A0A077Z5W7_TRITR Loading...

AP 3 complex 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 A0A077Z5W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.4	Confident	93.8	Very high	76 Å²	76	30.4 Å²	30.4	37%	0.374	15%	0.146	S	C	.	.				0	152.7	0	-63.3	-173.5	66.4	0	0	111.9	S78 D79 E82 G127 M129	M1-S78 WeakPolarHBondContact O-CA 3.25Å; M1-D79 PolarHBondContact N-OD1 3.46Å; M1-D79 PolarHBondContact N-OD2 3.29Å; M1-D79 PolarHBondContact O-N 3.34Å; M1-E82 WeakPolarHBondContact CA-OE1 3.09Å; M1-E82 PolarHBondContact N-OE1 3.45Å; M1-G127 VanDerWaalsContact CE-O 3.25Å; M1-G127 WeakPolarHBondContact CE-O 3.12Å; M1-M129 HydrophobicContact CE-CG 3.76Å
2	I	93.2	Very high	93.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.2	172.9	-57.2	170.1	0	0	0	108.5	I5 F20 F76 C77 E82 I87 L90 V125 G128 V130	I2-I5 HydrophobicContact CG2-CD1 4.19Å; I2-I5 HydrophobicContact CG2-CG1 3.84Å; I2-F20 HydrophobicContact CB-CD2 4.48Å; I2-F20 HydrophobicContact CB-CE2 4.25Å; I2-F20 HydrophobicContact CG2-CD2 4.15Å; I2-F20 HydrophobicContact CG2-CE2 3.73Å; I2-F20 VanDerWaalsContact O-CD2 3.25Å; I2-F20 WeakPolarHBondContact O-CD2 3.19Å; I2-F76 HydrophobicContact CD1-CD1 4.23Å; I2-F76 HydrophobicContact CD1-CE1 4.45Å; I2-F76 HydrophobicContact CG2-CD1 4.27Å; I2-C77 CarbonylContact C-O 3.49Å; I2-E82 HydrophobicContact CG1-CG 4.43Å; I2-I87 HydrophobicContact CD1-CD1 3.88Å; I2-I87 HydrophobicContact CG1-CD1 3.81Å; I2-L90 HydrophobicContact CD1-CD2 3.66Å; I2-V125 HydrophobicContact CB-CG1 4.47Å; I2-V125 HydrophobicContact CD1-CG1 3.82Å; I2-V125 HydrophobicContact CD1-CG2 3.96Å; I2-G128 PolarHBondContact N-O 3.42Å; I2-G128 WeakPolarHBondContact O-CA 3.45Å; I2-V130 HydrophobicContact CD1-CG2 3.98Å
3	K	91.5	Very high	93.6	Very high	37 Å²	37	36.5 Å²	36.5	16%	0.161	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-39.3	-177.3	-58.8	-62.4	-172.1	174.1	0	112.8	F20 E21 F55 C77 D79	K3-F20 PolarHBondContact O-N 3.44Å; K3-E21 WeakPolarHBondContact CD-OE1 3.3Å; K3-E21 WeakPolarHBondContact CE-OE1 3.33Å; K3-E21 IonicContact NZ-OE1 2.7Å; K3-E21 PolarHBondContact NZ-OE1 3.42Å; K3-F55 HydrophobicContact CB-CE1 3.41Å; K3-F55 VanDerWaalsContact CB-CE1 3.41Å; K3-F55 HydrophobicContact CB-CZ 3.68Å; K3-F55 HydrophobicContact CG-CE1 4.11Å; K3-C77 PolarHBondContact N-O 3.07Å; K3-D79 WeakPolarHBondContact CE-OD2 3.1Å; K3-D79 IonicContact NZ-OD2 2.7Å
4	A	93.2	Very high	93.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	152.6	177.7	0	0	0	0	0	111.8	K18 F19 F55 C77	A4-K18 CarbonylContact C-O 3.5Å; A4-K18 VanDerWaalsContact CA-O 3.24Å; A4-K18 WeakPolarHBondContact CA-O 3.21Å; A4-F19 HydrophobicContact CB-CD1 3.62Å; A4-F19 HydrophobicContact CB-CE1 3.84Å; A4-F19 HydrophobicContact CB-CG 4.23Å; A4-F55 HydrophobicContact CB-CE2 3.51Å; A4-F55 HydrophobicContact CB-CZ 3.59Å; A4-C77 HydrophobicContact CB-CB 4.26Å; A4-C77 PolarHBondContact N-O 2.96Å; A4-C77 PolarHBondContact O-N 3.44Å
5	I	96.1	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.7	173.6	-58.9	174.1	0	0	0	106.9	I2 L16 K18 F20 F76 L121 V125	I2-I5 HydrophobicContact CG2-CD1 4.19Å; I2-I5 HydrophobicContact CG2-CG1 3.84Å; I5-L16 HydrophobicContact CG2-CD2 3.99Å; I5-K18 HydrophobicContact CB-CB 4.45Å; I5-K18 PolarHBondContact N-O 3.46Å; I5-K18 PolarHBondContact O-N 2.78Å; I5-F20 HydrophobicContact CD1-CE2 3.87Å; I5-F20 HydrophobicContact CD1-CZ 3.99Å; I5-F20 HydrophobicContact CG1-CE2 4.05Å; I5-F76 HydrophobicContact CB-CE2 4.47Å; I5-F76 HydrophobicContact CB-CZ 4.49Å; I5-F76 HydrophobicContact CD1-CD1 4Å; I5-F76 HydrophobicContact CD1-CE1 3.45Å; I5-F76 VanDerWaalsContact CD1-CE1 3.45Å; I5-F76 HydrophobicContact CD1-CZ 3.77Å; I5-F76 HydrophobicContact CG1-CD1 3.79Å; I5-F76 HydrophobicContact CG1-CD2 4.4Å; I5-F76 HydrophobicContact CG1-CE1 3.72Å; I5-F76 HydrophobicContact CG1-CE2 4.34Å; I5-F76 HydrophobicContact CG1-CG 4.14Å; I5-F76 HydrophobicContact CG1-CZ 4Å; I5-F76 HydrophobicContact CG2-CD2 3.95Å; I5-F76 HydrophobicContact CG2-CE1 4.32Å; I5-F76 HydrophobicContact CG2-CE2 3.49Å; I5-F76 VanDerWaalsContact CG2-CE2 3.49Å; I5-F76 HydrophobicContact CG2-CZ 3.7Å; I5-L121 HydrophobicContact CB-CD2 4.44Å; I5-L121 HydrophobicContact CD1-CD1 3.87Å; I5-L121 HydrophobicContact CD1-CD2 4.19Å; I5-L121 HydrophobicContact CD1-CG 4.38Å; I5-L121 HydrophobicContact CG2-CD2 4.12Å; I5-V125 HydrophobicContact CD1-CB 4.12Å; I5-V125 HydrophobicContact CD1-CG1 4.24Å; I5-V125 HydrophobicContact CD1-CG2 4.14Å
6	M	95.3	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.1	-176.9	-58	178.5	-71.3	0	0	109.1	F8 L16 L17 F19 V32 T35 V75	M6-F8 HydrophobicContact CB-CD1 4.33Å; M6-F8 HydrophobicContact CB-CE1 4.42Å; M6-L16 CarbonylContact C-O 3.59Å; M6-L16 WeakPolarHBondContact CA-O 3.45Å; M6-L17 HydrophobicContact CB-CD2 3.91Å; M6-L17 HydrophobicContact CG-CD2 3.74Å; M6-L17 HydrophobicContact SD-CD2 4.43Å; M6-F19 HydrophobicContact SD-CZ 4.26Å; M6-V32 HydrophobicContact SD-CG2 3.86Å; M6-T35 HydrophobicContact CE-CG2 3.99Å; M6-V75 HydrophobicContact CB-CB 4.46Å; M6-V75 HydrophobicContact CE-CB 4.45Å; M6-V75 HydrophobicContact CE-CG1 4.19Å; M6-V75 PolarHBondContact N-O 2.86Å; M6-V75 PolarHBondContact O-N 2.81Å
7	V	97.3	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.9	169.6	-173	0	0	0	0	107.7	R15 L16 L72 Y73 F74 F94 L110	V7-R15 HydrophobicContact CB-CB 4.41Å; V7-R15 HydrophobicContact CG1-CB 4.26Å; V7-R15 PolarHBondContact O-N 3.41Å; V7-L16 HydrophobicContact CB-CB 4.02Å; V7-L16 HydrophobicContact CG2-CB 4.07Å; V7-L16 HydrophobicContact CG2-CD2 4.37Å; V7-L16 PolarHBondContact N-O 3.43Å; V7-L16 PolarHBondContact O-N 3.38Å; V7-L16 VanDerWaalsContact O-N 3.16Å; V7-L72 HydrophobicContact CG1-CB 4.34Å; V7-L72 HydrophobicContact CG1-CD1 4.35Å; V7-L72 HydrophobicContact CG1-CD2 4.44Å; V7-Y73 VanDerWaalsContact CA-O 3.29Å; V7-Y73 WeakPolarHBondContact CA-O 3.5Å; V7-F74 HydrophobicContact CG1-CD1 4.16Å; V7-F74 HydrophobicContact CG1-CD2 4.4Å; V7-F74 HydrophobicContact CG1-CE1 3.99Å; V7-F74 HydrophobicContact CG1-CE2 4.24Å; V7-F74 HydrophobicContact CG1-CG 4.36Å; V7-F74 HydrophobicContact CG1-CZ 4.03Å; V7-F74 HydrophobicContact CG2-CD1 3.56Å; V7-F74 HydrophobicContact CG2-CE1 3.81Å; V7-F74 HydrophobicContact CG2-CG 4.23Å; V7-F94 HydrophobicContact CG2-CE1 4.47Å; V7-L110 HydrophobicContact CG1-CD2 4.16Å
8	F	96	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.1	177.5	51.2	-100.7	0	0	0	110.9	M6 K13 V32 T35 F36 L39 Y73 V75	M6-F8 HydrophobicContact CB-CD1 4.33Å; M6-F8 HydrophobicContact CB-CE1 4.42Å; F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.37Å; F8-K13 VanDerWaalsContact CB-O 3.28Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; F8-V32 HydrophobicContact CD1-CG1 4.31Å; F8-T35 HydrophobicContact CE1-CG2 4Å; F8-T35 HydrophobicContact CZ-CG2 3.94Å; F8-F36 HydrophobicContact CD2-CB 4.43Å; F8-F36 AromaticContact CD2-CD2 3.83Å; F8-F36 HydrophobicContact CD2-CD2 3.83Å; F8-F36 HydrophobicContact CE2-CB 4.04Å; F8-F36 AromaticContact CE2-CD2 3.7Å; F8-F36 HydrophobicContact CE2-CD2 3.7Å; F8-F36 HydrophobicContact CE2-CG 4.37Å; F8-F36 HydrophobicContact CZ-CB 4.32Å; F8-L39 HydrophobicContact CE2-CD1 4.14Å; F8-L39 HydrophobicContact CZ-CD1 3.62Å; F8-Y73 HydrophobicContact CD2-CD2 4.11Å; F8-Y73 HydrophobicContact CD2-CG 4.35Å; F8-Y73 AromaticContact CE2-CD2 3.88Å; F8-Y73 HydrophobicContact CE2-CD2 3.88Å; F8-Y73 AromaticContact CE2-CG 3.83Å; F8-Y73 HydrophobicContact CE2-CG 3.83Å; F8-Y73 PolarHBondContact N-O 3.27Å; F8-Y73 VanDerWaalsContact N-O 3.14Å; F8-Y73 PolarHBondContact O-N 3.46Å; F8-V75 HydrophobicContact CE1-CB 4.46Å; F8-V75 HydrophobicContact CE1-CG2 3.65Å; F8-V75 HydrophobicContact CZ-CG2 3.69Å
9	N	94.4	Very high	94.1	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	178.3	-178.2	74.8	0.3	0	0	0	113.5	H11 G12 K13 R15 T71 L72 E107	N9-H11 PolarHBondContact O-N 3.13Å; N9-H11 WeakPolarHBondContact OD1-CA 3.42Å; N9-H11 WeakPolarHBondContact OD1-CB 3.48Å; N9-H11 PolarHBondContact OD1-N 3.4Å; N9-G12 PolarHBondContact O-N 3.03Å; N9-G12 PolarHBondContact OD1-N 3.08Å; N9-K13 PolarHBondContact N-O 3.5Å; N9-K13 WeakPolarHBondContact OD1-CB 3.34Å; N9-K13 PolarHBondContact OD1-N 2.76Å; N9-R15 PolarHBondContact ND2-NH2 3.37Å; N9-R15 VanDerWaalsContact ND2-NH2 3.18Å; N9-T71 CarbonylContact C-O 3.54Å; N9-T71 WeakPolarHBondContact CA-O 3.46Å; N9-L72 HydrophobicContact CB-CD2 3.95Å; N9-E107 WeakPolarHBondContact CB-OE1 3.49Å; N9-E107 PolarHBondContact ND2-OE1 2.67Å; N9-E107 VanDerWaalsContact ND2-OE1 3.1Å
10	N	92.3	Very high	94	Very high	66 Å²	66	37.9 Å²	37.9	35%	0.353	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.9	176	-67.1	-15.9	0	0	0	115	F36 H68 T71 Y73	N10-F36 WeakPolarHBondContact O-CE2 3.42Å; N10-F36 VanDerWaalsContact O-CZ 3.31Å; N10-F36 WeakPolarHBondContact O-CZ 3.45Å; N10-H68 PolarHBondContact OD1-NE2 3.39Å; N10-T71 PolarHBondContact N-O 3.37Å; N10-T71 PolarHBondContact OD1-O 2.96Å; N10-Y73 WeakPolarHBondContact OD1-CE2 3.1Å
11	H	92.8	Very high	93.7	Very high	147 Å²	147	40.8 Å²	40.8	68%	0.681	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	7	175.6	-55.7	-60.4	0	0	0	113.1	N9 K13	N9-H11 PolarHBondContact O-N 3.13Å; N9-H11 WeakPolarHBondContact OD1-CA 3.42Å; N9-H11 WeakPolarHBondContact OD1-CB 3.48Å; N9-H11 PolarHBondContact OD1-N 3.4Å; H11-K13 VanDerWaalsContact C-N 3.26Å; H11-K13 HydrophobicContact CB-CG 4.47Å; H11-K13 PolarHBondContact O-N 3.16Å
12	G	90.7	Very high	93.6	Very high	19 Å²	19	43.5 Å²	43.5	20%	0.196	23%	0.226	C	C	.	.	S	Bend	trans	73.7	15.5	-178.3	0	0	0	0	0	113.8	N9 F36	N9-G12 PolarHBondContact O-N 3.03Å; N9-G12 PolarHBondContact OD1-N 3.08Å; G12-F36 VanDerWaalsContact CA-CD2 3.43Å; G12-F36 VanDerWaalsContact CA-CG 3.49Å
13	K	94.6	Very high	93.3	Very high	122 Å²	122	44.8 Å²	44.8	53%	0.53	23%	0.234	S	C	.	.			trans	-82.9	124.4	175.4	-63.7	-176.5	177.8	178.5	0	109.4	F8 N9 H11	F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.37Å; F8-K13 VanDerWaalsContact CB-O 3.28Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; N9-K13 PolarHBondContact N-O 3.5Å; N9-K13 WeakPolarHBondContact OD1-CB 3.34Å; N9-K13 PolarHBondContact OD1-N 2.76Å; H11-K13 VanDerWaalsContact C-N 3.26Å; H11-K13 HydrophobicContact CB-CG 4.47Å; H11-K13 PolarHBondContact O-N 3.16Å
14	P	95.3	Very high	93.3	Very high	64 Å²	64	47.1 Å²	47.1	42%	0.416	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	146.9	177.9	27.7	-33.5	0	0	0	111.6	L17	P14-L17 HydrophobicContact CB-CD1 3.76Å; P14-L17 HydrophobicContact CB-CD2 4.08Å; P14-L17 HydrophobicContact CB-CG 3.82Å; P14-L17 HydrophobicContact CG-CD1 4.25Å
15	R	96	Very high	93.2	Very high	56 Å²	56	53.6 Å²	53.6	21%	0.211	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-35.2	175.4	-58.7	-61.4	171.3	-138.5	20.2	111.3	V7 N9 L72 E107 L110	V7-R15 HydrophobicContact CB-CB 4.41Å; V7-R15 HydrophobicContact CG1-CB 4.26Å; V7-R15 PolarHBondContact O-N 3.41Å; N9-R15 PolarHBondContact ND2-NH2 3.37Å; N9-R15 VanDerWaalsContact ND2-NH2 3.18Å; R15-L72 HydrophobicContact CG-CD2 3.83Å; R15-E107 IonicContact CZ-OE1 3.94Å; R15-E107 IonicContact NE-OE1 3.2Å; R15-E107 PolarHBondContact NE-OE1 3.16Å; R15-E107 IonicContact NH2-OE1 2.92Å; R15-E107 PolarHBondContact NH2-OE1 3.42Å; R15-L110 HydrophobicContact CB-CD2 4.49Å
16	L	96.5	Very high	92.9	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	136	171.1	179.5	146.4	0	0	0	108.7	I5 M6 V7 K18 F94 V117 L121	I5-L16 HydrophobicContact CG2-CD2 3.99Å; M6-L16 CarbonylContact C-O 3.59Å; M6-L16 WeakPolarHBondContact CA-O 3.45Å; V7-L16 HydrophobicContact CB-CB 4.02Å; V7-L16 HydrophobicContact CG2-CB 4.07Å; V7-L16 HydrophobicContact CG2-CD2 4.37Å; V7-L16 PolarHBondContact N-O 3.43Å; V7-L16 PolarHBondContact O-N 3.38Å; V7-L16 VanDerWaalsContact O-N 3.16Å; L16-K18 HydrophobicContact CD2-CB 4.31Å; L16-F94 HydrophobicContact CD1-CZ 4.37Å; L16-V117 HydrophobicContact CD1-CB 4.48Å; L16-V117 HydrophobicContact CD1-CG1 3.5Å; L16-L121 HydrophobicContact CD1-CD2 3.85Å; L16-L121 HydrophobicContact CD2-CD2 3.63Å; L16-L121 HydrophobicContact CG-CD2 4.35Å
17	L	95.6	Very high	92.6	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.4	174.1	-64.4	178.3	0	0	0	108.5	M6 P14 F19 V32	M6-L17 HydrophobicContact CB-CD2 3.91Å; M6-L17 HydrophobicContact CG-CD2 3.74Å; M6-L17 HydrophobicContact SD-CD2 4.43Å; P14-L17 HydrophobicContact CB-CD1 3.76Å; P14-L17 HydrophobicContact CB-CD2 4.08Å; P14-L17 HydrophobicContact CB-CG 3.82Å; P14-L17 HydrophobicContact CG-CD1 4.25Å; L17-F19 HydrophobicContact CB-CE2 4.15Å; L17-V32 HydrophobicContact CD1-CG2 3.99Å; L17-V32 HydrophobicContact CD2-CG2 3.34Å; L17-V32 HydrophobicContact CG-CG2 4.34Å
18	K	95.1	Very high	92.3	Very high	30 Å²	30	67.1 Å²	67.1	13%	0.13	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.4	177.7	-170.4	174.8	-172.6	-175.5	0	109.4	A4 I5 L16 F20 L121 N122 V125	A4-K18 CarbonylContact C-O 3.5Å; A4-K18 VanDerWaalsContact CA-O 3.24Å; A4-K18 WeakPolarHBondContact CA-O 3.21Å; I5-K18 HydrophobicContact CB-CB 4.45Å; I5-K18 PolarHBondContact N-O 3.46Å; I5-K18 PolarHBondContact O-N 2.78Å; L16-K18 HydrophobicContact CD2-CB 4.31Å; K18-F20 HydrophobicContact CD-CE1 4.07Å; K18-F20 HydrophobicContact CD-CZ 3.95Å; K18-F20 HydrophobicContact CG-CE1 4.26Å; K18-F20 HydrophobicContact CG-CZ 4.22Å; K18-L121 HydrophobicContact CB-CD2 4.32Å; K18-L121 HydrophobicContact CD-CD2 3.65Å; K18-L121 HydrophobicContact CD-CG 4.21Å; K18-N122 PolarHBondContact NZ-OD1 3.25Å; K18-V125 PolarHBondContact NZ-O 3.21Å
19	F	93.1	Very high	92.1	Very high	30 Å²	30	71.1 Å²	71.1	13%	0.132	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132	176	-65	-99.4	0	0	0	108.4	A4 M6 L17 V23 Q28 L31 F55	A4-F19 HydrophobicContact CB-CD1 3.62Å; A4-F19 HydrophobicContact CB-CE1 3.84Å; A4-F19 HydrophobicContact CB-CG 4.23Å; M6-F19 HydrophobicContact SD-CZ 4.26Å; L17-F19 HydrophobicContact CB-CE2 4.15Å; F19-V23 HydrophobicContact CD1-CB 4.32Å; F19-V23 HydrophobicContact CD1-CG2 4.1Å; F19-Q28 HydrophobicContact CD1-CG 4.33Å; F19-Q28 HydrophobicContact CD2-CB 4.33Å; F19-Q28 HydrophobicContact CD2-CG 3.69Å; F19-Q28 VanDerWaalsContact CD2-OE1 3.29Å; F19-Q28 HydrophobicContact CE1-CB 4.45Å; F19-Q28 HydrophobicContact CE1-CG 4.12Å; F19-Q28 HydrophobicContact CE2-CB 3.61Å; F19-Q28 HydrophobicContact CE2-CG 3.47Å; F19-Q28 VanDerWaalsContact CE2-CG 3.47Å; F19-Q28 VanDerWaalsContact CE2-OE1 3.29Å; F19-Q28 HydrophobicContact CG-CG 4.13Å; F19-Q28 HydrophobicContact CZ-CB 3.69Å; F19-Q28 HydrophobicContact CZ-CG 3.72Å; F19-L31 HydrophobicContact CE1-CD1 3.82Å; F19-L31 HydrophobicContact CZ-CD1 4.49Å; F19-F55 HydrophobicContact CD1-CE2 4.1Å; F19-F55 HydrophobicContact CD1-CZ 4.41Å; F19-F55 AromaticContact CE1-CE2 3.82Å; F19-F55 HydrophobicContact CE1-CE2 3.82Å
