A0A087Y802_POEFO Loading...

SLX1 homolog B, structure-specific endonuclease subunit

Catalytic subunit of the SLX1-SLX4 structure-specific endonuclease that resolves DNA secondary structures generated during DNA repair and recombination. Has endonuclease activity towards branched DNA substrates, introducing single-strand cuts in duplex DNA close to junctions with ss-DNA.

AlphaFold DB , UniProt , Accession A0A087Y802, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.4	Low	79.7	Confident	162 Å²	162	58.1 Å²	58.1	80%	0.798	30%	0.302	S	S	*	.				0	115	0	-134.8	178.4	174.5	0	0	106.6	V3	M1-V3 PolarHBondContact O-N 3.27Å
2	M	61.8	Low	81.3	Confident	155 Å²	155	53.3 Å²	53.3	76%	0.764	28%	0.276	S	S	*	.			trans	-64.7	130.8	178.3	-72.4	-174.8	-94.4	0	0	109.4
3	V	72.9	Confident	82.6	Confident	59 Å²	59	49.3 Å²	49.3	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.3	175.8	-177.6	0	0	0	0	106.6	M1 R155	M1-V3 PolarHBondContact O-N 3.27Å; V3-R155 HydrophobicContact CG1-CB 4.01Å
4	V	79.4	Confident	83.8	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.8	178.6	-178.2	0	0	0	0	109	V6 S153 V154 R155	V4-V6 HydrophobicContact CG1-CG2 4.2Å; V4-S153 PolarHBondContact N-O 3.27Å; V4-S153 VanDerWaalsContact N-O 3.08Å; V4-V154 CarbonylContact O-C 3.6Å; V4-V154 VanDerWaalsContact O-CA 3.32Å; V4-V154 WeakPolarHBondContact O-CA 3.41Å; V4-R155 PolarHBondContact O-N 3.15Å
5	E	80.4	Confident	84.8	Confident	75 Å²	75	42.7 Å²	42.7	35%	0.35	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.1	170.1	-59.6	-161	146.6	0	0	109.7	R155 K157	E5-R155 CarbonylContact C-O 3.56Å; E5-R155 WeakPolarHBondContact CA-O 3.42Å; E5-R155 IonicContact OE1-NH1 3.88Å; E5-K157 HydrophobicContact CB-CB 4.5Å; E5-K157 WeakPolarHBondContact OE2-CD 3.37Å; E5-K157 IonicContact OE2-NZ 3.22Å; E5-K157 PolarHBondContact OE2-NZ 3.27Å
6	V	79.4	Confident	85.6	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.3	177.8	174.8	0	0	0	0	108.9	V4 F9 V154 R155 K157	V4-V6 HydrophobicContact CG1-CG2 4.2Å; V6-F9 HydrophobicContact CB-CD2 3.85Å; V6-F9 HydrophobicContact CG1-CD2 3.81Å; V6-V154 HydrophobicContact CB-CG2 4.44Å; V6-V154 HydrophobicContact CG2-CG2 3.86Å; V6-R155 PolarHBondContact N-O 2.97Å; V6-K157 PolarHBondContact O-N 3.35Å
7	E	82.6	Confident	86.4	Confident	40 Å²	40	39.6 Å²	39.6	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153	176.2	-64.4	-167.4	158.8	0	0	112.5	F9 K157 C242	E7-F9 VanDerWaalsContact C-N 3.28Å; E7-F9 PolarHBondContact O-N 3.31Å; E7-K157 HydrophobicContact CG-CB 4.21Å; E7-K157 HydrophobicContact CG-CD 4.33Å; E7-C242 HydrophobicContact CB-CB 4.11Å; E7-C242 PolarHBondContact OE2-SG 3Å
8	S	83.2	Confident	87	Confident	65 Å²	65	39.8 Å²	39.8	46%	0.455	21%	0.206	S	C	.	.	S	Bend	trans	49.8	47.9	179.5	-56	0	0	0	0	112.9	F10	S8-F10 WeakPolarHBondContact O-CD2 3.47Å; S8-F10 PolarHBondContact O-N 2.96Å
9	F	91.9	Very high	87.5	Confident	9 Å²	9	39.5 Å²	39.5	4%	0.039	21%	0.205	C	C	.	.			trans	-70.3	125.5	-169.5	-171.2	-88.7	0	0	0	113.3	V6 E7 T31 V32 P34 I64 H66 V154 A156	V6-F9 HydrophobicContact CB-CD2 3.85Å; V6-F9 HydrophobicContact CG1-CD2 3.81Å; E7-F9 VanDerWaalsContact C-N 3.28Å; E7-F9 PolarHBondContact O-N 3.31Å; F9-T31 HydrophobicContact CE1-CG2 4.29Å; F9-V32 VanDerWaalsContact O-CA 3.27Å; F9-V32 WeakPolarHBondContact O-CA 3.23Å; F9-V32 WeakPolarHBondContact O-CB 3.39Å; F9-P34 HydrophobicContact CD1-CG 4.18Å; F9-P34 HydrophobicContact CE1-CG 3.45Å; F9-P34 VanDerWaalsContact CE1-CG 3.45Å; F9-P34 HydrophobicContact CZ-CG 3.66Å; F9-I64 HydrophobicContact CE1-CD1 3.84Å; F9-I64 HydrophobicContact CZ-CD1 3.58Å; F9-I64 HydrophobicContact CZ-CG1 4.29Å; F9-H66 HydrophobicContact CD2-CB 4.36Å; F9-H66 HydrophobicContact CE1-CB 4.38Å; F9-H66 HydrophobicContact CE2-CB 3.47Å; F9-H66 VanDerWaalsContact CE2-CB 3.47Å; F9-H66 AromaticContact CE2-CG 3.61Å; F9-H66 AromaticContact CE2-ND1 3.84Å; F9-H66 HydrophobicContact CZ-CB 3.48Å; F9-H66 VanDerWaalsContact CZ-CB 3.48Å; F9-V154 HydrophobicContact CD2-CG2 4.33Å; F9-V154 HydrophobicContact CE2-CG1 4.23Å; F9-V154 HydrophobicContact CE2-CG2 3.67Å; F9-V154 HydrophobicContact CZ-CG1 4.21Å; F9-V154 HydrophobicContact CZ-CG2 4.45Å; F9-A156 HydrophobicContact CB-CB 3.58Å; F9-A156 HydrophobicContact CD1-CB 4.37Å; F9-A156 HydrophobicContact CG-CB 3.98Å
10	F	95.9	Very high	87.9	Confident	49 Å²	49	43.6 Å²	43.6	22%	0.215	23%	0.234	C	C	.	.			trans	-127.5	121.3	165.9	-60.7	-67.5	0	0	0	108.6	S8 F30 V32 H66 G67 F68 D71 A74	S8-F10 WeakPolarHBondContact O-CD2 3.47Å; S8-F10 PolarHBondContact O-N 2.96Å; F10-F30 HydrophobicContact CB-CE2 4.19Å; F10-F30 AromaticContact CD1-CE2 3.98Å; F10-F30 HydrophobicContact CD1-CE2 3.98Å; F10-F30 AromaticContact CD1-CZ 3.87Å; F10-F30 HydrophobicContact CD1-CZ 3.87Å; F10-V32 HydrophobicContact CD1-CG1 3.78Å; F10-V32 HydrophobicContact CE1-CG1 3.9Å; F10-H66 WeakPolarHBondContact O-CA 3.38Å; F10-G67 PolarHBondContact O-N 3.24Å; F10-F68 HydrophobicContact CB-CB 3.94Å; F10-F68 WeakPolarHBondContact CD2-O 3.3Å; F10-D71 HydrophobicContact CD1-CB 4.12Å; F10-D71 HydrophobicContact CE1-CB 3.94Å; F10-A74 HydrophobicContact CB-CB 4.38Å
11	G	97.9	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.8	-177.9	0	0	0	0	0	113.8	F30 T31 I65	G11-F30 CarbonylContact O-C 3.54Å; G11-F30 WeakPolarHBondContact O-CA 3.4Å; G11-F30 WeakPolarHBondContact O-CD2 3.33Å; G11-T31 PolarHBondContact N-O 3.38Å; G11-T31 PolarHBondContact O-N 3.3Å; G11-I65 CarbonylContact C-O 3.16Å; G11-I65 WeakPolarHBondContact CA-O 3.44Å
12	V	98.8	Very high	90.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.6	171	-175.4	0	0	0	0	108.1	I28 G29 I65 F68 A74 F77 E78 W81	V12-I28 HydrophobicContact CG1-CG2 3.84Å; V12-G29 CarbonylContact C-O 3.32Å; V12-G29 VanDerWaalsContact CA-O 3.29Å; V12-G29 WeakPolarHBondContact CA-O 3.43Å; V12-I65 PolarHBondContact N-O 2.94Å; V12-I65 PolarHBondContact O-N 3.33Å; V12-F68 HydrophobicContact CB-CE2 4.22Å; V12-F68 HydrophobicContact CG2-CD2 4.44Å; V12-F68 HydrophobicContact CG2-CE2 3.73Å; V12-F68 HydrophobicContact CG2-CZ 4.06Å; V12-A74 HydrophobicContact CG2-CB 4.04Å; V12-A74 VanDerWaalsContact CG2-O 3.22Å; V12-A74 WeakPolarHBondContact CG2-O 3.37Å; V12-F77 HydrophobicContact CB-CD1 4.11Å; V12-F77 HydrophobicContact CG1-CD1 4.13Å; V12-F77 HydrophobicContact CG2-CB 4.38Å; V12-F77 HydrophobicContact CG2-CD1 4.12Å; V12-E78 HydrophobicContact CG1-CB 3.81Å; V12-E78 HydrophobicContact CG1-CG 4.12Å; V12-E78 HydrophobicContact CG2-CB 4.08Å; V12-W81 HydrophobicContact CG1-CE3 3.68Å; V12-W81 HydrophobicContact CG1-CZ3 3.98Å
13	Y	98.8	Very high	92	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156.5	-171.3	61.3	-91.4	0	0	0	112.6	L15 Y27 I28 G29 T31 R37 H41 M61 L63	Y13-L15 HydrophobicContact CD2-CD2 3.57Å; Y13-L15 HydrophobicContact CD2-CG 3.74Å; Y13-L15 HydrophobicContact CE2-CD1 3.95Å; Y13-L15 HydrophobicContact CE2-CD2 3.71Å; Y13-L15 HydrophobicContact CE2-CG 3.61Å; Y13-Y27 HydrophobicContact CE2-CD1 4.15Å; Y13-Y27 HydrophobicContact CE2-CE1 4.21Å; Y13-I28 VanDerWaalsContact O-CA 3.3Å; Y13-I28 WeakPolarHBondContact O-CA 3.25Å; Y13-G29 WeakPolarHBondContact CD1-O 3.42Å; Y13-G29 VanDerWaalsContact CE1-O 3.26Å; Y13-G29 WeakPolarHBondContact CE1-O 3.47Å; Y13-G29 PolarHBondContact N-O 2.81Å; Y13-G29 PolarHBondContact O-N 3.14Å; Y13-T31 HydrophobicContact CD1-CG2 3.74Å; Y13-T31 HydrophobicContact CE1-CG2 3.97Å; Y13-R37 HydrophobicContact CE1-CG 3.75Å; Y13-R37 WeakPolarHBondContact OH-CD 3.45Å; Y13-R37 VanDerWaalsContact OH-CG 3.23Å; Y13-R37 WeakPolarHBondContact OH-CG 3.4Å; Y13-H41 AromaticContact CE2-NE2 3.74Å; Y13-H41 AromaticContact CZ-NE2 3.6Å; Y13-H41 PolarHBondContact OH-NE2 3.35Å; Y13-M61 VanDerWaalsContact CB-SD 3.6Å; Y13-M61 HydrophobicContact CD1-CE 3.97Å; Y13-M61 HydrophobicContact CD2-CE 3.78Å; Y13-M61 HydrophobicContact CD2-CG 4.21Å; Y13-M61 HydrophobicContact CD2-SD 4.41Å; Y13-M61 HydrophobicContact CE1-CE 4.43Å; Y13-M61 HydrophobicContact CE2-CE 4.25Å; Y13-M61 HydrophobicContact CG-CE 3.62Å; Y13-M61 HydrophobicContact CG-CG 4.21Å; Y13-M61 HydrophobicContact CG-SD 3.96Å; Y13-L63 CarbonylContact C-O 3.57Å; Y13-L63 VanDerWaalsContact CA-O 3.29Å; Y13-L63 WeakPolarHBondContact CA-O 3.5Å
14	M	98.8	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.1	170.2	-178.4	166	62.5	0	0	109.5	I26 I28 V62 L63 W81 L103 H106 W128	M14-I26 HydrophobicContact CG-CD1 4.26Å; M14-I26 HydrophobicContact CG-CG2 3.73Å; M14-I26 HydrophobicContact SD-CD1 4.26Å; M14-I26 HydrophobicContact SD-CG2 4.04Å; M14-I28 HydrophobicContact CB-CD1 3.67Å; M14-I28 HydrophobicContact CG-CD1 3.63Å; M14-I28 HydrophobicContact SD-CD1 4.17Å; M14-V62 HydrophobicContact CB-CG2 4.34Å; M14-V62 HydrophobicContact CE-CG2 3.83Å; M14-V62 HydrophobicContact CG-CG2 4.12Å; M14-V62 WeakPolarHBondContact O-CG2 3.36Å; M14-V62 PolarHBondContact O-N 3.14Å; M14-L63 HydrophobicContact CB-CB 4.24Å; M14-L63 HydrophobicContact CE-CB 3.94Å; M14-L63 HydrophobicContact CE-CD2 3.92Å; M14-L63 PolarHBondContact N-O 3.41Å; M14-W81 HydrophobicContact CB-CH2 3.84Å; M14-W81 HydrophobicContact CB-CZ2 4.03Å; M14-W81 HydrophobicContact SD-CZ2 4.04Å; M14-L103 HydrophobicContact CE-CD1 3.4Å; M14-L103 VanDerWaalsContact CE-CD1 3.4Å; M14-L103 HydrophobicContact SD-CD1 3.95Å; M14-H106 HydrophobicContact SD-CB 3.67Å; M14-W128 HydrophobicContact CE-CZ3 4.44Å
15	L	98.6	Very high	94	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145	169	-53.1	-178.3	0	0	0	110.9	Y13 I26 Y27 I38 H41 T53 W59 E60 M61	Y13-L15 HydrophobicContact CD2-CD2 3.57Å; Y13-L15 HydrophobicContact CD2-CG 3.74Å; Y13-L15 HydrophobicContact CE2-CD1 3.95Å; Y13-L15 HydrophobicContact CE2-CD2 3.71Å; Y13-L15 HydrophobicContact CE2-CG 3.61Å; L15-I26 VanDerWaalsContact O-CA 3.3Å; L15-I26 WeakPolarHBondContact O-CA 3.45Å; L15-I26 WeakPolarHBondContact O-CD1 3.35Å; L15-Y27 HydrophobicContact CD1-CD1 3.81Å; L15-Y27 HydrophobicContact CD1-CG 4.33Å; L15-Y27 HydrophobicContact CG-CD1 4.19Å; L15-Y27 PolarHBondContact N-O 2.88Å; L15-Y27 PolarHBondContact O-N 3.16Å; L15-Y27 VanDerWaalsContact O-N 3.14Å; L15-I38 HydrophobicContact CD2-CD1 3.71Å; L15-H41 HydrophobicContact CD1-CB 4.17Å; L15-T53 HydrophobicContact CD1-CG2 4.39Å; L15-W59 HydrophobicContact CB-CE3 3.78Å; L15-W59 HydrophobicContact CB-CZ3 4.42Å; L15-W59 HydrophobicContact CD1-CB 4.26Å; L15-W59 HydrophobicContact CD1-CD2 4.44Å; L15-W59 HydrophobicContact CD1-CE3 4.32Å; L15-W59 HydrophobicContact CD1-CG 4.43Å; L15-E60 CarbonylContact C-O 3.6Å; L15-E60 WeakPolarHBondContact CA-O 3.31Å; L15-M61 HydrophobicContact CD2-CB 3.71Å; L15-M61 HydrophobicContact CD2-CE 4.33Å; L15-M61 HydrophobicContact CD2-CG 3.97Å
