.2	0	0	0	0	0	112.1	S82 D88 L89	S82-G85 PolarHBondContact O-N 3.06Å; S82-G85 VanDerWaalsContact O-N 3.16Å; S82-G85 PolarHBondContact OG-N 3.18Å; G85-D88 PolarHBondContact O-N 2.65Å; G85-L89 WeakPolarHBondContact O-CB 3.41Å; G85-L89 PolarHBondContact O-N 2.99Å
86	I	96.3	Very high	94.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-36.8	175.4	-59.7	-62.2	0	0	0	111.4	I2 I64 F75 V77 E81 S82 E83 L84 D88 L89 I90	I2-I86 HydrophobicContact CD1-CD1 4.21Å; I2-I86 HydrophobicContact CG1-CD1 4.09Å; I64-I86 HydrophobicContact CB-CB 4.34Å; I64-I86 HydrophobicContact CB-CG2 3.75Å; I64-I86 HydrophobicContact CG1-CB 4.13Å; I64-I86 HydrophobicContact CG1-CG2 3.91Å; I64-I86 HydrophobicContact CG2-CB 4.25Å; I64-I86 HydrophobicContact CG2-CG2 3.94Å; F75-I86 HydrophobicContact CB-CG2 3.54Å; F75-I86 HydrophobicContact CD2-CG2 3.91Å; F75-I86 HydrophobicContact CG-CG2 3.98Å; V77-I86 HydrophobicContact CG1-CD1 3.94Å; V77-I86 HydrophobicContact CG1-CG1 3.93Å; V77-I86 HydrophobicContact CG1-CG2 4.06Å; V77-I86 HydrophobicContact CG2-CG1 4.43Å; E81-I86 HydrophobicContact CB-CG1 4.28Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å; S82-I86 PolarHBondContact O-N 2.79Å; S82-I86 VanDerWaalsContact O-N 3.08Å; E83-I86 PolarHBondContact O-N 3.23Å; L84-I86 VanDerWaalsContact C-N 3.34Å; I86-D88 VanDerWaalsContact C-N 3.32Å; I86-D88 PolarHBondContact O-N 3.31Å; I86-L89 HydrophobicContact CD1-CD2 4.47Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 2.89Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 3.02Å
87	L	95.6	Very high	94.4	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-38.2	176	-169.6	66.2	0	0	0	112	N48 F49 I64 R66 E83 L84 I90 Q91	N48-L87 HydrophobicContact CB-CD1 4.13Å; F49-L87 HydrophobicContact CE1-CB 4.38Å; F49-L87 HydrophobicContact CE1-CD2 4.22Å; F49-L87 HydrophobicContact CZ-CD2 4.31Å; I64-L87 HydrophobicContact CG2-CB 4.15Å; I64-L87 HydrophobicContact CG2-CD1 4.22Å; R66-L87 HydrophobicContact CB-CD1 4.27Å; E83-L87 WeakPolarHBondContact O-CB 3.36Å; E83-L87 PolarHBondContact O-N 3.39Å; L84-L87 PolarHBondContact O-N 3.14Å; L87-I90 PolarHBondContact O-N 3.16Å; L87-Q91 PolarHBondContact O-N 2.96Å
88	D	96.3	Very high	94.5	Very high	105 Å²	105	43.8 Å²	43.8	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-68.6	-39.3	173.7	-164.3	44.2	0	0	0	111.5	L84 G85 I86 I90 Q91 V92	L84-D88 PolarHBondContact O-N 3.05Å; G85-D88 PolarHBondContact O-N 2.65Å; I86-D88 VanDerWaalsContact C-N 3.32Å; I86-D88 PolarHBondContact O-N 3.31Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.68Å; D88-Q91 WeakPolarHBondContact O-CA 3.3Å; D88-Q91 VanDerWaalsContact O-CB 3.3Å; D88-Q91 WeakPolarHBondContact O-CB 3.45Å; D88-Q91 PolarHBondContact O-N 3.47Å; D88-V92 PolarHBondContact O-N 3.13Å
89	L	96.8	Very high	94.7	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-39.4	173.6	-172.2	67.1	0	0	0	112.6	I2 F75 G85 I86 Q91 V92 F93 V123 V124 V129 T132	I2-L89 HydrophobicContact CD1-CD2 3.84Å; F75-L89 HydrophobicContact CD2-CD2 4.36Å; F75-L89 HydrophobicContact CE2-CD2 3.82Å; F75-L89 HydrophobicContact CE2-CG 4.27Å; G85-L89 WeakPolarHBondContact O-CB 3.41Å; G85-L89 PolarHBondContact O-N 2.99Å; I86-L89 HydrophobicContact CD1-CD2 4.47Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 2.89Å; L89-Q91 VanDerWaalsContact C-N 3.3Å; L89-Q91 PolarHBondContact O-N 3.45Å; L89-V92 PolarHBondContact O-N 2.82Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.38Å; L89-V123 HydrophobicContact CD1-CG1 3.6Å; L89-V123 HydrophobicContact CG-CG1 4.3Å; L89-V124 HydrophobicContact CD2-CG2 3.99Å; L89-V129 HydrophobicContact CD1-CG1 3.88Å; L89-V129 HydrophobicContact CD1-CG2 4.3Å; L89-V129 HydrophobicContact CD2-CG2 3.62Å; L89-T132 HydrophobicContact CD1-CG2 4.49Å
90	I	97.1	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-43.3	172.8	-70.1	167.3	0	0	0	110.2	I64 R66 Y68 F73 F75 I86 L87 D88 F93 V94	I64-I90 HydrophobicContact CG2-CD1 4.13Å; R66-I90 HydrophobicContact CB-CG2 4.08Å; Y68-I90 HydrophobicContact CE2-CG2 3.83Å; F73-I90 HydrophobicContact CB-CG2 3.84Å; F73-I90 HydrophobicContact CG-CG2 4.5Å; F75-I90 HydrophobicContact CB-CD1 4.38Å; F75-I90 HydrophobicContact CD1-CD1 3.83Å; F75-I90 HydrophobicContact CD1-CG1 3.48Å; F75-I90 VanDerWaalsContact CD1-CG1 3.48Å; F75-I90 HydrophobicContact CD2-CG1 4.45Å; F75-I90 HydrophobicContact CE1-CD1 4.41Å; F75-I90 HydrophobicContact CE1-CG1 3.59Å; F75-I90 HydrophobicContact CG-CD1 4.19Å; F75-I90 HydrophobicContact CG-CG1 3.97Å; F75-I90 HydrophobicContact CZ-CG1 4.11Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 3.02Å; L87-I90 PolarHBondContact O-N 3.16Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.68Å; I90-F93 PolarHBondContact O-N 2.87Å; I90-V94 WeakPolarHBondContact O-CG2 3.42Å; I90-V94 PolarHBondContact O-N 2.86Å
91	Q	95.9	Very high	95.2	Very high	46 Å²	46	41.6 Å²	41.6	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-50.3	177.6	-176.6	72.1	15.8	0	0	111.1	R66 Y68 L87 D88 L89 F93 V94 E95	R66-Q91 VanDerWaalsContact CZ-OE1 3.26Å; Y68-Q91 PolarHBondContact OH-OE1 2.98Å; L87-Q91 PolarHBondContact O-N 2.96Å; D88-Q91 WeakPolarHBondContact O-CA 3.3Å; D88-Q91 VanDerWaalsContact O-CB 3.3Å; D88-Q91 WeakPolarHBondContact O-CB 3.45Å; D88-Q91 PolarHBondContact O-N 3.47Å; L89-Q91 VanDerWaalsContact C-N 3.3Å; L89-Q91 PolarHBondContact O-N 3.45Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 3.06Å; Q91-V94 PolarHBondContact O-N 2.8Å; Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 2.96Å; Q91-E95 WeakPolarHBondContact O-CB 3.23Å; Q91-E95 WeakPolarHBondContact O-CG 3.45Å; Q91-E95 PolarHBondContact O-N 3.31Å
92	V	96.5	Very high	95.1	Very high	17 Å²	17	46.2 Å²	46.2	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-43.3	177.3	171.1	0	0	0	0	110.9	D88 L89 T96 T132 M134	D88-V92 PolarHBondContact O-N 3.13Å; L89-V92 PolarHBondContact O-N 2.82Å; V92-T96 VanDerWaalsContact O-CB 3.28Å; V92-T96 WeakPolarHBondContact O-CB 3.39Å; V92-T96 PolarHBondContact O-N 3.22Å; V92-T96 PolarHBondContact O-OG1 2.81Å; V92-T132 WeakPolarHBondContact CG1-O 3.29Å; V92-M134 HydrophobicContact CG1-CG 4.1Å
93	F	97.1	Very high	94.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-45.8	178.7	177.6	-130.6	0	0	0	112.3	I7 F73 L89 I90 Q91 T96 L97 V116 I119 L120 V123	I7-F93 HydrophobicContact CD1-CE1 3.95Å; I7-F93 HydrophobicContact CD1-CZ 4.47Å; F73-F93 HydrophobicContact CD1-CD1 4.05Å; F73-F93 HydrophobicContact CD1-CE1 4.09Å; F73-F93 HydrophobicContact CE1-CD1 4.06Å; F73-F93 AromaticContact CE1-CE1 3.89Å; F73-F93 HydrophobicContact CE1-CE1 3.89Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.38Å; I90-F93 PolarHBondContact O-N 2.87Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 3.06Å; F93-T96 PolarHBondContact O-N 3.03Å; F93-L97 HydrophobicContact CD1-CD1 4.32Å; F93-L97 HydrophobicContact CD2-CD1 4.36Å; F93-L97 HydrophobicContact CD2-CG 4.3Å; F93-L97 HydrophobicContact CE1-CD1 3.93Å; F93-L97 HydrophobicContact CE2-CD1 3.95Å; F93-L97 HydrophobicContact CE2-CD2 4.16Å; F93-L97 HydrophobicContact CE2-CG 3.98Å; F93-L97 HydrophobicContact CZ-CD1 3.73Å; F93-L97 HydrophobicContact CZ-CD2 4.42Å; F93-L97 HydrophobicContact CZ-CG 4.26Å; F93-L97 WeakPolarHBondContact O-CG 3.39Å; F93-L97 PolarHBondContact O-N 2.83Å; F93-V116 HydrophobicContact CZ-CG1 4.36Å; F93-I119 HydrophobicContact CD2-CG2 4.25Å; F93-I119 HydrophobicContact CE2-CG2 3.99Å; F93-L120 HydrophobicContact CD2-CD1 4.5Å; F93-L120 HydrophobicContact CE1-CD1 4.21Å; F93-L120 HydrophobicContact CE2-CB 4.06Å; F93-L120 HydrophobicContact CE2-CD1 4.05Å; F93-L120 HydrophobicContact CZ-CB 4.15Å; F93-L120 HydrophobicContact CZ-CD1 3.9Å; F93-V123 HydrophobicContact CD2-CG2 4.25Å