20	F	92	Very high	91.9	Very high	47 Å²	47	74.6 Å²	74.6	21%	0.206	39%	0.385	C	S	.	.	S	Bend	trans	-91.1	-9.4	179.3	-62.3	-70.9	0	0	0	112.7	I2 K3 I5 K18 V125 G128	I2-F20 HydrophobicContact CB-CD2 4.48Å; I2-F20 HydrophobicContact CB-CE2 4.25Å; I2-F20 HydrophobicContact CG2-CD2 4.15Å; I2-F20 HydrophobicContact CG2-CE2 3.73Å; I2-F20 VanDerWaalsContact O-CD2 3.25Å; I2-F20 WeakPolarHBondContact O-CD2 3.19Å; K3-F20 PolarHBondContact O-N 3.44Å; I5-F20 HydrophobicContact CD1-CE2 3.87Å; I5-F20 HydrophobicContact CD1-CZ 3.99Å; I5-F20 HydrophobicContact CG1-CE2 4.05Å; K18-F20 HydrophobicContact CD-CE1 4.07Å; K18-F20 HydrophobicContact CD-CZ 3.95Å; K18-F20 HydrophobicContact CG-CE1 4.26Å; K18-F20 HydrophobicContact CG-CZ 4.22Å; F20-V125 HydrophobicContact CE1-CG1 4.18Å; F20-V125 HydrophobicContact CE2-CG1 3.86Å; F20-V125 HydrophobicContact CZ-CB 4.12Å; F20-V125 HydrophobicContact CZ-CG1 3.4Å; F20-G128 VanDerWaalsContact CG-N 3.3Å
21	E	88.2	Confident	91.8	Very high	99 Å²	99	71.9 Å²	71.9	46%	0.463	37%	0.371	S	S	.	.	S	Bend	trans	-110.2	154.5	172.1	-65.3	179.7	169.5	0	0	109.8	K3 V23	K3-E21 WeakPolarHBondContact CD-OE1 3.3Å; K3-E21 WeakPolarHBondContact CE-OE1 3.33Å; K3-E21 IonicContact NZ-OE1 2.7Å; K3-E21 PolarHBondContact NZ-OE1 3.42Å; E21-V23 HydrophobicContact CB-CG2 4.49Å; E21-V23 PolarHBondContact O-N 3.16Å
22	S	86.7	Confident	91.7	Very high	134 Å²	134	65.1 Å²	65.1	94%	0.937	34%	0.34	S	S	*	.			trans	-70.9	99.6	177	-169.6	0	0	0	0	109.6
23	V	87.3	Confident	91.7	Very high	27 Å²	27	70.5 Å²	70.5	16%	0.164	35%	0.354	C	S	.	.			trans	-115.4	127.2	178.6	-177.5	0	0	0	0	108.6	F19 E21 V27 Q28 L31	F19-V23 HydrophobicContact CD1-CB 4.32Å; F19-V23 HydrophobicContact CD1-CG2 4.1Å; E21-V23 HydrophobicContact CB-CG2 4.49Å; E21-V23 PolarHBondContact O-N 3.16Å; V23-V27 HydrophobicContact CG1-CB 3.73Å; V23-V27 HydrophobicContact CG1-CG1 3.66Å; V23-Q28 HydrophobicContact CB-CG 3.96Å; V23-Q28 HydrophobicContact CG1-CG 3.71Å; V23-Q28 PolarHBondContact O-NE2 2.95Å; V23-L31 HydrophobicContact CG1-CD1 4.35Å
24	P	90.5	Very high	91.5	Very high	86 Å²	86	66.5 Å²	66.5	56%	0.558	34%	0.338	S	S	*	.			trans	-58.1	143.6	174.8	-23.2	33.1	0	0	0	112	E26 V27 Q28	P24-E26 PolarHBondContact O-N 3.18Å; P24-V27 HydrophobicContact CB-CG2 4.21Å; P24-V27 HydrophobicContact CG-CG2 4.27Å; P24-V27 WeakPolarHBondContact O-CA 3.36Å; P24-V27 WeakPolarHBondContact O-CB 3.48Å; P24-V27 PolarHBondContact O-N 3.44Å; P24-Q28 WeakPolarHBondContact O-CG 3.49Å; P24-Q28 PolarHBondContact O-N 3.45Å
25	E	90.9	Very high	91.3	Very high	137 Å²	137	63.7 Å²	63.7	64%	0.64	32%	0.319	S	S	*	.	H	α-helix	trans	-55.5	-38.9	-176.5	-169.6	-173.8	160.6	0	0	112.8	V27 Q28 Q29	E25-V27 VanDerWaalsContact C-N 3.29Å; E25-V27 PolarHBondContact O-N 3.01Å; E25-Q28 WeakPolarHBondContact O-CB 3.44Å; E25-Q28 PolarHBondContact O-N 3.33Å; E25-Q28 VanDerWaalsContact O-N 3.15Å; E25-Q29 WeakPolarHBondContact O-CG 3.4Å; E25-Q29 PolarHBondContact O-N 2.93Å; E25-Q29 PolarHBondContact OE1-NE2 3.08Å
26	E	91	Very high	91.1	Very high	168 Å²	168	62.9 Å²	62.9	79%	0.785	32%	0.317	S	S	*	.	H	α-helix	trans	-60.5	-40.1	177.2	-171.7	168.1	-164.1	0	0	112.1	P24 Q30	P24-E26 PolarHBondContact O-N 3.18Å; E26-Q30 WeakPolarHBondContact O-CB 3.35Å; E26-Q30 PolarHBondContact O-N 3.29Å
27	V	89.2	Confident	90.7	Very high	68 Å²	68	67.9 Å²	67.9	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-70.5	-40	175.5	-179.2	0	0	0	0	110.3	V23 P24 E25 Q29 Q30 L31	V23-V27 HydrophobicContact CG1-CB 3.73Å; V23-V27 HydrophobicContact CG1-CG1 3.66Å; P24-V27 HydrophobicContact CB-CG2 4.21Å; P24-V27 HydrophobicContact CG-CG2 4.27Å; P24-V27 WeakPolarHBondContact O-CA 3.36Å; P24-V27 WeakPolarHBondContact O-CB 3.48Å; P24-V27 PolarHBondContact O-N 3.44Å; E25-V27 VanDerWaalsContact C-N 3.29Å; E25-V27 PolarHBondContact O-N 3.01Å; V27-Q29 PolarHBondContact O-N 3.14Å; V27-Q30 WeakPolarHBondContact O-CB 3.34Å; V27-Q30 PolarHBondContact O-N 3.48Å; V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 WeakPolarHBondContact O-CB 3.36Å; V27-L31 VanDerWaalsContact O-CG 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.41Å; V27-L31 PolarHBondContact O-N 3.38Å
28	Q	90.5	Very high	90.3	Very high	47 Å²	47	68.9 Å²	68.9	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-47.2	175.1	-62.6	-177	25.7	0	0	111.5	F19 V23 P24 E25 Q30 L31 V32	F19-Q28 HydrophobicContact CD1-CG 4.33Å; F19-Q28 HydrophobicContact CD2-CB 4.33Å; F19-Q28 HydrophobicContact CD2-CG 3.69Å; F19-Q28 VanDerWaalsContact CD2-OE1 3.29Å; F19-Q28 HydrophobicContact CE1-CB 4.45Å; F19-Q28 HydrophobicContact CE1-CG 4.12Å; F19-Q28 HydrophobicContact CE2-CB 3.61Å; F19-Q28 HydrophobicContact CE2-CG 3.47Å; F19-Q28 VanDerWaalsContact CE2-CG 3.47Å; F19-Q28 VanDerWaalsContact CE2-OE1 3.29Å; F19-Q28 HydrophobicContact CG-CG 4.13Å; F19-Q28 HydrophobicContact CZ-CB 3.69Å; F19-Q28 HydrophobicContact CZ-CG 3.72Å; V23-Q28 HydrophobicContact CB-CG 3.96Å; V23-Q28 HydrophobicContact CG1-CG 3.71Å; V23-Q28 PolarHBondContact O-NE2 2.95Å; P24-Q28 WeakPolarHBondContact O-CG 3.49Å; P24-Q28 PolarHBondContact O-N 3.45Å; E25-Q28 WeakPolarHBondContact O-CB 3.44Å; E25-Q28 PolarHBondContact O-N 3.33Å; E25-Q28 VanDerWaalsContact O-N 3.15Å; Q28-Q30 VanDerWaalsContact C-N 3.31Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q28-L31 PolarHBondContact O-N 2.98Å; Q28-V32 WeakPolarHBondContact O-CG2 3.42Å; Q28-V32 PolarHBondContact O-N 3.49Å
29	Q	91.3	Very high	90	Very high	85 Å²	85	67.6 Å²	67.6	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-39	177.5	-68.3	-171.8	12.7	0	0	112	E25 V27 V32 R33	E25-Q29 WeakPolarHBondContact O-CG 3.4Å; E25-Q29 PolarHBondContact O-N 2.93Å; E25-Q29 PolarHBondContact OE1-NE2 3.08Å; V27-Q29 PolarHBondContact O-N 3.14Å; Q29-V32 PolarHBondContact O-N 3.32Å; Q29-R33 WeakPolarHBondContact O-CG 3.25Å; Q29-R33 PolarHBondContact O-N 2.95Å; Q29-R33 VanDerWaalsContact O-N 3.09Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.16Å
30	Q	90.7	Very high	89.7	Confident	79 Å²	79	69 Å²	69	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-45.2	175.7	-178.1	59.9	18.5	0	0	111.4	E26 V27 Q28 V32 R33 E34	E26-Q30 WeakPolarHBondContact O-CB 3.35Å; E26-Q30 PolarHBondContact O-N 3.29Å; V27-Q30 WeakPolarHBondContact O-CB 3.34Å; V27-Q30 PolarHBondContact O-N 3.48Å; Q28-Q30 VanDerWaalsContact C-N 3.31Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q30-V32 VanDerWaalsContact C-N 3.32Å; Q30-V32 PolarHBondContact O-N 2.98Å; Q30-R33 PolarHBondContact O-N 3.25Å; Q30-E34 HydrophobicContact CG-CG 4.49Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.43Å; Q30-E34 PolarHBondContact NE2-OE1 3.16Å; Q30-E34 WeakPolarHBondContact O-CG 3.47Å; Q30-E34 PolarHBondContact O-N 3.04Å
31	L	89.3	Confident	89.4	Confident	9 Å²	9	74.8 Å²	74.8	5%	0.047	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-40.7	177.2	-70.6	169.3	0	0	0	112.2	F19 V23 V27 Q28 T35 F55	F19-L31 HydrophobicContact CE1-CD1 3.82Å; F19-L31 HydrophobicContact CZ-CD1 4.49Å; V23-L31 HydrophobicContact CG1-CD1 4.35Å; V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 WeakPolarHBondContact O-CB 3.36Å; V27-L31 VanDerWaalsContact O-CG 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.41Å; V27-L31 PolarHBondContact O-N 3.38Å; Q28-L31 PolarHBondContact O-N 2.98Å; L31-T35 VanDerWaalsContact O-CB 3.22Å; L31-T35 WeakPolarHBondContact O-CB 3.47Å; L31-T35 PolarHBondContact O-N 3.45Å; L31-T35 PolarHBondContact O-OG1 3.27Å; L31-F55 HydrophobicContact CD1-CD2 3.69Å; L31-F55 HydrophobicContact CD1-CE2 3.87Å; L31-F55 HydrophobicContact CD2-CB 4Å; L31-F55 HydrophobicContact CD2-CD2 3.88Å; L31-F55 HydrophobicContact CD2-CG 4.32Å; L31-F55 VanDerWaalsContact CD2-N 3.34Å; L31-F55 HydrophobicContact CG-CD2 4.28Å
32	V	92.1	Very high	89.2	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.036	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-45.3	175.7	174.1	0	0	0	0	111	M6 F8 L17 Q28 Q29 Q30 T35 F36	M6-V32 HydrophobicContact SD-CG2 3.86Å; F8-V32 HydrophobicContact CD1-CG1 4.31Å; L17-V32 HydrophobicContact CD1-CG2 3.99Å; L17-V32 HydrophobicContact CD2-CG2 3.34Å; L17-V32 HydrophobicContact CG-CG2 4.34Å; Q28-V32 WeakPolarHBondContact O-CG2 3.42Å; Q28-V32 PolarHBondContact O-N 3.49Å; Q29-V32 PolarHBondContact O-N 3.32Å; Q30-V32 VanDerWaalsContact C-N 3.32Å; Q30-V32 PolarHBondContact O-N 2.98Å; V32-T35 PolarHBondContact O-N 3.21Å; V32-F36 WeakPolarHBondContact O-CB 3.48Å; V32-F36 PolarHBondContact O-N 3.11Å
33	R	90.9	Very high	88.9	Confident	131 Å²	131	72.9 Å²	72.9	49%	0.494	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-45.4	179.1	-68.8	175.5	-153.8	152.6	4.3	111.8	Q29 Q30 F36 Q37	Q29-R33 WeakPolarHBondContact O-CG 3.25Å; Q29-R33 PolarHBondContact O-N 2.95Å; Q29-R33 VanDerWaalsContact O-N 3.09Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.16Å; Q30-R33 PolarHBondContact O-N 3.25Å; R33-F36 PolarHBondContact O-N 3.33Å; R33-Q37 VanDerWaalsContact O-CG 3.29Å; R33-Q37 WeakPolarHBondContact O-CG 3.49Å; R33-Q37 PolarHBondContact O-N 3.3Å
34	E	89.6	Confident	88.4	Confident	39 Å²	39	80.8 Å²	80.8	18%	0.182	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-48.8	177.3	-73.6	178	-168.9	0	0	111.2	Q30 F36 Q37 L38 S54	Q30-E34 HydrophobicContact CG-CG 4.49Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.43Å; Q30-E34 PolarHBondContact NE2-OE1 3.16Å; Q30-E34 WeakPolarHBondContact O-CG 3.47Å; Q30-E34 PolarHBondContact O-N 3.04Å; E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 PolarHBondContact O-N 2.75Å; E34-Q37 PolarHBondContact O-N 3.04Å; E34-Q37 VanDerWaalsContact O-N 3.16Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.97Å; E34-S54 PolarHBondContact OE1-OG 2.95Å; E34-S54 VanDerWaalsContact OE1-OG 3.12Å; E34-S54 WeakPolarHBondContact OE2-CB 3.4Å; E34-S54 PolarHBondContact OE2-N 3.46Å; E34-S54 PolarHBondContact OE2-OG 3.12Å
35	T	90.3	Very high	87.8	Confident	4 Å²	4	84.5 Å²	84.5	3%	0.025	41%	0.406	C	S	.	.	H	α-helix	trans	-59.9	-44.4	178.4	-57.2	0	0	0	0	111.1	M6 F8 L31 V32 Q37 L38 L39 L64 V75	M6-T35 HydrophobicContact CE-CG2 3.99Å; F8-T35 HydrophobicContact CE1-CG2 4Å; F8-T35 HydrophobicContact CZ-CG2 3.94Å; L31-T35 VanDerWaalsContact O-CB 3.22Å; L31-T35 WeakPolarHBondContact O-CB 3.47Å; L31-T35 PolarHBondContact O-N 3.45Å; L31-T35 PolarHBondContact O-OG1 3.27Å; V32-T35 PolarHBondContact O-N 3.21Å; T35-Q37 PolarHBondContact O-N 2.82Å; T35-L38 PolarHBondContact O-N 2.94Å; T35-L39 HydrophobicContact CG2-CD1 4.1Å; T35-L39 HydrophobicContact CG2-CG 4.46Å; T35-L39 WeakPolarHBondContact O-CG 3.11Å; T35-L39 PolarHBondContact O-N 2.92Å; T35-L64 HydrophobicContact CG2-CD1 4.2Å; T35-V75 HydrophobicContact CG2-CG1 3.94Å; T35-V75 HydrophobicContact CG2-CG2 4.3Å
36	F	91.7	Very high	87.4	Confident	39 Å²	39	80.7 Å²	80.7	17%	0.171	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-41.3	175.8	175.8	-105.8	0	0	0	112.4	F8 N10 G12 V32 R33 E34 L38 L39 S40	F8-F36 HydrophobicContact CD2-CB 4.43Å; F8-F36 AromaticContact CD2-CD2 3.83Å; F8-F36 HydrophobicContact CD2-CD2 3.83Å; F8-F36 HydrophobicContact CE2-CB 4.04Å; F8-F36 AromaticContact CE2-CD2 3.7Å; F8-F36 HydrophobicContact CE2-CD2 3.7Å; F8-F36 HydrophobicContact CE2-CG 4.37Å; F8-F36 HydrophobicContact CZ-CB 4.32Å; N10-F36 WeakPolarHBondContact O-CE2 3.42Å; N10-F36 VanDerWaalsContact O-CZ 3.31Å; N10-F36 WeakPolarHBondContact O-CZ 3.45Å; G12-F36 VanDerWaalsContact CA-CD2 3.43Å; G12-F36 VanDerWaalsContact CA-CG 3.49Å; V32-F36 WeakPolarHBondContact O-CB 3.48Å; V32-F36 PolarHBondContact O-N 3.11Å; R33-F36 PolarHBondContact O-N 3.33Å; E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 PolarHBondContact O-N 2.75Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 2.7Å; F36-L39 PolarHBondContact O-N 3.3Å; F36-S40 WeakPolarHBondContact O-CB 3.48Å; F36-S40 PolarHBondContact O-N 2.96Å; F36-S40 PolarHBondContact O-OG 3.07Å
37	Q	89.6	Confident	87.1	Confident	110 Å²	110	76.2 Å²	76.2	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-34.2	176.7	-74	177.3	15.3	0	0	112.8	R33 E34 T35 K41	R33-Q37 VanDerWaalsContact O-CG 3.29Å; R33-Q37 WeakPolarHBondContact O-CG 3.49Å; R33-Q37 PolarHBondContact O-N 3.3Å; E34-Q37 PolarHBondContact O-N 3.04Å; E34-Q37 VanDerWaalsContact O-N 3.16Å; T35-Q37 PolarHBondContact O-N 2.82Å; Q37-K41 WeakPolarHBondContact O-CG 3.25Å
38	L	87.4	Confident	86.9	Confident	71 Å²	71	75.9 Å²	75.9	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-42	174.7	-71.8	171.4	0	0	0	111.4	E34 T35 F36 R42	E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.97Å; T35-L38 PolarHBondContact O-N 2.94Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 2.7Å; L38-R42 WeakPolarHBondContact O-CD 3.24Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å
39	L	89	Confident	86.8	Confident	3 Å²	3	76.1 Å²	76.1	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-76.8	-42.9	-178.5	-67	-178.3	0	0	0	113.6	F8 T35 F36 K41 R42 L50 Y66 Y73 V75	F8-L39 HydrophobicContact CE2-CD1 4.14Å; F8-L39 HydrophobicContact CZ-CD1 3.62Å; T35-L39 HydrophobicContact CG2-CD1 4.1Å; T35-L39 HydrophobicContact CG2-CG 4.46Å; T35-L39 WeakPolarHBondContact O-CG 3.11Å; T35-L39 PolarHBondContact O-N 2.92Å; F36-L39 PolarHBondContact O-N 3.3Å; L39-K41 PolarHBondContact O-N 3.21Å; L39-K41 VanDerWaalsContact O-N 3.15Å; L39-R42 WeakPolarHBondContact O-CB 3.44Å; L39-R42 PolarHBondContact O-N 2.6Å; L39-R42 VanDerWaalsContact O-N 3.08Å; L39-L50 HydrophobicContact CD2-CD1 3.35Å; L39-L50 HydrophobicContact CG-CD1 4.31Å; L39-Y66 HydrophobicContact CD1-CD2 4.22Å; L39-Y66 HydrophobicContact CD1-CG 4.09Å; L39-Y66 HydrophobicContact CD2-CD1 3.3Å; L39-Y66 HydrophobicContact CD2-CD2 3.69Å; L39-Y66 HydrophobicContact CD2-CE1 3.33Å; L39-Y66 HydrophobicContact CD2-CE2 3.74Å; L39-Y66 HydrophobicContact CD2-CG 3.47Å; L39-Y66 VanDerWaalsContact CD2-CG 3.47Å; L39-Y66 HydrophobicContact CG-CG 4.47Å; L39-Y73 HydrophobicContact CB-CD1 4.39Å; L39-Y73 HydrophobicContact CB-CE1 4.35Å; L39-Y73 HydrophobicContact CD1-CD1 4Å; L39-Y73 HydrophobicContact CD1-CG 4.34Å; L39-V75 HydrophobicContact CD1-CG2 3.52Å