16	Y	98.5	Very high	94.8	Very high	33 Å²	33	43 Å²	43	13%	0.129	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.6	169.5	-173.9	-86.4	0	0	0	109.5	T18 I26 W59 E60 L103 Y133	Y16-T18 HydrophobicContact CD1-CG2 3.97Å; Y16-T18 HydrophobicContact CE1-CG2 4.26Å; Y16-I26 HydrophobicContact CD2-CD1 3.79Å; Y16-W59 WeakPolarHBondContact O-CA 3.42Å; Y16-E60 PolarHBondContact N-O 3.2Å; Y16-E60 PolarHBondContact O-N 3.35Å; Y16-L103 HydrophobicContact CD2-CB 4.44Å; Y16-L103 HydrophobicContact CD2-CD1 4.41Å; Y16-L103 HydrophobicContact CD2-CD2 4.34Å; Y16-L103 HydrophobicContact CE2-CB 4.38Å; Y16-L103 HydrophobicContact CE2-CD2 4.31Å; Y16-Y133 HydrophobicContact CD1-CD1 4.48Å; Y16-Y133 AromaticContact CD1-CE1 3.46Å; Y16-Y133 HydrophobicContact CD1-CE1 3.46Å; Y16-Y133 VanDerWaalsContact CD1-CE1 3.46Å; Y16-Y133 AromaticContact CD1-CZ 3.78Å; Y16-Y133 WeakPolarHBondContact CD1-OH 3.33Å; Y16-Y133 HydrophobicContact CD2-CD1 4.27Å; Y16-Y133 AromaticContact CD2-CE1 3.95Å; Y16-Y133 HydrophobicContact CD2-CE1 3.95Å; Y16-Y133 AromaticContact CE1-CE1 3.65Å; Y16-Y133 HydrophobicContact CE1-CE1 3.65Å; Y16-Y133 HydrophobicContact CE2-CE1 4.11Å; Y16-Y133 HydrophobicContact CG-CD1 4.25Å; Y16-Y133 AromaticContact CG-CE1 3.62Å; Y16-Y133 HydrophobicContact CG-CE1 3.62Å; Y16-Y133 AromaticContact CZ-CE1 3.97Å
17	C	98.1	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.8	176	-172.3	0	0	0	0	110.9	F22 K23 G24 R25 R56 W59	C17-F22 WeakPolarHBondContact CB-O 3.34Å; C17-K23 WeakPolarHBondContact O-CA 3.31Å; C17-G24 PolarHBondContact O-N 2.91Å; C17-R25 HydrophobicContact CB-CB 3.95Å; C17-R25 PolarHBondContact N-O 3.29Å; C17-R56 PolarHBondContact SG-O 3.36Å; C17-W59 HydrophobicContact CB-CD2 4.22Å; C17-W59 HydrophobicContact CB-CE3 3.73Å; C17-W59 HydrophobicContact CB-CH2 3.91Å; C17-W59 HydrophobicContact CB-CZ2 4.35Å; C17-W59 HydrophobicContact CB-CZ3 3.59Å
18	T	97	Very high	96.5	Very high	42 Å²	42	43.1 Å²	43.1	26%	0.258	22%	0.216	S	C	.	.			trans	-97.9	-9.6	178.4	53.4	0	0	0	0	113.2	Y16 P58 E60 Y133	Y16-T18 HydrophobicContact CD1-CG2 3.97Å; Y16-T18 HydrophobicContact CE1-CG2 4.26Å; T18-P58 PolarHBondContact N-O 2.9Å; T18-P58 VanDerWaalsContact N-O 3.1Å; T18-P58 PolarHBondContact OG1-O 3.37Å; T18-E60 HydrophobicContact CG2-CG 4.05Å; T18-Y133 VanDerWaalsContact CG2-OH 3.29Å; T18-Y133 WeakPolarHBondContact CG2-OH 3.45Å
19	N	96.4	Very high	97.2	Very high	35 Å²	35	40 Å²	40	19%	0.187	19%	0.194	C	C	.	.			trans	-55.8	124.8	174.2	-176.3	-41.8	0	0	0	110.9	K21 F22 K23 R56 G57	N19-K21 PolarHBondContact O-N 3.47Å; N19-K21 VanDerWaalsContact O-N 3.09Å; N19-K21 WeakPolarHBondContact OD1-CB 3.23Å; N19-K21 PolarHBondContact OD1-N 3.29Å; N19-F22 HydrophobicContact CB-CB 4.44Å; N19-F22 HydrophobicContact CB-CD2 4.49Å; N19-F22 CarbonylContact O-C 3.47Å; N19-F22 VanDerWaalsContact O-C 3.32Å; N19-F22 PolarHBondContact O-N 3.18Å; N19-K23 VanDerWaalsContact O-CA 3.29Å; N19-K23 WeakPolarHBondContact O-CA 3.41Å; N19-K23 WeakPolarHBondContact O-CB 3.44Å; N19-K23 PolarHBondContact O-N 3.05Å; N19-R56 WeakPolarHBondContact CB-O 3.41Å; N19-G57 WeakPolarHBondContact CB-O 3.25Å; N19-G57 PolarHBondContact ND2-O 3.05Å
20	P	96.4	Very high	97.5	Very high	120 Å²	120	41.4 Å²	41.4	78%	0.779	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-51.7	-37.1	-178.4	-29.4	35.7	0	0	0	114.7	F22	P20-F22 VanDerWaalsContact C-N 3.31Å; P20-F22 PolarHBondContact O-N 3.43Å
21	K	96.6	Very high	97.6	Very high	167 Å²	167	39 Å²	39	73%	0.726	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-70.7	-26.1	179.2	-174.4	173.3	-178.9	171.3	0	113.2	N19	N19-K21 PolarHBondContact O-N 3.47Å; N19-K21 VanDerWaalsContact O-N 3.09Å; N19-K21 WeakPolarHBondContact OD1-CB 3.23Å; N19-K21 PolarHBondContact OD1-N 3.29Å
22	F	95.4	Very high	97.6	Very high	39 Å²	39	41.9 Å²	41.9	17%	0.171	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-126.2	17.8	-173.2	-59.4	-59.3	0	0	0	112.6	C17 N19 P20 G24 R25 R56	C17-F22 WeakPolarHBondContact CB-O 3.34Å; N19-F22 HydrophobicContact CB-CB 4.44Å; N19-F22 HydrophobicContact CB-CD2 4.49Å; N19-F22 CarbonylContact O-C 3.47Å; N19-F22 VanDerWaalsContact O-C 3.32Å; N19-F22 PolarHBondContact O-N 3.18Å; P20-F22 VanDerWaalsContact C-N 3.31Å; P20-F22 PolarHBondContact O-N 3.43Å; F22-G24 PolarHBondContact O-N 3.41Å; F22-R25 WeakPolarHBondContact O-CB 3.25Å; F22-R25 VanDerWaalsContact O-CG 3.25Å; F22-R25 WeakPolarHBondContact O-CG 3.4Å; F22-R25 PolarHBondContact O-N 2.84Å; F22-R56 HydrophobicContact CD2-CB 3.83Å; F22-R56 HydrophobicContact CD2-CG 3.97Å; F22-R56 HydrophobicContact CE2-CB 4.16Å; F22-R56 HydrophobicContact CE2-CG 3.87Å; F22-R56 HydrophobicContact CG-CB 4.28Å; F22-R56 HydrophobicContact CG-CG 4.35Å; F22-R56 HydrophobicContact CZ-CG 4.16Å
23	K	95.8	Very high	97.4	Very high	148 Å²	148	43.8 Å²	43.8	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.3	-171	-170.9	174	179.6	177.6	0	110.7	C17 N19 R25	C17-K23 WeakPolarHBondContact O-CA 3.31Å; N19-K23 VanDerWaalsContact O-CA 3.29Å; N19-K23 WeakPolarHBondContact O-CA 3.41Å; N19-K23 WeakPolarHBondContact O-CB 3.44Å; N19-K23 PolarHBondContact O-N 3.05Å; K23-R25 VanDerWaalsContact C-N 3.28Å; K23-R25 PolarHBondContact O-N 3.16Å
24	G	95.9	Very high	97.3	Very high	21 Å²	21	44 Å²	44	22%	0.216	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.5	178.4	0	0	0	0	0	115.2	C17 F22	C17-G24 PolarHBondContact O-N 2.91Å; F22-G24 PolarHBondContact O-N 3.41Å
25	R	97.2	Very high	97.1	Very high	106 Å²	106	48.1 Å²	48.1	40%	0.4	24%	0.238	S	C	.	.			trans	-68	136.7	170.8	-73.7	-172.4	-174.9	-156.3	-2.5	110.7	C17 F22 K23 W59	C17-R25 HydrophobicContact CB-CB 3.95Å; C17-R25 PolarHBondContact N-O 3.29Å; F22-R25 WeakPolarHBondContact O-CB 3.25Å; F22-R25 VanDerWaalsContact O-CG 3.25Å; F22-R25 WeakPolarHBondContact O-CG 3.4Å; F22-R25 PolarHBondContact O-N 2.84Å; K23-R25 VanDerWaalsContact C-N 3.28Å; K23-R25 PolarHBondContact O-N 3.16Å; R25-W59 HydrophobicContact CB-CH2 4.1Å; R25-W59 HydrophobicContact CB-CZ3 4.34Å
26	I	98.2	Very high	97	Very high	22 Å²	22	54.1 Å²	54.1	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.2	177.4	-60.6	-60	0	0	0	110.6	M14 L15 Y16 I28 S102 L103 H106	M14-I26 HydrophobicContact CG-CD1 4.26Å; M14-I26 HydrophobicContact CG-CG2 3.73Å; M14-I26 HydrophobicContact SD-CD1 4.26Å; M14-I26 HydrophobicContact SD-CG2 4.04Å; L15-I26 VanDerWaalsContact O-CA 3.3Å; L15-I26 WeakPolarHBondContact O-CA 3.45Å; L15-I26 WeakPolarHBondContact O-CD1 3.35Å; Y16-I26 HydrophobicContact CD2-CD1 3.79Å; I26-I28 HydrophobicContact CG2-CD1 3.75Å; I26-I28 HydrophobicContact CG2-CG1 4.32Å; I26-S102 WeakPolarHBondContact CG1-OG 3.49Å; I26-L103 HydrophobicContact CD1-CB 4.21Å; I26-L103 HydrophobicContact CD1-CD1 4.04Å; I26-H106 HydrophobicContact CG2-CB 4.37Å
27	Y	98.4	Very high	96.9	Very high	42 Å²	42	55.5 Å²	55.5	17%	0.165	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.8	166.4	177.3	-84.7	0	0	0	109.3	Y13 L15 H41 A50 R52 T53	Y13-Y27 HydrophobicContact CE2-CD1 4.15Å; Y13-Y27 HydrophobicContact CE2-CE1 4.21Å; L15-Y27 HydrophobicContact CD1-CD1 3.81Å; L15-Y27 HydrophobicContact CD1-CG 4.33Å; L15-Y27 HydrophobicContact CG-CD1 4.19Å; L15-Y27 PolarHBondContact N-O 2.88Å; L15-Y27 PolarHBondContact O-N 3.16Å; L15-Y27 VanDerWaalsContact O-N 3.14Å; Y27-H41 AromaticContact CD1-CE1 3.85Å; Y27-H41 AromaticContact CE1-CE1 3.44Å; Y27-H41 VanDerWaalsContact CE1-CE1 3.44Å; Y27-H41 WeakPolarHBondContact CE1-CE1 3.48Å; Y27-H41 AromaticContact CE1-NE2 3.79Å; Y27-H41 AromaticContact CZ-CE1 3.89Å; Y27-A50 HydrophobicContact CE1-CB 4.46Å; Y27-A50 HydrophobicContact CE2-CB 3.75Å; Y27-A50 VanDerWaalsContact OH-CB 3.27Å; Y27-A50 WeakPolarHBondContact OH-CB 3.45Å; Y27-R52 HydrophobicContact CD2-CB 4.21Å; Y27-R52 HydrophobicContact CE2-CB 4.14Å; Y27-T53 HydrophobicContact CD1-CG2 4.12Å; Y27-T53 HydrophobicContact CD2-CG2 3.52Å; Y27-T53 HydrophobicContact CE2-CG2 4.03Å; Y27-T53 HydrophobicContact CG-CG2 3.58Å
28	I	98.8	Very high	96.9	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.8	174	-53.1	-54.3	0	0	0	108.5	V12 Y13 M14 I26 E78 W81 Q82	V12-I28 HydrophobicContact CG1-CG2 3.84Å; Y13-I28 VanDerWaalsContact O-CA 3.3Å; Y13-I28 WeakPolarHBondContact O-CA 3.25Å; M14-I28 HydrophobicContact CB-CD1 3.67Å; M14-I28 HydrophobicContact CG-CD1 3.63Å; M14-I28 HydrophobicContact SD-CD1 4.17Å; I26-I28 HydrophobicContact CG2-CD1 3.75Å; I26-I28 HydrophobicContact CG2-CG1 4.32Å; I28-E78 HydrophobicContact CG2-CG 4.21Å; I28-W81 HydrophobicContact CD1-CD2 3.92Å; I28-W81 HydrophobicContact CD1-CE3 4.32Å; I28-W81 HydrophobicContact CD1-CG 4.43Å; I28-W81 HydrophobicContact CD1-CH2 4.27Å; I28-W81 HydrophobicContact CD1-CZ2 3.86Å; I28-W81 HydrophobicContact CD1-CZ3 4.49Å; I28-W81 HydrophobicContact CG1-CD2 4.13Å; I28-W81 HydrophobicContact CG1-CG 4.19Å; I28-W81 HydrophobicContact CG2-CB 4.16Å; I28-W81 HydrophobicContact CG2-CD2 3.8Å; I28-W81 HydrophobicContact CG2-CE3 3.62Å; I28-W81 HydrophobicContact CG2-CG 4.05Å; I28-W81 HydrophobicContact CG2-CZ3 4.33Å; I28-Q82 HydrophobicContact CB-CG 3.84Å; I28-Q82 HydrophobicContact CG2-CG 4.22Å; I28-Q82 PolarHBondContact O-NE2 3.48Å
29	G	98.5	Very high	96.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	169.5	177.5	0	0	0	0	0	113.9	V12 Y13 E78	V12-G29 CarbonylContact C-O 3.32Å; V12-G29 VanDerWaalsContact CA-O 3.29Å; V12-G29 WeakPolarHBondContact CA-O 3.43Å; Y13-G29 WeakPolarHBondContact CD1-O 3.42Å; Y13-G29 VanDerWaalsContact CE1-O 3.26Å; Y13-G29 WeakPolarHBondContact CE1-O 3.47Å; Y13-G29 PolarHBondContact N-O 2.81Å; Y13-G29 PolarHBondContact O-N 3.14Å; G29-E78 WeakPolarHBondContact CA-OE1 3.37Å
30	F	98.5	Very high	96.9	Very high	37 Å²	37	57.6 Å²	57.6	16%	0.162	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.7	175.8	162.7	-100.6	0	0	0	112.6	F10 G11 V32 R37 D71 A74 L75	F10-F30 HydrophobicContact CB-CE2 4.19Å; F10-F30 AromaticContact CD1-CE2 3.98Å; F10-F30 HydrophobicContact CD1-CE2 3.98Å; F10-F30 AromaticContact CD1-CZ 3.87Å; F10-F30 HydrophobicContact CD1-CZ 3.87Å; G11-F30 CarbonylContact O-C 3.54Å; G11-F30 WeakPolarHBondContact O-CA 3.4Å; G11-F30 WeakPolarHBondContact O-CD2 3.33Å; F30-V32 HydrophobicContact CE1-CG1 4.26Å; F30-V32 HydrophobicContact CZ-CG1 3.73Å; F30-R37 PolarHBondContact O-NH2 2.91Å; F30-D71 HydrophobicContact CZ-CB 3.97Å; F30-A74 HydrophobicContact CD2-CB 3.6Å; F30-A74 HydrophobicContact CE2-CB 3.64Å; F30-L75 HydrophobicContact CB-CD2 3.99Å; F30-L75 HydrophobicContact CD1-CD2 3.95Å; F30-L75 HydrophobicContact CD1-CG 4.48Å; F30-L75 HydrophobicContact CG-CD2 3.99Å; F30-L75 HydrophobicContact CG-CG 4.46Å
31	T	97.7	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.5	174.1	-163.4	0	0	0	0	113.7	F9 G11 Y13 N33 P34 R37 I64	F9-T31 HydrophobicContact CE1-CG2 4.29Å; G11-T31 PolarHBondContact N-O 3.38Å; G11-T31 PolarHBondContact O-N 3.3Å; Y13-T31 HydrophobicContact CD1-CG2 3.74Å; Y13-T31 HydrophobicContact CE1-CG2 3.97Å; T31-N33 VanDerWaalsContact OG1-C 3.25Å; T31-N33 PolarHBondContact OG1-N 3.45Å; T31-N33 PolarHBondContact OG1-O 3.01Å; T31-P34 HydrophobicContact CG2-CB 4.35Å; T31-P34 HydrophobicContact CG2-CG 3.97Å; T31-R37 HydrophobicContact CG2-CB 4.49Å; T31-R37 WeakPolarHBondContact OG1-CB 3.26Å; T31-I64 HydrophobicContact CG2-CD1 4.25Å