94	V	96	Very high	94.9	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-41.9	178.6	173.4	0	0	0	0	111.9	Y68 F73 I90 Q91 T96 L97 D98	Y68-V94 HydrophobicContact CD1-CG1 4.03Å; Y68-V94 HydrophobicContact CD2-CG2 3.95Å; Y68-V94 HydrophobicContact CE1-CB 4.43Å; Y68-V94 HydrophobicContact CE1-CG1 3.98Å; Y68-V94 HydrophobicContact CE2-CB 4.34Å; Y68-V94 HydrophobicContact CE2-CG1 4.47Å; Y68-V94 HydrophobicContact CE2-CG2 3.65Å; Y68-V94 HydrophobicContact CG-CG1 4.28Å; F73-V94 HydrophobicContact CD1-CG2 3.75Å; F73-V94 HydrophobicContact CD2-CG2 4.18Å; F73-V94 HydrophobicContact CE1-CG2 3.54Å; F73-V94 HydrophobicContact CE2-CG2 3.99Å; F73-V94 HydrophobicContact CG-CG2 4.06Å; F73-V94 HydrophobicContact CZ-CG2 3.68Å; I90-V94 WeakPolarHBondContact O-CG2 3.42Å; I90-V94 PolarHBondContact O-N 2.86Å; Q91-V94 PolarHBondContact O-N 2.8Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 2.64Å; V94-L97 WeakPolarHBondContact O-CB 3.27Å; V94-L97 PolarHBondContact O-N 3.2Å; V94-D98 PolarHBondContact O-N 3.28Å
95	E	95.8	Very high	94.9	Very high	70 Å²	70	45.3 Å²	45.3	33%	0.327	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-36.2	175.8	-71.4	-176.9	-174.7	0	0	112.1	Q91 D98 K99 M134	Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 2.96Å; Q91-E95 WeakPolarHBondContact O-CB 3.23Å; Q91-E95 WeakPolarHBondContact O-CG 3.45Å; Q91-E95 PolarHBondContact O-N 3.31Å; E95-D98 PolarHBondContact O-N 3.34Å; E95-K99 WeakPolarHBondContact O-CG 3.21Å; E95-K99 PolarHBondContact O-N 2.78Å; E95-M134 HydrophobicContact CB-SD 3.64Å; E95-M134 VanDerWaalsContact OE2-CE 3.23Å; E95-M134 WeakPolarHBondContact OE2-CE 3.46Å; E95-M134 VanDerWaalsContact OE2-SD 3.35Å
96	T	95.8	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-42	174.2	-58.9	0	0	0	0	111.1	V92 F93 V94 K99 C100 I119 I137 V138	V92-T96 VanDerWaalsContact O-CB 3.28Å; V92-T96 WeakPolarHBondContact O-CB 3.39Å; V92-T96 PolarHBondContact O-N 3.22Å; V92-T96 PolarHBondContact O-OG1 2.81Å; F93-T96 PolarHBondContact O-N 3.03Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 2.64Å; T96-K99 PolarHBondContact O-N 2.81Å; T96-C100 WeakPolarHBondContact O-CB 3.4Å; T96-C100 PolarHBondContact O-N 3.06Å; T96-C100 PolarHBondContact O-SG 3.49Å; T96-I119 HydrophobicContact CG2-CG2 3.75Å; T96-I137 HydrophobicContact CG2-CB 4.08Å; T96-I137 HydrophobicContact CG2-CG2 3.53Å; T96-V138 HydrophobicContact CG2-CG2 4.3Å
97	L	95.9	Very high	94.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-46.7	173.2	-71.3	170.9	0	0	0	111.1	F73 F93 V94 K99 C100 F101 V104 V116 I119	F73-L97 HydrophobicContact CE1-CD1 4.04Å; F73-L97 HydrophobicContact CZ-CD1 4.36Å; F93-L97 HydrophobicContact CD1-CD1 4.32Å; F93-L97 HydrophobicContact CD2-CD1 4.36Å; F93-L97 HydrophobicContact CD2-CG 4.3Å; F93-L97 HydrophobicContact CE1-CD1 3.93Å; F93-L97 HydrophobicContact CE2-CD1 3.95Å; F93-L97 HydrophobicContact CE2-CD2 4.16Å; F93-L97 HydrophobicContact CE2-CG 3.98Å; F93-L97 HydrophobicContact CZ-CD1 3.73Å; F93-L97 HydrophobicContact CZ-CD2 4.42Å; F93-L97 HydrophobicContact CZ-CG 4.26Å; F93-L97 WeakPolarHBondContact O-CG 3.39Å; F93-L97 PolarHBondContact O-N 2.83Å; V94-L97 WeakPolarHBondContact O-CB 3.27Å; V94-L97 PolarHBondContact O-N 3.2Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.31Å; L97-C100 PolarHBondContact O-N 3.38Å; L97-C100 VanDerWaalsContact O-N 3.13Å; L97-F101 HydrophobicContact CD2-CD2 4.41Å; L97-F101 HydrophobicContact CD2-CE2 3.99Å; L97-F101 VanDerWaalsContact O-CD2 3.31Å; L97-F101 WeakPolarHBondContact O-CD2 3.45Å; L97-F101 PolarHBondContact O-N 3.42Å; L97-V104 HydrophobicContact CB-CG1 4.38Å; L97-V104 HydrophobicContact CB-CG2 4.39Å; L97-V116 HydrophobicContact CD2-CG1 4.05Å; L97-V116 HydrophobicContact CD2-CG2 4.28Å; L97-I119 HydrophobicContact CD2-CB 4.38Å; L97-I119 HydrophobicContact CD2-CD1 3.8Å; L97-I119 HydrophobicContact CD2-CG2 4.15Å
98	D	94.9	Very high	94.6	Very high	66 Å²	66	50.2 Å²	50.2	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-41.8	179.5	-168.4	58.3	0	0	0	112.5	V94 E95 E102 N103 V104	V94-D98 PolarHBondContact O-N 3.28Å; E95-D98 PolarHBondContact O-N 3.34Å; D98-E102 WeakPolarHBondContact O-CA 2.98Å; D98-E102 PolarHBondContact O-N 2.87Å; D98-N103 PolarHBondContact O-N 3.46Å; D98-N103 WeakPolarHBondContact OD1-CA 3.44Å; D98-N103 PolarHBondContact OD1-N 2.85Å; D98-V104 HydrophobicContact CB-CG1 3.97Å; D98-V104 PolarHBondContact OD1-N 3.04Å
99	K	93.9	Very high	94.6	Very high	96 Å²	96	45.4 Å²	45.4	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-38.9	173.2	-74.5	175.8	178.9	172.9	0	113	E95 T96 L97 M134 V138	E95-K99 WeakPolarHBondContact O-CG 3.21Å; E95-K99 PolarHBondContact O-N 2.78Å; T96-K99 PolarHBondContact O-N 2.81Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.31Å; K99-M134 HydrophobicContact CD-SD 4.36Å; K99-M134 PolarHBondContact NZ-SD 3.17Å; K99-V138 HydrophobicContact CB-CG2 4.21Å
100	C	93.1	Very high	94.4	Very high	19 Å²	19	47.5 Å²	47.5	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-74.4	-24.1	-177.5	-73.2	0	0	0	0	114	T96 L97 K115 I119	T96-C100 WeakPolarHBondContact O-CB 3.4Å; T96-C100 PolarHBondContact O-N 3.06Å; T96-C100 PolarHBondContact O-SG 3.49Å; L97-C100 PolarHBondContact O-N 3.38Å; L97-C100 VanDerWaalsContact O-N 3.13Å; C100-K115 PolarHBondContact O-NZ 2.91Å; C100-I119 HydrophobicContact CB-CD1 3.69Å
101	F	93.1	Very high	94.3	Very high	32 Å²	32	54.6 Å²	54.6	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-114	-4.5	-176.8	-70.1	-75	0	0	0	114.1	L97 V104 D108 H112 K115 V116 I119	L97-F101 HydrophobicContact CD2-CD2 4.41Å; L97-F101 HydrophobicContact CD2-CE2 3.99Å; L97-F101 VanDerWaalsContact O-CD2 3.31Å; L97-F101 WeakPolarHBondContact O-CD2 3.45Å; L97-F101 PolarHBondContact O-N 3.42Å; F101-V104 HydrophobicContact CB-CB 3.99Å; F101-V104 HydrophobicContact CB-CG2 4.08Å; F101-V104 HydrophobicContact CD2-CG2 3.9Å; F101-V104 HydrophobicContact CG-CG2 4.22Å; F101-D108 HydrophobicContact CD1-CB 4.04Å; F101-D108 HydrophobicContact CE1-CB 4.37Å; F101-D108 HydrophobicContact CG-CB 4.25Å; F101-H112 HydrophobicContact CE1-CB 3.68Å; F101-H112 AromaticContact CE1-CD2 3.88Å; F101-H112 AromaticContact CE1-CG 3.98Å; F101-H112 HydrophobicContact CZ-CB 3.91Å; F101-K115 HydrophobicContact CE1-CD 3.82Å; F101-K115 HydrophobicContact CZ-CB 4.13Å; F101-K115 HydrophobicContact CZ-CD 3.73Å; F101-K115 HydrophobicContact CZ-CG 3.95Å; F101-V116 HydrophobicContact CE2-CG2 4.03Å; F101-V116 HydrophobicContact CZ-CG2 4.05Å; F101-I119 HydrophobicContact CE2-CD1 3.95Å