40	S	86.4	Confident	86.5	Confident	59 Å²	59	73 Å²	73	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-19	-175.4	54.5	0	0	0	0	114.8	F36	F36-S40 WeakPolarHBondContact O-CB 3.48Å; F36-S40 PolarHBondContact O-N 2.96Å; F36-S40 PolarHBondContact O-OG 3.07Å
41	K	85	Confident	85.9	Confident	170 Å²	170	76.3 Å²	76.3	74%	0.739	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.2	177.8	-67.3	178	-177.3	173.8	0	113.5	Q37 L39	Q37-K41 WeakPolarHBondContact O-CG 3.25Å; L39-K41 PolarHBondContact O-N 3.21Å; L39-K41 VanDerWaalsContact O-N 3.15Å
42	R	84.4	Confident	84.4	Confident	71 Å²	71	77 Å²	77	27%	0.268	39%	0.386	S	S	.	.			trans	-86.5	144.2	-174.7	-71.9	174.5	75.4	76.4	-6.8	111	L38 L39 V46 C47 L50 Y66	L38-R42 WeakPolarHBondContact O-CD 3.24Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å; L39-R42 WeakPolarHBondContact O-CB 3.44Å; L39-R42 PolarHBondContact O-N 2.6Å; L39-R42 VanDerWaalsContact O-N 3.08Å; R42-V46 HydrophobicContact CB-CG2 3.83Å; R42-V46 HydrophobicContact CG-CG2 4.23Å; R42-V46 VanDerWaalsContact NH2-CG2 3.32Å; R42-C47 PolarHBondContact NH2-O 2.84Å; R42-L50 VanDerWaalsContact CZ-CD2 3.48Å; R42-L50 VanDerWaalsContact NH1-CD2 3.28Å; R42-Y66 PolarHBondContact NE-OH 3.32Å
43	D	80	Confident	82.7	Confident	121 Å²	121	78.1 Å²	78.1	65%	0.647	40%	0.399	S	S	*	.			trans	-72.2	157.5	170.1	-63.8	-45.9	0	0	0	110.9	N45 V46	D43-N45 PolarHBondContact O-N 3.48Å; D43-V46 WeakPolarHBondContact O-CG2 3.32Å
44	E	77.7	Confident	81.3	Confident	194 Å²	194	75.6 Å²	75.6	91%	0.907	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.9	177.4	-63	178.9	173.1	0	0	112.8
45	N	77.8	Confident	79.8	Confident	163 Å²	163	74.8 Å²	74.8	87%	0.872	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.7	-175.5	-65.7	-33.8	0	0	0	114.4	D43	D43-N45 PolarHBondContact O-N 3.48Å
46	V	82.7	Confident	77.9	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.345	41%	0.406	S	S	.	.	S	Bend	trans	-89.9	160.2	177.4	-66.2	0	0	0	0	111.4	R42 D43	R42-V46 HydrophobicContact CB-CG2 3.83Å; R42-V46 HydrophobicContact CG-CG2 4.23Å; R42-V46 VanDerWaalsContact NH2-CG2 3.32Å; D43-V46 WeakPolarHBondContact O-CG2 3.32Å
47	C	83.1	Confident	75.7	Confident	74 Å²	74	78.1 Å²	78.1	50%	0.5	42%	0.424	S	S	.	.			trans	-61.5	154.6	-179.1	61.5	0	0	0	0	112.5	R42 F49	R42-C47 PolarHBondContact NH2-O 2.84Å; C47-F49 HydrophobicContact CB-CD2 4.43Å; C47-F49 PolarHBondContact O-N 3.24Å; C47-F49 PolarHBondContact SG-O 3.17Å; C47-F49 VanDerWaalsContact SG-O 3.37Å
48	N	85.6	Confident	73.6	Confident	61 Å²	61	79.1 Å²	79.1	33%	0.326	44%	0.44	S	S	.	.	S	Bend	trans	-79.3	7.8	178	-65.8	-39	0	0	0	113.7	I65 Y66 L88	N48-I65 WeakPolarHBondContact O-CA 3.4Å; N48-Y66 WeakPolarHBondContact CB-O 3.14Å; N48-Y66 WeakPolarHBondContact O-CD1 3.36Å; N48-Y66 PolarHBondContact O-N 2.92Å; N48-Y66 VanDerWaalsContact O-N 3.09Å; N48-L88 HydrophobicContact CB-CD1 4.3Å; N48-L88 HydrophobicContact CB-CD2 3.96Å
49	F	88.2	Confident	71.9	Confident	53 Å²	53	79.5 Å²	79.5	23%	0.232	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.3	-176	-47.4	-50.5	0	0	0	109.9	C47 I65 E84 L85 L88	C47-F49 HydrophobicContact CB-CD2 4.43Å; C47-F49 PolarHBondContact O-N 3.24Å; C47-F49 PolarHBondContact SG-O 3.17Å; C47-F49 VanDerWaalsContact SG-O 3.37Å; F49-I65 HydrophobicContact CD1-CG1 3.92Å; F49-I65 HydrophobicContact CD1-CG2 4.2Å; F49-I65 HydrophobicContact CE1-CG1 4.33Å; F49-I65 HydrophobicContact CE1-CG2 4.14Å; F49-E84 HydrophobicContact CD1-CB 3.79Å; F49-E84 HydrophobicContact CD1-CG 4.39Å; F49-E84 HydrophobicContact CE1-CB 3.47Å; F49-E84 VanDerWaalsContact CE1-CB 3.47Å; F49-E84 HydrophobicContact CG-CB 4.44Å; F49-E84 HydrophobicContact CZ-CB 3.9Å; F49-L85 HydrophobicContact CZ-CD2 4.01Å; F49-L88 HydrophobicContact CE1-CD1 3.37Å; F49-L88 HydrophobicContact CE1-CG 3.81Å; F49-L88 HydrophobicContact CZ-CD1 3.48Å; F49-L88 VanDerWaalsContact CZ-CD1 3.48Å; F49-L88 HydrophobicContact CZ-CG 4.38Å
50	L	85.7	Confident	70.8	Confident	19 Å²	19	80.9 Å²	80.9	10%	0.099	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.7	-176.4	-83.4	171.9	0	0	0	110.1	L39 R42 L64 Y66	L39-L50 HydrophobicContact CD2-CD1 3.35Å; L39-L50 HydrophobicContact CG-CD1 4.31Å; R42-L50 VanDerWaalsContact CZ-CD2 3.48Å; R42-L50 VanDerWaalsContact NH1-CD2 3.28Å; L50-L64 HydrophobicContact CB-CB 3.88Å; L50-L64 PolarHBondContact N-O 2.94Å; L50-L64 PolarHBondContact O-N 3.39Å; L50-Y66 HydrophobicContact CD1-CD1 4.15Å; L50-Y66 HydrophobicContact CD1-CE1 4.01Å; L50-Y66 HydrophobicContact CG-CE1 4.36Å
51	E	76.8	Confident	70.2	Confident	148 Å²	148	83.4 Å²	83.4	69%	0.692	48%	0.479	S	S	*	.			trans	-94.6	107.6	166.3	-62.6	-176.6	159.7	0	0	107.1	R63	E51-R63 IonicContact OE1-CZ 2.79Å; E51-R63 VanDerWaalsContact OE1-CZ 3.3Å; E51-R63 IonicContact OE1-NE 3.44Å; E51-R63 PolarHBondContact OE1-NE 2.92Å; E51-R63 IonicContact OE1-NH2 2.73Å; E51-R63 PolarHBondContact OE1-NH2 3.04Å
52	G	58.5	Low	70.1	Confident	24 Å²	24	76.4 Å²	76.4	25%	0.247	45%	0.45	C	S	.	.			trans	140.9	161	174.6	0	0	0	0	0	116.3
53	G	57	Low	70.3	Confident	30 Å²	30	77.1 Å²	77.1	31%	0.309	45%	0.453	S	S	.	.	S	Bend	trans	121.3	164.3	-175.9	0	0	0	0	0	111.8	F55 V56	G53-F55 PolarHBondContact O-N 3.2Å; G53-F55 VanDerWaalsContact O-N 3.08Å; G53-V56 CarbonylContact O-C 3.51Å; G53-V56 WeakPolarHBondContact O-CA 3.41Å; G53-V56 VanDerWaalsContact O-CB 3.27Å; G53-V56 WeakPolarHBondContact O-CB 3.05Å; G53-V56 PolarHBondContact O-N 3.05Å
54	S	61.9	Low	70.9	Confident	77 Å²	77	71.4 Å²	71.4	54%	0.538	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.4	177.1	-75.5	0	0	0	0	114	E34 V56	E34-S54 PolarHBondContact OE1-OG 2.95Å; E34-S54 VanDerWaalsContact OE1-OG 3.12Å; E34-S54 WeakPolarHBondContact OE2-CB 3.4Å; E34-S54 PolarHBondContact OE2-N 3.46Å; E34-S54 PolarHBondContact OE2-OG 3.12Å; S54-V56 PolarHBondContact O-N 3Å
55	F	56.4	Low	71.6	Confident	23 Å²	23	62.2 Å²	62.2	10%	0.101	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.5	169.4	-136.4	-67	0	0	0	111.5	K3 A4 F19 L31 G53 S57 N62 C77	K3-F55 HydrophobicContact CB-CE1 3.41Å; K3-F55 VanDerWaalsContact CB-CE1 3.41Å; K3-F55 HydrophobicContact CB-CZ 3.68Å; K3-F55 HydrophobicContact CG-CE1 4.11Å; A4-F55 HydrophobicContact CB-CE2 3.51Å; A4-F55 HydrophobicContact CB-CZ 3.59Å; F19-F55 HydrophobicContact CD1-CE2 4.1Å; F19-F55 HydrophobicContact CD1-CZ 4.41Å; F19-F55 AromaticContact CE1-CE2 3.82Å; F19-F55 HydrophobicContact CE1-CE2 3.82Å; L31-F55 HydrophobicContact CD1-CD2 3.69Å; L31-F55 HydrophobicContact CD1-CE2 3.87Å; L31-F55 HydrophobicContact CD2-CB 4Å; L31-F55 HydrophobicContact CD2-CD2 3.88Å; L31-F55 HydrophobicContact CD2-CG 4.32Å; L31-F55 VanDerWaalsContact CD2-N 3.34Å; L31-F55 HydrophobicContact CG-CD2 4.28Å; G53-F55 PolarHBondContact O-N 3.2Å; G53-F55 VanDerWaalsContact O-N 3.08Å; F55-S57 PolarHBondContact O-N 3.27Å; F55-N62 PolarHBondContact O-ND2 3.27Å; F55-C77 HydrophobicContact CD1-CB 4.44Å; F55-C77 WeakPolarHBondContact CD1-SG 3.35Å; F55-C77 HydrophobicContact CE1-CB 4.34Å; F55-C77 VanDerWaalsContact CE1-SG 3.57Å; F55-C77 HydrophobicContact CE2-CB 4.39Å; F55-C77 HydrophobicContact CZ-CB 4.32Å
56	V	50.2	Low	72.4	Confident	36 Å²	36	55.1 Å²	55.1	22%	0.218	34%	0.34	C	S	.	.	S	Bend	trans	-93.1	80.7	175.1	-168.3	0	0	0	0	107.6	G53 S54 S60 N62	G53-V56 CarbonylContact O-C 3.51Å; G53-V56 WeakPolarHBondContact O-CA 3.41Å; G53-V56 VanDerWaalsContact O-CB 3.27Å; G53-V56 WeakPolarHBondContact O-CB 3.05Å; G53-V56 PolarHBondContact O-N 3.05Å; S54-V56 PolarHBondContact O-N 3Å; V56-S60 WeakPolarHBondContact CA-OG 3.22Å; V56-S60 WeakPolarHBondContact CG1-O 3.06Å; V56-N62 HydrophobicContact CG2-CB 4.2Å; V56-N62 WeakPolarHBondContact CG2-O 3.39Å
57	S	46.8	Very low	73	Confident	77 Å²	77	56.5 Å²	56.5	54%	0.538	34%	0.339	S	S	.	.			trans	-51.9	141.2	161.7	-176.4	0	0	0	0	107.6	F55 G59 S60	F55-S57 PolarHBondContact O-N 3.27Å; S57-G59 PolarHBondContact O-N 3.05Å; S57-S60 PolarHBondContact N-OG 2.84Å; S57-S60 PolarHBondContact O-N 3.37Å; S57-S60 PolarHBondContact O-OG 3.48Å
58	P	45.4	Very low	73.4	Confident	131 Å²	131	56.7 Å²	56.7	85%	0.851	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	114.9	177	17.6	-29.2	0	0	0	109.8
59	G	52.4	Low	73.7	Confident	78 Å²	78	56.7 Å²	56.7	80%	0.804	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-0.4	-175.5	0	0	0	0	0	116.6	S57	S57-G59 PolarHBondContact O-N 3.05Å
60	S	64.9	Low	73.8	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	35%	0.353	C	S	.	.			trans	-85.7	127.4	169	62.7	0	0	0	0	110.1	V56 S57 N62	V56-S60 WeakPolarHBondContact CA-OG 3.22Å; V56-S60 WeakPolarHBondContact CG1-O 3.06Å; S57-S60 PolarHBondContact N-OG 2.84Å; S57-S60 PolarHBondContact O-N 3.37Å; S57-S60 PolarHBondContact O-OG 3.48Å; S60-N62 PolarHBondContact O-N 3.37Å
61	D	72.9	Confident	74	Confident	111 Å²	111	60.5 Å²	60.5	59%	0.594	37%	0.366	S	S	*	.			trans	-76.5	41.6	176.4	-58.9	-35.3	0	0	0	112.4	D79 S80	D61-D79 CarbonylContact O-C 3.59Å; D61-D79 WeakPolarHBondContact O-CA 3.27Å; D61-S80 WeakPolarHBondContact CB-OG 3.35Å; D61-S80 PolarHBondContact O-N 3.01Å; D61-S80 VanDerWaalsContact O-N 3.13Å
62	N	83.2	Confident	74.9	Confident	23 Å²	23	54 Å²	54	12%	0.123	34%	0.336	C	S	.	.			trans	-87.5	133.7	-179.3	-70.6	-20.7	0	0	0	109.9	F55 V56 S60 S78	F55-N62 PolarHBondContact O-ND2 3.27Å; V56-N62 HydrophobicContact CG2-CB 4.2Å; V56-N62 WeakPolarHBondContact CG2-O 3.39Å; S60-N62 PolarHBondContact O-N 3.37Å; N62-S78 CarbonylContact C-O 3.48Å; N62-S78 WeakPolarHBondContact CA-O 3.24Å
63	R	88.9	Confident	76.6	Confident	87 Å²	87	54.7 Å²	54.7	33%	0.328	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	178.9	-60.8	-164.9	171.3	175.6	-7.7	110.2	E51 I65 C77 S78 E84	E51-R63 IonicContact OE1-CZ 2.79Å; E51-R63 VanDerWaalsContact OE1-CZ 3.3Å; E51-R63 IonicContact OE1-NE 3.44Å; E51-R63 PolarHBondContact OE1-NE 2.92Å; E51-R63 IonicContact OE1-NH2 2.73Å; E51-R63 PolarHBondContact OE1-NH2 3.04Å; R63-I65 HydrophobicContact CB-CD1 4.15Å; R63-C77 WeakPolarHBondContact O-CA 3.16Å; R63-S78 PolarHBondContact N-O 3.33Å; R63-S78 PolarHBondContact O-N 2.75Å; R63-E84 WeakPolarHBondContact CD-OE1 3.5Å; R63-E84 IonicContact CZ-OE1 3.3Å; R63-E84 IonicContact NE-OE1 3.32Å; R63-E84 IonicContact NH1-OE1 3.24Å; R63-E84 PolarHBondContact NH1-OE1 2.65Å; R63-E84 IonicContact NH1-OE2 2.77Å; R63-E84 PolarHBondContact NH1-OE2 3.47Å
64	L	91.9	Very high	78.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120	171.6	-65.3	175.1	0	0	0	108.5	T35 L50 V75 C77	T35-L64 HydrophobicContact CG2-CD1 4.2Å; L50-L64 HydrophobicContact CB-CB 3.88Å; L50-L64 PolarHBondContact N-O 2.94Å; L50-L64 PolarHBondContact O-N 3.39Å; L64-V75 HydrophobicContact CB-CG1 4.5Å; L64-V75 HydrophobicContact CD2-CG1 4.19Å; L64-C77 HydrophobicContact CD2-CB 3.73Å
65	I	93.9	Very high	80.1	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.7	175.4	-61.3	92.1	0	0	0	106.7	N48 F49 R63 V75 F76 S78 E84 I87 L88 I91	N48-I65 WeakPolarHBondContact O-CA 3.4Å; F49-I65 HydrophobicContact CD1-CG1 3.92Å; F49-I65 HydrophobicContact CD1-CG2 4.2Å; F49-I65 HydrophobicContact CE1-CG1 4.33Å; F49-I65 HydrophobicContact CE1-CG2 4.14Å; R63-I65 HydrophobicContact CB-CD1 4.15Å; I65-V75 WeakPolarHBondContact O-CA 3.35Å; I65-F76 PolarHBondContact N-O 3.35Å; I65-F76 PolarHBondContact O-N 2.76Å; I65-S78 VanDerWaalsContact CD1-OG 3.28Å; I65-S78 WeakPolarHBondContact CD1-OG 3.28Å; I65-E84 HydrophobicContact CG1-CB 4.15Å; I65-E84 HydrophobicContact CG1-CG 4.47Å; I65-I87 HydrophobicContact CB-CB 4.3Å; I65-I87 HydrophobicContact CB-CG2 3.77Å; I65-I87 HydrophobicContact CD1-CB 4.33Å; I65-I87 HydrophobicContact CD1-CG1 4.45Å; I65-I87 HydrophobicContact CD1-CG2 4.21Å; I65-I87 HydrophobicContact CG1-CB 4.3Å; I65-I87 HydrophobicContact CG1-CG2 4.22Å; I65-I87 HydrophobicContact CG2-CB 4.22Å; I65-I87 HydrophobicContact CG2-CG2 3.88Å; I65-L88 HydrophobicContact CG2-CB 4.43Å; I65-L88 HydrophobicContact CG2-CD2 3.42Å; I65-L88 VanDerWaalsContact CG2-CD2 3.42Å; I65-L88 HydrophobicContact CG2-CG 3.49Å; I65-L88 VanDerWaalsContact CG2-CG 3.49Å; I65-I91 HydrophobicContact CG2-CD1 4.17Å
66	Y	95	Very high	82	Confident	15 Å²	15	49 Å²	49	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.8	-177.8	77.8	-81.3	0	0	0	113.6	L39 R42 N48 L50 Y73 F74	L39-Y66 HydrophobicContact CD1-CD2 4.22Å; L39-Y66 HydrophobicContact CD1-CG 4.09Å; L39-Y66 HydrophobicContact CD2-CD1 3.3Å; L39-Y66 HydrophobicContact CD2-CD2 3.69Å; L39-Y66 HydrophobicContact CD2-CE1 3.33Å; L39-Y66 HydrophobicContact CD2-CE2 3.74Å; L39-Y66 HydrophobicContact CD2-CG 3.47Å; L39-Y66 VanDerWaalsContact CD2-CG 3.47Å; L39-Y66 HydrophobicContact CG-CG 4.47Å; R42-Y66 PolarHBondContact NE-OH 3.32Å; N48-Y66 WeakPolarHBondContact CB-O 3.14Å; N48-Y66 WeakPolarHBondContact O-CD1 3.36Å; N48-Y66 PolarHBondContact O-N 2.92Å; N48-Y66 VanDerWaalsContact O-N 3.09Å; L50-Y66 HydrophobicContact CD1-CD1 4.15Å; L50-Y66 HydrophobicContact CD1-CE1 4.01Å; L50-Y66 HydrophobicContact CG-CE1 4.36Å; Y66-Y73 HydrophobicContact CD2-CD1 4.13Å; Y66-Y73 HydrophobicContact CE2-CD1 4.49Å; Y66-Y73 HydrophobicContact CE2-CE1 4.49Å; Y66-F74 CarbonylContact C-O 3.59Å; Y66-F74 WeakPolarHBondContact CA-O 3.24Å; Y66-F74 WeakPolarHBondContact CB-O 3.5Å
67	R	94.2	Very high	84	Confident	85 Å²	85	47.2 Å²	47.2	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.6	168.3	-159.2	157.6	-174.7	-176.4	6.4	110.2	Y69 F74 I91 Q92	R67-Y69 HydrophobicContact CB-CD2 4.22Å; R67-Y69 HydrophobicContact CB-CE2 3.64Å; R67-Y69 VanDerWaalsContact CD-OH 3.24Å; R67-Y69 WeakPolarHBondContact CD-OH 3.33Å; R67-Y69 HydrophobicContact CG-CD2 4.14Å; R67-Y69 HydrophobicContact CG-CE2 3.49Å; R67-Y69 VanDerWaalsContact CG-CE2 3.49Å; R67-Y69 PolarHBondContact NE-OH 3.46Å; R67-Y69 PolarHBondContact NH1-OH 3.21Å; R67-F74 PolarHBondContact N-O 3.36Å; R67-F74 PolarHBondContact O-N 2.96Å; R67-I91 HydrophobicContact CB-CG2 3.96Å; R67-Q92 VanDerWaalsContact NH1-OE1 3.11Å
68	H	92	Very high	86.1	Confident	78 Å²	78	43.6 Å²	43.6	36%	0.361	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.7	178.3	-173.5	-121.5	0	0	0	109.8	N10 A70 L72 Y73	N10-H68 PolarHBondContact OD1-NE2 3.39Å; H68-A70 PolarHBondContact CE1-O 3.17Å; H68-A70 PolarHBondContact NE2-O 3.43Å; H68-L72 WeakPolarHBondContact CA-O 3.4Å; H68-L72 PolarHBondContact CD2-O 2.91Å; H68-L72 VanDerWaalsContact CD2-O 3.25Å; H68-Y73 HydrophobicContact CB-CD1 4.12Å; H68-Y73 HydrophobicContact CB-CE1 3.96Å; H68-Y73 AromaticContact CD2-CD1 3.74Å; H68-Y73 AromaticContact CD2-CD2 3.82Å; H68-Y73 AromaticContact CD2-CE1 3.5Å; H68-Y73 AromaticContact CD2-CE2 3.58Å; H68-Y73 AromaticContact CD2-CG 3.89Å; H68-Y73 AromaticContact CD2-CZ 3.41Å; H68-Y73 VanDerWaalsContact CD2-CZ 3.41Å; H68-Y73 AromaticContact CG-CE1 3.88Å; H68-Y73 AromaticContact NE2-CE2 3.78Å; H68-Y73 AromaticContact NE2-CZ 3.76Å