32	V	96.6	Very high	97	Very high	60 Å²	60	47.7 Å²	47.7	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-101	-4.9	165.3	-60.1	0	0	0	0	112.6	F9 F10 F30 A156	F9-V32 VanDerWaalsContact O-CA 3.27Å; F9-V32 WeakPolarHBondContact O-CA 3.23Å; F9-V32 WeakPolarHBondContact O-CB 3.39Å; F10-V32 HydrophobicContact CD1-CG1 3.78Å; F10-V32 HydrophobicContact CE1-CG1 3.9Å; F30-V32 HydrophobicContact CE1-CG1 4.26Å; F30-V32 HydrophobicContact CZ-CG1 3.73Å; V32-A156 WeakPolarHBondContact O-CB 3.4Å
33	N	96.2	Very high	96.9	Very high	39 Å²	39	48.1 Å²	48.1	21%	0.209	24%	0.242	C	C	.	.			trans	-150.5	98.6	178.6	-174.1	-46.3	0	0	0	109.2	T31 E35 R36 R37 A156	T31-N33 VanDerWaalsContact OG1-C 3.25Å; T31-N33 PolarHBondContact OG1-N 3.45Å; T31-N33 PolarHBondContact OG1-O 3.01Å; N33-E35 PolarHBondContact OD1-N 3.05Å; N33-R36 HydrophobicContact CB-CB 4.15Å; N33-R36 VanDerWaalsContact OD1-CB 3.3Å; N33-R36 WeakPolarHBondContact OD1-CB 3.47Å; N33-R36 PolarHBondContact OD1-N 3.38Å; N33-R37 VanDerWaalsContact O-CB 3.27Å; N33-R37 WeakPolarHBondContact O-CB 3.47Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 VanDerWaalsContact O-N 3.1Å; N33-A156 HydrophobicContact CB-CB 4.5Å
34	P	96	Very high	96.8	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-46.1	-176.6	-26.8	37	0	0	0	114	F9 T31 R36 R37 I38 M61 I64 V154	F9-P34 HydrophobicContact CD1-CG 4.18Å; F9-P34 HydrophobicContact CE1-CG 3.45Å; F9-P34 VanDerWaalsContact CE1-CG 3.45Å; F9-P34 HydrophobicContact CZ-CG 3.66Å; T31-P34 HydrophobicContact CG2-CB 4.35Å; T31-P34 HydrophobicContact CG2-CG 3.97Å; P34-R36 PolarHBondContact O-N 3.48Å; P34-R37 PolarHBondContact O-N 2.96Å; P34-R37 VanDerWaalsContact O-N 3.16Å; P34-I38 PolarHBondContact O-N 3.44Å; P34-M61 HydrophobicContact CB-CE 4.24Å; P34-M61 HydrophobicContact CB-SD 4.02Å; P34-I64 HydrophobicContact CB-CD1 4.18Å; P34-I64 HydrophobicContact CG-CD1 3.68Å; P34-V154 HydrophobicContact CG-CG1 4.22Å
35	E	94.9	Very high	96.7	Very high	87 Å²	87	47.6 Å²	47.6	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-48.2	-178.9	-67.3	177	155.7	0	0	111.5	N33 R37 I38 G39 R155	N33-E35 PolarHBondContact OD1-N 3.05Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.34Å; E35-I38 VanDerWaalsContact O-CG2 3.25Å; E35-I38 WeakPolarHBondContact O-CG2 3.29Å; E35-G39 PolarHBondContact O-N 3.36Å; E35-R155 IonicContact OE1-CZ 3Å; E35-R155 IonicContact OE1-NE 2.79Å; E35-R155 PolarHBondContact OE1-NE 3.31Å; E35-R155 IonicContact OE1-NH2 3.34Å; E35-R155 PolarHBondContact OE1-NH2 2.71Å; E35-R155 IonicContact OE2-NE 3.22Å; E35-R155 PolarHBondContact OE2-NE 3.43Å
36	R	95.7	Very high	96.4	Very high	126 Å²	126	49.8 Å²	49.8	48%	0.475	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-43.7	175.7	-172.9	-179	73.1	-146.1	3	111.2	N33 P34 G39 Q40	N33-R36 HydrophobicContact CB-CB 4.15Å; N33-R36 VanDerWaalsContact OD1-CB 3.3Å; N33-R36 WeakPolarHBondContact OD1-CB 3.47Å; N33-R36 PolarHBondContact OD1-N 3.38Å; P34-R36 PolarHBondContact O-N 3.48Å; R36-G39 PolarHBondContact O-N 3.28Å; R36-Q40 WeakPolarHBondContact O-CG 3.48Å; R36-Q40 PolarHBondContact O-N 2.99Å
37	R	97.4	Very high	96.2	Very high	63 Å²	63	56.9 Å²	56.9	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-40.6	-172.5	-177.2	64.5	71.2	163.7	11.4	112.6	Y13 F30 T31 N33 P34 E35 G39 Q40 H41	Y13-R37 HydrophobicContact CE1-CG 3.75Å; Y13-R37 WeakPolarHBondContact OH-CD 3.45Å; Y13-R37 VanDerWaalsContact OH-CG 3.23Å; Y13-R37 WeakPolarHBondContact OH-CG 3.4Å; F30-R37 PolarHBondContact O-NH2 2.91Å; T31-R37 HydrophobicContact CG2-CB 4.49Å; T31-R37 WeakPolarHBondContact OG1-CB 3.26Å; N33-R37 VanDerWaalsContact O-CB 3.27Å; N33-R37 WeakPolarHBondContact O-CB 3.47Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 VanDerWaalsContact O-N 3.1Å; P34-R37 PolarHBondContact O-N 2.96Å; P34-R37 VanDerWaalsContact O-N 3.16Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.34Å; R37-G39 VanDerWaalsContact C-N 3.31Å; R37-G39 PolarHBondContact O-N 3.4Å; R37-Q40 PolarHBondContact O-N 2.89Å; R37-H41 PolarHBondContact O-CD2 3.07Å; R37-H41 PolarHBondContact O-N 3.47Å; R37-H41 VanDerWaalsContact O-N 3.12Å
38	I	97.2	Very high	95.9	Very high	39 Å²	39	56.8 Å²	56.8	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-38.9	176.7	-170.8	57.7	0	0	0	111.3	L15 P34 E35 Q40 H41 N42 W59 M61	L15-I38 HydrophobicContact CD2-CD1 3.71Å; P34-I38 PolarHBondContact O-N 3.44Å; E35-I38 VanDerWaalsContact O-CG2 3.25Å; E35-I38 WeakPolarHBondContact O-CG2 3.29Å; I38-Q40 PolarHBondContact O-N 3.5Å; I38-H41 PolarHBondContact O-N 2.73Å; I38-N42 PolarHBondContact O-N 3.16Å; I38-N42 VanDerWaalsContact O-N 3.16Å; I38-W59 HydrophobicContact CD1-CB 4.25Å; I38-W59 WeakPolarHBondContact CD1-O 3.41Å; I38-M61 HydrophobicContact CB-CE 4.34Å; I38-M61 HydrophobicContact CD1-CB 4.23Å
39	G	96.8	Very high	95.6	Very high	39 Å²	39	56.9 Å²	56.9	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-45.1	172.8	0	0	0	0	0	112.6	E35 R36 R37 H41 N42 A43	E35-G39 PolarHBondContact O-N 3.36Å; R36-G39 PolarHBondContact O-N 3.28Å; R37-G39 VanDerWaalsContact C-N 3.31Å; R37-G39 PolarHBondContact O-N 3.4Å; G39-H41 VanDerWaalsContact C-N 3.34Å; G39-H41 PolarHBondContact O-N 2.8Å; G39-N42 PolarHBondContact O-N 3.4Å; G39-A43 WeakPolarHBondContact O-CB 3.35Å; G39-A43 PolarHBondContact O-N 2.78Å
40	Q	96.9	Very high	95.3	Very high	43 Å²	43	57.9 Å²	57.9	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176.4	-68.7	177.6	-34.6	0	0	112.7	R36 R37 I38 G44 R47 G49	R36-Q40 WeakPolarHBondContact O-CG 3.48Å; R36-Q40 PolarHBondContact O-N 2.99Å; R37-Q40 PolarHBondContact O-N 2.89Å; I38-Q40 PolarHBondContact O-N 3.5Å; Q40-G44 PolarHBondContact O-N 3.31Å; Q40-R47 WeakPolarHBondContact CG-O 3.39Å; Q40-G49 VanDerWaalsContact O-CA 3.24Å; Q40-G49 WeakPolarHBondContact O-CA 3.3Å; Q40-G49 PolarHBondContact O-N 2.89Å
41	H	97.1	Very high	95.1	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-42	177.7	-80.1	-69.1	0	0	0	112.8	Y13 L15 Y27 R37 I38 G39 G44 T53	Y13-H41 AromaticContact CE2-NE2 3.74Å; Y13-H41 AromaticContact CZ-NE2 3.6Å; Y13-H41 PolarHBondContact OH-NE2 3.35Å; L15-H41 HydrophobicContact CD1-CB 4.17Å; Y27-H41 AromaticContact CD1-CE1 3.85Å; Y27-H41 AromaticContact CE1-CE1 3.44Å; Y27-H41 VanDerWaalsContact CE1-CE1 3.44Å; Y27-H41 WeakPolarHBondContact CE1-CE1 3.48Å; Y27-H41 AromaticContact CE1-NE2 3.79Å; Y27-H41 AromaticContact CZ-CE1 3.89Å; R37-H41 PolarHBondContact O-CD2 3.07Å; R37-H41 PolarHBondContact O-N 3.47Å; R37-H41 VanDerWaalsContact O-N 3.12Å; I38-H41 PolarHBondContact O-N 2.73Å; G39-H41 VanDerWaalsContact C-N 3.34Å; G39-H41 PolarHBondContact O-N 2.8Å; H41-G44 PolarHBondContact O-N 3.08Å; H41-T53 WeakPolarHBondContact ND1-CG2 3.36Å; H41-T53 PolarHBondContact ND1-OG1 2.98Å
42	N	97	Very high	94.9	Very high	75 Å²	75	72.1 Å²	72.1	40%	0.401	35%	0.35	S	S	.	.	H	α-helix	trans	-76.5	-29.8	-179.3	-74.5	-29.3	0	0	0	113	I38 G39 G44 W59	I38-N42 PolarHBondContact O-N 3.16Å; I38-N42 VanDerWaalsContact O-N 3.16Å; G39-N42 PolarHBondContact O-N 3.4Å; N42-G44 VanDerWaalsContact C-N 3.34Å; N42-W59 PolarHBondContact ND2-O 2.9Å; N42-W59 WeakPolarHBondContact OD1-CB 3.36Å; N42-W59 PolarHBondContact OD1-N 2.91Å
43	A	95.1	Very high	94.7	Very high	49 Å²	49	69.3 Å²	69.3	41%	0.405	33%	0.333	S	S	.	.	H	α-helix	trans	-78	-18	173.6	0	0	0	0	0	113.4	G39 H46 R47	G39-A43 WeakPolarHBondContact O-CB 3.35Å; G39-A43 PolarHBondContact O-N 2.78Å; A43-H46 PolarHBondContact O-CE1 2.99Å; A43-R47 HydrophobicContact CB-CB 3.78Å; A43-R47 HydrophobicContact CB-CG 3.79Å
44	G	93.6	Very high	94.6	Very high	5 Å²	5	69.5 Å²	69.5	5%	0.052	34%	0.338	C	S	.	.			trans	92.7	179.6	174.1	0	0	0	0	0	114.9	Q40 H41 N42 H46 R47 G49	Q40-G44 PolarHBondContact O-N 3.31Å; H41-G44 PolarHBondContact O-N 3.08Å; N42-G44 VanDerWaalsContact C-N 3.34Å; G44-H46 VanDerWaalsContact C-N 3.3Å; G44-H46 PolarHBondContact O-N 3.09Å; G44-R47 PolarHBondContact O-N 3.22Å; G44-G49 PolarHBondContact O-N 2.97Å; G44-G49 VanDerWaalsContact O-N 3.12Å
45	R	94.1	Very high	94.5	Very high	152 Å²	152	72.8 Å²	72.8	57%	0.574	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-59.7	-36	-167.9	-176.2	-178.2	177.1	-166.7	-2.5	114.2	R47 G48 G49 S54	R45-R47 PolarHBondContact O-N 3.05Å; R45-G48 PolarHBondContact O-N 3.06Å; R45-G49 WeakPolarHBondContact CA-O 3.3Å; R45-S54 PolarHBondContact N-OG 3.06Å; R45-S54 VanDerWaalsContact N-OG 3.11Å
46	H	90.6	Very high	94.4	Very high	152 Å²	152	72.6 Å²	72.6	70%	0.704	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.8	-179.5	67.5	-81.4	0	0	0	113.2	A43 G44	A43-H46 PolarHBondContact O-CE1 2.99Å; G44-H46 VanDerWaalsContact C-N 3.3Å; G44-H46 PolarHBondContact O-N 3.09Å
47	R	92.9	Very high	94.3	Very high	172 Å²	172	67.6 Å²	67.6	65%	0.649	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-106	18.6	173.5	-59.2	-63.7	-170.9	156.2	3	112.9	Q40 A43 G44 R45	Q40-R47 WeakPolarHBondContact CG-O 3.39Å; A43-R47 HydrophobicContact CB-CB 3.78Å; A43-R47 HydrophobicContact CB-CG 3.79Å; G44-R47 PolarHBondContact O-N 3.22Å; R45-R47 PolarHBondContact O-N 3.05Å
48	G	91.8	Very high	94.2	Very high	40 Å²	40	68.1 Å²	68.1	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	9.4	179.5	0	0	0	0	0	115.1	R45	R45-G48 PolarHBondContact O-N 3.06Å
49	G	93.1	Very high	94.3	Very high	8 Å²	8	66.7 Å²	66.7	8%	0.082	36%	0.36	C	S	.	.			trans	-69.4	154.6	170.5	0	0	0	0	0	112.8	Q40 G44 R45	Q40-G49 VanDerWaalsContact O-CA 3.24Å; Q40-G49 WeakPolarHBondContact O-CA 3.3Å; Q40-G49 PolarHBondContact O-N 2.89Å; G44-G49 PolarHBondContact O-N 2.97Å; G44-G49 VanDerWaalsContact O-N 3.12Å; R45-G49 WeakPolarHBondContact CA-O 3.3Å
50	A	93.1	Very high	94.3	Very high	20 Å²	20	67.1 Å²	67.1	17%	0.165	35%	0.351	C	S	.	.			trans	-66	141.5	176.6	0	0	0	0	0	111.8	Y27 R52 T53 S54	Y27-A50 HydrophobicContact CE1-CB 4.46Å; Y27-A50 HydrophobicContact CE2-CB 3.75Å; Y27-A50 VanDerWaalsContact OH-CB 3.27Å; Y27-A50 WeakPolarHBondContact OH-CB 3.45Å; A50-R52 PolarHBondContact O-N 3.36Å; A50-R52 VanDerWaalsContact O-N 3.12Å; A50-T53 HydrophobicContact CB-CG2 4.34Å; A50-T53 PolarHBondContact O-N 3.2Å; A50-T53 PolarHBondContact O-OG1 2.86Å; A50-S54 PolarHBondContact O-N 3.16Å
51	K	94.4	Very high	94.4	Very high	157 Å²	157	65.7 Å²	65.7	68%	0.683	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.4	176.5	-176.8	-179.3	177.8	-177.5	0	111.9	T53 S54	K51-T53 VanDerWaalsContact C-N 3.25Å; K51-T53 PolarHBondContact O-N 3.16Å; K51-S54 PolarHBondContact O-N 3.41Å
52	R	93.4	Very high	94.5	Very high	180 Å²	180	65.5 Å²	65.5	68%	0.679	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.8	-177.7	-157.5	177	-176.4	167.2	1.8	113.6	Y27 A50 R56	Y27-R52 HydrophobicContact CD2-CB 4.21Å; Y27-R52 HydrophobicContact CE2-CB 4.14Å; A50-R52 PolarHBondContact O-N 3.36Å; A50-R52 VanDerWaalsContact O-N 3.12Å; R52-R56 WeakPolarHBondContact O-CD 3.42Å; R52-R56 PolarHBondContact O-NH1 3.22Å