102	E	91	Very high	94.2	Very high	169 Å²	169	56.9 Å²	56.9	79%	0.79	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	76.4	-178.7	-60.5	-180	178.9	0	0	112.1	D98	D98-E102 WeakPolarHBondContact O-CA 2.98Å; D98-E102 PolarHBondContact O-N 2.87Å
103	N	89.6	Confident	94	Very high	134 Å²	134	59.3 Å²	59.3	72%	0.717	30%	0.297	S	S	*	.	S	Bend	trans	77.1	66.5	-170.8	-52.7	119	0	0	0	113.3	D98 C105	D98-N103 PolarHBondContact O-N 3.46Å; D98-N103 WeakPolarHBondContact OD1-CA 3.44Å; D98-N103 PolarHBondContact OD1-N 2.85Å; N103-C105 PolarHBondContact O-N 3.09Å
104	V	92.9	Very high	93.7	Very high	37 Å²	37	66 Å²	66	22%	0.224	33%	0.333	C	S	.	.			trans	-59.8	135.6	-175.8	68.5	0	0	0	0	112.1	L97 D98 F101 D108 L109	L97-V104 HydrophobicContact CB-CG1 4.38Å; L97-V104 HydrophobicContact CB-CG2 4.39Å; D98-V104 HydrophobicContact CB-CG1 3.97Å; D98-V104 PolarHBondContact OD1-N 3.04Å; F101-V104 HydrophobicContact CB-CB 3.99Å; F101-V104 HydrophobicContact CB-CG2 4.08Å; F101-V104 HydrophobicContact CD2-CG2 3.9Å; F101-V104 HydrophobicContact CG-CG2 4.22Å; V104-D108 HydrophobicContact CG2-CB 4.24Å; V104-L109 HydrophobicContact CG2-CD1 3.52Å
105	C	93.3	Very high	93.6	Very high	59 Å²	59	67.6 Å²	67.6	40%	0.399	34%	0.338	S	S	.	.			trans	-124.2	167.2	172.4	74.8	0	0	0	0	112.2	N103 L107 D108 L109	N103-C105 PolarHBondContact O-N 3.09Å; C105-L107 PolarHBondContact O-N 3.13Å; C105-L107 VanDerWaalsContact O-N 3.17Å; C105-D108 PolarHBondContact N-OD2 3.45Å; C105-D108 WeakPolarHBondContact O-CB 3.48Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 PolarHBondContact SG-OD2 2.96Å; C105-L109 PolarHBondContact O-N 3.36Å
106	E	93.9	Very high	93.6	Very high	38 Å²	38	64.4 Å²	64.4	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-33.1	178.3	170.9	174.4	177.6	0	0	112.7	N9 R15 T70 L71 D108 L109 I110	N9-E106 VanDerWaalsContact CB-OE1 3.26Å; N9-E106 WeakPolarHBondContact CB-OE1 3.37Å; N9-E106 PolarHBondContact ND2-OE1 3.13Å; N9-E106 VanDerWaalsContact ND2-OE1 3.09Å; R15-E106 IonicContact CZ-OE1 2.64Å; R15-E106 IonicContact NE-OE1 3.19Å; R15-E106 PolarHBondContact NE-OE1 3.16Å; R15-E106 IonicContact NH2-OE1 2.67Å; R15-E106 PolarHBondContact NH2-OE1 3.25Å; T70-E106 WeakPolarHBondContact CB-OE2 3.42Å; T70-E106 PolarHBondContact OG1-OE2 2.97Å; L71-E106 HydrophobicContact CD1-CB 4.25Å; L71-E106 HydrophobicContact CD2-CB 4.23Å; L71-E106 HydrophobicContact CD2-CG 3.92Å; L71-E106 HydrophobicContact CG-CB 4.29Å; E106-D108 VanDerWaalsContact C-N 3.34Å; E106-L109 PolarHBondContact O-N 2.95Å; E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CG1 3.39Å; E106-I110 PolarHBondContact O-N 3.31Å
107	L	93.9	Very high	93.5	Very high	100 Å²	100	66.5 Å²	66.5	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-35	178	-70.1	172.7	0	0	0	112.1	C105 L109 I110 F111	C105-L107 PolarHBondContact O-N 3.13Å; C105-L107 VanDerWaalsContact O-N 3.17Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.36Å; L107-I110 HydrophobicContact CD2-CD1 4.29Å; L107-I110 WeakPolarHBondContact O-CB 3.38Å; L107-I110 PolarHBondContact O-N 3.47Å; L107-F111 HydrophobicContact CB-CD2 4.09Å; L107-F111 HydrophobicContact CB-CE2 4.15Å; L107-F111 HydrophobicContact CD2-CE2 4.01Å; L107-F111 WeakPolarHBondContact O-CD2 3.35Å; L107-F111 PolarHBondContact O-N 3.26Å
108	D	94.5	Very high	93.4	Very high	37 Å²	37	68.4 Å²	68.4	20%	0.198	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-39.5	178	-59.4	-44	0	0	0	110.9	F101 V104 C105 E106 I110 F111 H112	F101-D108 HydrophobicContact CD1-CB 4.04Å; F101-D108 HydrophobicContact CE1-CB 4.37Å; F101-D108 HydrophobicContact CG-CB 4.25Å; V104-D108 HydrophobicContact CG2-CB 4.24Å; C105-D108 PolarHBondContact N-OD2 3.45Å; C105-D108 WeakPolarHBondContact O-CB 3.48Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 PolarHBondContact SG-OD2 2.96Å; E106-D108 VanDerWaalsContact C-N 3.34Å; D108-I110 PolarHBondContact O-N 3.4Å; D108-F111 PolarHBondContact O-N 2.95Å; D108-H112 WeakPolarHBondContact O-CA 3.26Å; D108-H112 VanDerWaalsContact O-CB 3.32Å; D108-H112 WeakPolarHBondContact O-CB 3.31Å; D108-H112 PolarHBondContact O-N 3.47Å
109	L	94.9	Very high	93.5	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-37.9	174.6	-83.3	65.6	0	0	0	111.2	I7 R15 L71 V104 C105 E106 L107 M113 V116	I7-L109 HydrophobicContact CD1-CD2 4.16Å; I7-L109 HydrophobicContact CG2-CD2 4.22Å; R15-L109 HydrophobicContact CB-CD2 4.5Å; L71-L109 HydrophobicContact CD1-CD2 3.72Å; V104-L109 HydrophobicContact CG2-CD1 3.52Å; C105-L109 PolarHBondContact O-N 3.36Å; E106-L109 PolarHBondContact O-N 2.95Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.36Å; L109-M113 VanDerWaalsContact O-CG 3.28Å; L109-M113 WeakPolarHBondContact O-CG 3.4Å; L109-M113 PolarHBondContact O-N 2.99Å; L109-V116 HydrophobicContact CB-CG2 4.43Å; L109-V116 HydrophobicContact CG-CG1 4.46Å; L109-V116 HydrophobicContact CG-CG2 4.05Å
110	I	94.1	Very high	93.6	Very high	53 Å²	53	60.8 Å²	60.8	27%	0.272	30%	0.304	S	S	.	.	H	α-helix	trans	-74.5	-42.7	-179.1	-62.9	163.3	0	0	0	112.2	E106 L107 D108 M113	E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CG1 3.39Å; E106-I110 PolarHBondContact O-N 3.31Å; L107-I110 HydrophobicContact CD2-CD1 4.29Å; L107-I110 WeakPolarHBondContact O-CB 3.38Å; L107-I110 PolarHBondContact O-N 3.47Å; D108-I110 PolarHBondContact O-N 3.4Å; I110-M113 VanDerWaalsContact O-CG 3.29Å; I110-M113 WeakPolarHBondContact O-CG 3.37Å
111	F	93.8	Very high	93.7	Very high	149 Å²	149	63 Å²	63	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-82.8	-24.6	-176.4	-73.7	-63.9	0	0	0	113	L107 D108	L107-F111 HydrophobicContact CB-CD2 4.09Å; L107-F111 HydrophobicContact CB-CE2 4.15Å; L107-F111 HydrophobicContact CD2-CE2 4.01Å; L107-F111 WeakPolarHBondContact O-CD2 3.35Å; L107-F111 PolarHBondContact O-N 3.26Å; D108-F111 PolarHBondContact O-N 2.95Å
112	H	93.3	Very high	93.8	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.435	32%	0.316	S	S	.	.			trans	-122.1	41.9	-177.1	-58.4	-61.7	0	0	0	112.4	F101 D108 D114 K115 V116	F101-H112 HydrophobicContact CE1-CB 3.68Å; F101-H112 AromaticContact CE1-CD2 3.88Å; F101-H112 AromaticContact CE1-CG 3.98Å; F101-H112 HydrophobicContact CZ-CB 3.91Å; D108-H112 WeakPolarHBondContact O-CA 3.26Å; D108-H112 VanDerWaalsContact O-CB 3.32Å; D108-H112 WeakPolarHBondContact O-CB 3.31Å; D108-H112 PolarHBondContact O-N 3.47Å; H112-D114 PolarHBondContact O-N 3.32Å; H112-K115 HydrophobicContact CB-CB 4.3Å; H112-K115 PolarHBondContact O-N 3.44Å; H112-V116 WeakPolarHBondContact O-CG2 3.34Å; H112-V116 PolarHBondContact O-N 2.91Å
113	M	92.8	Very high	94	Very high	69 Å²	69	55.6 Å²	55.6	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-51.4	-41.4	-179.6	-60.5	-83	-69	0	0	112.1	R15 L109 I110 K115 V116 H117	R15-M113 WeakPolarHBondContact O-CE 3.44Å; L109-M113 VanDerWaalsContact O-CG 3.28Å; L109-M113 WeakPolarHBondContact O-CG 3.4Å; L109-M113 PolarHBondContact O-N 2.99Å; I110-M113 VanDerWaalsContact O-CG 3.29Å; I110-M113 WeakPolarHBondContact O-CG 3.37Å; M113-K115 PolarHBondContact O-N 3.45Å; M113-V116 PolarHBondContact O-N 3.19Å; M113-H117 WeakPolarHBondContact O-CB 3.15Å; M113-H117 PolarHBondContact O-CD2 2.91Å; M113-H117 PolarHBondContact O-N 3.44Å