69	Y	92.1	Very high	88.2	Confident	62 Å²	62	38.5 Å²	38.5	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	110.2	176.9	-69	-87.6	0	0	0	108.6	R67 T71 L72 F74 I91 V95	R67-Y69 HydrophobicContact CB-CD2 4.22Å; R67-Y69 HydrophobicContact CB-CE2 3.64Å; R67-Y69 VanDerWaalsContact CD-OH 3.24Å; R67-Y69 WeakPolarHBondContact CD-OH 3.33Å; R67-Y69 HydrophobicContact CG-CD2 4.14Å; R67-Y69 HydrophobicContact CG-CE2 3.49Å; R67-Y69 VanDerWaalsContact CG-CE2 3.49Å; R67-Y69 PolarHBondContact NE-OH 3.46Å; R67-Y69 PolarHBondContact NH1-OH 3.21Å; Y69-T71 PolarHBondContact O-N 3.01Å; Y69-L72 PolarHBondContact N-O 3.15Å; Y69-L72 PolarHBondContact O-N 3.18Å; Y69-F74 AromaticContact CD2-CD2 3.69Å; Y69-F74 HydrophobicContact CD2-CD2 3.69Å; Y69-F74 HydrophobicContact CD2-CE2 4.1Å; Y69-F74 HydrophobicContact CD2-CG 4.43Å; Y69-F74 HydrophobicContact CE2-CD2 4.47Å; Y69-F74 HydrophobicContact CG-CD2 4.49Å; Y69-I91 HydrophobicContact CE2-CG2 3.87Å; Y69-V95 HydrophobicContact CD1-CG1 4.08Å; Y69-V95 HydrophobicContact CD2-CG1 4.49Å; Y69-V95 HydrophobicContact CD2-CG2 3.93Å; Y69-V95 HydrophobicContact CE1-CG1 4.06Å; Y69-V95 HydrophobicContact CE2-CB 4.37Å; Y69-V95 HydrophobicContact CE2-CG1 4.46Å; Y69-V95 HydrophobicContact CE2-CG2 3.73Å; Y69-V95 HydrophobicContact CG-CG1 4.28Å; Y69-V95 HydrophobicContact CG-CG2 4.49Å
70	A	89.4	Confident	89.9	Confident	90 Å²	90	38.7 Å²	38.7	74%	0.744	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	-99.2	-178.1	0	0	0	0	0	113.7	H68	H68-A70 PolarHBondContact CE1-O 3.17Å; H68-A70 PolarHBondContact NE2-O 3.43Å
71	T	90.4	Very high	91.1	Very high	62 Å²	62	41.4 Å²	41.4	38%	0.38	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1.2	-179.3	61.7	0	0	0	0	113.9	N9 N10 Y69 E107	N9-T71 CarbonylContact C-O 3.54Å; N9-T71 WeakPolarHBondContact CA-O 3.46Å; N10-T71 PolarHBondContact N-O 3.37Å; N10-T71 PolarHBondContact OD1-O 2.96Å; Y69-T71 PolarHBondContact O-N 3.01Å; T71-E107 PolarHBondContact OG1-OE2 2.87Å
72	L	95	Very high	92	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.063	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.4	-170	-63.9	178.5	0	0	0	112.6	V7 N9 R15 H68 Y69 F74 E107 L110	V7-L72 HydrophobicContact CG1-CB 4.34Å; V7-L72 HydrophobicContact CG1-CD1 4.35Å; V7-L72 HydrophobicContact CG1-CD2 4.44Å; N9-L72 HydrophobicContact CB-CD2 3.95Å; R15-L72 HydrophobicContact CG-CD2 3.83Å; H68-L72 WeakPolarHBondContact CA-O 3.4Å; H68-L72 PolarHBondContact CD2-O 2.91Å; H68-L72 VanDerWaalsContact CD2-O 3.25Å; Y69-L72 PolarHBondContact N-O 3.15Å; Y69-L72 PolarHBondContact O-N 3.18Å; L72-F74 HydrophobicContact CB-CD2 4.26Å; L72-F74 HydrophobicContact CB-CE2 3.73Å; L72-F74 HydrophobicContact CD1-CE2 4.17Å; L72-F74 HydrophobicContact CD1-CZ 4.24Å; L72-E107 HydrophobicContact CD1-CB 4.29Å; L72-E107 HydrophobicContact CD2-CB 4.34Å; L72-E107 HydrophobicContact CD2-CG 3.96Å; L72-E107 HydrophobicContact CG-CB 4.4Å; L72-L110 HydrophobicContact CD1-CD2 3.78Å
73	Y	95.1	Very high	92.4	Very high	38 Å²	38	41.3 Å²	41.3	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.4	166.1	-68.7	-88.4	0	0	0	108.8	V7 F8 N10 L39 Y66 H68	V7-Y73 VanDerWaalsContact CA-O 3.29Å; V7-Y73 WeakPolarHBondContact CA-O 3.5Å; F8-Y73 HydrophobicContact CD2-CD2 4.11Å; F8-Y73 HydrophobicContact CD2-CG 4.35Å; F8-Y73 AromaticContact CE2-CD2 3.88Å; F8-Y73 HydrophobicContact CE2-CD2 3.88Å; F8-Y73 AromaticContact CE2-CG 3.83Å; F8-Y73 HydrophobicContact CE2-CG 3.83Å; F8-Y73 PolarHBondContact N-O 3.27Å; F8-Y73 VanDerWaalsContact N-O 3.14Å; F8-Y73 PolarHBondContact O-N 3.46Å; N10-Y73 WeakPolarHBondContact OD1-CE2 3.1Å; L39-Y73 HydrophobicContact CB-CD1 4.39Å; L39-Y73 HydrophobicContact CB-CE1 4.35Å; L39-Y73 HydrophobicContact CD1-CD1 4Å; L39-Y73 HydrophobicContact CD1-CG 4.34Å; Y66-Y73 HydrophobicContact CD2-CD1 4.13Å; Y66-Y73 HydrophobicContact CE2-CD1 4.49Å; Y66-Y73 HydrophobicContact CE2-CE1 4.49Å; H68-Y73 HydrophobicContact CB-CD1 4.12Å; H68-Y73 HydrophobicContact CB-CE1 3.96Å; H68-Y73 AromaticContact CD2-CD1 3.74Å; H68-Y73 AromaticContact CD2-CD2 3.82Å; H68-Y73 AromaticContact CD2-CE1 3.5Å; H68-Y73 AromaticContact CD2-CE2 3.58Å; H68-Y73 AromaticContact CD2-CG 3.89Å; H68-Y73 AromaticContact CD2-CZ 3.41Å; H68-Y73 VanDerWaalsContact CD2-CZ 3.41Å; H68-Y73 AromaticContact CG-CE1 3.88Å; H68-Y73 AromaticContact NE2-CE2 3.78Å; H68-Y73 AromaticContact NE2-CZ 3.76Å
74	F	97.1	Very high	92.6	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.4	170	-70.3	-103.7	0	0	0	107.4	V7 Y66 R67 Y69 L72 I91 F94 V95 L98 L110	V7-F74 HydrophobicContact CG1-CD1 4.16Å; V7-F74 HydrophobicContact CG1-CD2 4.4Å; V7-F74 HydrophobicContact CG1-CE1 3.99Å; V7-F74 HydrophobicContact CG1-CE2 4.24Å; V7-F74 HydrophobicContact CG1-CG 4.36Å; V7-F74 HydrophobicContact CG1-CZ 4.03Å; V7-F74 HydrophobicContact CG2-CD1 3.56Å; V7-F74 HydrophobicContact CG2-CE1 3.81Å; V7-F74 HydrophobicContact CG2-CG 4.23Å; Y66-F74 CarbonylContact C-O 3.59Å; Y66-F74 WeakPolarHBondContact CA-O 3.24Å; Y66-F74 WeakPolarHBondContact CB-O 3.5Å; R67-F74 PolarHBondContact N-O 3.36Å; R67-F74 PolarHBondContact O-N 2.96Å; Y69-F74 AromaticContact CD2-CD2 3.69Å; Y69-F74 HydrophobicContact CD2-CD2 3.69Å; Y69-F74 HydrophobicContact CD2-CE2 4.1Å; Y69-F74 HydrophobicContact CD2-CG 4.43Å; Y69-F74 HydrophobicContact CE2-CD2 4.47Å; Y69-F74 HydrophobicContact CG-CD2 4.49Å; L72-F74 HydrophobicContact CB-CD2 4.26Å; L72-F74 HydrophobicContact CB-CE2 3.73Å; L72-F74 HydrophobicContact CD1-CE2 4.17Å; L72-F74 HydrophobicContact CD1-CZ 4.24Å; F74-I91 HydrophobicContact CB-CG2 3.78Å; F74-I91 HydrophobicContact CG-CG2 4.43Å; F74-F94 HydrophobicContact CD1-CD1 4Å; F74-F94 HydrophobicContact CD1-CE1 4.07Å; F74-F94 HydrophobicContact CE1-CD1 4.08Å; F74-F94 AromaticContact CE1-CE1 3.93Å; F74-F94 HydrophobicContact CE1-CE1 3.93Å; F74-V95 HydrophobicContact CD1-CG2 3.86Å; F74-V95 HydrophobicContact CD2-CG2 4.12Å; F74-V95 HydrophobicContact CE1-CG2 3.69Å; F74-V95 HydrophobicContact CE2-CG2 3.95Å; F74-V95 HydrophobicContact CG-CG2 4.07Å; F74-V95 HydrophobicContact CZ-CG2 3.74Å; F74-L98 HydrophobicContact CE1-CD1 4.15Å; F74-L110 HydrophobicContact CZ-CD2 4.48Å
75	V	95.3	Very high	92.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125	-173.4	-168.9	0	0	0	0	109.7	M6 F8 T35 L39 L64 I65	M6-V75 HydrophobicContact CB-CB 4.46Å; M6-V75 HydrophobicContact CE-CB 4.45Å; M6-V75 HydrophobicContact CE-CG1 4.19Å; M6-V75 PolarHBondContact N-O 2.86Å; M6-V75 PolarHBondContact O-N 2.81Å; F8-V75 HydrophobicContact CE1-CB 4.46Å; F8-V75 HydrophobicContact CE1-CG2 3.65Å; F8-V75 HydrophobicContact CZ-CG2 3.69Å; T35-V75 HydrophobicContact CG2-CG1 3.94Å; T35-V75 HydrophobicContact CG2-CG2 4.3Å; L39-V75 HydrophobicContact CD1-CG2 3.52Å; L64-V75 HydrophobicContact CB-CG1 4.5Å; L64-V75 HydrophobicContact CD2-CG1 4.19Å; I65-V75 WeakPolarHBondContact O-CA 3.35Å
76	F	95.7	Very high	92.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.9	175.2	-80	-127.7	0	0	0	108	I2 I5 I65 I87 L90 I91 F94 V125	I2-F76 HydrophobicContact CD1-CD1 4.23Å; I2-F76 HydrophobicContact CD1-CE1 4.45Å; I2-F76 HydrophobicContact CG2-CD1 4.27Å; I5-F76 HydrophobicContact CB-CE2 4.47Å; I5-F76 HydrophobicContact CB-CZ 4.49Å; I5-F76 HydrophobicContact CD1-CD1 4Å; I5-F76 HydrophobicContact CD1-CE1 3.45Å; I5-F76 VanDerWaalsContact CD1-CE1 3.45Å; I5-F76 HydrophobicContact CD1-CZ 3.77Å; I5-F76 HydrophobicContact CG1-CD1 3.79Å; I5-F76 HydrophobicContact CG1-CD2 4.4Å; I5-F76 HydrophobicContact CG1-CE1 3.72Å; I5-F76 HydrophobicContact CG1-CE2 4.34Å; I5-F76 HydrophobicContact CG1-CG 4.14Å; I5-F76 HydrophobicContact CG1-CZ 4Å; I5-F76 HydrophobicContact CG2-CD2 3.95Å; I5-F76 HydrophobicContact CG2-CE1 4.32Å; I5-F76 HydrophobicContact CG2-CE2 3.49Å; I5-F76 VanDerWaalsContact CG2-CE2 3.49Å; I5-F76 HydrophobicContact CG2-CZ 3.7Å; I65-F76 PolarHBondContact N-O 3.35Å; I65-F76 PolarHBondContact O-N 2.76Å; F76-I87 HydrophobicContact CB-CG2 3.37Å; F76-I87 HydrophobicContact CD1-CG2 3.99Å; F76-I87 HydrophobicContact CG-CG2 3.89Å; F76-L90 HydrophobicContact CD1-CD2 4.39Å; F76-L90 HydrophobicContact CE1-CD2 3.91Å; F76-L90 HydrophobicContact CE1-CG 4.4Å; F76-I91 HydrophobicContact CB-CD1 4.41Å; F76-I91 HydrophobicContact CD2-CD1 3.84Å; F76-I91 HydrophobicContact CD2-CG1 3.42Å; F76-I91 VanDerWaalsContact CD2-CG1 3.42Å; F76-I91 HydrophobicContact CE2-CD1 4.45Å; F76-I91 HydrophobicContact CE2-CG1 3.57Å; F76-I91 HydrophobicContact CG-CD1 4.28Å; F76-I91 HydrophobicContact CG-CG1 4Å; F76-I91 HydrophobicContact CZ-CG1 4.23Å; F76-F94 HydrophobicContact CZ-CD1 4.47Å; F76-V125 HydrophobicContact CE1-CG2 4.48Å
77	C	92.8	Very high	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.8	170.8	-171.6	0	0	0	0	108.5	I2 K3 A4 F55 R63 L64	I2-C77 CarbonylContact C-O 3.49Å; K3-C77 PolarHBondContact N-O 3.07Å; A4-C77 HydrophobicContact CB-CB 4.26Å; A4-C77 PolarHBondContact N-O 2.96Å; A4-C77 PolarHBondContact O-N 3.44Å; F55-C77 HydrophobicContact CD1-CB 4.44Å; F55-C77 WeakPolarHBondContact CD1-SG 3.35Å; F55-C77 HydrophobicContact CE1-CB 4.34Å; F55-C77 VanDerWaalsContact CE1-SG 3.57Å; F55-C77 HydrophobicContact CE2-CB 4.39Å; F55-C77 HydrophobicContact CZ-CB 4.32Å; R63-C77 WeakPolarHBondContact O-CA 3.16Å; L64-C77 HydrophobicContact CD2-CB 3.73Å
78	S	91.5	Very high	92.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.6	176.5	63.7	0	0	0	0	111.3	M1 N62 R63 I65	M1-S78 WeakPolarHBondContact O-CA 3.25Å; N62-S78 CarbonylContact C-O 3.48Å; N62-S78 WeakPolarHBondContact CA-O 3.24Å; R63-S78 PolarHBondContact N-O 3.33Å; R63-S78 PolarHBondContact O-N 2.75Å; I65-S78 VanDerWaalsContact CD1-OG 3.28Å; I65-S78 WeakPolarHBondContact CD1-OG 3.28Å
79	D	89	Confident	93	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.123	27%	0.269	C	S	.	.			trans	-80.9	177	168.3	63.8	46.6	0	0	0	111.7	M1 K3 D61 S81 E82	M1-D79 PolarHBondContact N-OD1 3.46Å; M1-D79 PolarHBondContact N-OD2 3.29Å; M1-D79 PolarHBondContact O-N 3.34Å; K3-D79 WeakPolarHBondContact CE-OD2 3.1Å; K3-D79 IonicContact NZ-OD2 2.7Å; D61-D79 CarbonylContact O-C 3.59Å; D61-D79 WeakPolarHBondContact O-CA 3.27Å; D79-S81 PolarHBondContact O-N 3.02Å; D79-S81 WeakPolarHBondContact OD1-CA 3.43Å; D79-S81 WeakPolarHBondContact OD1-CB 3.48Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 3.23Å; D79-E82 PolarHBondContact O-N 2.94Å
80	S	87.7	Confident	93.3	Very high	82 Å²	82	41.5 Å²	41.5	57%	0.573	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-8.4	179.2	51.6	0	0	0	0	115.6	D61 E82	D61-S80 WeakPolarHBondContact CB-OG 3.35Å; D61-S80 PolarHBondContact O-N 3.01Å; D61-S80 VanDerWaalsContact O-N 3.13Å; S80-E82 VanDerWaalsContact C-N 3.33Å
81	S	89.5	Confident	93.7	Very high	90 Å²	90	37.2 Å²	37.2	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.6	176.2	-34.3	0	0	0	0	112.4	D79	D79-S81 PolarHBondContact O-N 3.02Å; D79-S81 WeakPolarHBondContact OD1-CA 3.43Å; D79-S81 WeakPolarHBondContact OD1-CB 3.48Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 3.23Å
82	E	91.5	Very high	94	Very high	57 Å²	57	37.3 Å²	37.3	27%	0.266	22%	0.219	S	C	.	.	S	Bend	trans	-95.5	146.5	176.4	-56.7	-53.6	144	0	0	111.6	M1 I2 D79 S80 I87	M1-E82 WeakPolarHBondContact CA-OE1 3.09Å; M1-E82 PolarHBondContact N-OE1 3.45Å; I2-E82 HydrophobicContact CG1-CG 4.43Å; D79-E82 PolarHBondContact O-N 2.94Å; S80-E82 VanDerWaalsContact C-N 3.33Å; E82-I87 HydrophobicContact CB-CD1 4Å; E82-I87 HydrophobicContact CB-CG1 4.04Å; E82-I87 HydrophobicContact CG-CD1 4.19Å
83	S	92.8	Very high	94.1	Very high	76 Å²	76	37.4 Å²	37.4	53%	0.531	22%	0.22	S	C	.	.			trans	-77.4	126.2	170.6	175.5	0	0	0	0	110.5	L85 G86 I87	S83-L85 PolarHBondContact O-N 2.72Å; S83-G86 CarbonylContact O-C 3.6Å; S83-G86 WeakPolarHBondContact O-CA 3.44Å; S83-G86 PolarHBondContact O-N 2.83Å; S83-G86 PolarHBondContact OG-N 2.94Å; S83-I87 WeakPolarHBondContact O-CG1 3.42Å; S83-I87 PolarHBondContact O-N 3.05Å
84	E	91.8	Very high	94.2	Very high	47 Å²	47	35.7 Å²	35.7	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-37.8	177.8	-54.6	173.8	127.5	0	0	112.6	F49 R63 I65 I87 L88	F49-E84 HydrophobicContact CD1-CB 3.79Å; F49-E84 HydrophobicContact CD1-CG 4.39Å; F49-E84 HydrophobicContact CE1-CB 3.47Å; F49-E84 VanDerWaalsContact CE1-CB 3.47Å; F49-E84 HydrophobicContact CG-CB 4.44Å; F49-E84 HydrophobicContact CZ-CB 3.9Å; R63-E84 WeakPolarHBondContact CD-OE1 3.5Å; R63-E84 IonicContact CZ-OE1 3.3Å; R63-E84 IonicContact NE-OE1 3.32Å; R63-E84 IonicContact NH1-OE1 3.24Å; R63-E84 PolarHBondContact NH1-OE1 2.65Å; R63-E84 IonicContact NH1-OE2 2.77Å; R63-E84 PolarHBondContact NH1-OE2 3.47Å; I65-E84 HydrophobicContact CG1-CB 4.15Å; I65-E84 HydrophobicContact CG1-CG 4.47Å; E84-I87 PolarHBondContact O-N 2.83Å; E84-L88 PolarHBondContact O-N 2.89Å
85	L	94.1	Very high	94.2	Very high	123 Å²	123	36.2 Å²	36.2	64%	0.644	22%	0.218	S	C	*	.	H	α-helix	trans	-69	-35.9	175.2	-67.9	174.5	0	0	0	111.5	F49 S83 I87 L88 D89	F49-L85 HydrophobicContact CZ-CD2 4.01Å; S83-L85 PolarHBondContact O-N 2.72Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-L88 HydrophobicContact CD2-CD1 4.37Å; L85-L88 PolarHBondContact O-N 2.95Å; L85-D89 PolarHBondContact O-N 3.49Å
86	G	95.7	Very high	94.2	Very high	39 Å²	39	39.6 Å²	39.6	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-39.2	173.6	0	0	0	0	0	112	S83 D89 L90	S83-G86 CarbonylContact O-C 3.6Å; S83-G86 WeakPolarHBondContact O-CA 3.44Å; S83-G86 PolarHBondContact O-N 2.83Å; S83-G86 PolarHBondContact OG-N 2.94Å; G86-D89 PolarHBondContact O-N 3.01Å; G86-L90 WeakPolarHBondContact O-CB 3.45Å; G86-L90 PolarHBondContact O-N 2.95Å