53	T	92.7	Very high	94.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-16.5	-179.3	65.4	0	0	0	0	113.6	L15 Y27 H41 A50 K51 G55 R56 W59	L15-T53 HydrophobicContact CD1-CG2 4.39Å; Y27-T53 HydrophobicContact CD1-CG2 4.12Å; Y27-T53 HydrophobicContact CD2-CG2 3.52Å; Y27-T53 HydrophobicContact CE2-CG2 4.03Å; Y27-T53 HydrophobicContact CG-CG2 3.58Å; H41-T53 WeakPolarHBondContact ND1-CG2 3.36Å; H41-T53 PolarHBondContact ND1-OG1 2.98Å; A50-T53 HydrophobicContact CB-CG2 4.34Å; A50-T53 PolarHBondContact O-N 3.2Å; A50-T53 PolarHBondContact O-OG1 2.86Å; K51-T53 VanDerWaalsContact C-N 3.25Å; K51-T53 PolarHBondContact O-N 3.16Å; T53-G55 PolarHBondContact O-N 3.07Å; T53-R56 PolarHBondContact O-N 3.46Å; T53-W59 HydrophobicContact CG2-CD2 4.38Å; T53-W59 HydrophobicContact CG2-CH2 4.3Å; T53-W59 HydrophobicContact CG2-CZ2 3.93Å; T53-W59 PolarHBondContact O-NE1 3.18Å
54	S	93.9	Very high	94.7	Very high	44 Å²	44	59.6 Å²	59.6	31%	0.308	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.6	-174.5	-162.8	0	0	0	0	112.7	R45 A50 K51 R56	R45-S54 PolarHBondContact N-OG 3.06Å; R45-S54 VanDerWaalsContact N-OG 3.11Å; A50-S54 PolarHBondContact O-N 3.16Å; K51-S54 PolarHBondContact O-N 3.41Å; S54-R56 PolarHBondContact O-N 2.96Å
55	G	92.8	Very high	94.9	Very high	75 Å²	75	59.4 Å²	59.4	77%	0.773	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	12.1	177.5	0	0	0	0	0	115.1	T53	T53-G55 PolarHBondContact O-N 3.07Å
56	R	93.7	Very high	95.1	Very high	82 Å²	82	52.3 Å²	52.3	31%	0.309	28%	0.277	S	S	.	.	S	Bend	trans	-113.7	-9.5	-178	-66.2	172.5	-179	177.7	-3.5	113.4	C17 N19 F22 R52 T53 S54 W59	C17-R56 PolarHBondContact SG-O 3.36Å; N19-R56 WeakPolarHBondContact CB-O 3.41Å; F22-R56 HydrophobicContact CD2-CB 3.83Å; F22-R56 HydrophobicContact CD2-CG 3.97Å; F22-R56 HydrophobicContact CE2-CB 4.16Å; F22-R56 HydrophobicContact CE2-CG 3.87Å; F22-R56 HydrophobicContact CG-CB 4.28Å; F22-R56 HydrophobicContact CG-CG 4.35Å; F22-R56 HydrophobicContact CZ-CG 4.16Å; R52-R56 WeakPolarHBondContact O-CD 3.42Å; R52-R56 PolarHBondContact O-NH1 3.22Å; T53-R56 PolarHBondContact O-N 3.46Å; S54-R56 PolarHBondContact O-N 2.96Å; R56-W59 HydrophobicContact CB-CZ2 3.78Å
57	G	92.8	Very high	95.2	Very high	22 Å²	22	45.6 Å²	45.6	23%	0.227	25%	0.249	C	C	.	.			trans	-66.4	178.1	-179.9	0	0	0	0	0	113.2	N19 W59	N19-G57 WeakPolarHBondContact CB-O 3.25Å; N19-G57 PolarHBondContact ND2-O 3.05Å; G57-W59 VanDerWaalsContact CA-CD1 3.4Å
58	P	96.3	Very high	95.4	Very high	74 Å²	74	37.8 Å²	37.8	48%	0.481	22%	0.219	S	C	.	.			cis	-69.9	145.8	9.7	23.9	-30.7	0	0	0	113.9	T18	T18-P58 PolarHBondContact N-O 2.9Å; T18-P58 VanDerWaalsContact N-O 3.1Å; T18-P58 PolarHBondContact OG1-O 3.37Å
59	W	98	Very high	95.4	Very high	8 Å²	8	39.9 Å²	39.9	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.1	173.3	-63	91.8	0	0	0	109.1	L15 Y16 C17 R25 I38 N42 T53 R56 G57	L15-W59 HydrophobicContact CB-CE3 3.78Å; L15-W59 HydrophobicContact CB-CZ3 4.42Å; L15-W59 HydrophobicContact CD1-CB 4.26Å; L15-W59 HydrophobicContact CD1-CD2 4.44Å; L15-W59 HydrophobicContact CD1-CE3 4.32Å; L15-W59 HydrophobicContact CD1-CG 4.43Å; Y16-W59 WeakPolarHBondContact O-CA 3.42Å; C17-W59 HydrophobicContact CB-CD2 4.22Å; C17-W59 HydrophobicContact CB-CE3 3.73Å; C17-W59 HydrophobicContact CB-CH2 3.91Å; C17-W59 HydrophobicContact CB-CZ2 4.35Å; C17-W59 HydrophobicContact CB-CZ3 3.59Å; R25-W59 HydrophobicContact CB-CH2 4.1Å; R25-W59 HydrophobicContact CB-CZ3 4.34Å; I38-W59 HydrophobicContact CD1-CB 4.25Å; I38-W59 WeakPolarHBondContact CD1-O 3.41Å; N42-W59 PolarHBondContact ND2-O 2.9Å; N42-W59 WeakPolarHBondContact OD1-CB 3.36Å; N42-W59 PolarHBondContact OD1-N 2.91Å; T53-W59 HydrophobicContact CG2-CD2 4.38Å; T53-W59 HydrophobicContact CG2-CH2 4.3Å; T53-W59 HydrophobicContact CG2-CZ2 3.93Å; T53-W59 PolarHBondContact O-NE1 3.18Å; R56-W59 HydrophobicContact CB-CZ2 3.78Å; G57-W59 VanDerWaalsContact CA-CD1 3.4Å
60	E	97.9	Very high	95.5	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.229	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.6	171.9	-66.1	-173.6	153.5	0	0	109.4	L15 Y16 T18 V62 Y133	L15-E60 CarbonylContact C-O 3.6Å; L15-E60 WeakPolarHBondContact CA-O 3.31Å; Y16-E60 PolarHBondContact N-O 3.2Å; Y16-E60 PolarHBondContact O-N 3.35Å; T18-E60 HydrophobicContact CG2-CG 4.05Å; E60-V62 HydrophobicContact CB-CG1 4.24Å; E60-V62 PolarHBondContact O-N 3.06Å; E60-Y133 VanDerWaalsContact OE2-CE2 3.23Å; E60-Y133 WeakPolarHBondContact OE2-CE2 3.23Å; E60-Y133 PolarHBondContact OE2-OH 3.01Å
61	M	98.3	Very high	95.6	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.059	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.7	168.5	-166.7	-177.5	-67.8	0	0	107.5	Y13 L15 P34 I38 I64 L129	Y13-M61 VanDerWaalsContact CB-SD 3.6Å; Y13-M61 HydrophobicContact CD1-CE 3.97Å; Y13-M61 HydrophobicContact CD2-CE 3.78Å; Y13-M61 HydrophobicContact CD2-CG 4.21Å; Y13-M61 HydrophobicContact CD2-SD 4.41Å; Y13-M61 HydrophobicContact CE1-CE 4.43Å; Y13-M61 HydrophobicContact CE2-CE 4.25Å; Y13-M61 HydrophobicContact CG-CE 3.62Å; Y13-M61 HydrophobicContact CG-CG 4.21Å; Y13-M61 HydrophobicContact CG-SD 3.96Å; L15-M61 HydrophobicContact CD2-CB 3.71Å; L15-M61 HydrophobicContact CD2-CE 4.33Å; L15-M61 HydrophobicContact CD2-CG 3.97Å; P34-M61 HydrophobicContact CB-CE 4.24Å; P34-M61 HydrophobicContact CB-SD 4.02Å; I38-M61 HydrophobicContact CB-CE 4.34Å; I38-M61 HydrophobicContact CD1-CB 4.23Å; M61-I64 HydrophobicContact SD-CD1 4.04Å; M61-L129 HydrophobicContact CB-CD1 3.91Å; M61-L129 HydrophobicContact CG-CD1 3.56Å; M61-L129 WeakPolarHBondContact O-CB 3.5Å; M61-L129 HydrophobicContact SD-CD1 3.53Å; M61-L129 VanDerWaalsContact SD-CD1 3.53Å
62	V	98.3	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-34.3	-171.4	-62.4	0	0	0	0	112.4	M14 E60 L103 L129 R130 Y133	M14-V62 HydrophobicContact CB-CG2 4.34Å; M14-V62 HydrophobicContact CE-CG2 3.83Å; M14-V62 HydrophobicContact CG-CG2 4.12Å; M14-V62 WeakPolarHBondContact O-CG2 3.36Å; M14-V62 PolarHBondContact O-N 3.14Å; E60-V62 HydrophobicContact CB-CG1 4.24Å; E60-V62 PolarHBondContact O-N 3.06Å; V62-L103 HydrophobicContact CG2-CD1 4.34Å; V62-L129 PolarHBondContact O-N 3.49Å; V62-R130 HydrophobicContact CG1-CB 4.42Å; V62-Y133 HydrophobicContact CB-CD2 4.08Å; V62-Y133 HydrophobicContact CB-CG 4.06Å; V62-Y133 HydrophobicContact CG1-CD1 4.08Å; V62-Y133 HydrophobicContact CG1-CD2 3.43Å; V62-Y133 VanDerWaalsContact CG1-CD2 3.43Å; V62-Y133 HydrophobicContact CG1-CE1 4.26Å; V62-Y133 HydrophobicContact CG1-CE2 3.63Å; V62-Y133 HydrophobicContact CG1-CG 3.65Å
63	L	98.5	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.3	-178.1	175.6	67.7	0	0	0	109.5	Y13 M14 I65 W81 W107 V110 R127 W128	Y13-L63 CarbonylContact C-O 3.57Å; Y13-L63 VanDerWaalsContact CA-O 3.29Å; Y13-L63 WeakPolarHBondContact CA-O 3.5Å; M14-L63 HydrophobicContact CB-CB 4.24Å; M14-L63 HydrophobicContact CE-CB 3.94Å; M14-L63 HydrophobicContact CE-CD2 3.92Å; M14-L63 PolarHBondContact N-O 3.41Å; L63-I65 HydrophobicContact CD1-CD1 4.33Å; L63-I65 HydrophobicContact CD2-CD1 4.47Å; L63-I65 HydrophobicContact CG-CD1 4.38Å; L63-W81 HydrophobicContact CD2-CH2 3.87Å; L63-W81 HydrophobicContact CD2-CZ2 4.2Å; L63-W81 HydrophobicContact CG-CH2 4.42Å; L63-W107 HydrophobicContact CD1-CZ3 4.4Å; L63-W107 HydrophobicContact CD2-CE3 3.85Å; L63-W107 HydrophobicContact CD2-CZ3 3.82Å; L63-V110 HydrophobicContact CD2-CG1 4.08Å; L63-R127 WeakPolarHBondContact CA-O 3.43Å; L63-R127 WeakPolarHBondContact CD1-O 3.27Å; L63-W128 HydrophobicContact CB-CE3 3.97Å; L63-W128 HydrophobicContact CB-CZ3 3.96Å; L63-W128 HydrophobicContact CD1-CD2 3.93Å; L63-W128 HydrophobicContact CD1-CE3 4.17Å; L63-W128 HydrophobicContact CD1-CG 4.3Å; L63-W128 HydrophobicContact CD1-CZ2 4.49Å; L63-W128 HydrophobicContact CD2-CH2 4.36Å
64	I	98.6	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	127.1	170.3	-169.5	161.5	0	0	0	110.9	F9 T31 P34 M61 R127 L129 V154	F9-I64 HydrophobicContact CE1-CD1 3.84Å; F9-I64 HydrophobicContact CZ-CD1 3.58Å; F9-I64 HydrophobicContact CZ-CG1 4.29Å; T31-I64 HydrophobicContact CG2-CD1 4.25Å; P34-I64 HydrophobicContact CB-CD1 4.18Å; P34-I64 HydrophobicContact CG-CD1 3.68Å; M61-I64 HydrophobicContact SD-CD1 4.04Å; I64-R127 HydrophobicContact CG2-CB 3.97Å; I64-R127 HydrophobicContact CG2-CG 4.48Å; I64-R127 PolarHBondContact N-O 2.96Å; I64-R127 PolarHBondContact O-N 3.43Å; I64-L129 HydrophobicContact CB-CD1 4.43Å; I64-L129 HydrophobicContact CG2-CD1 4.07Å; I64-L129 HydrophobicContact CG2-CD2 3.87Å; I64-L129 HydrophobicContact CG2-CG 4.05Å; I64-V154 HydrophobicContact CG2-CG1 3.93Å
65	I	98.4	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.6	167.4	-47.9	-54.3	0	0	0	106.6	G11 V12 L63 F68 F77 W81 V110 L114 L124 T125 A126	G11-I65 CarbonylContact C-O 3.16Å; G11-I65 WeakPolarHBondContact CA-O 3.44Å; V12-I65 PolarHBondContact N-O 2.94Å; V12-I65 PolarHBondContact O-N 3.33Å; L63-I65 HydrophobicContact CD1-CD1 4.33Å; L63-I65 HydrophobicContact CD2-CD1 4.47Å; L63-I65 HydrophobicContact CG-CD1 4.38Å; I65-F68 HydrophobicContact CB-CE2 4.21Å; I65-F68 HydrophobicContact CB-CZ 4.39Å; I65-F68 HydrophobicContact CG2-CE2 3.95Å; I65-F68 HydrophobicContact CG2-CZ 3.88Å; I65-F68 WeakPolarHBondContact O-CE2 3.15Å; I65-F77 HydrophobicContact CB-CE1 4.34Å; I65-F77 HydrophobicContact CB-CZ 4.42Å; I65-F77 HydrophobicContact CG1-CE1 4.07Å; I65-F77 HydrophobicContact CG1-CZ 4.1Å; I65-F77 HydrophobicContact CG2-CZ 4.16Å; I65-W81 HydrophobicContact CG1-CH2 4.42Å; I65-W81 HydrophobicContact CG1-CZ3 4.07Å; I65-V110 HydrophobicContact CD1-CG2 4.09Å; I65-V110 HydrophobicContact CG1-CG2 3.89Å; I65-L114 HydrophobicContact CG2-CD2 4.29Å; I65-L124 HydrophobicContact CG2-CB 4.22Å; I65-L124 HydrophobicContact CG2-CD1 4.16Å; I65-T125 WeakPolarHBondContact CA-O 3.34Å; I65-A126 HydrophobicContact CD1-CB 3.48Å; I65-A126 VanDerWaalsContact CD1-CB 3.48Å
66	H	97.3	Very high	96.7	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	177.4	-178.7	70.4	89.5	0	0	0	111.5	F9 F10 L124 T125	F9-H66 HydrophobicContact CD2-CB 4.36Å; F9-H66 HydrophobicContact CE1-CB 4.38Å; F9-H66 HydrophobicContact CE2-CB 3.47Å; F9-H66 VanDerWaalsContact CE2-CB 3.47Å; F9-H66 AromaticContact CE2-CG 3.61Å; F9-H66 AromaticContact CE2-ND1 3.84Å; F9-H66 HydrophobicContact CZ-CB 3.48Å; F9-H66 VanDerWaalsContact CZ-CB 3.48Å; F10-H66 WeakPolarHBondContact O-CA 3.38Å; H66-L124 CarbonylContact O-C 3.52Å; H66-L124 VanDerWaalsContact O-CA 3.23Å; H66-L124 WeakPolarHBondContact O-CA 3.45Å; H66-T125 PolarHBondContact N-O 2.9Å; H66-T125 WeakPolarHBondContact NE2-CB 3.27Å; H66-T125 WeakPolarHBondContact NE2-CG2 3.22Å; H66-T125 PolarHBondContact O-N 2.82Å
67	G	93.8	Very high	96.9	Very high	11 Å²	11	35.7 Å²	35.7	11%	0.113	20%	0.195	C	C	.	.			trans	89.7	15.3	-171.4	0	0	0	0	0	113.7	F10	F10-G67 PolarHBondContact O-N 3.24Å