114	D	91.9	Very high	94.4	Very high	141 Å²	141	49.2 Å²	49.2	75%	0.754	24%	0.244	S	C	*	.	H	α-helix	trans	-60.2	-46.3	179.6	-57	-49.2	0	0	0	111.6	H112 V116 H117 Y118	H112-D114 PolarHBondContact O-N 3.32Å; D114-V116 PolarHBondContact O-N 3.36Å; D114-H117 PolarHBondContact O-N 3.4Å; D114-Y118 PolarHBondContact O-N 2.92Å
115	K	93.1	Very high	94.4	Very high	52 Å²	52	51.8 Å²	51.8	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-39	178.2	-173.6	175.6	170.8	-166.2	0	111.4	C100 F101 H112 M113 Y118 I119	C100-K115 PolarHBondContact O-NZ 2.91Å; F101-K115 HydrophobicContact CE1-CD 3.82Å; F101-K115 HydrophobicContact CZ-CB 4.13Å; F101-K115 HydrophobicContact CZ-CD 3.73Å; F101-K115 HydrophobicContact CZ-CG 3.95Å; H112-K115 HydrophobicContact CB-CB 4.3Å; H112-K115 PolarHBondContact O-N 3.44Å; M113-K115 PolarHBondContact O-N 3.45Å; K115-Y118 PolarHBondContact O-N 2.89Å; K115-I119 HydrophobicContact CG-CD1 4.12Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.39Å; K115-I119 PolarHBondContact O-N 3.42Å
116	V	95.8	Very high	94.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-43	174.9	-177.7	0	0	0	0	110.9	L16 F93 L97 F101 L109 H112 M113 D114 Y118 I119 L120	L16-V116 HydrophobicContact CD1-CB 4.49Å; L16-V116 HydrophobicContact CD1-CG1 3.7Å; F93-V116 HydrophobicContact CZ-CG1 4.36Å; L97-V116 HydrophobicContact CD2-CG1 4.05Å; L97-V116 HydrophobicContact CD2-CG2 4.28Å; F101-V116 HydrophobicContact CE2-CG2 4.03Å; F101-V116 HydrophobicContact CZ-CG2 4.05Å; L109-V116 HydrophobicContact CB-CG2 4.43Å; L109-V116 HydrophobicContact CG-CG1 4.46Å; L109-V116 HydrophobicContact CG-CG2 4.05Å; H112-V116 WeakPolarHBondContact O-CG2 3.34Å; H112-V116 PolarHBondContact O-N 2.91Å; M113-V116 PolarHBondContact O-N 3.19Å; D114-V116 PolarHBondContact O-N 3.36Å; V116-Y118 VanDerWaalsContact C-N 3.29Å; V116-Y118 PolarHBondContact O-N 3.24Å; V116-I119 PolarHBondContact O-N 3.42Å; V116-L120 WeakPolarHBondContact O-CB 3.38Å; V116-L120 PolarHBondContact O-N 3.03Å
117	H	94.6	Very high	94.3	Very high	45 Å²	45	49.4 Å²	49.4	21%	0.208	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-34.8	175.4	-84	-67.4	0	0	0	112.6	M113 D114 Q121	M113-H117 WeakPolarHBondContact O-CB 3.15Å; M113-H117 PolarHBondContact O-CD2 2.91Å; M113-H117 PolarHBondContact O-N 3.44Å; D114-H117 PolarHBondContact O-N 3.4Å; H117-Q121 VanDerWaalsContact O-CG 3.29Å; H117-Q121 WeakPolarHBondContact O-CG 3.19Å; H117-Q121 PolarHBondContact O-N 2.96Å; H117-Q121 VanDerWaalsContact O-N 3.13Å; H117-Q121 PolarHBondContact O-NE2 3.48Å
118	Y	93.9	Very high	94.4	Very high	40 Å²	40	50.9 Å²	50.9	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-50.2	173.6	179.3	-91.1	0	0	0	111.2	D114 K115 V116 L120 Q121 E122 Q140 V141 Q144	D114-Y118 PolarHBondContact O-N 2.92Å; K115-Y118 PolarHBondContact O-N 2.89Å; V116-Y118 VanDerWaalsContact C-N 3.29Å; V116-Y118 PolarHBondContact O-N 3.24Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.97Å; Y118-Q121 WeakPolarHBondContact O-CB 3.24Å; Y118-Q121 PolarHBondContact O-N 2.89Å; Y118-E122 HydrophobicContact CD1-CG 4.42Å; Y118-E122 HydrophobicContact CE1-CG 3.77Å; Y118-E122 PolarHBondContact O-N 3.03Å; Y118-E122 VanDerWaalsContact O-N 3.15Å; Y118-E122 PolarHBondContact OH-OE1 3.46Å; Y118-Q140 PolarHBondContact OH-O 2.98Å; Y118-V141 HydrophobicContact CD1-CB 4.32Å; Y118-V141 HydrophobicContact CD1-CG1 4.38Å; Y118-V141 HydrophobicContact CD1-CG2 3.78Å; Y118-V141 VanDerWaalsContact CE1-CA 3.49Å; Y118-V141 HydrophobicContact CE1-CB 4.01Å; Y118-V141 HydrophobicContact CE1-CG2 3.58Å; Y118-Q144 HydrophobicContact CD1-CB 4.39Å; Y118-Q144 HydrophobicContact CD1-CG 4.31Å; Y118-Q144 HydrophobicContact CD2-CB 4.47Å; Y118-Q144 HydrophobicContact CD2-CG 3.78Å; Y118-Q144 HydrophobicContact CE1-CB 3.78Å; Y118-Q144 HydrophobicContact CE1-CG 4.1Å; Y118-Q144 HydrophobicContact CE2-CB 3.84Å; Y118-Q144 HydrophobicContact CE2-CG 3.5Å; Y118-Q144 VanDerWaalsContact CE2-CG 3.5Å; Y118-Q144 HydrophobicContact CG-CG 4.18Å; Y118-Q144 VanDerWaalsContact CZ-CB 3.46Å
119	I	95.6	Very high	94.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-43.8	176.3	-66	163.5	0	0	0	110.5	F93 T96 L97 C100 F101 K115 V116 Q121 E122 V123 I137 V141	F93-I119 HydrophobicContact CD2-CG2 4.25Å; F93-I119 HydrophobicContact CE2-CG2 3.99Å; T96-I119 HydrophobicContact CG2-CG2 3.75Å; L97-I119 HydrophobicContact CD2-CB 4.38Å; L97-I119 HydrophobicContact CD2-CD1 3.8Å; L97-I119 HydrophobicContact CD2-CG2 4.15Å; C100-I119 HydrophobicContact CB-CD1 3.69Å; F101-I119 HydrophobicContact CE2-CD1 3.95Å; K115-I119 HydrophobicContact CG-CD1 4.12Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.39Å; K115-I119 PolarHBondContact O-N 3.42Å; V116-I119 PolarHBondContact O-N 3.42Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.27Å; I119-E122 PolarHBondContact O-N 3.36Å; I119-V123 WeakPolarHBondContact O-CG2 3.44Å; I119-V123 PolarHBondContact O-N 2.96Å; I119-I137 HydrophobicContact CG2-CG2 4.44Å; I119-V141 HydrophobicContact CG1-CG1 4.14Å; I119-V141 HydrophobicContact CG1-CG2 3.66Å
120	L	96.4	Very high	94.4	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-38.4	176.8	-179	65.2	0	0	0	112.4	I5 L16 R18 F93 V116 Y118 V123 V124	I5-L120 HydrophobicContact CD1-CD1 3.76Å; I5-L120 HydrophobicContact CG2-CD1 4.34Å; L16-L120 HydrophobicContact CD1-CD2 4.12Å; L16-L120 HydrophobicContact CD2-CD2 3.65Å; L16-L120 HydrophobicContact CG-CD2 4.38Å; R18-L120 HydrophobicContact CB-CD2 3.96Å; R18-L120 HydrophobicContact CG-CD2 4.2Å; F93-L120 HydrophobicContact CD2-CD1 4.5Å; F93-L120 HydrophobicContact CE1-CD1 4.21Å; F93-L120 HydrophobicContact CE2-CB 4.06Å; F93-L120 HydrophobicContact CE2-CD1 4.05Å; F93-L120 HydrophobicContact CZ-CB 4.15Å; F93-L120 HydrophobicContact CZ-CD1 3.9Å; V116-L120 WeakPolarHBondContact O-CB 3.38Å; V116-L120 PolarHBondContact O-N 3.03Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.97Å; L120-V123 PolarHBondContact O-N 2.97Å; L120-V124 PolarHBondContact O-N 3.33Å; L120-V124 VanDerWaalsContact O-O 3.11Å
121	Q	95.1	Very high	94.4	Very high	65 Å²	65	57 Å²	57	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-70.3	-30.1	-179	-80.2	171.2	85	0	0	113.3	H117 Y118 I119 V123 V124 M125	H117-Q121 VanDerWaalsContact O-CG 3.29Å; H117-Q121 WeakPolarHBondContact O-CG 3.19Å; H117-Q121 PolarHBondContact O-N 2.96Å; H117-Q121 VanDerWaalsContact O-N 3.13Å; H117-Q121 PolarHBondContact O-NE2 3.48Å; Y118-Q121 WeakPolarHBondContact O-CB 3.24Å; Y118-Q121 PolarHBondContact O-N 2.89Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.27Å; Q121-V123 VanDerWaalsContact C-N 3.31Å; Q121-V124 WeakPolarHBondContact CA-O 3.49Å; Q121-M125 HydrophobicContact CB-CE 4.28Å
122	E	95.5	Very high	94.5	Very high	45 Å²	45	53.9 Å²	53.9	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-32.5	171.3	-64.7	-60.9	145.6	0	0	111.5	Y118 I119 E131 I137 Q140	Y118-E122 HydrophobicContact CD1-CG 4.42Å; Y118-E122 HydrophobicContact CE1-CG 3.77Å; Y118-E122 PolarHBondContact O-N 3.03Å; Y118-E122 VanDerWaalsContact O-N 3.15Å; Y118-E122 PolarHBondContact OH-OE1 3.46Å; I119-E122 PolarHBondContact O-N 3.36Å; E122-E131 PolarHBondContact O-N 3.23Å; E122-I137 HydrophobicContact CB-CG1 4.49Å; E122-I137 HydrophobicContact CB-CG2 3.78Å; E122-I137 HydrophobicContact CG-CG2 4.49Å; E122-Q140 HydrophobicContact CG-CB 4.42Å