87	I	96	Very high	94.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-38.5	174.5	-60.3	-56	0	0	0	111.6	I2 I65 F76 E82 S83 E84 L85 D89 L90 I91	I2-I87 HydrophobicContact CD1-CD1 3.88Å; I2-I87 HydrophobicContact CG1-CD1 3.81Å; I65-I87 HydrophobicContact CB-CB 4.3Å; I65-I87 HydrophobicContact CB-CG2 3.77Å; I65-I87 HydrophobicContact CD1-CB 4.33Å; I65-I87 HydrophobicContact CD1-CG1 4.45Å; I65-I87 HydrophobicContact CD1-CG2 4.21Å; I65-I87 HydrophobicContact CG1-CB 4.3Å; I65-I87 HydrophobicContact CG1-CG2 4.22Å; I65-I87 HydrophobicContact CG2-CB 4.22Å; I65-I87 HydrophobicContact CG2-CG2 3.88Å; F76-I87 HydrophobicContact CB-CG2 3.37Å; F76-I87 HydrophobicContact CD1-CG2 3.99Å; F76-I87 HydrophobicContact CG-CG2 3.89Å; E82-I87 HydrophobicContact CB-CD1 4Å; E82-I87 HydrophobicContact CB-CG1 4.04Å; E82-I87 HydrophobicContact CG-CD1 4.19Å; S83-I87 WeakPolarHBondContact O-CG1 3.42Å; S83-I87 PolarHBondContact O-N 3.05Å; E84-I87 PolarHBondContact O-N 2.83Å; L85-I87 VanDerWaalsContact C-N 3.34Å; I87-D89 VanDerWaalsContact C-N 3.32Å; I87-D89 PolarHBondContact O-N 2.89Å; I87-L90 HydrophobicContact CD1-CD2 4.41Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.92Å; I87-I91 HydrophobicContact CG2-CD1 4.44Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.28Å
88	L	95.2	Very high	94.5	Very high	21 Å²	21	39.7 Å²	39.7	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-40.1	173.6	-80.3	178.2	0	0	0	112.7	N48 F49 I65 E84 L85 I91 Q92	N48-L88 HydrophobicContact CB-CD1 4.3Å; N48-L88 HydrophobicContact CB-CD2 3.96Å; F49-L88 HydrophobicContact CE1-CD1 3.37Å; F49-L88 HydrophobicContact CE1-CG 3.81Å; F49-L88 HydrophobicContact CZ-CD1 3.48Å; F49-L88 VanDerWaalsContact CZ-CD1 3.48Å; F49-L88 HydrophobicContact CZ-CG 4.38Å; I65-L88 HydrophobicContact CG2-CB 4.43Å; I65-L88 HydrophobicContact CG2-CD2 3.42Å; I65-L88 VanDerWaalsContact CG2-CD2 3.42Å; I65-L88 HydrophobicContact CG2-CG 3.49Å; I65-L88 VanDerWaalsContact CG2-CG 3.49Å; E84-L88 PolarHBondContact O-N 2.89Å; L85-L88 HydrophobicContact CD2-CD1 4.37Å; L85-L88 PolarHBondContact O-N 2.95Å; L88-I91 PolarHBondContact O-N 2.81Å; L88-Q92 PolarHBondContact O-N 3.09Å
89	D	96.3	Very high	94.7	Very high	94 Å²	94	42.9 Å²	42.9	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-39.8	175.7	-166.1	45.9	0	0	0	111.1	L85 G86 I87 I91 Q92 V93	L85-D89 PolarHBondContact O-N 3.49Å; G86-D89 PolarHBondContact O-N 3.01Å; I87-D89 VanDerWaalsContact C-N 3.32Å; I87-D89 PolarHBondContact O-N 2.89Å; D89-I91 VanDerWaalsContact C-N 3.32Å; D89-I91 PolarHBondContact O-N 3.07Å; D89-Q92 WeakPolarHBondContact O-CA 3.28Å; D89-Q92 VanDerWaalsContact O-CB 3.31Å; D89-Q92 WeakPolarHBondContact O-CB 3.48Å; D89-Q92 PolarHBondContact O-N 3.25Å; D89-V93 PolarHBondContact O-N 3.12Å
90	L	97.3	Very high	95	Very high	6 Å²	6	48 Å²	48	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-38.9	175.3	-166	68.4	0	0	0	112.7	I2 F76 G86 I87 Q92 V93 F94 I124 V125 V130 T133	I2-L90 HydrophobicContact CD1-CD2 3.66Å; F76-L90 HydrophobicContact CD1-CD2 4.39Å; F76-L90 HydrophobicContact CE1-CD2 3.91Å; F76-L90 HydrophobicContact CE1-CG 4.4Å; G86-L90 WeakPolarHBondContact O-CB 3.45Å; G86-L90 PolarHBondContact O-N 2.95Å; I87-L90 HydrophobicContact CD1-CD2 4.41Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.92Å; L90-Q92 VanDerWaalsContact C-N 3.27Å; L90-Q92 PolarHBondContact O-N 3.2Å; L90-V93 PolarHBondContact O-N 3.42Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.12Å; L90-I124 HydrophobicContact CD1-CG2 3.51Å; L90-I124 HydrophobicContact CG-CG2 4.07Å; L90-V125 HydrophobicContact CD2-CG2 3.82Å; L90-V130 HydrophobicContact CD1-CG1 3.82Å; L90-V130 HydrophobicContact CD1-CG2 4.42Å; L90-V130 HydrophobicContact CD2-CG2 3.71Å; L90-T133 HydrophobicContact CD1-CG2 4.07Å
91	I	97.3	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-42	172.2	-70.7	165.8	0	0	0	110.2	I65 R67 Y69 F74 F76 I87 L88 D89 F94 V95	I65-I91 HydrophobicContact CG2-CD1 4.17Å; R67-I91 HydrophobicContact CB-CG2 3.96Å; Y69-I91 HydrophobicContact CE2-CG2 3.87Å; F74-I91 HydrophobicContact CB-CG2 3.78Å; F74-I91 HydrophobicContact CG-CG2 4.43Å; F76-I91 HydrophobicContact CB-CD1 4.41Å; F76-I91 HydrophobicContact CD2-CD1 3.84Å; F76-I91 HydrophobicContact CD2-CG1 3.42Å; F76-I91 VanDerWaalsContact CD2-CG1 3.42Å; F76-I91 HydrophobicContact CE2-CD1 4.45Å; F76-I91 HydrophobicContact CE2-CG1 3.57Å; F76-I91 HydrophobicContact CG-CD1 4.28Å; F76-I91 HydrophobicContact CG-CG1 4Å; F76-I91 HydrophobicContact CZ-CG1 4.23Å; I87-I91 HydrophobicContact CG2-CD1 4.44Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.28Å; L88-I91 PolarHBondContact O-N 2.81Å; D89-I91 VanDerWaalsContact C-N 3.32Å; D89-I91 PolarHBondContact O-N 3.07Å; I91-F94 PolarHBondContact O-N 2.96Å; I91-V95 HydrophobicContact CG2-CG2 4.42Å; I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 3.42Å
92	Q	96.5	Very high	95.5	Very high	63 Å²	63	42.6 Å²	42.6	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-47.1	178.2	-179.7	171.7	-25.1	0	0	111.7	R67 L88 D89 L90 F94 V95 E96	R67-Q92 VanDerWaalsContact NH1-OE1 3.11Å; L88-Q92 PolarHBondContact O-N 3.09Å; D89-Q92 WeakPolarHBondContact O-CA 3.28Å; D89-Q92 VanDerWaalsContact O-CB 3.31Å; D89-Q92 WeakPolarHBondContact O-CB 3.48Å; D89-Q92 PolarHBondContact O-N 3.25Å; L90-Q92 VanDerWaalsContact C-N 3.27Å; L90-Q92 PolarHBondContact O-N 3.2Å; Q92-F94 VanDerWaalsContact C-N 3.25Å; Q92-F94 PolarHBondContact O-N 3.06Å; Q92-V95 PolarHBondContact O-N 3.44Å; Q92-E96 HydrophobicContact CG-CG 4.26Å; Q92-E96 VanDerWaalsContact CG-OE1 3.23Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.37Å; Q92-E96 PolarHBondContact NE2-OE1 3.27Å; Q92-E96 WeakPolarHBondContact O-CB 3.26Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 3.32Å
93	V	97.4	Very high	95.6	Very high	15 Å²	15	47.8 Å²	47.8	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-54.3	-44.4	173.9	171.7	0	0	0	0	110.8	D89 L90 T97 T133 M135 I138	D89-V93 PolarHBondContact O-N 3.12Å; L90-V93 PolarHBondContact O-N 3.42Å; V93-T97 VanDerWaalsContact O-CB 3.26Å; V93-T97 WeakPolarHBondContact O-CB 3.4Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 2.92Å; V93-T133 WeakPolarHBondContact CG1-O 3.39Å; V93-M135 HydrophobicContact CG1-CG 4.02Å; V93-I138 HydrophobicContact CG1-CD1 3.96Å
94	F	97.9	Very high	95.4	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-47.8	178.7	179.9	-139.4	0	0	0	112.4	V7 L16 F74 F76 L90 I91 Q92 T97 L98 V117 I120 L121 I124	V7-F94 HydrophobicContact CG2-CE1 4.47Å; L16-F94 HydrophobicContact CD1-CZ 4.37Å; F74-F94 HydrophobicContact CD1-CD1 4Å; F74-F94 HydrophobicContact CD1-CE1 4.07Å; F74-F94 HydrophobicContact CE1-CD1 4.08Å; F74-F94 AromaticContact CE1-CE1 3.93Å; F74-F94 HydrophobicContact CE1-CE1 3.93Å; F76-F94 HydrophobicContact CZ-CD1 4.47Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.12Å; I91-F94 PolarHBondContact O-N 2.96Å; Q92-F94 VanDerWaalsContact C-N 3.25Å; Q92-F94 PolarHBondContact O-N 3.06Å; F94-T97 PolarHBondContact O-N 3.43Å; F94-L98 HydrophobicContact CD1-CD1 4.38Å; F94-L98 HydrophobicContact CD2-CD1 4.11Å; F94-L98 HydrophobicContact CD2-CG 4.1Å; F94-L98 HydrophobicContact CE1-CD1 4.04Å; F94-L98 HydrophobicContact CE2-CD1 3.76Å; F94-L98 HydrophobicContact CE2-CD2 4.01Å; F94-L98 HydrophobicContact CE2-CG 3.84Å; F94-L98 HydrophobicContact CG-CD1 4.43Å; F94-L98 HydrophobicContact CZ-CD1 3.73Å; F94-L98 HydrophobicContact CZ-CD2 4.45Å; F94-L98 HydrophobicContact CZ-CG 4.31Å; F94-L98 WeakPolarHBondContact O-CG 3.44Å; F94-L98 PolarHBondContact O-N 3.21Å; F94-V117 HydrophobicContact CZ-CG1 4.11Å; F94-I120 HydrophobicContact CD2-CG2 4.26Å; F94-I120 HydrophobicContact CE2-CG2 4.1Å; F94-L121 HydrophobicContact CD1-CD1 4.43Å; F94-L121 HydrophobicContact CD2-CD1 4.27Å; F94-L121 HydrophobicContact CE1-CD1 4.25Å; F94-L121 HydrophobicContact CE2-CB 3.97Å; F94-L121 HydrophobicContact CE2-CD1 4.07Å; F94-L121 HydrophobicContact CG-CD1 4.43Å; F94-L121 HydrophobicContact CZ-CB 4.12Å; F94-L121 HydrophobicContact CZ-CD1 4.05Å; F94-L121 HydrophobicContact CZ-CG 4.46Å; F94-I124 HydrophobicContact CB-CD1 3.9Å; F94-I124 HydrophobicContact CD2-CD1 3.65Å; F94-I124 HydrophobicContact CG-CD1 4.19Å
95	V	96.6	Very high	95.5	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-42.9	-179.7	173.2	0	0	0	0	111.8	Y69 F74 I91 Q92 T97 L98 D99	Y69-V95 HydrophobicContact CD1-CG1 4.08Å; Y69-V95 HydrophobicContact CD2-CG1 4.49Å; Y69-V95 HydrophobicContact CD2-CG2 3.93Å; Y69-V95 HydrophobicContact CE1-CG1 4.06Å; Y69-V95 HydrophobicContact CE2-CB 4.37Å; Y69-V95 HydrophobicContact CE2-CG1 4.46Å; Y69-V95 HydrophobicContact CE2-CG2 3.73Å; Y69-V95 HydrophobicContact CG-CG1 4.28Å; Y69-V95 HydrophobicContact CG-CG2 4.49Å; F74-V95 HydrophobicContact CD1-CG2 3.86Å; F74-V95 HydrophobicContact CD2-CG2 4.12Å; F74-V95 HydrophobicContact CE1-CG2 3.69Å; F74-V95 HydrophobicContact CE2-CG2 3.95Å; F74-V95 HydrophobicContact CG-CG2 4.07Å; F74-V95 HydrophobicContact CZ-CG2 3.74Å; I91-V95 HydrophobicContact CG2-CG2 4.42Å; I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 3.42Å; Q92-V95 PolarHBondContact O-N 3.44Å; V95-T97 VanDerWaalsContact C-N 3.34Å; V95-T97 PolarHBondContact O-N 2.87Å; V95-L98 PolarHBondContact O-N 2.89Å; V95-D99 PolarHBondContact O-N 2.82Å
96	E	96.4	Very high	95.5	Very high	71 Å²	71	47.3 Å²	47.3	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-36.1	176.6	-71.2	-176.5	-162.1	0	0	112.1	Q92 D99 R100 M135	Q92-E96 HydrophobicContact CG-CG 4.26Å; Q92-E96 VanDerWaalsContact CG-OE1 3.23Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.37Å; Q92-E96 PolarHBondContact NE2-OE1 3.27Å; Q92-E96 WeakPolarHBondContact O-CB 3.26Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 3.32Å; E96-D99 PolarHBondContact O-N 3.16Å; E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.08Å; E96-R100 VanDerWaalsContact O-N 3.1Å; E96-M135 HydrophobicContact CB-SD 3.52Å; E96-M135 VanDerWaalsContact CB-SD 3.52Å; E96-M135 WeakPolarHBondContact OE2-CE 3.34Å; E96-M135 VanDerWaalsContact OE2-SD 3.4Å
97	T	96.7	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-43.2	174.2	-59	0	0	0	0	111	V93 F94 V95 R100 C101 I120 I138 L139 I142	V93-T97 VanDerWaalsContact O-CB 3.26Å; V93-T97 WeakPolarHBondContact O-CB 3.4Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 2.92Å; F94-T97 PolarHBondContact O-N 3.43Å; V95-T97 VanDerWaalsContact C-N 3.34Å; V95-T97 PolarHBondContact O-N 2.87Å; T97-R100 PolarHBondContact O-N 3.03Å; T97-C101 WeakPolarHBondContact O-CB 3.4Å; T97-C101 PolarHBondContact O-N 2.82Å; T97-C101 PolarHBondContact O-SG 2.83Å; T97-I120 HydrophobicContact CG2-CG2 3.67Å; T97-I138 HydrophobicContact CG2-CG2 3.65Å; T97-L139 HydrophobicContact CG2-CD2 4.27Å; T97-I142 HydrophobicContact CG2-CD1 3.99Å
98	L	96.7	Very high	95.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-45.4	174.4	-71.8	171.3	0	0	0	111.5	F74 F94 V95 R100 C101 F102 V105 V117 I120	F74-L98 HydrophobicContact CE1-CD1 4.15Å; F94-L98 HydrophobicContact CD1-CD1 4.38Å; F94-L98 HydrophobicContact CD2-CD1 4.11Å; F94-L98 HydrophobicContact CD2-CG 4.1Å; F94-L98 HydrophobicContact CE1-CD1 4.04Å; F94-L98 HydrophobicContact CE2-CD1 3.76Å; F94-L98 HydrophobicContact CE2-CD2 4.01Å; F94-L98 HydrophobicContact CE2-CG 3.84Å; F94-L98 HydrophobicContact CG-CD1 4.43Å; F94-L98 HydrophobicContact CZ-CD1 3.73Å; F94-L98 HydrophobicContact CZ-CD2 4.45Å; F94-L98 HydrophobicContact CZ-CG 4.31Å; F94-L98 WeakPolarHBondContact O-CG 3.44Å; F94-L98 PolarHBondContact O-N 3.21Å; V95-L98 PolarHBondContact O-N 2.89Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 2.96Å; L98-C101 PolarHBondContact O-N 3.03Å; L98-C101 VanDerWaalsContact O-N 3.14Å; L98-F102 HydrophobicContact CD2-CD2 4.37Å; L98-F102 HydrophobicContact CD2-CE2 3.93Å; L98-F102 WeakPolarHBondContact O-CD2 3.27Å; L98-F102 PolarHBondContact O-N 3.4Å; L98-V105 HydrophobicContact CB-CG1 4.31Å; L98-V105 HydrophobicContact CB-CG2 4.37Å; L98-V117 HydrophobicContact CD2-CB 4.5Å; L98-V117 HydrophobicContact CD2-CG1 4.03Å; L98-V117 HydrophobicContact CD2-CG2 4.31Å; L98-I120 HydrophobicContact CD2-CD1 3.82Å; L98-I120 HydrophobicContact CD2-CG2 4.27Å
99	D	95.9	Very high	95.2	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-39.6	-179.7	-170	55.1	0	0	0	112.7	V95 E96 E103 N104 V105	V95-D99 PolarHBondContact O-N 2.82Å; E96-D99 PolarHBondContact O-N 3.16Å; D99-E103 WeakPolarHBondContact O-CA 3.34Å; D99-E103 PolarHBondContact O-N 2.96Å; D99-N104 PolarHBondContact O-N 3.46Å; D99-N104 VanDerWaalsContact OD1-CA 3.25Å; D99-N104 WeakPolarHBondContact OD1-CA 3.32Å; D99-V105 HydrophobicContact CB-CG1 4.05Å; D99-V105 PolarHBondContact OD1-N 3.14Å; D99-V105 VanDerWaalsContact OD1-N 3.16Å
100	R	95.2	Very high	95.2	Very high	130 Å²	130	48 Å²	48	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-70.8	-37	174.7	-69.8	179.3	-176.9	-162.6	4.5	113.1	E96 T97 L98 M135 L139	E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.08Å; E96-R100 VanDerWaalsContact O-N 3.1Å; T97-R100 PolarHBondContact O-N 3.03Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 2.96Å; R100-M135 VanDerWaalsContact NH2-CE 3.28Å; R100-L139 HydrophobicContact CB-CD1 4.32Å; R100-L139 HydrophobicContact CB-CD2 3.99Å
101	C	94.3	Very high	95.1	Very high	26 Å²	26	51 Å²	51	18%	0.176	26%	0.258	C	S	.	.	H	α-helix	trans	-72.2	-30	-178.7	-70.5	0	0	0	0	113.7	T97 L98 I120	T97-C101 WeakPolarHBondContact O-CB 3.4Å; T97-C101 PolarHBondContact O-N 2.82Å; T97-C101 PolarHBondContact O-SG 2.83Å; L98-C101 PolarHBondContact O-N 3.03Å; L98-C101 VanDerWaalsContact O-N 3.14Å; C101-I120 HydrophobicContact CB-CD1 3.76Å
102	F	94.3	Very high	95	Very high	33 Å²	33	57.8 Å²	57.8	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-109.6	0.9	-176.7	-67.8	-74.9	0	0	0	114	L98 V105 D109 H113 K116 V117 I120	L98-F102 HydrophobicContact CD2-CD2 4.37Å; L98-F102 HydrophobicContact CD2-CE2 3.93Å; L98-F102 WeakPolarHBondContact O-CD2 3.27Å; L98-F102 PolarHBondContact O-N 3.4Å; F102-V105 HydrophobicContact CB-CB 3.93Å; F102-V105 HydrophobicContact CB-CG2 3.97Å; F102-V105 HydrophobicContact CD2-CB 4.42Å; F102-V105 HydrophobicContact CD2-CG2 3.77Å; F102-V105 HydrophobicContact CG-CG2 4.12Å; F102-D109 HydrophobicContact CB-CB 4.49Å; F102-D109 HydrophobicContact CD1-CB 3.85Å; F102-D109 HydrophobicContact CD2-CB 4.5Å; F102-D109 HydrophobicContact CE1-CB 4.16Å; F102-D109 HydrophobicContact CG-CB 4.04Å; F102-H113 HydrophobicContact CE1-CB 3.67Å; F102-H113 AromaticContact CE1-CD2 3.91Å; F102-H113 AromaticContact CE1-CG 3.98Å; F102-H113 HydrophobicContact CZ-CB 3.86Å; F102-K116 HydrophobicContact CE1-CD 4.16Å; F102-K116 HydrophobicContact CZ-CB 4.2Å; F102-K116 HydrophobicContact CZ-CD 4.04Å; F102-K116 HydrophobicContact CZ-CG 4.12Å; F102-V117 HydrophobicContact CE2-CG2 4.04Å; F102-V117 HydrophobicContact CZ-CG2 4.03Å; F102-I120 HydrophobicContact CE2-CD1 4.06Å