68	F	96.1	Very high	97.2	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	19%	0.191	C	C	.	.			trans	-63.1	140.6	173.7	-68.8	-82	0	0	0	110.5	F10 V12 I65 S70 A73 A74 F77 L122 L124	F10-F68 HydrophobicContact CB-CB 3.94Å; F10-F68 WeakPolarHBondContact CD2-O 3.3Å; V12-F68 HydrophobicContact CB-CE2 4.22Å; V12-F68 HydrophobicContact CG2-CD2 4.44Å; V12-F68 HydrophobicContact CG2-CE2 3.73Å; V12-F68 HydrophobicContact CG2-CZ 4.06Å; I65-F68 HydrophobicContact CB-CE2 4.21Å; I65-F68 HydrophobicContact CB-CZ 4.39Å; I65-F68 HydrophobicContact CG2-CE2 3.95Å; I65-F68 HydrophobicContact CG2-CZ 3.88Å; I65-F68 WeakPolarHBondContact O-CE2 3.15Å; F68-S70 PolarHBondContact O-N 2.82Å; F68-A73 HydrophobicContact CD1-CB 4.27Å; F68-A74 HydrophobicContact CB-CB 3.9Å; F68-A74 HydrophobicContact CD1-CB 4.2Å; F68-A74 HydrophobicContact CD2-CB 3.74Å; F68-A74 HydrophobicContact CE2-CB 4.32Å; F68-A74 HydrophobicContact CG-CB 3.67Å; F68-F77 HydrophobicContact CE1-CB 3.6Å; F68-F77 AromaticContact CE1-CD2 3.66Å; F68-F77 HydrophobicContact CE1-CD2 3.66Å; F68-F77 HydrophobicContact CE1-CE2 4.45Å; F68-F77 AromaticContact CE1-CG 3.71Å; F68-F77 HydrophobicContact CE1-CG 3.71Å; F68-F77 HydrophobicContact CZ-CB 3.69Å; F68-F77 AromaticContact CZ-CD1 3.85Å; F68-F77 HydrophobicContact CZ-CD1 3.85Å; F68-F77 AromaticContact CZ-CD2 3.63Å; F68-F77 HydrophobicContact CZ-CD2 3.63Å; F68-F77 HydrophobicContact CZ-CE1 4.35Å; F68-F77 HydrophobicContact CZ-CE2 4.18Å; F68-F77 AromaticContact CZ-CG 3.46Å; F68-F77 HydrophobicContact CZ-CG 3.46Å; F68-F77 VanDerWaalsContact CZ-CG 3.46Å; F68-F77 HydrophobicContact CZ-CZ 4.5Å; F68-L122 HydrophobicContact CD1-CD1 4.29Å; F68-L124 HydrophobicContact CD1-CD2 3.57Å; F68-L124 HydrophobicContact CD2-CD2 4.14Å; F68-L124 HydrophobicContact CE1-CD1 4.15Å; F68-L124 HydrophobicContact CE1-CD2 3.61Å; F68-L124 HydrophobicContact CE2-CD2 4.18Å; F68-L124 HydrophobicContact CG-CD2 3.83Å; F68-L124 HydrophobicContact CZ-CD1 4.37Å; F68-L124 HydrophobicContact CZ-CD2 3.91Å
69	P	92.5	Very high	97.3	Very high	84 Å²	84	38.4 Å²	38.4	55%	0.545	19%	0.19	S	C	.	.	S	Bend	trans	-72.6	-15.6	-179.1	30.2	-37	0	0	0	113.3	A73 L122	P69-A73 HydrophobicContact CG-CB 3.95Å; P69-L122 HydrophobicContact CG-CD2 4.14Å
70	S	94.1	Very high	97.4	Very high	36 Å²	36	38.1 Å²	38.1	25%	0.252	19%	0.189	S	C	.	.	S	Bend	trans	-159.8	164.8	177.8	64.8	0	0	0	0	111.6	F68 I72 A73 A74	F68-S70 PolarHBondContact O-N 2.82Å; S70-I72 VanDerWaalsContact C-N 3.33Å; S70-A73 PolarHBondContact O-N 3.42Å; S70-A73 PolarHBondContact OG-N 2.94Å; S70-A74 PolarHBondContact O-N 3.48Å; S70-A74 VanDerWaalsContact O-N 3.11Å
71	D	96.8	Very high	97.4	Very high	75 Å²	75	35.8 Å²	35.8	40%	0.401	18%	0.179	S	C	.	.	H	α-helix	trans	-57.6	-42.3	167.7	60.1	-15.2	0	0	0	112.2	F10 F30 A73 A74 L75	F10-D71 HydrophobicContact CD1-CB 4.12Å; F10-D71 HydrophobicContact CE1-CB 3.94Å; F30-D71 HydrophobicContact CZ-CB 3.97Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.13Å; D71-A74 CarbonylContact O-C 3.58Å; D71-A74 PolarHBondContact O-N 3.17Å; D71-L75 WeakPolarHBondContact O-CB 3.44Å; D71-L75 VanDerWaalsContact O-CG 3.25Å; D71-L75 WeakPolarHBondContact O-CG 3.17Å; D71-L75 PolarHBondContact O-N 2.77Å
72	I	97.4	Very high	97.4	Very high	97 Å²	97	38.4 Å²	38.4	50%	0.497	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-43.5	177.9	-62.9	170.3	0	0	0	110.7	S70 R76	S70-I72 VanDerWaalsContact C-N 3.33Å; I72-R76 WeakPolarHBondContact O-CB 3.43Å; I72-R76 VanDerWaalsContact O-CG 3.31Å; I72-R76 WeakPolarHBondContact O-CG 3.41Å; I72-R76 PolarHBondContact O-N 3.14Å
73	A	97.2	Very high	97.4	Very high	19 Å²	19	42 Å²	42	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-43.2	177.4	0	0	0	0	0	111.4	F68 P69 S70 D71 F77	F68-A73 HydrophobicContact CD1-CB 4.27Å; P69-A73 HydrophobicContact CG-CB 3.95Å; S70-A73 PolarHBondContact O-N 3.42Å; S70-A73 PolarHBondContact OG-N 2.94Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.13Å; A73-F77 PolarHBondContact O-N 2.94Å; A73-F77 VanDerWaalsContact O-N 3.17Å
74	A	98.3	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-44	177.4	0	0	0	0	0	112.4	F10 V12 F30 F68 S70 D71 R76 F77 E78	F10-A74 HydrophobicContact CB-CB 4.38Å; V12-A74 HydrophobicContact CG2-CB 4.04Å; V12-A74 VanDerWaalsContact CG2-O 3.22Å; V12-A74 WeakPolarHBondContact CG2-O 3.37Å; F30-A74 HydrophobicContact CD2-CB 3.6Å; F30-A74 HydrophobicContact CE2-CB 3.64Å; F68-A74 HydrophobicContact CB-CB 3.9Å; F68-A74 HydrophobicContact CD1-CB 4.2Å; F68-A74 HydrophobicContact CD2-CB 3.74Å; F68-A74 HydrophobicContact CE2-CB 4.32Å; F68-A74 HydrophobicContact CG-CB 3.67Å; S70-A74 PolarHBondContact O-N 3.48Å; S70-A74 VanDerWaalsContact O-N 3.11Å; D71-A74 CarbonylContact O-C 3.58Å; D71-A74 PolarHBondContact O-N 3.17Å; A74-R76 PolarHBondContact O-N 3.2Å; A74-F77 CarbonylContact O-C 3.56Å; A74-F77 WeakPolarHBondContact O-CB 3.34Å; A74-F77 PolarHBondContact O-N 3.2Å; A74-F77 VanDerWaalsContact O-N 3.13Å; A74-E78 PolarHBondContact O-N 3.44Å
75	L	98.4	Very high	97.3	Very high	72 Å²	72	46.3 Å²	46.3	38%	0.377	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-37.3	179.2	-72	167.3	0	0	0	111.9	F30 D71 F77 E78 W79	F30-L75 HydrophobicContact CB-CD2 3.99Å; F30-L75 HydrophobicContact CD1-CD2 3.95Å; F30-L75 HydrophobicContact CD1-CG 4.48Å; F30-L75 HydrophobicContact CG-CD2 3.99Å; F30-L75 HydrophobicContact CG-CG 4.46Å; D71-L75 WeakPolarHBondContact O-CB 3.44Å; D71-L75 VanDerWaalsContact O-CG 3.25Å; D71-L75 WeakPolarHBondContact O-CG 3.17Å; D71-L75 PolarHBondContact O-N 2.77Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 2.76Å; L75-E78 PolarHBondContact O-N 3.09Å; L75-W79 WeakPolarHBondContact O-CB 3.19Å; L75-W79 PolarHBondContact O-N 3.04Å
76	R	98.3	Very high	97.2	Very high	179 Å²	179	50.2 Å²	50.2	68%	0.675	26%	0.255	S	S	*	.	H	α-helix	trans	-63.8	-37.5	172.1	-74.7	175.3	174.6	-177.3	-0.3	112.1	I72 A74 A80	I72-R76 WeakPolarHBondContact O-CB 3.43Å; I72-R76 VanDerWaalsContact O-CG 3.31Å; I72-R76 WeakPolarHBondContact O-CG 3.41Å; I72-R76 PolarHBondContact O-N 3.14Å; A74-R76 PolarHBondContact O-N 3.2Å; R76-A80 PolarHBondContact O-N 2.8Å
77	F	98.6	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-51	173.8	-170.4	-77.4	0	0	0	110.9	V12 I65 F68 A73 A74 L75 W79 A80 W81 V110 M113 L114 W119 L124	V12-F77 HydrophobicContact CB-CD1 4.11Å; V12-F77 HydrophobicContact CG1-CD1 4.13Å; V12-F77 HydrophobicContact CG2-CB 4.38Å; V12-F77 HydrophobicContact CG2-CD1 4.12Å; I65-F77 HydrophobicContact CB-CE1 4.34Å; I65-F77 HydrophobicContact CB-CZ 4.42Å; I65-F77 HydrophobicContact CG1-CE1 4.07Å; I65-F77 HydrophobicContact CG1-CZ 4.1Å; I65-F77 HydrophobicContact CG2-CZ 4.16Å; F68-F77 HydrophobicContact CE1-CB 3.6Å; F68-F77 AromaticContact CE1-CD2 3.66Å; F68-F77 HydrophobicContact CE1-CD2 3.66Å; F68-F77 HydrophobicContact CE1-CE2 4.45Å; F68-F77 AromaticContact CE1-CG 3.71Å; F68-F77 HydrophobicContact CE1-CG 3.71Å; F68-F77 HydrophobicContact CZ-CB 3.69Å; F68-F77 AromaticContact CZ-CD1 3.85Å; F68-F77 HydrophobicContact CZ-CD1 3.85Å; F68-F77 AromaticContact CZ-CD2 3.63Å; F68-F77 HydrophobicContact CZ-CD2 3.63Å; F68-F77 HydrophobicContact CZ-CE1 4.35Å; F68-F77 HydrophobicContact CZ-CE2 4.18Å; F68-F77 AromaticContact CZ-CG 3.46Å; F68-F77 HydrophobicContact CZ-CG 3.46Å; F68-F77 VanDerWaalsContact CZ-CG 3.46Å; F68-F77 HydrophobicContact CZ-CZ 4.5Å; A73-F77 PolarHBondContact O-N 2.94Å; A73-F77 VanDerWaalsContact O-N 3.17Å; A74-F77 CarbonylContact O-C 3.56Å; A74-F77 WeakPolarHBondContact O-CB 3.34Å; A74-F77 PolarHBondContact O-N 3.2Å; A74-F77 VanDerWaalsContact O-N 3.13Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 2.76Å; F77-W79 VanDerWaalsContact C-N 3.32Å; F77-W79 PolarHBondContact O-N 2.93Å; F77-A80 PolarHBondContact O-N 2.86Å; F77-A80 VanDerWaalsContact O-N 3.16Å; F77-W81 HydrophobicContact CD1-CE3 4.26Å; F77-W81 HydrophobicContact CE1-CD2 4.44Å; F77-W81 AromaticContact CE1-CE3 3.75Å; F77-W81 HydrophobicContact CE1-CE3 3.75Å; F77-W81 HydrophobicContact CE1-CZ3 4.23Å; F77-W81 PolarHBondContact O-N 2.9Å; F77-V110 HydrophobicContact CE1-CG2 3.85Å; F77-V110 HydrophobicContact CZ-CG2 3.58Å; F77-M113 HydrophobicContact CB-CE 4.39Å; F77-M113 HydrophobicContact CD1-CE 3.54Å; F77-M113 HydrophobicContact CD2-CE 3.63Å; F77-M113 HydrophobicContact CE1-CE 3.59Å; F77-M113 HydrophobicContact CE1-SD 4.33Å; F77-M113 HydrophobicContact CE2-CB 4.04Å; F77-M113 HydrophobicContact CE2-CE 3.68Å; F77-M113 HydrophobicContact CG-CE 3.56Å; F77-M113 HydrophobicContact CZ-CB 4.1Å; F77-M113 HydrophobicContact CZ-CE 3.66Å; F77-M113 HydrophobicContact CZ-SD 4.32Å; F77-M113 VanDerWaalsContact O-CE 3.23Å; F77-M113 WeakPolarHBondContact O-CE 3.22Å; F77-L114 HydrophobicContact CE2-CD2 4.38Å; F77-L114 HydrophobicContact CZ-CD2 4.37Å; F77-W119 HydrophobicContact CD2-CB 4.27Å; F77-W119 AromaticContact CD2-CD1 3.5Å; F77-W119 VanDerWaalsContact CD2-CD1 3.5Å; F77-W119 AromaticContact CD2-CD2 3.83Å; F77-W119 HydrophobicContact CD2-CD2 3.83Å; F77-W119 AromaticContact CD2-CE2 3.8Å; F77-W119 AromaticContact CD2-CG 3.62Å; F77-W119 HydrophobicContact CD2-CG 3.62Å; F77-W119 AromaticContact CD2-NE1 3.56Å; F77-W119 HydrophobicContact CE2-CB 4.23Å; F77-W119 HydrophobicContact CE2-CD2 4.23Å; F77-W119 AromaticContact CE2-CG 3.99Å; F77-W119 HydrophobicContact CE2-CG 3.99Å; F77-L124 HydrophobicContact CE2-CD1 4.35Å
78	E	98.7	Very high	97.3	Very high	31 Å²	31	61.1 Å²	61.1	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-52.3	-49.5	177.1	-176.6	-138.7	-166.4	0	0	111.7	V12 I28 G29 A74 L75 A80 W81 Q82	V12-E78 HydrophobicContact CG1-CB 3.81Å; V12-E78 HydrophobicContact CG1-CG 4.12Å; V12-E78 HydrophobicContact CG2-CB 4.08Å; I28-E78 HydrophobicContact CG2-CG 4.21Å; G29-E78 WeakPolarHBondContact CA-OE1 3.37Å; A74-E78 PolarHBondContact O-N 3.44Å; L75-E78 PolarHBondContact O-N 3.09Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 2.82Å; E78-W81 PolarHBondContact O-N 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3Å; E78-Q82 PolarHBondContact OE1-NE2 3.21Å
79	W	98.5	Very high	97.2	Very high	122 Å²	122	66.8 Å²	66.8	46%	0.462	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-44.9	-180	-177.2	91.3	0	0	0	112	L75 F77 W81 Q82 H83	L75-W79 WeakPolarHBondContact O-CB 3.19Å; L75-W79 PolarHBondContact O-N 3.04Å; F77-W79 VanDerWaalsContact C-N 3.32Å; F77-W79 PolarHBondContact O-N 2.93Å; W79-W81 VanDerWaalsContact C-N 3.32Å; W79-W81 PolarHBondContact O-N 3.05Å; W79-Q82 PolarHBondContact O-N 3.12Å; W79-H83 AromaticContact CD1-ND1 3.65Å; W79-H83 AromaticContact CE2-ND1 3.85Å; W79-H83 AromaticContact CG-ND1 3.94Å; W79-H83 HydrophobicContact CH2-CB 4.4Å; W79-H83 HydrophobicContact CZ2-CB 4.22Å; W79-H83 AromaticContact NE1-ND1 3.59Å; W79-H83 WeakPolarHBondContact O-CB 3.44Å; W79-H83 PolarHBondContact O-N 3.43Å; W79-H83 PolarHBondContact O-ND1 3.21Å