123	V	95.9	Very high	94.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-82	-47.9	178.1	-175.4	0	0	0	0	111.9	L89 F93 I119 L120 Q121 L130 I137	L89-V123 HydrophobicContact CD1-CG1 3.6Å; L89-V123 HydrophobicContact CG-CG1 4.3Å; F93-V123 HydrophobicContact CD2-CG2 4.25Å; I119-V123 WeakPolarHBondContact O-CG2 3.44Å; I119-V123 PolarHBondContact O-N 2.96Å; L120-V123 PolarHBondContact O-N 2.97Å; Q121-V123 VanDerWaalsContact C-N 3.31Å; V123-L130 PolarHBondContact O-N 3.48Å; V123-I137 HydrophobicContact CG2-CD1 3.78Å; V123-I137 HydrophobicContact CG2-CG1 4.47Å; V123-I137 HydrophobicContact CG2-CG2 4.46Å
124	V	96.4	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.6	-174.8	-175.3	0	0	0	0	110.6	I2 I5 Y20 L89 L120 Q121 M128	I2-V124 HydrophobicContact CD1-CG1 3.87Å; I2-V124 HydrophobicContact CD1-CG2 3.99Å; I5-V124 HydrophobicContact CD1-CB 4.23Å; I5-V124 HydrophobicContact CD1-CG1 4.26Å; I5-V124 HydrophobicContact CD1-CG2 4.17Å; Y20-V124 HydrophobicContact CE1-CG1 4.31Å; Y20-V124 HydrophobicContact CE2-CG1 3.75Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.47Å; Y20-V124 PolarHBondContact OH-O 3.47Å; L89-V124 HydrophobicContact CD2-CG2 3.99Å; L120-V124 PolarHBondContact O-N 3.33Å; L120-V124 VanDerWaalsContact O-O 3.11Å; Q121-V124 WeakPolarHBondContact CA-O 3.49Å; V124-M128 VanDerWaalsContact CA-O 3.31Å; V124-M128 WeakPolarHBondContact CA-O 3.39Å; V124-M128 WeakPolarHBondContact CG1-O 3.32Å
125	M	94.7	Very high	94.8	Very high	91 Å²	91	49.8 Å²	49.8	45%	0.448	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.5	174.1	-162.1	-177.5	-64.7	0	0	109.9	Q121 G127 M128 L130	Q121-M125 HydrophobicContact CB-CE 4.28Å; M125-G127 PolarHBondContact O-N 2.99Å; M125-G127 VanDerWaalsContact O-N 3.13Å; M125-M128 PolarHBondContact N-O 2.87Å; M125-M128 PolarHBondContact O-N 3.44Å; M125-M128 VanDerWaalsContact O-N 3.08Å; M125-L130 HydrophobicContact CB-CD1 3.24Å; M125-L130 HydrophobicContact CB-CD2 4.42Å; M125-L130 HydrophobicContact CB-CG 4.45Å
126	G	92.8	Very high	94.9	Very high	46 Å²	46	52.1 Å²	52.1	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.7	-178.2	0	0	0	0	0	114.5	M128	G126-M128 VanDerWaalsContact C-N 3.3Å
127	G	92.4	Very high	94.8	Very high	2 Å²	2	52 Å²	52	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	7.5	-177.7	0	0	0	0	0	114.7	M1 I2 Y20 M125	M1-G127 WeakPolarHBondContact CG-O 2.97Å; I2-G127 WeakPolarHBondContact CB-O 2.9Å; I2-G127 PolarHBondContact N-O 2.74Å; I2-G127 WeakPolarHBondContact O-CA 3.26Å; Y20-G127 VanDerWaalsContact CG-N 3.26Å; M125-G127 PolarHBondContact O-N 2.99Å; M125-G127 VanDerWaalsContact O-N 3.13Å
128	M	94	Very high	94.8	Very high	131 Å²	131	51.2 Å²	51.2	65%	0.645	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.4	175	-59.7	-173.9	-64.2	0	0	110.3	V124 M125 G126 L130	V124-M128 VanDerWaalsContact CA-O 3.31Å; V124-M128 WeakPolarHBondContact CA-O 3.39Å; V124-M128 WeakPolarHBondContact CG1-O 3.32Å; M125-M128 PolarHBondContact N-O 2.87Å; M125-M128 PolarHBondContact O-N 3.44Å; M125-M128 VanDerWaalsContact O-N 3.08Å; G126-M128 VanDerWaalsContact C-N 3.3Å; M128-L130 WeakPolarHBondContact O-CD1 3.18Å
129	V	95.3	Very high	94.8	Very high	69 Å²	69	51.4 Å²	51.4	42%	0.418	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.6	173.8	-175.8	0	0	0	0	108.6	I2 L89 T132	I2-V129 HydrophobicContact CD1-CG2 4.28Å; L89-V129 HydrophobicContact CD1-CG1 3.88Å; L89-V129 HydrophobicContact CD1-CG2 4.3Å; L89-V129 HydrophobicContact CD2-CG2 3.62Å; V129-T132 HydrophobicContact CG1-CG2 3.77Å
130	L	95.1	Very high	94.7	Very high	99 Å²	99	55.8 Å²	55.8	52%	0.518	31%	0.305	S	S	.	.			trans	-100.7	-62.9	175.7	-77.6	92.3	0	0	0	110.4	V123 M125 M128	V123-L130 PolarHBondContact O-N 3.48Å; M125-L130 HydrophobicContact CB-CD1 3.24Å; M125-L130 HydrophobicContact CB-CD2 4.42Å; M125-L130 HydrophobicContact CB-CG 4.45Å; M128-L130 WeakPolarHBondContact O-CD1 3.18Å
131	E	95	Very high	94.5	Very high	54 Å²	54	55.9 Å²	55.9	25%	0.252	31%	0.306	S	S	.	.			trans	-123.7	141.3	-174.6	-166.4	50.1	-102.5	0	0	111.2	E122 N133 E136 I137	E122-E131 PolarHBondContact O-N 3.23Å; E131-N133 HydrophobicContact CG-CB 4.45Å; E131-N133 VanDerWaalsContact OE1-CB 3.3Å; E131-N133 WeakPolarHBondContact OE1-CB 3.49Å; E131-N133 PolarHBondContact OE1-N 2.82Å; E131-E136 HydrophobicContact CG-CB 4.14Å; E131-I137 HydrophobicContact CB-CD1 4.33Å; E131-I137 HydrophobicContact CB-CG1 3.87Å; E131-I137 HydrophobicContact CG-CD1 4.22Å; E131-I137 HydrophobicContact CG-CG1 3.67Å
132	T	95.1	Very high	94.3	Very high	83 Å²	83	57.3 Å²	57.3	51%	0.509	31%	0.312	S	S	.	.			trans	-122.4	-16.9	177.6	55.7	0	0	0	0	111.4	L89 V92 V129 M134	L89-T132 HydrophobicContact CD1-CG2 4.49Å; V92-T132 WeakPolarHBondContact CG1-O 3.29Å; V129-T132 HydrophobicContact CG1-CG2 3.77Å; T132-M134 PolarHBondContact O-N 3.04Å; T132-M134 VanDerWaalsContact O-N 3.16Å
133	N	95	Very high	94.1	Very high	60 Å²	60	58.5 Å²	58.5	32%	0.321	32%	0.323	S	S	.	.			trans	-75.4	104.7	174.9	-172.8	-11.9	0	0	0	110.4	E131 N135 E136 I137	E131-N133 HydrophobicContact CG-CB 4.45Å; E131-N133 VanDerWaalsContact OE1-CB 3.3Å; E131-N133 WeakPolarHBondContact OE1-CB 3.49Å; E131-N133 PolarHBondContact OE1-N 2.82Å; N133-N135 PolarHBondContact O-N 2.88Å; N133-N135 VanDerWaalsContact O-N 3.1Å; N133-N135 WeakPolarHBondContact OD1-CB 3.43Å; N133-N135 PolarHBondContact OD1-N 3.15Å; N133-N135 VanDerWaalsContact OD1-N 3.08Å; N133-E136 HydrophobicContact CB-CB 4.26Å; N133-E136 HydrophobicContact CB-CG 4.24Å; N133-E136 PolarHBondContact ND2-OE1 3.34Å; N133-E136 VanDerWaalsContact ND2-OE1 3.08Å; N133-E136 PolarHBondContact O-N 2.84Å; N133-I137 WeakPolarHBondContact O-CG1 3.36Å; N133-I137 PolarHBondContact O-N 2.82Å; N133-I137 VanDerWaalsContact O-N 3.11Å
134	M	94.5	Very high	93.8	Very high	43 Å²	43	60.9 Å²	60.9	21%	0.212	33%	0.334	C	S	.	.	H	α-helix	trans	-51	-36.7	177.7	-65.1	-177.4	-96.6	0	0	113.4	V92 E95 K99 T132 E136 I137 V138	V92-M134 HydrophobicContact CG1-CG 4.1Å; E95-M134 HydrophobicContact CB-SD 3.64Å; E95-M134 VanDerWaalsContact OE2-CE 3.23Å; E95-M134 WeakPolarHBondContact OE2-CE 3.46Å; E95-M134 VanDerWaalsContact OE2-SD 3.35Å; K99-M134 HydrophobicContact CD-SD 4.36Å; K99-M134 PolarHBondContact NZ-SD 3.17Å; T132-M134 PolarHBondContact O-N 3.04Å; T132-M134 VanDerWaalsContact O-N 3.16Å; M134-E136 VanDerWaalsContact C-N 3.34Å; M134-I137 PolarHBondContact O-N 2.67Å; M134-V138 WeakPolarHBondContact O-CB 3.19Å; M134-V138 WeakPolarHBondContact O-CG2 3.39Å; M134-V138 PolarHBondContact O-N 2.92Å
135	N	94.3	Very high	93.4	Very high	115 Å²	115	62.9 Å²	62.9	62%	0.615	34%	0.344	S	S	*	.	H	α-helix	trans	-69.1	-36.2	-176.9	-61.8	-33.2	0	0	0	111.5	N133 A139	N133-N135 PolarHBondContact O-N 2.88Å; N133-N135 VanDerWaalsContact O-N 3.1Å; N133-N135 WeakPolarHBondContact OD1-CB 3.43Å; N133-N135 PolarHBondContact OD1-N 3.15Å; N133-N135 VanDerWaalsContact OD1-N 3.08Å; N135-A139 WeakPolarHBondContact O-CB 3.26Å; N135-A139 PolarHBondContact O-N 3.45Å