103	E	92.3	Very high	94.9	Very high	165 Å²	165	59.3 Å²	59.3	77%	0.771	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	74.5	-179.3	-61.6	-178.5	-168.5	0	0	113.2	D99	D99-E103 WeakPolarHBondContact O-CA 3.34Å; D99-E103 PolarHBondContact O-N 2.96Å
104	N	89.8	Confident	94.8	Very high	136 Å²	136	60.6 Å²	60.6	73%	0.727	30%	0.304	S	S	*	.	S	Bend	trans	75.7	68	-169.1	-46	-83.2	0	0	0	111.9	D99 C106	D99-N104 PolarHBondContact O-N 3.46Å; D99-N104 VanDerWaalsContact OD1-CA 3.25Å; D99-N104 WeakPolarHBondContact OD1-CA 3.32Å; N104-C106 PolarHBondContact O-N 3.32Å
105	V	93.3	Very high	94.6	Very high	39 Å²	39	66.4 Å²	66.4	24%	0.236	34%	0.335	C	S	.	.			trans	-58.2	136.5	-174.9	67.6	0	0	0	0	111.8	L98 D99 F102 D109 L110	L98-V105 HydrophobicContact CB-CG1 4.31Å; L98-V105 HydrophobicContact CB-CG2 4.37Å; D99-V105 HydrophobicContact CB-CG1 4.05Å; D99-V105 PolarHBondContact OD1-N 3.14Å; D99-V105 VanDerWaalsContact OD1-N 3.16Å; F102-V105 HydrophobicContact CB-CB 3.93Å; F102-V105 HydrophobicContact CB-CG2 3.97Å; F102-V105 HydrophobicContact CD2-CB 4.42Å; F102-V105 HydrophobicContact CD2-CG2 3.77Å; F102-V105 HydrophobicContact CG-CG2 4.12Å; V105-D109 HydrophobicContact CG2-CB 4.19Å; V105-L110 HydrophobicContact CG2-CD1 3.56Å
106	C	93.5	Very high	94.5	Very high	61 Å²	61	68 Å²	68	41%	0.412	34%	0.341	S	S	.	.			trans	-119.9	165.7	171.3	73.8	0	0	0	0	111.9	N104 L108 D109	N104-C106 PolarHBondContact O-N 3.32Å; C106-L108 PolarHBondContact O-N 2.82Å; C106-L108 VanDerWaalsContact SG-CB 3.58Å; C106-D109 PolarHBondContact N-OD2 2.84Å; C106-D109 PolarHBondContact O-N 3.03Å; C106-D109 VanDerWaalsContact O-N 3.08Å; C106-D109 PolarHBondContact SG-OD2 2.82Å
107	E	93.1	Very high	94.6	Very high	43 Å²	43	64.8 Å²	64.8	20%	0.201	33%	0.325	C	S	.	.	H	α-helix	trans	-53.7	-31.1	177.6	171.1	175.4	177.7	0	0	112.5	N9 R15 T71 L72 D109 L110 I111	N9-E107 WeakPolarHBondContact CB-OE1 3.49Å; N9-E107 PolarHBondContact ND2-OE1 2.67Å; N9-E107 VanDerWaalsContact ND2-OE1 3.1Å; R15-E107 IonicContact CZ-OE1 3.94Å; R15-E107 IonicContact NE-OE1 3.2Å; R15-E107 PolarHBondContact NE-OE1 3.16Å; R15-E107 IonicContact NH2-OE1 2.92Å; R15-E107 PolarHBondContact NH2-OE1 3.42Å; T71-E107 PolarHBondContact OG1-OE2 2.87Å; L72-E107 HydrophobicContact CD1-CB 4.29Å; L72-E107 HydrophobicContact CD2-CB 4.34Å; L72-E107 HydrophobicContact CD2-CG 3.96Å; L72-E107 HydrophobicContact CG-CB 4.4Å; E107-D109 VanDerWaalsContact C-N 3.35Å; E107-L110 PolarHBondContact O-N 3.39Å; E107-I111 HydrophobicContact CG-CD1 4.18Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.19Å
108	L	94.2	Very high	94.5	Very high	90 Å²	90	67.5 Å²	67.5	47%	0.471	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-34	-177.9	-163.6	61.9	0	0	0	112.4	C106 L110 I111 F112	C106-L108 PolarHBondContact O-N 2.82Å; C106-L108 VanDerWaalsContact SG-CB 3.58Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.13Å; L108-I111 WeakPolarHBondContact O-CB 3.41Å; L108-I111 PolarHBondContact O-N 3.36Å; L108-I111 VanDerWaalsContact O-N 3.14Å; L108-F112 HydrophobicContact CD1-CD2 3.8Å; L108-F112 HydrophobicContact CD1-CE2 3.23Å; L108-F112 HydrophobicContact CD1-CZ 3.91Å; L108-F112 HydrophobicContact CD2-CD2 4.25Å; L108-F112 HydrophobicContact CD2-CE2 3.74Å; L108-F112 HydrophobicContact CG-CD2 3.52Å; L108-F112 HydrophobicContact CG-CE2 3.3Å; L108-F112 HydrophobicContact CG-CZ 4.41Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.14Å
109	D	94.9	Very high	94.5	Very high	34 Å²	34	70 Å²	70	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-38.5	177.8	-59.2	-46.9	0	0	0	111.1	F102 V105 C106 E107 I111 F112 H113	F102-D109 HydrophobicContact CB-CB 4.49Å; F102-D109 HydrophobicContact CD1-CB 3.85Å; F102-D109 HydrophobicContact CD2-CB 4.5Å; F102-D109 HydrophobicContact CE1-CB 4.16Å; F102-D109 HydrophobicContact CG-CB 4.04Å; V105-D109 HydrophobicContact CG2-CB 4.19Å; C106-D109 PolarHBondContact N-OD2 2.84Å; C106-D109 PolarHBondContact O-N 3.03Å; C106-D109 VanDerWaalsContact O-N 3.08Å; C106-D109 PolarHBondContact SG-OD2 2.82Å; E107-D109 VanDerWaalsContact C-N 3.35Å; D109-I111 PolarHBondContact O-N 3.04Å; D109-F112 PolarHBondContact O-N 2.96Å; D109-H113 WeakPolarHBondContact O-CA 3.23Å; D109-H113 WeakPolarHBondContact O-CB 3.28Å; D109-H113 PolarHBondContact O-N 3.27Å
110	L	95.7	Very high	94.5	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-31.9	174.8	-80.3	67.6	0	0	0	112	V7 R15 L72 F74 V105 E107 L108 V117	V7-L110 HydrophobicContact CG1-CD2 4.16Å; R15-L110 HydrophobicContact CB-CD2 4.49Å; L72-L110 HydrophobicContact CD1-CD2 3.78Å; F74-L110 HydrophobicContact CZ-CD2 4.48Å; V105-L110 HydrophobicContact CG2-CD1 3.56Å; E107-L110 PolarHBondContact O-N 3.39Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.13Å; L110-V117 HydrophobicContact CB-CG2 4.47Å; L110-V117 HydrophobicContact CG-CG1 4.44Å; L110-V117 HydrophobicContact CG-CG2 4.17Å
111	I	95.1	Very high	94.6	Very high	69 Å²	69	60.5 Å²	60.5	35%	0.354	31%	0.311	S	S	.	.	H	α-helix	trans	-76.4	-48.8	179.2	-62.6	167.9	0	0	0	110.8	E107 L108 D109	E107-I111 HydrophobicContact CG-CD1 4.18Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.19Å; L108-I111 WeakPolarHBondContact O-CB 3.41Å; L108-I111 PolarHBondContact O-N 3.36Å; L108-I111 VanDerWaalsContact O-N 3.14Å; D109-I111 PolarHBondContact O-N 3.04Å
112	F	95.5	Very high	94.8	Very high	141 Å²	141	61.6 Å²	61.6	62%	0.618	32%	0.315	S	S	*	.	H	α-helix	trans	-82.6	-28.4	-174.2	-70.6	-52.9	0	0	0	113.9	L108 D109	L108-F112 HydrophobicContact CD1-CD2 3.8Å; L108-F112 HydrophobicContact CD1-CE2 3.23Å; L108-F112 HydrophobicContact CD1-CZ 3.91Å; L108-F112 HydrophobicContact CD2-CD2 4.25Å; L108-F112 HydrophobicContact CD2-CE2 3.74Å; L108-F112 HydrophobicContact CG-CD2 3.52Å; L108-F112 HydrophobicContact CG-CE2 3.3Å; L108-F112 HydrophobicContact CG-CZ 4.41Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.14Å; D109-F112 PolarHBondContact O-N 2.96Å
113	H	94.8	Very high	94.9	Very high	95 Å²	95	62 Å²	62	44%	0.44	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	41.8	-178.2	-58.3	-63	0	0	0	111.4	F102 D109 D115 K116 V117	F102-H113 HydrophobicContact CE1-CB 3.67Å; F102-H113 AromaticContact CE1-CD2 3.91Å; F102-H113 AromaticContact CE1-CG 3.98Å; F102-H113 HydrophobicContact CZ-CB 3.86Å; D109-H113 WeakPolarHBondContact O-CA 3.23Å; D109-H113 WeakPolarHBondContact O-CB 3.28Å; D109-H113 PolarHBondContact O-N 3.27Å; H113-D115 PolarHBondContact O-N 2.92Å; H113-K116 HydrophobicContact CB-CB 4.28Å; H113-K116 PolarHBondContact O-N 2.9Å; H113-K116 VanDerWaalsContact O-N 3.09Å; H113-V117 VanDerWaalsContact O-CG2 3.24Å; H113-V117 WeakPolarHBondContact O-CG2 3.41Å; H113-V117 PolarHBondContact O-N 3.45Å
114	S	94.5	Very high	95.2	Very high	43 Å²	43	54.1 Å²	54.1	30%	0.301	28%	0.28	S	S	.	.	H	α-helix	trans	-57.2	-35.8	-178.4	71.2	0	0	0	0	112.7	V117 H118	S114-V117 PolarHBondContact O-N 2.94Å; S114-H118 PolarHBondContact O-N 2.68Å; S114-H118 PolarHBondContact O-ND1 3.35Å
115	D	94.2	Very high	95.5	Very high	123 Å²	123	47.6 Å²	47.6	66%	0.658	25%	0.245	S	C	*	.	H	α-helix	trans	-60.4	-49	175.7	-57.7	-44.8	0	0	0	111.3	H113 V117 H118 N119	H113-D115 PolarHBondContact O-N 2.92Å; D115-V117 VanDerWaalsContact C-N 3.32Å; D115-V117 PolarHBondContact O-N 3.38Å; D115-H118 PolarHBondContact O-N 3.36Å; D115-N119 VanDerWaalsContact O-CG 3.32Å; D115-N119 PolarHBondContact O-N 2.93Å; D115-N119 PolarHBondContact O-OD1 3Å
116	K	94.9	Very high	95.6	Very high	54 Å²	54	50.2 Å²	50.2	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-40.8	177.4	-170.9	168.4	-168.8	163.4	0	111.3	F102 H113 H118 N119 I120 D146	F102-K116 HydrophobicContact CE1-CD 4.16Å; F102-K116 HydrophobicContact CZ-CB 4.2Å; F102-K116 HydrophobicContact CZ-CD 4.04Å; F102-K116 HydrophobicContact CZ-CG 4.12Å; H113-K116 HydrophobicContact CB-CB 4.28Å; H113-K116 PolarHBondContact O-N 2.9Å; H113-K116 VanDerWaalsContact O-N 3.09Å; K116-H118 VanDerWaalsContact C-N 3.34Å; K116-H118 PolarHBondContact O-N 2.96Å; K116-N119 PolarHBondContact O-N 3.31Å; K116-I120 HydrophobicContact CG-CD1 4.09Å; K116-I120 HydrophobicContact CG-CG1 4.48Å; K116-I120 VanDerWaalsContact O-CG1 3.22Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.5Å; K116-D146 IonicContact NZ-OD1 3.53Å; K116-D146 IonicContact NZ-OD2 3.65Å; K116-D146 PolarHBondContact NZ-OD2 3.39Å
117	V	97	Very high	95.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-40.2	177.5	-178.3	0	0	0	0	111	L16 F94 L98 F102 L110 H113 S114 D115 I120 L121	L16-V117 HydrophobicContact CD1-CB 4.48Å; L16-V117 HydrophobicContact CD1-CG1 3.5Å; F94-V117 HydrophobicContact CZ-CG1 4.11Å; L98-V117 HydrophobicContact CD2-CB 4.5Å; L98-V117 HydrophobicContact CD2-CG1 4.03Å; L98-V117 HydrophobicContact CD2-CG2 4.31Å; F102-V117 HydrophobicContact CE2-CG2 4.04Å; F102-V117 HydrophobicContact CZ-CG2 4.03Å; L110-V117 HydrophobicContact CB-CG2 4.47Å; L110-V117 HydrophobicContact CG-CG1 4.44Å; L110-V117 HydrophobicContact CG-CG2 4.17Å; H113-V117 VanDerWaalsContact O-CG2 3.24Å; H113-V117 WeakPolarHBondContact O-CG2 3.41Å; H113-V117 PolarHBondContact O-N 3.45Å; S114-V117 PolarHBondContact O-N 2.94Å; D115-V117 VanDerWaalsContact C-N 3.32Å; D115-V117 PolarHBondContact O-N 3.38Å; V117-I120 PolarHBondContact O-N 3.28Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 2.81Å
118	H	96.4	Very high	95.6	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.269	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-38.5	174.9	-76.1	81.6	0	0	0	112	S114 D115 K116 L121 N122	S114-H118 PolarHBondContact O-N 2.68Å; S114-H118 PolarHBondContact O-ND1 3.35Å; D115-H118 PolarHBondContact O-N 3.36Å; K116-H118 VanDerWaalsContact C-N 3.34Å; K116-H118 PolarHBondContact O-N 2.96Å; H118-L121 PolarHBondContact O-N 3.35Å; H118-N122 WeakPolarHBondContact O-CB 3.38Å; H118-N122 PolarHBondContact O-N 3.31Å; H118-N122 PolarHBondContact O-ND2 2.91Å
119	N	95.6	Very high	95.6	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-47.2	174.9	-68.4	-9.9	0	0	0	111.3	D115 K116 L121 N122 E123	D115-N119 VanDerWaalsContact O-CG 3.32Å; D115-N119 PolarHBondContact O-N 2.93Å; D115-N119 PolarHBondContact O-OD1 3Å; K116-N119 PolarHBondContact O-N 3.31Å; N119-L121 VanDerWaalsContact C-N 3.3Å; N119-L121 PolarHBondContact O-N 3.39Å; N119-N122 WeakPolarHBondContact O-CB 3.48Å; N119-N122 PolarHBondContact O-N 3.09Å; N119-E123 PolarHBondContact O-N 2.8Å
120	I	96.9	Very high	95.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-46.9	173.9	-65.6	167.1	0	0	0	110.3	F94 T97 L98 C101 F102 K116 V117 N122 E123 I124 I142	F94-I120 HydrophobicContact CD2-CG2 4.26Å; F94-I120 HydrophobicContact CE2-CG2 4.1Å; T97-I120 HydrophobicContact CG2-CG2 3.67Å; L98-I120 HydrophobicContact CD2-CD1 3.82Å; L98-I120 HydrophobicContact CD2-CG2 4.27Å; C101-I120 HydrophobicContact CB-CD1 3.76Å; F102-I120 HydrophobicContact CE2-CD1 4.06Å; K116-I120 HydrophobicContact CG-CD1 4.09Å; K116-I120 HydrophobicContact CG-CG1 4.48Å; K116-I120 VanDerWaalsContact O-CG1 3.22Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.5Å; V117-I120 PolarHBondContact O-N 3.28Å; I120-N122 VanDerWaalsContact C-N 3.27Å; I120-N122 PolarHBondContact O-N 3.41Å; I120-E123 PolarHBondContact O-N 3.48Å; I120-I124 HydrophobicContact CG2-CD1 4.49Å; I120-I142 HydrophobicContact CB-CD1 4.31Å; I120-I142 HydrophobicContact CG1-CD1 3.7Å; I120-I142 HydrophobicContact CG1-CG1 4.16Å; I120-I142 HydrophobicContact CG2-CD1 4.21Å
121	L	97.3	Very high	95.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-30.5	178.4	-175.4	59.5	0	0	0	112.6	I5 L16 K18 F94 V117 H118 N119 E123 I124 V125	I5-L121 HydrophobicContact CB-CD2 4.44Å; I5-L121 HydrophobicContact CD1-CD1 3.87Å; I5-L121 HydrophobicContact CD1-CD2 4.19Å; I5-L121 HydrophobicContact CD1-CG 4.38Å; I5-L121 HydrophobicContact CG2-CD2 4.12Å; L16-L121 HydrophobicContact CD1-CD2 3.85Å; L16-L121 HydrophobicContact CD2-CD2 3.63Å; L16-L121 HydrophobicContact CG-CD2 4.35Å; K18-L121 HydrophobicContact CB-CD2 4.32Å; K18-L121 HydrophobicContact CD-CD2 3.65Å; K18-L121 HydrophobicContact CD-CG 4.21Å; F94-L121 HydrophobicContact CD1-CD1 4.43Å; F94-L121 HydrophobicContact CD2-CD1 4.27Å; F94-L121 HydrophobicContact CE1-CD1 4.25Å; F94-L121 HydrophobicContact CE2-CB 3.97Å; F94-L121 HydrophobicContact CE2-CD1 4.07Å; F94-L121 HydrophobicContact CG-CD1 4.43Å; F94-L121 HydrophobicContact CZ-CB 4.12Å; F94-L121 HydrophobicContact CZ-CD1 4.05Å; F94-L121 HydrophobicContact CZ-CG 4.46Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 2.81Å; H118-L121 PolarHBondContact O-N 3.35Å; N119-L121 VanDerWaalsContact C-N 3.3Å; N119-L121 PolarHBondContact O-N 3.39Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-I124 PolarHBondContact O-N 3.12Å; L121-V125 PolarHBondContact O-N 2.9Å
122	N	96.7	Very high	95.8	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-67.6	-32.4	176.8	-75.7	-29	0	0	0	112.5	K18 H118 N119 I120 I124 M126	K18-N122 PolarHBondContact NZ-OD1 3.25Å; H118-N122 WeakPolarHBondContact O-CB 3.38Å; H118-N122 PolarHBondContact O-N 3.31Å; H118-N122 PolarHBondContact O-ND2 2.91Å; N119-N122 WeakPolarHBondContact O-CB 3.48Å; N119-N122 PolarHBondContact O-N 3.09Å; I120-N122 VanDerWaalsContact C-N 3.27Å; I120-N122 PolarHBondContact O-N 3.41Å; N122-I124 VanDerWaalsContact C-N 3.26Å; N122-I124 PolarHBondContact O-N 3Å; N122-M126 HydrophobicContact CB-CE 4.12Å
123	E	97.2	Very high	95.8	Very high	40 Å²	40	50.4 Å²	50.4	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-26.9	173.8	-63.5	-53	124.5	0	0	112.2	N119 I120 L121 I138 R141 Q145	N119-E123 PolarHBondContact O-N 2.8Å; I120-E123 PolarHBondContact O-N 3.48Å; L121-E123 VanDerWaalsContact C-N 3.34Å; E123-I138 HydrophobicContact CB-CG2 4.02Å; E123-R141 HydrophobicContact CG-CB 4.33Å; E123-R141 WeakPolarHBondContact OE2-CB 3.45Å; E123-Q145 PolarHBondContact OE1-NE2 3.34Å
124	I	97.7	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-90.1	-47.8	-178.9	-56.7	174	0	0	0	111.4	L90 F94 I120 L121 N122 L131 I138	L90-I124 HydrophobicContact CD1-CG2 3.51Å; L90-I124 HydrophobicContact CG-CG2 4.07Å; F94-I124 HydrophobicContact CB-CD1 3.9Å; F94-I124 HydrophobicContact CD2-CD1 3.65Å; F94-I124 HydrophobicContact CG-CD1 4.19Å; I120-I124 HydrophobicContact CG2-CD1 4.49Å; L121-I124 PolarHBondContact O-N 3.12Å; N122-I124 VanDerWaalsContact C-N 3.26Å; N122-I124 PolarHBondContact O-N 3Å; I124-L131 PolarHBondContact O-N 2.7Å; I124-I138 HydrophobicContact CD1-CD1 4.39Å; I124-I138 HydrophobicContact CG1-CD1 3.79Å; I124-I138 HydrophobicContact CG1-CG1 4.4Å; I124-I138 HydrophobicContact CG1-CG2 4.39Å