80	A	98.6	Very high	97.4	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-34.4	179.3	0	0	0	0	0	112.2	R76 F77 E78 H83 P84 L90 M113 W119	R76-A80 PolarHBondContact O-N 2.8Å; F77-A80 PolarHBondContact O-N 2.86Å; F77-A80 VanDerWaalsContact O-N 3.16Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 2.82Å; A80-H83 CarbonylContact O-C 3.47Å; A80-H83 PolarHBondContact O-N 2.95Å; A80-P84 VanDerWaalsContact O-CA 3.31Å; A80-P84 WeakPolarHBondContact O-CA 3.29Å; A80-P84 VanDerWaalsContact O-N 3.15Å; A80-L90 HydrophobicContact CB-CD1 4.33Å; A80-M113 HydrophobicContact CB-CE 3.91Å; A80-W119 HydrophobicContact CB-CH2 3.5Å; A80-W119 VanDerWaalsContact CB-CH2 3.5Å; A80-W119 HydrophobicContact CB-CZ2 3.79Å
81	W	98.6	Very high	97.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.8	-36.7	175.2	-165.7	3.7	0	0	0	112.1	V12 M14 I28 L63 I65 F77 E78 W79 H106 V109 V110 M113	V12-W81 HydrophobicContact CG1-CE3 3.68Å; V12-W81 HydrophobicContact CG1-CZ3 3.98Å; M14-W81 HydrophobicContact CB-CH2 3.84Å; M14-W81 HydrophobicContact CB-CZ2 4.03Å; M14-W81 HydrophobicContact SD-CZ2 4.04Å; I28-W81 HydrophobicContact CD1-CD2 3.92Å; I28-W81 HydrophobicContact CD1-CE3 4.32Å; I28-W81 HydrophobicContact CD1-CG 4.43Å; I28-W81 HydrophobicContact CD1-CH2 4.27Å; I28-W81 HydrophobicContact CD1-CZ2 3.86Å; I28-W81 HydrophobicContact CD1-CZ3 4.49Å; I28-W81 HydrophobicContact CG1-CD2 4.13Å; I28-W81 HydrophobicContact CG1-CG 4.19Å; I28-W81 HydrophobicContact CG2-CB 4.16Å; I28-W81 HydrophobicContact CG2-CD2 3.8Å; I28-W81 HydrophobicContact CG2-CE3 3.62Å; I28-W81 HydrophobicContact CG2-CG 4.05Å; I28-W81 HydrophobicContact CG2-CZ3 4.33Å; L63-W81 HydrophobicContact CD2-CH2 3.87Å; L63-W81 HydrophobicContact CD2-CZ2 4.2Å; L63-W81 HydrophobicContact CG-CH2 4.42Å; I65-W81 HydrophobicContact CG1-CH2 4.42Å; I65-W81 HydrophobicContact CG1-CZ3 4.07Å; F77-W81 HydrophobicContact CD1-CE3 4.26Å; F77-W81 HydrophobicContact CE1-CD2 4.44Å; F77-W81 AromaticContact CE1-CE3 3.75Å; F77-W81 HydrophobicContact CE1-CE3 3.75Å; F77-W81 HydrophobicContact CE1-CZ3 4.23Å; F77-W81 PolarHBondContact O-N 2.9Å; E78-W81 PolarHBondContact O-N 3.31Å; W79-W81 VanDerWaalsContact C-N 3.32Å; W79-W81 PolarHBondContact O-N 3.05Å; W81-H106 PolarHBondContact NE1-O 3.49Å; W81-V109 HydrophobicContact CG-CG1 4.5Å; W81-V110 HydrophobicContact CD2-CB 4.24Å; W81-V110 HydrophobicContact CD2-CG2 4.26Å; W81-V110 HydrophobicContact CE3-CG2 4.27Å; W81-V110 HydrophobicContact CH2-CB 4.23Å; W81-V110 HydrophobicContact CH2-CG1 4.36Å; W81-V110 HydrophobicContact CH2-CG2 4.05Å; W81-V110 HydrophobicContact CZ2-CB 3.7Å; W81-V110 HydrophobicContact CZ2-CG1 3.85Å; W81-V110 HydrophobicContact CZ2-CG2 4.03Å; W81-V110 HydrophobicContact CZ3-CG2 4.17Å; W81-M113 HydrophobicContact CB-CE 4.01Å; W81-M113 HydrophobicContact CB-SD 3.7Å; W81-M113 HydrophobicContact CG-SD 4.07Å
82	Q	98.3	Very high	97.4	Very high	68 Å²	68	67.7 Å²	67.7	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-70.3	-31.8	173.5	-72.7	175.2	-2.5	0	0	112.7	I28 E78 W79 P84	I28-Q82 HydrophobicContact CB-CG 3.84Å; I28-Q82 HydrophobicContact CG2-CG 4.22Å; I28-Q82 PolarHBondContact O-NE2 3.48Å; E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3Å; E78-Q82 PolarHBondContact OE1-NE2 3.21Å; W79-Q82 PolarHBondContact O-N 3.12Å; Q82-P84 VanDerWaalsContact C-CD 3.47Å
83	H	97.8	Very high	97.3	Very high	75 Å²	75	63.3 Å²	63.3	35%	0.347	30%	0.295	S	S	.	.			trans	-129.9	59.2	-172	-49	93.3	0	0	0	112.2	W79 A80 H85 S86 S87	W79-H83 AromaticContact CD1-ND1 3.65Å; W79-H83 AromaticContact CE2-ND1 3.85Å; W79-H83 AromaticContact CG-ND1 3.94Å; W79-H83 HydrophobicContact CH2-CB 4.4Å; W79-H83 HydrophobicContact CZ2-CB 4.22Å; W79-H83 AromaticContact NE1-ND1 3.59Å; W79-H83 WeakPolarHBondContact O-CB 3.44Å; W79-H83 PolarHBondContact O-N 3.43Å; W79-H83 PolarHBondContact O-ND1 3.21Å; A80-H83 CarbonylContact O-C 3.47Å; A80-H83 PolarHBondContact O-N 2.95Å; H83-H85 PolarHBondContact O-N 3.26Å; H83-H85 VanDerWaalsContact O-N 3.16Å; H83-S86 PolarHBondContact O-N 3.11Å; H83-S87 PolarHBondContact O-N 2.77Å
84	P	97.6	Very high	97.3	Very high	6 Å²	6	66 Å²	66	4%	0.039	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37	-172.8	21.5	-32.9	0	0	0	112.8	A80 Q82 S86 S87 L90 F105 V109	A80-P84 VanDerWaalsContact O-CA 3.31Å; A80-P84 WeakPolarHBondContact O-CA 3.29Å; A80-P84 VanDerWaalsContact O-N 3.15Å; Q82-P84 VanDerWaalsContact C-CD 3.47Å; P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.35Å; P84-S87 PolarHBondContact O-N 3.05Å; P84-L90 HydrophobicContact CB-CB 4.5Å; P84-L90 HydrophobicContact CB-CD1 4.04Å; P84-L90 WeakPolarHBondContact O-CB 3.39Å; P84-F105 HydrophobicContact CG-CE1 4.23Å; P84-F105 HydrophobicContact CG-CZ 3.9Å; P84-V109 HydrophobicContact CB-CG1 3.92Å; P84-V109 HydrophobicContact CB-CG2 4.01Å; P84-V109 HydrophobicContact CG-CG1 4.41Å; P84-V109 HydrophobicContact CG-CG2 4.01Å
85	H	97.3	Very high	97.2	Very high	85 Å²	85	75.6 Å²	75.6	39%	0.394	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.8	-177.7	-50.3	-50.9	0	0	0	114.5	H83 V93 R95 F105	H83-H85 PolarHBondContact O-N 3.26Å; H83-H85 VanDerWaalsContact O-N 3.16Å; H85-V93 PolarHBondContact CE1-O 3.39Å; H85-V93 PolarHBondContact ND1-O 3.08Å; H85-R95 VanDerWaalsContact CE1-CA 3.47Å; H85-R95 WeakPolarHBondContact CE1-CA 3.34Å; H85-F105 AromaticContact NE2-CZ 3.65Å
86	S	97.6	Very high	97.1	Very high	81 Å²	81	78.5 Å²	78.5	57%	0.566	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-18.1	171.4	-54.7	0	0	0	0	111.6	H83 P84 R88	H83-S86 PolarHBondContact O-N 3.11Å; P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.35Å; S86-R88 PolarHBondContact O-N 2.96Å
87	S	96.8	Very high	97	Very high	10 Å²	10	72.9 Å²	72.9	7%	0.07	34%	0.343	C	S	.	.			trans	-78.9	119.1	178.9	179.9	0	0	0	0	110.8	H83 P84 R89 L90	H83-S87 PolarHBondContact O-N 2.77Å; P84-S87 PolarHBondContact O-N 3.05Å; S87-R89 PolarHBondContact O-N 3Å; S87-R89 PolarHBondContact OG-N 3.48Å; S87-L90 PolarHBondContact O-N 3Å
88	R	95.4	Very high	96.8	Very high	234 Å²	234	83.5 Å²	83.5	88%	0.883	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-57.3	-21.7	172.8	-67	177.4	60.8	-147.6	-1.8	113.6	S86 L90	S86-R88 PolarHBondContact O-N 2.96Å; R88-L90 VanDerWaalsContact C-N 3.31Å
89	R	95.3	Very high	96.6	Very high	127 Å²	127	93.4 Å²	93.4	48%	0.479	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-82.4	-9.6	179.9	-61.5	-177.9	178.5	-67	-6.3	113.4	S87 H92 V116 A117 W119	S87-R89 PolarHBondContact O-N 3Å; S87-R89 PolarHBondContact OG-N 3.48Å; R89-H92 PolarHBondContact O-CE1 3.16Å; R89-V116 HydrophobicContact CB-CG2 4.26Å; R89-A117 VanDerWaalsContact CD-O 3.23Å; R89-A117 WeakPolarHBondContact CD-O 3.22Å; R89-A117 VanDerWaalsContact CZ-O 3.28Å; R89-A117 PolarHBondContact NE-O 3.06Å; R89-A117 PolarHBondContact NH1-O 3.06Å; R89-W119 HydrophobicContact CB-CH2 4.28Å; R89-W119 HydrophobicContact CB-CZ3 4.12Å
90	L	96.6	Very high	96.5	Very high	0 Å²	0	89.1 Å²	89.1	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-129.5	24.8	-173.8	-58.9	172.5	0	0	0	111.2	A80 P84 S87 R88 H92 V93 V109 N112 M113 V116	A80-L90 HydrophobicContact CB-CD1 4.33Å; P84-L90 HydrophobicContact CB-CB 4.5Å; P84-L90 HydrophobicContact CB-CD1 4.04Å; P84-L90 WeakPolarHBondContact O-CB 3.39Å; S87-L90 PolarHBondContact O-N 3Å; R88-L90 VanDerWaalsContact C-N 3.31Å; L90-H92 PolarHBondContact O-N 3.08Å; L90-V93 HydrophobicContact CB-CB 4.33Å; L90-V93 HydrophobicContact CB-CG2 3.94Å; L90-V93 HydrophobicContact CD2-CG2 3.95Å; L90-V93 WeakPolarHBondContact O-CB 3.29Å; L90-V93 PolarHBondContact O-N 2.74Å; L90-V109 HydrophobicContact CD1-CG1 4.21Å; L90-N112 HydrophobicContact CD2-CB 4.26Å; L90-M113 HydrophobicContact CD1-CG 3.69Å; L90-M113 HydrophobicContact CD1-SD 4.06Å; L90-M113 HydrophobicContact CD2-CG 3.67Å; L90-M113 HydrophobicContact CG-CG 4.25Å; L90-V116 HydrophobicContact CD2-CG2 4.5Å
91	S	94.6	Very high	96.5	Very high	105 Å²	105	92.6 Å²	92.6	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27	176.9	53.7	0	0	0	0	112.7	V93	S91-V93 VanDerWaalsContact C-N 3.3Å
92	H	94.8	Very high	96.4	Very high	108 Å²	108	93.7 Å²	93.7	50%	0.5	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.8	174.6	65.9	-70.4	0	0	0	113.5	R89 L90 S94 N112	R89-H92 PolarHBondContact O-CE1 3.16Å; L90-H92 PolarHBondContact O-N 3.08Å; H92-S94 PolarHBondContact O-N 3.33Å; H92-N112 PolarHBondContact CD2-OD1 2.95Å; H92-N112 PolarHBondContact NE2-OD1 3.49Å
93	V	96.3	Very high	96.4	Very high	6 Å²	6	91.4 Å²	91.4	4%	0.036	43%	0.429	C	S	.	.	S	Bend	trans	-82.1	107.2	-179.8	-176.5	0	0	0	0	109.7	H85 L90 S91 V109 N112	H85-V93 PolarHBondContact CE1-O 3.39Å; H85-V93 PolarHBondContact ND1-O 3.08Å; L90-V93 HydrophobicContact CB-CB 4.33Å; L90-V93 HydrophobicContact CB-CG2 3.94Å; L90-V93 HydrophobicContact CD2-CG2 3.95Å; L90-V93 WeakPolarHBondContact O-CB 3.29Å; L90-V93 PolarHBondContact O-N 2.74Å; S91-V93 VanDerWaalsContact C-N 3.3Å; V93-V109 HydrophobicContact CG1-CG2 3.99Å; V93-N112 HydrophobicContact CG2-CB 3.8Å
94	S	96.2	Very high	96.4	Very high	76 Å²	76	91.6 Å²	91.6	53%	0.531	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.3	177.3	61.1	0	0	0	0	112.5	H92 R108	H92-S94 PolarHBondContact O-N 3.33Å; S94-R108 PolarHBondContact O-NH1 3.07Å; S94-R108 VanDerWaalsContact O-NH1 3.14Å; S94-R108 PolarHBondContact O-NH2 3.48Å; S94-R108 VanDerWaalsContact O-NH2 3.16Å; S94-R108 PolarHBondContact OG-NH1 3.39Å; S94-R108 VanDerWaalsContact OG-NH1 3.15Å
95	R	96.8	Very high	96.4	Very high	200 Å²	200	92 Å²	92	76%	0.755	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-57.5	151.9	174.6	-69.9	-175.6	175.8	167.8	1.1	111.5	H85 S97	H85-R95 VanDerWaalsContact CE1-CA 3.47Å; H85-R95 WeakPolarHBondContact CE1-CA 3.34Å; R95-S97 PolarHBondContact O-N 3.05Å
96	R	97	Very high	96.5	Very high	134 Å²	134	89.4 Å²	89.4	51%	0.506	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-55.8	129.7	177.1	-171.2	179.5	76	-173.1	4	111.1	E100 F105	R96-E100 WeakPolarHBondContact CA-OE2 3.26Å; R96-E100 HydrophobicContact CG-CB 4.07Å; R96-E100 HydrophobicContact CG-CG 4.23Å; R96-F105 HydrophobicContact CB-CB 4.19Å; R96-F105 HydrophobicContact CB-CD1 4.17Å; R96-F105 HydrophobicContact CB-CD2 3.55Å; R96-F105 HydrophobicContact CB-CE1 4.49Å; R96-F105 HydrophobicContact CB-CE2 3.93Å; R96-F105 HydrophobicContact CB-CG 3.68Å; R96-F105 HydrophobicContact CB-CZ 4.38Å; R96-F105 HydrophobicContact CG-CB 3.75Å; R96-F105 HydrophobicContact CG-CD2 4.02Å; R96-F105 HydrophobicContact CG-CG 3.83Å
97	S	96.1	Very high	96.5	Very high	60 Å²	60	86 Å²	86	42%	0.42	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-79.8	163.3	174	86.8	0	0	0	0	111.8	R95 R99 E100	R95-S97 PolarHBondContact O-N 3.05Å; S97-R99 PolarHBondContact O-N 3.46Å; S97-R99 PolarHBondContact OG-N 3.1Å; S97-E100 PolarHBondContact N-OE2 3.39Å; S97-E100 PolarHBondContact O-N 3.17Å; S97-E100 WeakPolarHBondContact OG-CB 3.07Å; S97-E100 PolarHBondContact OG-N 2.7Å
98	K	94.2	Very high	96.5	Very high	223 Å²	223	87.5 Å²	87.5	97%	0.97	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.1	176	-67.6	-176.1	-178.8	178.4	0	113.5