136	E	95.1	Very high	93.1	Very high	101 Å²	101	66.7 Å²	66.7	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-71.6	-43.3	176.9	-69.8	-174.9	-141.7	0	0	110.8	E131 N133 M134 V138 A139 Q140	E131-E136 HydrophobicContact CG-CB 4.14Å; N133-E136 HydrophobicContact CB-CB 4.26Å; N133-E136 HydrophobicContact CB-CG 4.24Å; N133-E136 PolarHBondContact ND2-OE1 3.34Å; N133-E136 VanDerWaalsContact ND2-OE1 3.08Å; N133-E136 PolarHBondContact O-N 2.84Å; M134-E136 VanDerWaalsContact C-N 3.34Å; E136-V138 PolarHBondContact O-N 3.48Å; E136-A139 WeakPolarHBondContact O-CB 3.48Å; E136-A139 PolarHBondContact O-N 3.47Å; E136-Q140 WeakPolarHBondContact O-CG 3.4Å; E136-Q140 PolarHBondContact O-N 3.08Å
137	I	94.6	Very high	92.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-50.4	176	-60.4	156.5	0	0	0	110.6	T96 I119 E122 V123 E131 N133 M134 A139 Q140 V141	T96-I137 HydrophobicContact CG2-CB 4.08Å; T96-I137 HydrophobicContact CG2-CG2 3.53Å; I119-I137 HydrophobicContact CG2-CG2 4.44Å; E122-I137 HydrophobicContact CB-CG1 4.49Å; E122-I137 HydrophobicContact CB-CG2 3.78Å; E122-I137 HydrophobicContact CG-CG2 4.49Å; V123-I137 HydrophobicContact CG2-CD1 3.78Å; V123-I137 HydrophobicContact CG2-CG1 4.47Å; V123-I137 HydrophobicContact CG2-CG2 4.46Å; E131-I137 HydrophobicContact CB-CD1 4.33Å; E131-I137 HydrophobicContact CB-CG1 3.87Å; E131-I137 HydrophobicContact CG-CD1 4.22Å; E131-I137 HydrophobicContact CG-CG1 3.67Å; N133-I137 WeakPolarHBondContact O-CG1 3.36Å; N133-I137 PolarHBondContact O-N 2.82Å; N133-I137 VanDerWaalsContact O-N 3.11Å; M134-I137 PolarHBondContact O-N 2.67Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 2.92Å; I137-Q140 PolarHBondContact O-N 2.81Å; I137-V141 HydrophobicContact CG2-CG2 4.26Å; I137-V141 WeakPolarHBondContact O-CG2 3.49Å; I137-V141 PolarHBondContact O-N 3.34Å
138	V	93.9	Very high	92.4	Very high	28 Å²	28	73.3 Å²	73.3	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-41.3	178.6	172.8	0	0	0	0	111	T96 K99 M134 E136 Q140 V141 E142	T96-V138 HydrophobicContact CG2-CG2 4.3Å; K99-V138 HydrophobicContact CB-CG2 4.21Å; M134-V138 WeakPolarHBondContact O-CB 3.19Å; M134-V138 WeakPolarHBondContact O-CG2 3.39Å; M134-V138 PolarHBondContact O-N 2.92Å; E136-V138 PolarHBondContact O-N 3.48Å; V138-Q140 PolarHBondContact O-N 2.99Å; V138-V141 PolarHBondContact O-N 3.26Å; V138-E142 WeakPolarHBondContact O-CG 3.28Å; V138-E142 PolarHBondContact O-N 3.48Å
139	A	94.6	Very high	91.9	Very high	45 Å²	45	75.1 Å²	75.1	37%	0.372	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-43.4	177.4	0	0	0	0	0	112.3	N135 E136 I137 E142 V143	N135-A139 WeakPolarHBondContact O-CB 3.26Å; N135-A139 PolarHBondContact O-N 3.45Å; E136-A139 WeakPolarHBondContact O-CB 3.48Å; E136-A139 PolarHBondContact O-N 3.47Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 2.92Å; A139-E142 PolarHBondContact O-N 3.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.02Å; A139-V143 VanDerWaalsContact O-N 3.09Å
140	Q	93.4	Very high	91.2	Very high	91 Å²	91	75.7 Å²	75.7	43%	0.425	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-41.7	176	-63.9	-51.8	-36.3	0	0	111.8	Y118 E122 E136 I137 V138 E142 V143 Q144	Y118-Q140 PolarHBondContact OH-O 2.98Å; E122-Q140 HydrophobicContact CG-CB 4.42Å; E136-Q140 WeakPolarHBondContact O-CG 3.4Å; E136-Q140 PolarHBondContact O-N 3.08Å; I137-Q140 PolarHBondContact O-N 2.81Å; V138-Q140 PolarHBondContact O-N 2.99Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.16Å; Q140-V143 WeakPolarHBondContact O-CB 3.46Å; Q140-V143 PolarHBondContact O-N 3.44Å; Q140-V143 VanDerWaalsContact O-N 3.11Å; Q140-Q144 PolarHBondContact O-N 3.42Å
141	V	91.8	Very high	90.1	Very high	4 Å²	4	77.6 Å²	77.6	2%	0.024	39%	0.39	C	S	.	.	H	α-helix	trans	-59	-40.1	174.7	177.5	0	0	0	0	111.8	Y118 I119 I137 V138 Q144 N145	Y118-V141 HydrophobicContact CD1-CB 4.32Å; Y118-V141 HydrophobicContact CD1-CG1 4.38Å; Y118-V141 HydrophobicContact CD1-CG2 3.78Å; Y118-V141 VanDerWaalsContact CE1-CA 3.49Å; Y118-V141 HydrophobicContact CE1-CB 4.01Å; Y118-V141 HydrophobicContact CE1-CG2 3.58Å; I119-V141 HydrophobicContact CG1-CG1 4.14Å; I119-V141 HydrophobicContact CG1-CG2 3.66Å; I137-V141 HydrophobicContact CG2-CG2 4.26Å; I137-V141 WeakPolarHBondContact O-CG2 3.49Å; I137-V141 PolarHBondContact O-N 3.34Å; V138-V141 PolarHBondContact O-N 3.26Å; V141-Q144 PolarHBondContact O-N 2.66Å; V141-N145 WeakPolarHBondContact O-CB 3.41Å; V141-N145 PolarHBondContact O-N 3.4Å; V141-N145 PolarHBondContact O-ND2 3.31Å
142	E	91.3	Very high	88.3	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-65.5	-40.8	174.2	-75	-171.5	-168.4	0	0	113.2	V138 A139 Q140 N145 R146	V138-E142 WeakPolarHBondContact O-CG 3.28Å; V138-E142 PolarHBondContact O-N 3.48Å; A139-E142 PolarHBondContact O-N 3.27Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.16Å; E142-N145 PolarHBondContact O-N 2.97Å; E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.42Å; E142-R146 PolarHBondContact O-N 2.96Å; E142-R146 IonicContact OE2-NH2 3.68Å
143	V	91.9	Very high	86.2	Confident	70 Å²	70	75.2 Å²	75.2	42%	0.424	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-46.3	176.6	172.5	0	0	0	0	110	A139 Q140 N145 R146 M147	A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.02Å; A139-V143 VanDerWaalsContact O-N 3.09Å; Q140-V143 WeakPolarHBondContact O-CB 3.46Å; Q140-V143 PolarHBondContact O-N 3.44Å; Q140-V143 VanDerWaalsContact O-N 3.11Å; V143-N145 PolarHBondContact O-N 2.71Å; V143-R146 WeakPolarHBondContact O-CB 3.32Å; V143-R146 PolarHBondContact O-N 3.26Å; V143-R146 VanDerWaalsContact O-N 3.15Å; V143-M147 HydrophobicContact CG1-CE 4.1Å; V143-M147 WeakPolarHBondContact O-CG 3.13Å; V143-M147 PolarHBondContact O-N 3.1Å
144	Q	88.7	Confident	84	Confident	51 Å²	51	78.8 Å²	78.8	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-48.5	175.6	-175.6	64.5	22.4	0	0	112	Y118 Q140 V141 R146 M147 E148	Y118-Q144 HydrophobicContact CD1-CB 4.39Å; Y118-Q144 HydrophobicContact CD1-CG 4.31Å; Y118-Q144 HydrophobicContact CD2-CB 4.47Å; Y118-Q144 HydrophobicContact CD2-CG 3.78Å; Y118-Q144 HydrophobicContact CE1-CB 3.78Å; Y118-Q144 HydrophobicContact CE1-CG 4.1Å; Y118-Q144 HydrophobicContact CE2-CB 3.84Å; Y118-Q144 HydrophobicContact CE2-CG 3.5Å; Y118-Q144 VanDerWaalsContact CE2-CG 3.5Å; Y118-Q144 HydrophobicContact CG-CG 4.18Å; Y118-Q144 VanDerWaalsContact CZ-CB 3.46Å; Q140-Q144 PolarHBondContact O-N 3.42Å; V141-Q144 PolarHBondContact O-N 2.66Å; Q144-R146 PolarHBondContact O-N 3.03Å; Q144-M147 PolarHBondContact O-N 2.66Å; Q144-E148 PolarHBondContact NE2-OE1 3Å; Q144-E148 PolarHBondContact O-N 3.35Å
145	N	88	Confident	82	Confident	41 Å²	41	82 Å²	82	22%	0.219	44%	0.442	C	S	.	.	H	α-helix	trans	-58.7	-32.5	177.1	-74.4	-42.7	0	0	0	112.8	V141 E142 V143 K149	V141-N145 WeakPolarHBondContact O-CB 3.41Å; V141-N145 PolarHBondContact O-N 3.4Å; V141-N145 PolarHBondContact O-ND2 3.31Å; E142-N145 PolarHBondContact O-N 2.97Å; V143-N145 PolarHBondContact O-N 2.71Å; N145-K149 WeakPolarHBondContact O-CD 3.21Å; N145-K149 VanDerWaalsContact O-CG 3.27Å; N145-K149 WeakPolarHBondContact O-CG 3.46Å; N145-K149 PolarHBondContact O-N 2.9Å