125	V	97.1	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.2	-175.3	-169.2	0	0	0	0	111.9	I2 I5 K18 F20 F76 L90 L121 M129	I2-V125 HydrophobicContact CB-CG1 4.47Å; I2-V125 HydrophobicContact CD1-CG1 3.82Å; I2-V125 HydrophobicContact CD1-CG2 3.96Å; I5-V125 HydrophobicContact CD1-CB 4.12Å; I5-V125 HydrophobicContact CD1-CG1 4.24Å; I5-V125 HydrophobicContact CD1-CG2 4.14Å; K18-V125 PolarHBondContact NZ-O 3.21Å; F20-V125 HydrophobicContact CE1-CG1 4.18Å; F20-V125 HydrophobicContact CE2-CG1 3.86Å; F20-V125 HydrophobicContact CZ-CB 4.12Å; F20-V125 HydrophobicContact CZ-CG1 3.4Å; F76-V125 HydrophobicContact CE1-CG2 4.48Å; L90-V125 HydrophobicContact CD2-CG2 3.82Å; L121-V125 PolarHBondContact O-N 2.9Å; V125-M129 WeakPolarHBondContact CA-O 3.14Å; V125-M129 WeakPolarHBondContact CG1-O 3.29Å
126	M	95.3	Very high	96	Very high	94 Å²	94	46.8 Å²	46.8	46%	0.463	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.3	176.1	-162.6	178.4	-64.9	0	0	110.8	N122 G128 M129 L131	N122-M126 HydrophobicContact CB-CE 4.12Å; M126-G128 PolarHBondContact O-N 2.91Å; M126-G128 VanDerWaalsContact O-N 3.12Å; M126-M129 PolarHBondContact N-O 3.4Å; M126-M129 PolarHBondContact O-N 3.18Å; M126-L131 HydrophobicContact CB-CD1 3.49Å; M126-L131 VanDerWaalsContact CB-CD1 3.49Å; M126-L131 HydrophobicContact CB-CG 4.05Å; M126-L131 HydrophobicContact CE-CD1 4.08Å; M126-L131 HydrophobicContact SD-CD1 4.44Å
127	G	92.9	Very high	96.1	Very high	47 Å²	47	47.8 Å²	47.8	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	25	-179.2	0	0	0	0	0	114.5	M1 M129	M1-G127 VanDerWaalsContact CE-O 3.25Å; M1-G127 WeakPolarHBondContact CE-O 3.12Å; G127-M129 VanDerWaalsContact C-N 3.28Å; G127-M129 PolarHBondContact O-N 2.89Å
128	G	93.3	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	7.7	-176.9	0	0	0	0	0	114.9	I2 F20 M126	I2-G128 PolarHBondContact N-O 3.42Å; I2-G128 WeakPolarHBondContact O-CA 3.45Å; F20-G128 VanDerWaalsContact CG-N 3.3Å; M126-G128 PolarHBondContact O-N 2.91Å; M126-G128 VanDerWaalsContact O-N 3.12Å
129	M	95	Very high	96.1	Very high	109 Å²	109	46.5 Å²	46.5	54%	0.537	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.6	176.6	-57.8	-177.1	-66.9	0	0	110.5	M1 V125 M126 G127	M1-M129 HydrophobicContact CE-CG 3.76Å; V125-M129 WeakPolarHBondContact CA-O 3.14Å; V125-M129 WeakPolarHBondContact CG1-O 3.29Å; M126-M129 PolarHBondContact N-O 3.4Å; M126-M129 PolarHBondContact O-N 3.18Å; G127-M129 VanDerWaalsContact C-N 3.28Å; G127-M129 PolarHBondContact O-N 2.89Å
130	V	96.2	Very high	96.1	Very high	56 Å²	56	47.5 Å²	47.5	34%	0.339	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.7	171.4	-176.4	0	0	0	0	108.5	I2 L90 T133	I2-V130 HydrophobicContact CD1-CG2 3.98Å; L90-V130 HydrophobicContact CD1-CG1 3.82Å; L90-V130 HydrophobicContact CD1-CG2 4.42Å; L90-V130 HydrophobicContact CD2-CG2 3.71Å; V130-T133 HydrophobicContact CG1-CG2 3.62Å
131	L	96.1	Very high	96.1	Very high	92 Å²	92	52.8 Å²	52.8	48%	0.482	29%	0.285	S	S	.	.			trans	-95.4	-53	-179.7	-69	-175.4	0	0	0	111.6	I124 M126	I124-L131 PolarHBondContact O-N 2.7Å; M126-L131 HydrophobicContact CB-CD1 3.49Å; M126-L131 VanDerWaalsContact CB-CD1 3.49Å; M126-L131 HydrophobicContact CB-CG 4.05Å; M126-L131 HydrophobicContact CE-CD1 4.08Å; M126-L131 HydrophobicContact SD-CD1 4.44Å
132	E	96.8	Very high	96	Very high	63 Å²	63	53.1 Å²	53.1	29%	0.294	29%	0.286	S	S	.	.			trans	-140.5	140.7	-177	-174.7	55.7	-96.7	0	0	110.1	N134 E137 I138	E132-N134 VanDerWaalsContact OE1-CB 3.24Å; E132-N134 WeakPolarHBondContact OE1-CB 2.89Å; E132-N134 PolarHBondContact OE1-N 3.02Å; E132-E137 HydrophobicContact CG-CB 4.04Å; E132-I138 HydrophobicContact CB-CD1 4.41Å; E132-I138 HydrophobicContact CB-CG1 3.94Å; E132-I138 HydrophobicContact CG-CD1 4.1Å; E132-I138 HydrophobicContact CG-CG1 3.54Å
133	T	96.3	Very high	95.9	Very high	79 Å²	79	57.5 Å²	57.5	49%	0.485	31%	0.305	S	S	.	.			trans	-120.3	-15.3	176.2	61.3	0	0	0	0	112.1	L90 V93 V130 M135	L90-T133 HydrophobicContact CD1-CG2 4.07Å; V93-T133 WeakPolarHBondContact CG1-O 3.39Å; V130-T133 HydrophobicContact CG1-CG2 3.62Å; T133-M135 PolarHBondContact O-N 2.73Å
134	N	96.2	Very high	95.8	Very high	75 Å²	75	60.5 Å²	60.5	40%	0.401	32%	0.319	S	S	.	.			trans	-77.6	107.2	176	-172.8	-19.4	0	0	0	110.5	E132 S136 E137 I138	E132-N134 VanDerWaalsContact OE1-CB 3.24Å; E132-N134 WeakPolarHBondContact OE1-CB 2.89Å; E132-N134 PolarHBondContact OE1-N 3.02Å; N134-S136 PolarHBondContact O-N 3.18Å; N134-S136 VanDerWaalsContact O-N 3.12Å; N134-S136 WeakPolarHBondContact OD1-CB 3.49Å; N134-S136 PolarHBondContact OD1-N 2.75Å; N134-E137 HydrophobicContact CB-CB 4.38Å; N134-E137 HydrophobicContact CB-CG 4.32Å; N134-E137 PolarHBondContact O-N 3.14Å; N134-E137 VanDerWaalsContact O-N 3.09Å; N134-I138 WeakPolarHBondContact O-CG1 3.23Å; N134-I138 PolarHBondContact O-N 2.79Å; N134-I138 VanDerWaalsContact O-N 3.07Å
135	M	95.3	Very high	95.6	Very high	33 Å²	33	63 Å²	63	16%	0.163	33%	0.331	C	S	.	.	H	α-helix	trans	-53.2	-34.2	177.6	-64	-170.5	-59.2	0	0	113.7	V93 E96 R100 T133 I138 L139	V93-M135 HydrophobicContact CG1-CG 4.02Å; E96-M135 HydrophobicContact CB-SD 3.52Å; E96-M135 VanDerWaalsContact CB-SD 3.52Å; E96-M135 WeakPolarHBondContact OE2-CE 3.34Å; E96-M135 VanDerWaalsContact OE2-SD 3.4Å; R100-M135 VanDerWaalsContact NH2-CE 3.28Å; T133-M135 PolarHBondContact O-N 2.73Å; M135-I138 PolarHBondContact O-N 3.5Å; M135-L139 WeakPolarHBondContact O-CB 3.31Å; M135-L139 WeakPolarHBondContact O-CD1 3.36Å; M135-L139 WeakPolarHBondContact O-CG 3.42Å; M135-L139 PolarHBondContact O-N 2.84Å
136	S	95.6	Very high	95.3	Very high	77 Å²	77	64.9 Å²	64.9	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-40.7	-179.4	-56.9	0	0	0	0	111.7	N134 L140	N134-S136 PolarHBondContact O-N 3.18Å; N134-S136 VanDerWaalsContact O-N 3.12Å; N134-S136 WeakPolarHBondContact OD1-CB 3.49Å; N134-S136 PolarHBondContact OD1-N 2.75Å; S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 PolarHBondContact O-N 2.81Å; S136-L140 VanDerWaalsContact O-N 3.17Å
137	E	96.9	Very high	95.2	Very high	75 Å²	75	66.9 Å²	66.9	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-69.7	-43.7	175.8	-70.2	-64.4	142.6	0	0	110.6	E132 N134 L139 L140 R141	E132-E137 HydrophobicContact CG-CB 4.04Å; N134-E137 HydrophobicContact CB-CB 4.38Å; N134-E137 HydrophobicContact CB-CG 4.32Å; N134-E137 PolarHBondContact O-N 3.14Å; N134-E137 VanDerWaalsContact O-N 3.09Å; E137-L139 PolarHBondContact O-N 3.39Å; E137-L140 WeakPolarHBondContact O-CB 3.41Å; E137-L140 PolarHBondContact O-N 2.81Å; E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 PolarHBondContact O-N 2.89Å; E137-R141 IonicContact OE2-NH2 3.93Å
138	I	96.8	Very high	95.2	Very high	1 Å²	1	69 Å²	69	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-58	-49	178.3	-63.2	159	0	0	0	110.7	V93 T97 E123 I124 E132 N134 M135 L140 R141 I142	V93-I138 HydrophobicContact CG1-CD1 3.96Å; T97-I138 HydrophobicContact CG2-CG2 3.65Å; E123-I138 HydrophobicContact CB-CG2 4.02Å; I124-I138 HydrophobicContact CD1-CD1 4.39Å; I124-I138 HydrophobicContact CG1-CD1 3.79Å; I124-I138 HydrophobicContact CG1-CG1 4.4Å; I124-I138 HydrophobicContact CG1-CG2 4.39Å; E132-I138 HydrophobicContact CB-CD1 4.41Å; E132-I138 HydrophobicContact CB-CG1 3.94Å; E132-I138 HydrophobicContact CG-CD1 4.1Å; E132-I138 HydrophobicContact CG-CG1 3.54Å; N134-I138 WeakPolarHBondContact O-CG1 3.23Å; N134-I138 PolarHBondContact O-N 2.79Å; N134-I138 VanDerWaalsContact O-N 3.07Å; M135-I138 PolarHBondContact O-N 3.5Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 2.9Å; I138-R141 PolarHBondContact O-N 2.85Å; I138-I142 HydrophobicContact CG2-CD1 3.62Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 WeakPolarHBondContact O-CD1 3.45Å; I138-I142 VanDerWaalsContact O-CG1 3.27Å; I138-I142 WeakPolarHBondContact O-CG1 3.25Å; I138-I142 PolarHBondContact O-N 2.89Å
139	L	96.2	Very high	94.9	Very high	31 Å²	31	73.7 Å²	73.7	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178.6	-69.6	166.2	0	0	0	112	T97 R100 M135 E137 R141 I142 E143	T97-L139 HydrophobicContact CG2-CD2 4.27Å; R100-L139 HydrophobicContact CB-CD1 4.32Å; R100-L139 HydrophobicContact CB-CD2 3.99Å; M135-L139 WeakPolarHBondContact O-CB 3.31Å; M135-L139 WeakPolarHBondContact O-CD1 3.36Å; M135-L139 WeakPolarHBondContact O-CG 3.42Å; M135-L139 PolarHBondContact O-N 2.84Å; E137-L139 PolarHBondContact O-N 3.39Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 2.91Å; L139-I142 PolarHBondContact O-N 3.08Å; L139-E143 WeakPolarHBondContact O-CG 3.29Å; L139-E143 PolarHBondContact O-N 3.06Å
140	L	96.9	Very high	94.6	Very high	74 Å²	74	75.8 Å²	75.8	39%	0.387	37%	0.374	S	S	.	.	H	α-helix	trans	-60.1	-43.8	175.7	-178.8	147.1	0	0	0	111.4	S136 E137 I138 E143 E144	S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 PolarHBondContact O-N 2.81Å; S136-L140 VanDerWaalsContact O-N 3.17Å; E137-L140 WeakPolarHBondContact O-CB 3.41Å; E137-L140 PolarHBondContact O-N 2.81Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 2.9Å; L140-E143 PolarHBondContact O-N 2.77Å; L140-E144 HydrophobicContact CD2-CG 4.43Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 2.7Å
141	R	96.2	Very high	94.3	Very high	113 Å²	113	78.3 Å²	78.3	43%	0.426	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-38.1	177	-60.1	-48.2	170.8	87.9	6.2	112.6	E123 E137 I138 L139 E144 Q145	E123-R141 HydrophobicContact CG-CB 4.33Å; E123-R141 WeakPolarHBondContact OE2-CB 3.45Å; E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 PolarHBondContact O-N 2.89Å; E137-R141 IonicContact OE2-NH2 3.93Å; I138-R141 PolarHBondContact O-N 2.85Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 2.91Å; R141-E144 PolarHBondContact O-N 3.15Å; R141-Q145 WeakPolarHBondContact O-CG 3.49Å; R141-Q145 PolarHBondContact O-N 3.16Å
142	I	95.1	Very high	93.8	Very high	7 Å²	7	80.2 Å²	80.2	4%	0.036	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-42.3	175.9	-64.9	156.4	0	0	0	110.8	T97 I120 I138 L139 E144 Q145 D146	T97-I142 HydrophobicContact CG2-CD1 3.99Å; I120-I142 HydrophobicContact CB-CD1 4.31Å; I120-I142 HydrophobicContact CG1-CD1 3.7Å; I120-I142 HydrophobicContact CG1-CG1 4.16Å; I120-I142 HydrophobicContact CG2-CD1 4.21Å; I138-I142 HydrophobicContact CG2-CD1 3.62Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 WeakPolarHBondContact O-CD1 3.45Å; I138-I142 VanDerWaalsContact O-CG1 3.27Å; I138-I142 WeakPolarHBondContact O-CG1 3.25Å; I138-I142 PolarHBondContact O-N 2.89Å; L139-I142 PolarHBondContact O-N 3.08Å; I142-E144 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 3.24Å; I142-Q145 PolarHBondContact O-N 3.45Å; I142-D146 PolarHBondContact O-N 2.95Å
143	E	94.7	Very high	92.8	Very high	140 Å²	140	80.4 Å²	80.4	65%	0.654	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-39.2	175.6	-75	-177.9	-168.2	0	0	112.5	L139 L140 K147	L139-E143 WeakPolarHBondContact O-CG 3.29Å; L139-E143 PolarHBondContact O-N 3.06Å; L140-E143 PolarHBondContact O-N 2.77Å; E143-K147 WeakPolarHBondContact O-CB 3.4Å; E143-K147 PolarHBondContact O-N 2.89Å
144	E	95.5	Very high	91.3	Very high	103 Å²	103	78.8 Å²	78.8	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-42.6	174.8	-73.1	-179.7	159.7	0	0	111.9	L140 R141 I142 K147 I148	L140-E144 HydrophobicContact CD2-CG 4.43Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 2.7Å; R141-E144 PolarHBondContact O-N 3.15Å; I142-E144 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 3.24Å; E144-K147 WeakPolarHBondContact O-CB 3.21Å; E144-K147 PolarHBondContact O-N 3.32Å; E144-I148 WeakPolarHBondContact O-CG1 3.19Å; E144-I148 PolarHBondContact O-N 3.47Å
145	Q	93.6	Very high	89.7	Confident	54 Å²	54	81.4 Å²	81.4	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-50.7	174.3	-72.5	173.8	7	0	0	111.2	E123 R141 I142 K147 I148 E149	E123-Q145 PolarHBondContact OE1-NE2 3.34Å; R141-Q145 WeakPolarHBondContact O-CG 3.49Å; R141-Q145 PolarHBondContact O-N 3.16Å; I142-Q145 PolarHBondContact O-N 3.45Å; Q145-K147 PolarHBondContact O-N 3Å; Q145-K147 VanDerWaalsContact O-N 3.16Å; Q145-I148 PolarHBondContact O-N 3.47Å; Q145-E149 WeakPolarHBondContact O-CG 3.35Å; Q145-E149 PolarHBondContact O-N 3.03Å
146	D	91.5	Very high	88	Confident	39 Å²	39	83.6 Å²	83.6	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-57.5	-33.4	178	-81.1	-2	0	0	0	111.6	K116 I142 K150	K116-D146 IonicContact NZ-OD1 3.53Å; K116-D146 IonicContact NZ-OD2 3.65Å; K116-D146 PolarHBondContact NZ-OD2 3.39Å; I142-D146 PolarHBondContact O-N 2.95Å; D146-K150 VanDerWaalsContact O-CD 3.3Å; D146-K150 WeakPolarHBondContact O-CD 3.43Å; D146-K150 WeakPolarHBondContact O-CG 3.33Å; D146-K150 PolarHBondContact O-N 2.97Å
147	K	93	Very high	86.1	Confident	136 Å²	136	83.7 Å²	83.7	59%	0.591	44%	0.442	S	S	*	.	H	α-helix	trans	-71.9	-41	176.6	-176.4	-178.6	177.7	-175.7	0	112.2	E143 E144 Q145 Q151	E143-K147 WeakPolarHBondContact O-CB 3.4Å; E143-K147 PolarHBondContact O-N 2.89Å; E144-K147 WeakPolarHBondContact O-CB 3.21Å; E144-K147 PolarHBondContact O-N 3.32Å; Q145-K147 PolarHBondContact O-N 3Å; Q145-K147 VanDerWaalsContact O-N 3.16Å; K147-Q151 WeakPolarHBondContact O-CG 3.36Å; K147-Q151 PolarHBondContact O-N 3.37Å
148	I	92.1	Very high	84.1	Confident	91 Å²	91	81.9 Å²	81.9	47%	0.467	44%	0.44	S	S	.	.	H	α-helix	trans	-66.9	-47	178.7	-68.1	164.6	0	0	0	110	E144 Q145 K150 Q151 E152	E144-I148 WeakPolarHBondContact O-CG1 3.19Å; E144-I148 PolarHBondContact O-N 3.47Å; Q145-I148 PolarHBondContact O-N 3.47Å; I148-K150 VanDerWaalsContact C-N 3.28Å; I148-K150 PolarHBondContact O-N 2.99Å; I148-Q151 WeakPolarHBondContact O-CA 3.49Å; I148-Q151 WeakPolarHBondContact O-CB 3.35Å; I148-Q151 PolarHBondContact O-N 3.28Å; I148-E152 HydrophobicContact CG2-CG 4.45Å; I148-E152 PolarHBondContact O-N 2.87Å
149	E	88.2	Confident	82	Confident	100 Å²	100	86.4 Å²	86.4	47%	0.467	47%	0.469	S	S	.	.	H	α-helix	trans	-56.3	-42.1	178.1	-70.7	-179	177.9	0	0	112	Q145 Q151 E152 A153	Q145-E149 WeakPolarHBondContact O-CG 3.35Å; Q145-E149 PolarHBondContact O-N 3.03Å; E149-Q151 VanDerWaalsContact C-N 3.34Å; E149-Q151 PolarHBondContact O-N 3.5Å; E149-E152 PolarHBondContact O-N 3.21Å; E149-A153 WeakPolarHBondContact O-CB 3.24Å; E149-A153 PolarHBondContact O-N 3.3Å