99	R	95.3	Very high	96.6	Very high	240 Å²	240	76.3 Å²	76.3	91%	0.906	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.8	-179.3	-53.1	-177.2	-149.7	-175.7	6.1	112.4	S97	S97-R99 PolarHBondContact O-N 3.46Å; S97-R99 PolarHBondContact OG-N 3.1Å
100	E	96.6	Very high	96.8	Very high	31 Å²	31	70.3 Å²	70.3	15%	0.145	33%	0.333	C	S	.	.	S	Bend	trans	-93.7	124.4	-177	-174.4	179.4	-149.4	0	0	110	R96 S97 Q104 F105 R108	R96-E100 WeakPolarHBondContact CA-OE2 3.26Å; R96-E100 HydrophobicContact CG-CB 4.07Å; R96-E100 HydrophobicContact CG-CG 4.23Å; S97-E100 PolarHBondContact N-OE2 3.39Å; S97-E100 PolarHBondContact O-N 3.17Å; S97-E100 WeakPolarHBondContact OG-CB 3.07Å; S97-E100 PolarHBondContact OG-N 2.7Å; E100-Q104 HydrophobicContact CG-CB 3.74Å; E100-F105 HydrophobicContact CG-CB 4.14Å; E100-F105 WeakPolarHBondContact OE1-CA 3.17Å; E100-R108 IonicContact OE1-CZ 3.48Å; E100-R108 IonicContact OE1-NE 2.81Å; E100-R108 PolarHBondContact OE1-NE 3.48Å; E100-R108 IonicContact OE1-NH2 3.29Å; E100-R108 PolarHBondContact OE1-NH2 3.12Å; E100-R108 IonicContact OE2-CZ 3.8Å; E100-R108 IonicContact OE2-NE 3.87Å; E100-R108 IonicContact OE2-NH2 2.88Å; E100-R108 PolarHBondContact OE2-NH2 3.06Å
101	T	97.3	Very high	96.9	Very high	75 Å²	75	70.4 Å²	70.4	46%	0.46	33%	0.334	S	S	.	.			trans	-65.5	160.3	174.4	65.2	0	0	0	0	111	L103 Q104 F105	T101-L103 PolarHBondContact O-N 3.11Å; T101-Q104 PolarHBondContact O-N 2.81Å; T101-Q104 WeakPolarHBondContact OG1-CB 3.25Å; T101-Q104 VanDerWaalsContact OG1-CD 3.31Å; T101-Q104 VanDerWaalsContact OG1-CG 3.25Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.42Å; T101-Q104 PolarHBondContact OG1-N 3.02Å; T101-Q104 VanDerWaalsContact OG1-N 3.14Å; T101-Q104 PolarHBondContact OG1-OE1 2.81Å; T101-F105 PolarHBondContact O-N 2.88Å
102	S	97.2	Very high	97	Very high	24 Å²	24	66.3 Å²	66.3	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-34.3	174.7	-163.3	0	0	0	0	112	I26 H106	I26-S102 WeakPolarHBondContact CG1-OG 3.49Å; S102-H106 PolarHBondContact O-N 3.37Å; S102-H106 PolarHBondContact O-ND1 2.71Å; S102-H106 PolarHBondContact OG-CE1 2.83Å
103	L	97.8	Very high	97.2	Very high	20 Å²	20	61.2 Å²	61.2	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-52.1	176.6	-179.9	63.9	0	0	0	111.2	M14 Y16 I26 V62 T101 F105 H106 W107 Y133 M135	M14-L103 HydrophobicContact CE-CD1 3.4Å; M14-L103 VanDerWaalsContact CE-CD1 3.4Å; M14-L103 HydrophobicContact SD-CD1 3.95Å; Y16-L103 HydrophobicContact CD2-CB 4.44Å; Y16-L103 HydrophobicContact CD2-CD1 4.41Å; Y16-L103 HydrophobicContact CD2-CD2 4.34Å; Y16-L103 HydrophobicContact CE2-CB 4.38Å; Y16-L103 HydrophobicContact CE2-CD2 4.31Å; I26-L103 HydrophobicContact CD1-CB 4.21Å; I26-L103 HydrophobicContact CD1-CD1 4.04Å; V62-L103 HydrophobicContact CG2-CD1 4.34Å; T101-L103 PolarHBondContact O-N 3.11Å; L103-F105 VanDerWaalsContact C-N 3.3Å; L103-F105 PolarHBondContact O-N 3.33Å; L103-H106 PolarHBondContact O-N 2.77Å; L103-W107 PolarHBondContact O-N 3.18Å; L103-Y133 HydrophobicContact CD2-CD1 3.91Å; L103-M135 HydrophobicContact CG-SD 4.33Å
104	Q	97.6	Very high	97.3	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-57.6	-42.6	178.8	-74.1	163.4	-38.6	0	0	112.2	E100 T101 W107 R108 M135	E100-Q104 HydrophobicContact CG-CB 3.74Å; T101-Q104 PolarHBondContact O-N 2.81Å; T101-Q104 WeakPolarHBondContact OG1-CB 3.25Å; T101-Q104 VanDerWaalsContact OG1-CD 3.31Å; T101-Q104 VanDerWaalsContact OG1-CG 3.25Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.42Å; T101-Q104 PolarHBondContact OG1-N 3.02Å; T101-Q104 VanDerWaalsContact OG1-N 3.14Å; T101-Q104 PolarHBondContact OG1-OE1 2.81Å; Q104-W107 PolarHBondContact O-N 2.93Å; Q104-R108 WeakPolarHBondContact O-CB 3.23Å; Q104-R108 PolarHBondContact O-N 2.77Å; Q104-M135 HydrophobicContact CB-CE 4.07Å; Q104-M135 HydrophobicContact CG-CE 3.64Å; Q104-M135 HydrophobicContact CG-SD 4.04Å
105	F	98.1	Very high	97.3	Very high	16 Å²	16	62.7 Å²	62.7	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-49.3	176.9	177.6	-113.8	0	0	0	112.7	P84 H85 R96 E100 T101 L103 W107 R108 V109	P84-F105 HydrophobicContact CG-CE1 4.23Å; P84-F105 HydrophobicContact CG-CZ 3.9Å; H85-F105 AromaticContact NE2-CZ 3.65Å; R96-F105 HydrophobicContact CB-CB 4.19Å; R96-F105 HydrophobicContact CB-CD1 4.17Å; R96-F105 HydrophobicContact CB-CD2 3.55Å; R96-F105 HydrophobicContact CB-CE1 4.49Å; R96-F105 HydrophobicContact CB-CE2 3.93Å; R96-F105 HydrophobicContact CB-CG 3.68Å; R96-F105 HydrophobicContact CB-CZ 4.38Å; R96-F105 HydrophobicContact CG-CB 3.75Å; R96-F105 HydrophobicContact CG-CD2 4.02Å; R96-F105 HydrophobicContact CG-CG 3.83Å; E100-F105 HydrophobicContact CG-CB 4.14Å; E100-F105 WeakPolarHBondContact OE1-CA 3.17Å; T101-F105 PolarHBondContact O-N 2.88Å; L103-F105 VanDerWaalsContact C-N 3.3Å; L103-F105 PolarHBondContact O-N 3.33Å; F105-W107 VanDerWaalsContact C-N 3.32Å; F105-W107 PolarHBondContact O-N 3.1Å; F105-R108 VanDerWaalsContact CD2-NH2 3.34Å; F105-R108 PolarHBondContact O-N 3.18Å; F105-V109 HydrophobicContact CD1-CG2 4.49Å; F105-V109 HydrophobicContact CD2-CG2 4.39Å; F105-V109 HydrophobicContact CE1-CG2 4.1Å; F105-V109 HydrophobicContact CE2-CG2 3.99Å; F105-V109 HydrophobicContact CZ-CG2 3.84Å; F105-V109 VanDerWaalsContact O-CG2 3.25Å; F105-V109 WeakPolarHBondContact O-CG2 3.42Å; F105-V109 PolarHBondContact O-N 3.34Å
106	H	98.4	Very high	97.2	Very high	29 Å²	29	54.8 Å²	54.8	13%	0.134	25%	0.247	C	C	.	.	H	α-helix	trans	-71.3	-30	-178.2	-71	79.9	0	0	0	111.8	M14 I26 W81 S102 L103 V110	M14-H106 HydrophobicContact SD-CB 3.67Å; I26-H106 HydrophobicContact CG2-CB 4.37Å; W81-H106 PolarHBondContact NE1-O 3.49Å; S102-H106 PolarHBondContact O-N 3.37Å; S102-H106 PolarHBondContact O-ND1 2.71Å; S102-H106 PolarHBondContact OG-CE1 2.83Å; L103-H106 PolarHBondContact O-N 2.77Å; H106-V110 PolarHBondContact O-N 3.05Å
107	W	97.9	Very high	97	Very high	9 Å²	9	51 Å²	51	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-53.8	168.1	176.3	-113.3	0	0	0	111.2	L63 L103 Q104 F105 V109 V110 S111 W128 M135 D136 F137	L63-W107 HydrophobicContact CD1-CZ3 4.4Å; L63-W107 HydrophobicContact CD2-CE3 3.85Å; L63-W107 HydrophobicContact CD2-CZ3 3.82Å; L103-W107 PolarHBondContact O-N 3.18Å; Q104-W107 PolarHBondContact O-N 2.93Å; F105-W107 VanDerWaalsContact C-N 3.32Å; F105-W107 PolarHBondContact O-N 3.1Å; W107-V109 VanDerWaalsContact C-N 3.26Å; W107-V109 PolarHBondContact O-N 3.21Å; W107-V110 HydrophobicContact CE3-CG1 3.76Å; W107-V110 HydrophobicContact CZ3-CG1 4.15Å; W107-V110 VanDerWaalsContact O-CG1 3.26Å; W107-V110 WeakPolarHBondContact O-CG1 3.41Å; W107-V110 PolarHBondContact O-N 3.22Å; W107-S111 PolarHBondContact O-N 2.75Å; W107-S111 PolarHBondContact O-OG 3.23Å; W107-W128 HydrophobicContact CD2-CH2 4.22Å; W107-W128 AromaticContact CD2-CZ2 3.88Å; W107-W128 HydrophobicContact CD2-CZ2 3.88Å; W107-W128 AromaticContact CE3-CH2 3.76Å; W107-W128 HydrophobicContact CE3-CH2 3.76Å; W107-W128 AromaticContact CE3-CZ2 3.41Å; W107-W128 HydrophobicContact CE3-CZ2 3.41Å; W107-W128 VanDerWaalsContact CE3-CZ2 3.41Å; W107-W128 AromaticContact CH2-CE2 4Å; W107-W128 AromaticContact CH2-CZ2 3.57Å; W107-W128 HydrophobicContact CH2-CZ2 3.57Å; W107-W128 AromaticContact CH2-NE1 3.89Å; W107-W128 HydrophobicContact CZ2-CZ2 4.04Å; W107-W128 AromaticContact CZ3-CE2 3.86Å; W107-W128 HydrophobicContact CZ3-CH2 4.02Å; W107-W128 AromaticContact CZ3-CZ2 3.25Å; W107-W128 HydrophobicContact CZ3-CZ2 3.25Å; W107-M135 HydrophobicContact CB-CE 3.99Å; W107-M135 HydrophobicContact CB-SD 3.72Å; W107-M135 HydrophobicContact CD2-CB 4.14Å; W107-M135 HydrophobicContact CG-CB 3.99Å; W107-M135 HydrophobicContact CG-CE 3.83Å; W107-M135 HydrophobicContact CG-SD 3.83Å; W107-M135 WeakPolarHBondContact CZ2-O 3.23Å; W107-D136 PolarHBondContact NE1-O 2.83Å; W107-D136 VanDerWaalsContact NE1-O 3.08Å; W107-F137 HydrophobicContact CH2-CD1 4.39Å; W107-F137 HydrophobicContact CH2-CD2 4.04Å; W107-F137 AromaticContact CH2-CE1 3.81Å; W107-F137 HydrophobicContact CH2-CE1 3.81Å; W107-F137 AromaticContact CH2-CE2 3.34Å; W107-F137 HydrophobicContact CH2-CE2 3.34Å; W107-F137 AromaticContact CH2-CZ 3.23Å; W107-F137 HydrophobicContact CH2-CZ 3.23Å; W107-F137 AromaticContact CZ2-CD1 3.9Å; W107-F137 HydrophobicContact CZ2-CD1 3.9Å; W107-F137 AromaticContact CZ2-CD2 3.68Å; W107-F137 HydrophobicContact CZ2-CD2 3.68Å; W107-F137 AromaticContact CZ2-CE1 3.77Å; W107-F137 HydrophobicContact CZ2-CE1 3.77Å; W107-F137 AromaticContact CZ2-CE2 3.49Å; W107-F137 HydrophobicContact CZ2-CE2 3.49Å; W107-F137 VanDerWaalsContact CZ2-CE2 3.49Å; W107-F137 AromaticContact CZ2-CG 3.87Å; W107-F137 HydrophobicContact CZ2-CG 3.87Å; W107-F137 AromaticContact CZ2-CZ 3.56Å; W107-F137 HydrophobicContact CZ2-CZ 3.56Å; W107-F137 HydrophobicContact CZ3-CZ 4.16Å
108	R	97.4	Very high	96.9	Very high	42 Å²	42	51 Å²	51	16%	0.158	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-39.9	178.1	-178.6	170.1	58.9	88.8	-9.3	112.6	S94 E100 Q104 F105 N112	S94-R108 PolarHBondContact O-NH1 3.07Å; S94-R108 VanDerWaalsContact O-NH1 3.14Å; S94-R108 PolarHBondContact O-NH2 3.48Å; S94-R108 VanDerWaalsContact O-NH2 3.16Å; S94-R108 PolarHBondContact OG-NH1 3.39Å; S94-R108 VanDerWaalsContact OG-NH1 3.15Å; E100-R108 IonicContact OE1-CZ 3.48Å; E100-R108 IonicContact OE1-NE 2.81Å; E100-R108 PolarHBondContact OE1-NE 3.48Å; E100-R108 IonicContact OE1-NH2 3.29Å; E100-R108 PolarHBondContact OE1-NH2 3.12Å; E100-R108 IonicContact OE2-CZ 3.8Å; E100-R108 IonicContact OE2-NE 3.87Å; E100-R108 IonicContact OE2-NH2 2.88Å; E100-R108 PolarHBondContact OE2-NH2 3.06Å; Q104-R108 WeakPolarHBondContact O-CB 3.23Å; Q104-R108 PolarHBondContact O-N 2.77Å; F105-R108 VanDerWaalsContact CD2-NH2 3.34Å; F105-R108 PolarHBondContact O-N 3.18Å; R108-N112 PolarHBondContact O-N 3.42Å; R108-N112 VanDerWaalsContact O-N 3.16Å; R108-N112 PolarHBondContact O-ND2 3.47Å
109	V	98.3	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-52.5	174.6	171.5	0	0	0	0	110.6	W81 P84 L90 V93 F105 W107 S111 N112 M113	W81-V109 HydrophobicContact CG-CG1 4.5Å; P84-V109 HydrophobicContact CB-CG1 3.92Å; P84-V109 HydrophobicContact CB-CG2 4.01Å; P84-V109 HydrophobicContact CG-CG1 4.41Å; P84-V109 HydrophobicContact CG-CG2 4.01Å; L90-V109 HydrophobicContact CD1-CG1 4.21Å; V93-V109 HydrophobicContact CG1-CG2 3.99Å; F105-V109 HydrophobicContact CD1-CG2 4.49Å; F105-V109 HydrophobicContact CD2-CG2 4.39Å; F105-V109 HydrophobicContact CE1-CG2 4.1Å; F105-V109 HydrophobicContact CE2-CG2 3.99Å; F105-V109 HydrophobicContact CZ-CG2 3.84Å; F105-V109 VanDerWaalsContact O-CG2 3.25Å; F105-V109 WeakPolarHBondContact O-CG2 3.42Å; F105-V109 PolarHBondContact O-N 3.34Å; W107-V109 VanDerWaalsContact C-N 3.26Å; W107-V109 PolarHBondContact O-N 3.21Å; V109-S111 PolarHBondContact O-N 2.97Å; V109-N112 WeakPolarHBondContact O-CB 3.35Å; V109-N112 PolarHBondContact O-N 3.41Å; V109-M113 HydrophobicContact CG1-CG 4.4Å; V109-M113 HydrophobicContact CG1-SD 3.86Å; V109-M113 WeakPolarHBondContact O-CG 3.43Å; V109-M113 PolarHBondContact O-N 3.45Å