146	R	88.6	Confident	79.9	Confident	171 Å²	171	79.1 Å²	79.1	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-72.8	-40	175.9	-70.7	173.4	-165.2	-155.1	7.4	111.7	E142 V143 Q144 K149 S150	E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.42Å; E142-R146 PolarHBondContact O-N 2.96Å; E142-R146 IonicContact OE2-NH2 3.68Å; V143-R146 WeakPolarHBondContact O-CB 3.32Å; V143-R146 PolarHBondContact O-N 3.26Å; V143-R146 VanDerWaalsContact O-N 3.15Å; Q144-R146 PolarHBondContact O-N 3.03Å; R146-K149 PolarHBondContact O-N 3.1Å; R146-S150 PolarHBondContact O-N 3.46Å
147	M	86.5	Confident	77.8	Confident	88 Å²	88	77.1 Å²	77.1	43%	0.433	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-47	177.4	-69.6	-171.9	-64.2	0	0	111.1	V143 Q144 K149 S150 E151	V143-M147 HydrophobicContact CG1-CE 4.1Å; V143-M147 WeakPolarHBondContact O-CG 3.13Å; V143-M147 PolarHBondContact O-N 3.1Å; Q144-M147 PolarHBondContact O-N 2.66Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.04Å; M147-S150 WeakPolarHBondContact O-CA 3.43Å; M147-S150 WeakPolarHBondContact O-CB 3.23Å; M147-S150 PolarHBondContact O-N 3.16Å; M147-S150 PolarHBondContact O-OG 2.96Å; M147-E151 PolarHBondContact O-N 3.31Å
148	E	83.9	Confident	75.9	Confident	99 Å²	99	81.4 Å²	81.4	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-42.5	177.3	-70.7	173.7	-173.9	0	0	112.3	Q144 S150 E151 G152	Q144-E148 PolarHBondContact NE2-OE1 3Å; Q144-E148 PolarHBondContact O-N 3.35Å; E148-S150 VanDerWaalsContact C-N 3.3Å; E148-S150 PolarHBondContact O-N 2.67Å; E148-E151 PolarHBondContact O-N 2.69Å; E148-G152 PolarHBondContact O-N 2.88Å
149	K	83	Confident	73.8	Confident	169 Å²	169	83.2 Å²	83.2	74%	0.735	48%	0.481	S	S	*	.	H	α-helix	trans	-64.3	-34.7	174.8	-72.6	173.3	-175.3	178.3	0	112.6	N145 R146 M147 G153	N145-K149 WeakPolarHBondContact O-CD 3.21Å; N145-K149 VanDerWaalsContact O-CG 3.27Å; N145-K149 WeakPolarHBondContact O-CG 3.46Å; N145-K149 PolarHBondContact O-N 2.9Å; R146-K149 PolarHBondContact O-N 3.1Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.04Å; K149-G153 PolarHBondContact O-N 3.09Å
150	S	80.2	Confident	71.7	Confident	81 Å²	81	90.9 Å²	90.9	57%	0.566	50%	0.5	S	S	*	.	H	α-helix	trans	-70.8	-36.3	178.7	77.4	0	0	0	0	112.2	R146 M147 E148 G153	R146-S150 PolarHBondContact O-N 3.46Å; M147-S150 WeakPolarHBondContact O-CA 3.43Å; M147-S150 WeakPolarHBondContact O-CB 3.23Å; M147-S150 PolarHBondContact O-N 3.16Å; M147-S150 PolarHBondContact O-OG 2.96Å; E148-S150 VanDerWaalsContact C-N 3.3Å; E148-S150 PolarHBondContact O-N 2.67Å; S150-G153 PolarHBondContact O-N 2.86Å
151	E	71.8	Confident	69.8	Low	139 Å²	139	89.3 Å²	89.3	65%	0.65	50%	0.502	S	S	*	.	H	α-helix	trans	-75.7	-37.4	177.2	-66.2	-170.2	138.6	0	0	112.1	M147 E148 G153 L154	M147-E151 PolarHBondContact O-N 3.31Å; E148-E151 PolarHBondContact O-N 2.69Å; E151-G153 PolarHBondContact O-N 3.38Å; E151-G153 VanDerWaalsContact O-N 3.12Å; E151-L154 PolarHBondContact O-N 2.76Å; E151-L154 VanDerWaalsContact O-N 3.13Å
152	G	59	Low	68	Low	53 Å²	53	93.9 Å²	93.9	55%	0.546	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-20.6	172.7	0	0	0	0	0	114.1	E148 L154 S155	E148-G152 PolarHBondContact O-N 2.88Å; G152-L154 VanDerWaalsContact C-N 3.29Å; G152-L154 PolarHBondContact O-N 3.13Å; G152-S155 PolarHBondContact O-N 2.83Å
153	G	49.8	Very low	66.2	Low	34 Å²	34	92.9 Å²	92.9	35%	0.351	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-70.4	-14.9	175.5	0	0	0	0	0	115.3	K149 S150 E151 S155 A156	K149-G153 PolarHBondContact O-N 3.09Å; S150-G153 PolarHBondContact O-N 2.86Å; E151-G153 PolarHBondContact O-N 3.38Å; E151-G153 VanDerWaalsContact O-N 3.12Å; G153-S155 PolarHBondContact O-N 2.74Å; G153-A156 PolarHBondContact O-N 2.88Å; G153-A156 VanDerWaalsContact O-N 3.14Å
154	L	49.9	Very low	64.4	Low	136 Å²	136	92.1 Å²	92.1	71%	0.712	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-70.1	-21.1	175.9	-80.3	138	0	0	0	112.9	E151 G152 A156 A157	E151-L154 PolarHBondContact O-N 2.76Å; E151-L154 VanDerWaalsContact O-N 3.13Å; G152-L154 VanDerWaalsContact C-N 3.29Å; G152-L154 PolarHBondContact O-N 3.13Å; L154-A156 PolarHBondContact O-N 3.15Å; L154-A157 WeakPolarHBondContact O-CB 3.41Å; L154-A157 PolarHBondContact O-N 3.05Å
155	S	52	Low	62.7	Low	110 Å²	110	93.6 Å²	93.6	77%	0.769	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.6	170.3	174.3	0	0	0	0	112.8	G152 G153 A157	G152-S155 PolarHBondContact O-N 2.83Å; G153-S155 PolarHBondContact O-N 2.74Å; S155-A157 VanDerWaalsContact C-N 3.31Å; S155-A157 PolarHBondContact O-N 3.01Å
156	A	49.7	Very low	61.1	Low	55 Å²	55	100.2 Å²	100.2	46%	0.455	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-90.6	15.2	177.8	0	0	0	0	0	113.8	G153 L154 P158 A159	G153-A156 PolarHBondContact O-N 2.88Å; G153-A156 VanDerWaalsContact O-N 3.14Å; L154-A156 PolarHBondContact O-N 3.15Å; A156-P158 VanDerWaalsContact C-N 3.28Å; A156-A159 PolarHBondContact O-N 3.33Å
157	A	52.2	Low	59.4	Low	59 Å²	59	99.1 Å²	99.1	49%	0.488	58%	0.581	S	S	.	*	H	α-helix	trans	-51.6	-32.2	175.5	0	0	0	0	0	115.5	L154 S155 A159 A161	L154-A157 WeakPolarHBondContact O-CB 3.41Å; L154-A157 PolarHBondContact O-N 3.05Å; S155-A157 VanDerWaalsContact C-N 3.31Å; S155-A157 PolarHBondContact O-N 3.01Å; A157-A159 VanDerWaalsContact C-N 3.3Å; A157-A159 PolarHBondContact O-N 2.91Å; A157-A161 PolarHBondContact O-N 2.85Å
158	P	52.7	Low	57.7	Low	90 Å²	90	100.5 Å²	100.5	58%	0.584	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-35	-179.6	-19	30.5	0	0	0	112.5	A156 V162	A156-P158 VanDerWaalsContact C-N 3.28Å; P158-V162 WeakPolarHBondContact O-CG2 3.27Å; P158-V162 PolarHBondContact O-N 3.41Å
159	A	51.6	Low	56.3	Low	66 Å²	66	104 Å²	104	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-73.8	-37.3	-174.1	0	0	0	0	0	112.7	A156 A157 S163	A156-A159 PolarHBondContact O-N 3.33Å; A157-A159 VanDerWaalsContact C-N 3.3Å; A157-A159 PolarHBondContact O-N 2.91Å; A159-S163 PolarHBondContact O-N 2.89Å; A159-S163 PolarHBondContact O-OG 2.87Å
160	R	50.8	Low	55	Low	205 Å²	205	100.6 Å²	100.6	77%	0.774	60%	0.599	S	S	*	*	H	α-helix	trans	-77	-32.7	178.7	-69.4	-174.6	-174.6	170.7	3.5	112.7	S163 A164	R160-S163 PolarHBondContact O-N 3.05Å; R160-A164 PolarHBondContact O-N 3.37Å
161	A	53.2	Low	53.7	Low	58 Å²	58	102.3 Å²	102.3	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-44.4	173.7	0	0	0	0	0	111.1	A157 S163 A164 V165	A157-A161 PolarHBondContact O-N 2.85Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 2.9Å; A161-A164 PolarHBondContact O-N 3.05Å; A161-V165 WeakPolarHBondContact O-CG2 3.34Å; A161-V165 PolarHBondContact O-N 3.48Å; A161-V165 VanDerWaalsContact O-N 3.16Å
162	V	52.8	Low	52.8	Low	100 Å²	100	104.4 Å²	104.4	61%	0.606	62%	0.618	S	S	*	*	H	α-helix	trans	-63.7	-36.4	-178.3	-179.4	0	0	0	0	112.1	P158 K166	P158-V162 WeakPolarHBondContact O-CG2 3.27Å; P158-V162 PolarHBondContact O-N 3.41Å; V162-K166 PolarHBondContact O-N 3.21Å