150	K	88.2	Confident	80.1	Confident	153 Å²	153	88.1 Å²	88.1	67%	0.665	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-35.7	175.7	-73.3	168.1	-170.3	165.4	0	112.8	D146 I148 G154	D146-K150 VanDerWaalsContact O-CD 3.3Å; D146-K150 WeakPolarHBondContact O-CD 3.43Å; D146-K150 WeakPolarHBondContact O-CG 3.33Å; D146-K150 PolarHBondContact O-N 2.97Å; I148-K150 VanDerWaalsContact C-N 3.28Å; I148-K150 PolarHBondContact O-N 2.99Å; K150-G154 PolarHBondContact O-N 2.78Å
151	Q	89.1	Confident	77.9	Confident	108 Å²	108	94.6 Å²	94.6	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-69	-45	176.4	-71.8	177.1	9.2	0	0	111	K147 I148 E149 A153 G154 L155	K147-Q151 WeakPolarHBondContact O-CG 3.36Å; K147-Q151 PolarHBondContact O-N 3.37Å; I148-Q151 WeakPolarHBondContact O-CA 3.49Å; I148-Q151 WeakPolarHBondContact O-CB 3.35Å; I148-Q151 PolarHBondContact O-N 3.28Å; E149-Q151 VanDerWaalsContact C-N 3.34Å; E149-Q151 PolarHBondContact O-N 3.5Å; Q151-A153 PolarHBondContact O-N 3.04Å; Q151-G154 WeakPolarHBondContact O-CA 3.48Å; Q151-G154 PolarHBondContact O-N 3.46Å; Q151-G154 VanDerWaalsContact O-N 3.11Å; Q151-L155 WeakPolarHBondContact O-CD1 3.29Å; Q151-L155 PolarHBondContact O-N 2.93Å
152	E	84.8	Confident	75.9	Confident	133 Å²	133	92.3 Å²	92.3	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-42	179.1	-68.3	-169.4	160	0	0	112.4	I148 E149 G154 L155 A156	I148-E152 HydrophobicContact CG2-CG 4.45Å; I148-E152 PolarHBondContact O-N 2.87Å; E149-E152 PolarHBondContact O-N 3.21Å; E152-G154 PolarHBondContact O-N 3.39Å; E152-L155 PolarHBondContact O-N 2.95Å; E152-L155 VanDerWaalsContact O-N 3.14Å; E152-A156 PolarHBondContact O-N 3.1Å
153	A	76.5	Confident	74	Confident	66 Å²	66	96.4 Å²	96.4	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-59.4	-37	173.4	0	0	0	0	0	112.1	E149 Q151 A157	E149-A153 WeakPolarHBondContact O-CB 3.24Å; E149-A153 PolarHBondContact O-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.04Å; A153-A157 PolarHBondContact O-N 3.47Å
154	G	65.5	Low	72.2	Confident	46 Å²	46	93.9 Å²	93.9	47%	0.474	53%	0.532	S	S	.	.	H	α-helix	trans	-68.5	-36.8	174.8	0	0	0	0	0	113.8	K150 Q151 E152 A157 A158	K150-G154 PolarHBondContact O-N 2.78Å; Q151-G154 WeakPolarHBondContact O-CA 3.48Å; Q151-G154 PolarHBondContact O-N 3.46Å; Q151-G154 VanDerWaalsContact O-N 3.11Å; E152-G154 PolarHBondContact O-N 3.39Å; G154-A157 PolarHBondContact O-N 2.71Å; G154-A158 PolarHBondContact O-N 2.84Å
155	L	61.6	Low	70.1	Confident	130 Å²	130	91.8 Å²	91.8	68%	0.681	53%	0.532	S	S	*	.	H	α-helix	trans	-70.7	-38.8	175.4	-88.2	92.9	0	0	0	112.2	Q151 E152 A157 A158	Q151-L155 WeakPolarHBondContact O-CD1 3.29Å; Q151-L155 PolarHBondContact O-N 2.93Å; E152-L155 PolarHBondContact O-N 2.95Å; E152-L155 VanDerWaalsContact O-N 3.14Å; L155-A157 PolarHBondContact O-N 3.27Å; L155-A158 WeakPolarHBondContact O-CB 3.31Å; L155-A158 PolarHBondContact O-N 3.16Å
156	A	59.5	Low	68.2	Low	79 Å²	79	96.5 Å²	96.5	65%	0.653	56%	0.556	S	S	*	*	H	α-helix	trans	-63.6	-29.9	175.7	0	0	0	0	0	112.2	E152 A158 P159	E152-A156 PolarHBondContact O-N 3.1Å; A156-A158 VanDerWaalsContact C-N 3.26Å; A156-A158 PolarHBondContact O-N 2.96Å; A156-P159 WeakPolarHBondContact O-CD 3.45Å
157	A	56.4	Low	66.4	Low	78 Å²	78	103.2 Å²	103.2	65%	0.645	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-4.6	171.9	0	0	0	0	0	113.9	A153 G154 L155 P159	A153-A157 PolarHBondContact O-N 3.47Å; G154-A157 PolarHBondContact O-N 2.71Å; L155-A157 PolarHBondContact O-N 3.27Å; A157-P159 WeakPolarHBondContact O-CD 3.43Å
158	A	55.3	Low	64.5	Low	37 Å²	37	103.5 Å²	103.5	31%	0.306	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	4.9	-174.6	0	0	0	0	0	118.4	G154 L155 A156 A160 R161 A162	G154-A158 PolarHBondContact O-N 2.84Å; L155-A158 WeakPolarHBondContact O-CB 3.31Å; L155-A158 PolarHBondContact O-N 3.16Å; A156-A158 VanDerWaalsContact C-N 3.26Å; A156-A158 PolarHBondContact O-N 2.96Å; A158-A160 PolarHBondContact O-N 3.41Å; A158-A160 VanDerWaalsContact O-N 3.08Å; A158-R161 PolarHBondContact O-N 3.35Å; A158-A162 PolarHBondContact O-N 3.44Å
159	P	52.7	Low	62.4	Low	96 Å²	96	104.3 Å²	104.3	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-65.3	-15.2	175.5	22.7	-26.5	0	0	0	112.4	A156 A157 V163	A156-P159 WeakPolarHBondContact O-CD 3.45Å; A157-P159 WeakPolarHBondContact O-CD 3.43Å; P159-V163 VanDerWaalsContact O-CG2 3.25Å; P159-V163 WeakPolarHBondContact O-CG2 3.2Å
160	A	54.9	Low	60.3	Low	67 Å²	67	107 Å²	107	55%	0.554	61%	0.613	S	S	*	*	H	α-helix	trans	-80.9	-34.7	173.8	0	0	0	0	0	114.1	A158 T164	A158-A160 PolarHBondContact O-N 3.41Å; A158-A160 VanDerWaalsContact O-N 3.08Å; A160-T164 PolarHBondContact O-N 2.94Å; A160-T164 PolarHBondContact O-OG1 3.02Å
161	R	51.3	Low	58.3	Low	211 Å²	211	104.7 Å²	104.7	80%	0.796	61%	0.607	S	S	*	*	H	α-helix	trans	-80.1	-36.4	-175.1	-83.5	-174.5	174	174.8	-0.3	113.2	A158 V163 T164 A165	A158-R161 PolarHBondContact O-N 3.35Å; R161-V163 VanDerWaalsContact C-N 3.31Å; R161-V163 PolarHBondContact O-N 3.28Å; R161-T164 PolarHBondContact O-N 3.1Å; R161-A165 PolarHBondContact O-N 3.31Å
162	A	53.8	Low	56.1	Low	64 Å²	64	103.6 Å²	103.6	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-62.2	-40.2	175.3	0	0	0	0	0	111.6	A158 T164 A165 M166	A158-A162 PolarHBondContact O-N 3.44Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 2.96Å; A162-A165 PolarHBondContact O-N 3.41Å; A162-M166 PolarHBondContact O-N 2.95Å; A162-M166 VanDerWaalsContact O-N 3.16Å
163	V	56.8	Low	54.6	Low	94 Å²	94	106.1 Å²	106.1	57%	0.57	62%	0.622	S	S	*	*	H	α-helix	trans	-68.5	-32.8	177.1	-177.9	0	0	0	0	111.7	P159 R161 M166 K167	P159-V163 VanDerWaalsContact O-CG2 3.25Å; P159-V163 WeakPolarHBondContact O-CG2 3.2Å; R161-V163 VanDerWaalsContact C-N 3.31Å; R161-V163 PolarHBondContact O-N 3.28Å; V163-M166 PolarHBondContact O-N 2.95Å; V163-K167 PolarHBondContact O-N 2.96Å
164	T	55.5	Low	53.3	Low	86 Å²	86	111.3 Å²	111.3	53%	0.528	64%	0.635	S	S	.	*	H	α-helix	trans	-74.3	-37.5	177.6	-49.6	0	0	0	0	111.8	A160 R161 A162 M166 K167	A160-T164 PolarHBondContact O-N 2.94Å; A160-T164 PolarHBondContact O-OG1 3.02Å; R161-T164 PolarHBondContact O-N 3.1Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 2.96Å; T164-M166 VanDerWaalsContact C-N 3.29Å; T164-M166 PolarHBondContact O-N 2.84Å; T164-K167 PolarHBondContact O-N 3.37Å; T164-K167 VanDerWaalsContact O-N 3.16Å
165	A	52.5	Low	52.3	Low	60 Å²	60	115 Å²	115	50%	0.496	64%	0.638	S	S	.	*	H	α-helix	trans	-63	-35.9	173.8	0	0	0	0	0	111.9	R161 A162 K167 N168	R161-A165 PolarHBondContact O-N 3.31Å; A162-A165 PolarHBondContact O-N 3.41Å; A165-K167 VanDerWaalsContact C-N 3.28Å; A165-K167 PolarHBondContact O-N 3.25Å; A165-N168 PolarHBondContact O-N 2.81Å
166	M	53.9	Low	51.5	Low	153 Å²	153	117.8 Å²	117.8	75%	0.754	64%	0.644	S	S	*	*	H	α-helix	trans	-68.7	-21.7	175	-73	-165.7	164.7	0	0	114.2	A162 V163 T164	A162-M166 PolarHBondContact O-N 2.95Å; A162-M166 VanDerWaalsContact O-N 3.16Å; V163-M166 PolarHBondContact O-N 2.95Å; T164-M166 VanDerWaalsContact C-N 3.29Å; T164-M166 PolarHBondContact O-N 2.84Å
167	K	53.8	Low	50.8	Low	180 Å²	180	120.7 Å²	120.7	78%	0.783	65%	0.649	S	S	*	*	H	α-helix	trans	-77.1	-22.8	176.2	-94.3	-176.4	175.3	179.2	0	114.2	V163 T164 A165	V163-K167 PolarHBondContact O-N 2.96Å; T164-K167 PolarHBondContact O-N 3.37Å; T164-K167 VanDerWaalsContact O-N 3.16Å; A165-K167 VanDerWaalsContact C-N 3.28Å; A165-K167 PolarHBondContact O-N 3.25Å
168	N	51.4	Low	50.4	Low	142 Å²	142	122.8 Å²	122.8	76%	0.759	65%	0.648	S	S	*	*	H	α-helix	trans	-101.5	-4.2	-177.5	-76.3	-7.2	0	0	0	113.9	A165 N170	A165-N168 PolarHBondContact O-N 2.81Å; N168-N170 PolarHBondContact O-N 2.87Å; N168-N170 VanDerWaalsContact O-N 3.16Å
169	I	48.3	Very low	49.6	Very low	107 Å²	107	132 Å²	132	55%	0.549	68%	0.675	S	S	.	*	S	Bend	trans	-80.6	102.8	168	-61.2	173	0	0	0	106.4	L171	I169-L171 HydrophobicContact CG2-CD1 4.27Å; I169-L171 PolarHBondContact O-N 2.92Å
170	N	44.7	Very low	49.2	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	68%	0.684	S	S	*	*			trans	-57.2	86.9	167.2	-138.6	-13.7	0	0	0	107.3	N168 P172	N168-N170 PolarHBondContact O-N 2.87Å; N168-N170 VanDerWaalsContact O-N 3.16Å; N170-P172 WeakPolarHBondContact O-CD 3.13Å
171	L	46.1	Very low	48.7	Very low	103 Å²	103	137 Å²	137	54%	0.539	69%	0.692	S	S	.	*			trans	-62.3	109.7	-171.1	-142	78.5	0	0	0	107.5	I169 Q173 F175	I169-L171 HydrophobicContact CG2-CD1 4.27Å; I169-L171 PolarHBondContact O-N 2.92Å; L171-Q173 PolarHBondContact O-N 2.93Å; L171-F175 HydrophobicContact CD1-CD2 4.15Å; L171-F175 HydrophobicContact CD1-CE2 4.41Å; L171-F175 HydrophobicContact CD2-CB 3.88Å; L171-F175 HydrophobicContact CD2-CD2 3.95Å; L171-F175 HydrophobicContact CD2-CG 4.22Å; L171-F175 HydrophobicContact CG-CD2 3.75Å; L171-F175 HydrophobicContact CG-CE2 4.4Å; L171-F175 HydrophobicContact CG-CG 4.5Å
172	P	44	Very low	48.4	Very low	86 Å²	86	133.2 Å²	133.2	56%	0.558	69%	0.688	S	S	*	*			trans	-60.5	138	168.3	-11.3	27.6	0	0	0	106.1	N170 Q174	N170-P172 WeakPolarHBondContact O-CD 3.13Å; P172-Q174 PolarHBondContact O-N 3.24Å
173	Q	52.4	Low	48	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-60.9	16.1	-168.2	-65.6	-164.3	-2.3	0	0	116.6	L171	L171-Q173 PolarHBondContact O-N 2.93Å
174	Q	49.6	Very low	47.7	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-81.3	-6.2	179.2	-92.5	-177.1	-39.8	0	0	115.4	P172 K176	P172-Q174 PolarHBondContact O-N 3.24Å; Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 3.09Å
175	F	44.6	Very low	47.5	Very low	124 Å²	124	138.7 Å²	138.7	54%	0.544	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-88.2	9.3	177.8	-70.2	-79.4	0	0	0	114.8	L171 D177 I178	L171-F175 HydrophobicContact CD1-CD2 4.15Å; L171-F175 HydrophobicContact CD1-CE2 4.41Å; L171-F175 HydrophobicContact CD2-CB 3.88Å; L171-F175 HydrophobicContact CD2-CD2 3.95Å; L171-F175 HydrophobicContact CD2-CG 4.22Å; L171-F175 HydrophobicContact CG-CD2 3.75Å; L171-F175 HydrophobicContact CG-CE2 4.4Å; L171-F175 HydrophobicContact CG-CG 4.5Å; F175-D177 PolarHBondContact O-N 3.45Å; F175-I178 HydrophobicContact CD1-CD1 3.81Å; F175-I178 HydrophobicContact CE1-CD1 4.28Å
176	K	45	Very low	47	Very low	187 Å²	187	141.3 Å²	141.3	81%	0.813	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-72.3	-9.1	178.5	-120.5	-179.3	-178.1	-179.3	0	114.5	Q174	Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 3.09Å
177	D	43.9	Very low	46.6	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-110.6	9.1	-175.1	-70.8	-40.1	0	0	0	115.6	F175 R179	F175-D177 PolarHBondContact O-N 3.45Å; D177-R179 VanDerWaalsContact C-N 3.26Å; D177-R179 PolarHBondContact O-N 3.44Å
178	I	48.2	Very low	46	Very low	121 Å²	121	135.6 Å²	135.6	62%	0.621	72%	0.716	S	S	*	*			trans	-80.8	83	167.4	-53.9	-177.6	0	0	0	108.1	F175 L180	F175-I178 HydrophobicContact CD1-CD1 3.81Å; F175-I178 HydrophobicContact CE1-CD1 4.28Å; I178-L180 PolarHBondContact O-N 3.15Å; I178-L180 VanDerWaalsContact O-N 3.07Å
179	R	38.7	Very low	45.7	Very low	230 Å²	230	138 Å²	138	87%	0.868	72%	0.72	S	S	*	*			trans	-62.4	106	167	-73.1	-174.1	-176.2	-172.3	1.2	108.6	D177	D177-R179 VanDerWaalsContact C-N 3.26Å; D177-R179 PolarHBondContact O-N 3.44Å
180	L	44.1	Very low	45.3	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	73%	0.732	S	S	*	*			trans	-60.5	128.2	166.5	-73.7	151.6	0	0	0	108.4	I178 D182	I178-L180 PolarHBondContact O-N 3.15Å; I178-L180 VanDerWaalsContact O-N 3.07Å; L180-D182 PolarHBondContact O-N 3.08Å
181	P	44.4	Very low	45.1	Very low	113 Å²	113	147.2 Å²	147.2	73%	0.734	75%	0.749	S	S	*	*			trans	-67.3	130.3	177.6	26.2	-30.6	0	0	0	109.8	L183	P181-L183 PolarHBondContact O-N 2.97Å; P181-L183 VanDerWaalsContact O-N 3.08Å
182	D	43.9	Very low	45.1	Very low	131 Å²	131	149.5 Å²	149.5	70%	0.701	76%	0.76	S	S	*	*			trans	-54.3	109.6	176.5	-110.1	-44.5	0	0	0	110.7	L180 T184	L180-D182 PolarHBondContact O-N 3.08Å; D182-T184 PolarHBondContact O-N 2.79Å
183	L	46.9	Very low	45.1	Very low	140 Å²	140	152.8 Å²	152.8	73%	0.733	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-71.5	10.5	177.4	-81.2	164.5	0	0	0	113.4	P181 S185 L186	P181-L183 PolarHBondContact O-N 2.97Å; P181-L183 VanDerWaalsContact O-N 3.08Å; L183-S185 PolarHBondContact O-N 3.25Å; L183-L186 HydrophobicContact CD2-CD1 3.99Å
184	T	50.3	Low	44.7	Very low	117 Å²	117	150.9 Å²	150.9	72%	0.718	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-74.2	-8.8	176.9	46.1	0	0	0	0	113.5	D182	D182-T184 PolarHBondContact O-N 2.79Å
185	S	50	Low	44.4	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-87.9	-6.2	179	57.3	0	0	0	0	115.5	L183 G187	L183-S185 PolarHBondContact O-N 3.25Å; S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 3.2Å
186	L	42.8	Very low	44.4	Very low	114 Å²	114	151.1 Å²	151.1	60%	0.597	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-89.5	13.2	176.5	-80.5	163.5	0	0	0	114.1	L183 N188 F189	L183-L186 HydrophobicContact CD2-CD1 3.99Å; L186-N188 VanDerWaalsContact C-N 3.32Å; L186-N188 PolarHBondContact O-N 3.05Å; L186-F189 HydrophobicContact CD2-CE2 4.28Å
187	G	46.5	Very low	44.4	Very low	68 Å²	68	148.7 Å²	148.7	70%	0.701	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	7.8	178.4	0	0	0	0	0	116.2	S185	S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 3.2Å
188	N	40.3	Very low	44.4	Very low	145 Å²	145	149.3 Å²	149.3	78%	0.775	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	24.8	-171.6	-111.4	13.2	0	0	0	116.1	L186 K190	L186-N188 VanDerWaalsContact C-N 3.32Å; L186-N188 PolarHBondContact O-N 3.05Å; N188-K190 VanDerWaalsContact C-N 3.31Å; N188-K190 PolarHBondContact O-N 3.22Å; N188-K190 VanDerWaalsContact O-N 3.13Å
189	F	45.4	Very low	44.1	Very low	192 Å²	192	151.5 Å²	151.5	84%	0.842	79%	0.786	S	S	*	*			trans	-82.4	85	160.4	-78.3	-79	0	0	0	109.3	L186	L186-F189 HydrophobicContact CD2-CE2 4.28Å
190	K	39	Very low	44.6	Very low	183 Å²	183	144.9 Å²	144.9	80%	0.796	78%	0.779	S	S	*	*			trans	-85.5	119.1	170.8	-141	179	-175.8	-176.2	0	107.8	N188	N188-K190 VanDerWaalsContact C-N 3.31Å; N188-K190 PolarHBondContact O-N 3.22Å; N188-K190 VanDerWaalsContact O-N 3.13Å
191	F	40.9	Very low	44.6	Very low	277 Å²	277	143.9 Å²	143.9	100%	1.215	78%	0.776	S	S	*	*			trans	18.9	0	163	-60.9	-82	0	0	0	119.2

Retrieved 191 of 191 residues in 129.3 ms (Link to these results)

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