163	S	54.8	Low	52.6	Low	75 Å²	75	108 Å²	108	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-70.8	-33.1	176.5	-50.6	0	0	0	0	113	A159 R160 A161 K166	A159-S163 PolarHBondContact O-N 2.89Å; A159-S163 PolarHBondContact O-OG 2.87Å; R160-S163 PolarHBondContact O-N 3.05Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 2.9Å; S163-K166 PolarHBondContact O-N 2.82Å
164	A	52.3	Low	52.3	Low	55 Å²	55	111.2 Å²	111.2	46%	0.455	64%	0.638	S	S	.	*	H	α-helix	trans	-72.7	-34.9	178.3	0	0	0	0	0	112.7	R160 A161 K166 M168	R160-A164 PolarHBondContact O-N 3.37Å; A161-A164 PolarHBondContact O-N 3.05Å; A164-K166 VanDerWaalsContact C-N 3.33Å; A164-M168 PolarHBondContact O-N 2.95Å
165	V	54.8	Low	52.3	Low	81 Å²	81	116.1 Å²	116.1	49%	0.491	65%	0.647	S	S	.	*	H	α-helix	trans	-70.7	-27.2	174.4	-117.6	0	0	0	0	112.9	A161 N167 M168	A161-V165 WeakPolarHBondContact O-CG2 3.34Å; A161-V165 PolarHBondContact O-N 3.48Å; A161-V165 VanDerWaalsContact O-N 3.16Å; V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.27Å; V165-M168 HydrophobicContact CG1-CE 4.3Å
166	K	53.3	Low	52	Low	181 Å²	181	117.9 Å²	117.9	79%	0.787	65%	0.648	S	S	*	*	H	α-helix	trans	-73.1	-23.6	-179.7	-154.7	175.5	-175.6	-179.8	0	113.4	V162 S163 A164	V162-K166 PolarHBondContact O-N 3.21Å; S163-K166 PolarHBondContact O-N 2.82Å; A164-K166 VanDerWaalsContact C-N 3.33Å
167	N	52.9	Low	52	Low	147 Å²	147	121.9 Å²	121.9	79%	0.786	66%	0.66	S	S	*	*	S	Bend	trans	-100.3	-4.6	179.9	-72.2	-16	0	0	0	113.6	V165 N169	V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.27Å; N167-N169 PolarHBondContact O-N 3Å
168	M	51.3	Low	51.6	Low	117 Å²	117	126.6 Å²	126.6	58%	0.576	68%	0.677	S	S	*	*	S	Bend	trans	-82.3	115.8	167.8	-76.7	-168.9	-88.7	0	0	108.3	A164 V165 L170	A164-M168 PolarHBondContact O-N 2.95Å; V165-M168 HydrophobicContact CG1-CE 4.3Å; M168-L170 HydrophobicContact CB-CD1 3.66Å; M168-L170 PolarHBondContact O-N 3.28Å
169	N	54.6	Low	51.2	Low	173 Å²	173	128.7 Å²	128.7	93%	0.925	68%	0.682	S	S	*	*			trans	-65.6	80.5	163.9	-118.3	-3.7	0	0	0	107.4	N167	N167-N169 PolarHBondContact O-N 3Å
170	L	55.4	Low	50.9	Low	98 Å²	98	128.2 Å²	128.2	51%	0.513	68%	0.684	S	S	.	*			trans	-66.5	127.3	172.2	-91.8	89.7	0	0	0	107.7	M168 E172	M168-L170 HydrophobicContact CB-CD1 3.66Å; M168-L170 PolarHBondContact O-N 3.28Å; L170-E172 PolarHBondContact O-N 3.23Å
171	P	53.3	Low	50.8	Low	116 Å²	116	126.6 Å²	126.6	75%	0.753	69%	0.69	S	S	*	*			trans	-57.6	135.5	165.3	23.5	-30	0	0	0	108.6	I173	P171-I173 PolarHBondContact O-N 2.95Å
172	E	52.3	Low	50.6	Low	184 Å²	184	130.3 Å²	130.3	86%	0.86	70%	0.7	S	S	*	*			trans	-51	114.9	-179.2	-67.7	-167.6	153.5	0	0	110.1	L170 P174	L170-E172 PolarHBondContact O-N 3.23Å; E172-P174 WeakPolarHBondContact O-CD 3.18Å
173	I	54.5	Low	49.9	Very low	128 Å²	128	133.1 Å²	133.1	66%	0.656	71%	0.712	S	S	*	*			trans	-61.5	123	175.4	-61.8	165.5	0	0	0	106.7	P171 R175	P171-I173 PolarHBondContact O-N 2.95Å; I173-R175 PolarHBondContact O-N 3.29Å; I173-R175 VanDerWaalsContact O-N 3.13Å
174	P	43.5	Very low	49.7	Very low	101 Å²	101	136 Å²	136	66%	0.656	72%	0.721	S	S	*	*			trans	-59.1	122.1	-178.8	21	-30.5	0	0	0	109.6	E172 N176	E172-P174 WeakPolarHBondContact O-CD 3.18Å; P174-N176 PolarHBondContact O-N 2.92Å
175	R	51.4	Low	49.4	Very low	240 Å²	240	142.6 Å²	142.6	91%	0.906	74%	0.739	S	S	*	*	S	Bend	trans	-65.8	4.9	-172.4	-78.8	-174.7	-175.8	157.5	4.5	115.8	I173	I173-R175 PolarHBondContact O-N 3.29Å; I173-R175 VanDerWaalsContact O-N 3.13Å
176	N	44.7	Very low	49.3	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	75%	0.751	S	S	*	*			trans	-144	102.6	179.4	-84.2	-34.9	0	0	0	110.6	P174	P174-N176 PolarHBondContact O-N 2.92Å
177	I	49.4	Very low	48.9	Very low	139 Å²	139	141.5 Å²	141.5	71%	0.713	75%	0.749	S	S	*	*			trans	-92.5	102.4	159.8	-57.4	174.3	0	0	0	105.4	I179	I177-I179 HydrophobicContact CG2-CD1 3.92Å; I177-I179 HydrophobicContact CG2-CG1 4.02Å; I177-I179 PolarHBondContact O-N 3.29Å
178	N	43.3	Very low	48.5	Very low	157 Å²	157	140 Å²	140	84%	0.84	75%	0.751	S	S	*	*			trans	-87.8	90.4	174.2	-153.1	-21.9	0	0	0	107.9
179	I	45.6	Very low	48.4	Very low	135 Å²	135	142.7 Å²	142.7	69%	0.692	77%	0.766	S	S	*	*			trans	-96.1	127	161.6	-76.1	164.8	0	0	0	105.3	I177	I177-I179 HydrophobicContact CG2-CD1 3.92Å; I177-I179 HydrophobicContact CG2-CG1 4.02Å; I177-I179 PolarHBondContact O-N 3.29Å
180	G	45.5	Very low	47.8	Very low	56 Å²	56	139 Å²	139	58%	0.577	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.6	138.2	-172.4	0	0	0	0	0	114.8	I182	G180-I182 PolarHBondContact O-N 3.1Å
181	D	47	Very low	47.2	Very low	170 Å²	170	140.1 Å²	140.1	91%	0.909	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.7	18.9	161.6	-61.5	-25.2	0	0	0	120.3
182	I	48.9	Very low	46.6	Very low	136 Å²	136	147.9 Å²	147.9	70%	0.697	79%	0.789	S	S	*	*			trans	-131.1	100.2	166.4	-48.1	179.9	0	0	0	111.2	G180 I184	G180-I182 PolarHBondContact O-N 3.1Å; I182-I184 HydrophobicContact CG2-CD1 4.35Å; I182-I184 HydrophobicContact CG2-CG1 3.89Å; I182-I184 PolarHBondContact O-N 3.28Å
183	N	39.4	Very low	46.3	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	79%	0.786	S	S	*	*			trans	-82.5	90.7	176.3	-164.6	8.6	0	0	0	110.2	K185	N183-K185 PolarHBondContact O-N 3.06Å
184	I	50.7	Low	45.9	Very low	137 Å²	137	147 Å²	147	70%	0.703	79%	0.793	S	S	*	*			trans	-87	105.6	173.4	-58.5	177.7	0	0	0	108.8	I182 V186	I182-I184 HydrophobicContact CG2-CD1 4.35Å; I182-I184 HydrophobicContact CG2-CG1 3.89Å; I182-I184 PolarHBondContact O-N 3.28Å; I184-V186 PolarHBondContact O-N 3.16Å
185	K	45.2	Very low	46	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	80%	0.8	S	S	*	*			trans	-77.1	105.2	174.5	-134.6	179.3	-173.6	-178.7	0	109.1	N183	N183-K185 PolarHBondContact O-N 3.06Å
186	V	52.1	Low	45.7	Very low	124 Å²	124	144.2 Å²	144.2	75%	0.752	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-74.4	127	175.2	-152.8	0	0	0	0	108.9	I184 S188	I184-V186 PolarHBondContact O-N 3.16Å; V186-S188 PolarHBondContact O-N 3.23Å
187	P	45.1	Very low	45.8	Very low	115 Å²	115	144.1 Å²	144.1	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68	132.4	177.3	-16.5	29.9	0	0	0	111	L189	P187-L189 PolarHBondContact O-N 2.82Å
188	S	46.2	Very low	45.5	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.5	173.9	56	0	0	0	0	110.2	V186 S190	V186-S188 PolarHBondContact O-N 3.23Å; S188-S190 PolarHBondContact O-N 3.4Å
189	L	49.3	Very low	45.7	Very low	173 Å²	173	143.5 Å²	143.5	91%	0.906	80%	0.797	S	S	*	*			trans	-72	115.5	163.3	-77.9	162.7	0	0	0	108.4	P187	P187-L189 PolarHBondContact O-N 2.82Å
190	S	40.8	Very low	45.7	Very low	95 Å²	95	144.2 Å²	144.2	66%	0.664	81%	0.805	S	S	*	*			trans	-65.6	136.4	171	48.8	0	0	0	0	110.3	S188 F192	S188-S190 PolarHBondContact O-N 3.4Å; S190-F192 PolarHBondContact O-N 3.16Å
191	P	42.8	Very low	45.7	Very low	121 Å²	121	151.5 Å²	151.5	79%	0.786	82%	0.824	S	S	*	*			trans	-83.4	116.3	178.4	31.8	-29.4	0	0	0	110.5
192	F	40.9	Very low	45.6	Very low	279 Å²	279	149.8 Å²	149.8	100%	1.224	82%	0.816	S	S	*	*			trans	-135.7	0	149	-77.9	-70.1	0	0	0	108.1	S190	S190-F192 PolarHBondContact O-N 3.16Å

Retrieved 192 of 192 residues in 58.3 ms (Link to these results)

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