110	V	98.4	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-34.6	-177.1	76.9	0	0	0	0	112.2	L63 I65 F77 W81 H106 W107 N112 M113 L114	L63-V110 HydrophobicContact CD2-CG1 4.08Å; I65-V110 HydrophobicContact CD1-CG2 4.09Å; I65-V110 HydrophobicContact CG1-CG2 3.89Å; F77-V110 HydrophobicContact CE1-CG2 3.85Å; F77-V110 HydrophobicContact CZ-CG2 3.58Å; W81-V110 HydrophobicContact CD2-CB 4.24Å; W81-V110 HydrophobicContact CD2-CG2 4.26Å; W81-V110 HydrophobicContact CE3-CG2 4.27Å; W81-V110 HydrophobicContact CH2-CB 4.23Å; W81-V110 HydrophobicContact CH2-CG1 4.36Å; W81-V110 HydrophobicContact CH2-CG2 4.05Å; W81-V110 HydrophobicContact CZ2-CB 3.7Å; W81-V110 HydrophobicContact CZ2-CG1 3.85Å; W81-V110 HydrophobicContact CZ2-CG2 4.03Å; W81-V110 HydrophobicContact CZ3-CG2 4.17Å; H106-V110 PolarHBondContact O-N 3.05Å; W107-V110 HydrophobicContact CE3-CG1 3.76Å; W107-V110 HydrophobicContact CZ3-CG1 4.15Å; W107-V110 VanDerWaalsContact O-CG1 3.26Å; W107-V110 WeakPolarHBondContact O-CG1 3.41Å; W107-V110 PolarHBondContact O-N 3.22Å; V110-N112 VanDerWaalsContact C-N 3.28Å; V110-N112 PolarHBondContact O-N 2.81Å; V110-M113 WeakPolarHBondContact O-CB 3.25Å; V110-M113 PolarHBondContact O-N 2.98Å; V110-L114 WeakPolarHBondContact O-CG 3.24Å; V110-L114 PolarHBondContact O-N 2.97Å
111	S	97.9	Very high	97	Very high	2 Å²	2	31 Å²	31	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-38.2	173.1	-55.3	0	0	0	0	112.3	W107 V109 F137	W107-S111 PolarHBondContact O-N 2.75Å; W107-S111 PolarHBondContact O-OG 3.23Å; V109-S111 PolarHBondContact O-N 2.97Å; S111-F137 WeakPolarHBondContact OG-CD1 3.45Å; S111-F137 WeakPolarHBondContact OG-CE1 3.39Å
112	N	97.9	Very high	96.9	Very high	20 Å²	20	28 Å²	28	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-40.9	171.4	-82.5	-87	0	0	0	112.1	L90 H92 V93 R108 V109 V110 L114 R115	L90-N112 HydrophobicContact CD2-CB 4.26Å; H92-N112 PolarHBondContact CD2-OD1 2.95Å; H92-N112 PolarHBondContact NE2-OD1 3.49Å; V93-N112 HydrophobicContact CG2-CB 3.8Å; R108-N112 PolarHBondContact O-N 3.42Å; R108-N112 VanDerWaalsContact O-N 3.16Å; R108-N112 PolarHBondContact O-ND2 3.47Å; V109-N112 WeakPolarHBondContact O-CB 3.35Å; V109-N112 PolarHBondContact O-N 3.41Å; V110-N112 VanDerWaalsContact C-N 3.28Å; V110-N112 PolarHBondContact O-N 2.81Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 2.89Å; N112-R115 PolarHBondContact O-N 3.12Å; N112-R115 VanDerWaalsContact O-N 3.16Å
113	M	98.2	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-41.3	179.3	-70.3	173	68.6	0	0	112.6	F77 A80 W81 L90 V109 V110 R115 V116 W119	F77-M113 HydrophobicContact CB-CE 4.39Å; F77-M113 HydrophobicContact CD1-CE 3.54Å; F77-M113 HydrophobicContact CD2-CE 3.63Å; F77-M113 HydrophobicContact CE1-CE 3.59Å; F77-M113 HydrophobicContact CE1-SD 4.33Å; F77-M113 HydrophobicContact CE2-CB 4.04Å; F77-M113 HydrophobicContact CE2-CE 3.68Å; F77-M113 HydrophobicContact CG-CE 3.56Å; F77-M113 HydrophobicContact CZ-CB 4.1Å; F77-M113 HydrophobicContact CZ-CE 3.66Å; F77-M113 HydrophobicContact CZ-SD 4.32Å; F77-M113 VanDerWaalsContact O-CE 3.23Å; F77-M113 WeakPolarHBondContact O-CE 3.22Å; A80-M113 HydrophobicContact CB-CE 3.91Å; W81-M113 HydrophobicContact CB-CE 4.01Å; W81-M113 HydrophobicContact CB-SD 3.7Å; W81-M113 HydrophobicContact CG-SD 4.07Å; L90-M113 HydrophobicContact CD1-CG 3.69Å; L90-M113 HydrophobicContact CD1-SD 4.06Å; L90-M113 HydrophobicContact CD2-CG 3.67Å; L90-M113 HydrophobicContact CG-CG 4.25Å; V109-M113 HydrophobicContact CG1-CG 4.4Å; V109-M113 HydrophobicContact CG1-SD 3.86Å; V109-M113 WeakPolarHBondContact O-CG 3.43Å; V109-M113 PolarHBondContact O-N 3.45Å; V110-M113 WeakPolarHBondContact O-CB 3.25Å; V110-M113 PolarHBondContact O-N 2.98Å; M113-R115 PolarHBondContact O-N 3.25Å; M113-V116 PolarHBondContact O-N 2.94Å; M113-W119 HydrophobicContact CB-CE3 3.9Å; M113-W119 HydrophobicContact CB-CZ3 4.05Å; M113-W119 HydrophobicContact CE-CE3 4.35Å; M113-W119 HydrophobicContact CE-CH2 3.88Å; M113-W119 HydrophobicContact CE-CZ2 4.03Å; M113-W119 HydrophobicContact CE-CZ3 4.05Å; M113-W119 HydrophobicContact CG-CE3 4.27Å; M113-W119 HydrophobicContact CG-CH2 4.49Å; M113-W119 HydrophobicContact CG-CZ3 3.89Å
114	L	97.9	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.3	179.8	-65.3	176.3	0	0	0	113.6	I65 F77 V110 N112 S120 L124 A126 F137 P143 P144 I147	I65-L114 HydrophobicContact CG2-CD2 4.29Å; F77-L114 HydrophobicContact CE2-CD2 4.38Å; F77-L114 HydrophobicContact CZ-CD2 4.37Å; V110-L114 WeakPolarHBondContact O-CG 3.24Å; V110-L114 PolarHBondContact O-N 2.97Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 2.89Å; L114-S120 WeakPolarHBondContact O-CA 3.47Å; L114-S120 WeakPolarHBondContact O-CB 3.15Å; L114-L124 HydrophobicContact CD2-CD1 4.06Å; L114-A126 HydrophobicContact CD1-CB 4.17Å; L114-F137 HydrophobicContact CD1-CE1 4.3Å; L114-F137 HydrophobicContact CD1-CZ 4.15Å; L114-P143 HydrophobicContact CB-CB 4.2Å; L114-P143 HydrophobicContact CD1-CB 4.27Å; L114-P144 VanDerWaalsContact O-CD 3.3Å; L114-P144 WeakPolarHBondContact O-CD 3.36Å; L114-I147 HydrophobicContact CD2-CD1 4.46Å; L114-I147 HydrophobicContact CD2-CG2 4.3Å
115	R	96.3	Very high	96.7	Very high	114 Å²	114	24.9 Å²	24.9	43%	0.43	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-4.9	-178.9	-65.6	176.3	62.9	119.8	-8.1	114.4	N112 M113 G140 L141 Q142	N112-R115 PolarHBondContact O-N 3.12Å; N112-R115 VanDerWaalsContact O-N 3.16Å; M113-R115 PolarHBondContact O-N 3.25Å; R115-G140 PolarHBondContact NH1-O 3.01Å; R115-G140 PolarHBondContact NH2-O 3.12Å; R115-L141 WeakPolarHBondContact CD-O 3.46Å; R115-Q142 WeakPolarHBondContact CD-O 3.4Å; R115-Q142 PolarHBondContact NH1-O 3.34Å
116	V	95.1	Very high	96.6	Very high	33 Å²	33	24.1 Å²	24.1	20%	0.2	13%	0.128	C	C	.	.	S	Bend	trans	-111	145.4	-179.2	-57.1	0	0	0	0	112	R89 L90 M113 W119 S120	R89-V116 HydrophobicContact CB-CG2 4.26Å; L90-V116 HydrophobicContact CD2-CG2 4.5Å; M113-V116 PolarHBondContact O-N 2.94Å; V116-W119 HydrophobicContact CG2-CE3 3.46Å; V116-W119 VanDerWaalsContact CG2-CE3 3.46Å; V116-W119 HydrophobicContact CG2-CZ3 3.52Å; V116-W119 PolarHBondContact O-N 3.38Å; V116-S120 PolarHBondContact O-N 2.77Å; V116-S120 VanDerWaalsContact O-N 3.09Å
117	A	93.2	Very high	96.6	Very high	56 Å²	56	23.7 Å²	23.7	46%	0.463	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	147.9	174	0	0	0	0	0	110.7	R89 W119	R89-A117 VanDerWaalsContact CD-O 3.23Å; R89-A117 WeakPolarHBondContact CD-O 3.22Å; R89-A117 VanDerWaalsContact CZ-O 3.28Å; R89-A117 PolarHBondContact NE-O 3.06Å; R89-A117 PolarHBondContact NH1-O 3.06Å; A117-W119 VanDerWaalsContact C-N 3.32Å
118	P	93.2	Very high	96.6	Very high	59 Å²	59	23.4 Å²	23.4	38%	0.383	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-7.6	-2.2	35.4	-36.3	0	0	0	113.4	S120 R121	P118-S120 PolarHBondContact O-N 3.03Å; P118-R121 PolarHBondContact O-N 3.26Å
119	W	96.8	Very high	96.5	Very high	10 Å²	10	22.2 Å²	22.2	4%	0.038	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69	-31.4	-166.2	-52.3	-53.5	0	0	0	113.7	F77 A80 R89 M113 V116 A117 R121 L122 L124	F77-W119 HydrophobicContact CD2-CB 4.27Å; F77-W119 AromaticContact CD2-CD1 3.5Å; F77-W119 VanDerWaalsContact CD2-CD1 3.5Å; F77-W119 AromaticContact CD2-CD2 3.83Å; F77-W119 HydrophobicContact CD2-CD2 3.83Å; F77-W119 AromaticContact CD2-CE2 3.8Å; F77-W119 AromaticContact CD2-CG 3.62Å; F77-W119 HydrophobicContact CD2-CG 3.62Å; F77-W119 AromaticContact CD2-NE1 3.56Å; F77-W119 HydrophobicContact CE2-CB 4.23Å; F77-W119 HydrophobicContact CE2-CD2 4.23Å; F77-W119 AromaticContact CE2-CG 3.99Å; F77-W119 HydrophobicContact CE2-CG 3.99Å; A80-W119 HydrophobicContact CB-CH2 3.5Å; A80-W119 VanDerWaalsContact CB-CH2 3.5Å; A80-W119 HydrophobicContact CB-CZ2 3.79Å; R89-W119 HydrophobicContact CB-CH2 4.28Å; R89-W119 HydrophobicContact CB-CZ3 4.12Å; M113-W119 HydrophobicContact CB-CE3 3.9Å; M113-W119 HydrophobicContact CB-CZ3 4.05Å; M113-W119 HydrophobicContact CE-CE3 4.35Å; M113-W119 HydrophobicContact CE-CH2 3.88Å; M113-W119 HydrophobicContact CE-CZ2 4.03Å; M113-W119 HydrophobicContact CE-CZ3 4.05Å; M113-W119 HydrophobicContact CG-CE3 4.27Å; M113-W119 HydrophobicContact CG-CH2 4.49Å; M113-W119 HydrophobicContact CG-CZ3 3.89Å; V116-W119 HydrophobicContact CG2-CE3 3.46Å; V116-W119 VanDerWaalsContact CG2-CE3 3.46Å; V116-W119 HydrophobicContact CG2-CZ3 3.52Å; V116-W119 PolarHBondContact O-N 3.38Å; A117-W119 VanDerWaalsContact C-N 3.32Å; W119-R121 PolarHBondContact O-N 3.39Å; W119-R121 VanDerWaalsContact O-N 3.08Å; W119-L122 PolarHBondContact O-N 2.89Å; W119-L122 VanDerWaalsContact O-N 3.1Å; W119-L124 HydrophobicContact CB-CD1 4.3Å
120	S	96.4	Very high	96.4	Very high	23 Å²	23	26.5 Å²	26.5	16%	0.161	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-66.9	-3.7	179.1	63.3	0	0	0	0	115.7	L114 V116 P118 H146	L114-S120 WeakPolarHBondContact O-CA 3.47Å; L114-S120 WeakPolarHBondContact O-CB 3.15Å; V116-S120 PolarHBondContact O-N 2.77Å; V116-S120 VanDerWaalsContact O-N 3.09Å; P118-S120 PolarHBondContact O-N 3.03Å; S120-H146 PolarHBondContact O-CE1 3.03Å; S120-H146 PolarHBondContact O-NE2 3.2Å
121	R	96.1	Very high	96.1	Very high	40 Å²	40	32.8 Å²	32.8	15%	0.151	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-123.7	8.8	173.9	-59.1	-174.2	71.7	100.2	-4.3	112.4	P118 W119 E212 H215 L217 V219	P118-R121 PolarHBondContact O-N 3.26Å; W119-R121 PolarHBondContact O-N 3.39Å; W119-R121 VanDerWaalsContact O-N 3.08Å; R121-E212 IonicContact CZ-OE2 3.57Å; R121-E212 IonicContact NH1-OE1 2.81Å; R121-E212 PolarHBondContact NH1-OE1 2.9Å; R121-E212 IonicContact NH1-OE2 3.06Å; R121-E212 PolarHBondContact NH1-OE2 2.85Å; R121-E212 IonicContact NH2-OE2 3.37Å; R121-E212 PolarHBondContact NH2-OE2 3.19Å; R121-H215 PolarHBondContact NH1-CD2 3.18Å; R121-L217 VanDerWaalsContact CZ-O 3.26Å; R121-L217 PolarHBondContact NE-O 2.84Å; R121-L217 PolarHBondContact NH2-O 2.9Å; R121-V219 HydrophobicContact CB-CG2 3.83Å; R121-V219 HydrophobicContact CG-CG2 3.79Å
122	L	95.9	Very high	96	Very high	14 Å²	14	39 Å²	39	7%	0.073	20%	0.196	C	C	.	.	S	Bend	trans	-85.7	148.2	173.9	-66.1	-176.7	0	0	0	109.3	F68 P69 W119 L124 H146 L217	F68-L122 HydrophobicContact CD1-CD1 4.29Å; P69-L122 HydrophobicContact CG-CD2 4.14Å; W119-L122 PolarHBondContact O-N 2.89Å; W119-L122 VanDerWaalsContact O-N 3.1Å; L122-L124 HydrophobicContact CB-CD1 4.11Å; L122-L124 HydrophobicContact CB-CD2 3.94Å; L122-L124 HydrophobicContact CB-CG 3.66Å; L122-L124 HydrophobicContact CD1-CD2 4.42Å; L122-L124 PolarHBondContact O-N 2.99Å; L122-H146 PolarHBondContact O-NE2 3.28Å; L122-L217 HydrophobicContact CD2-CD1 4.19Å
123	P	94.3	Very high	95.9	Very high	38 Å²	38	39.7 Å²	39.7	25%	0.247	20%	0.197	C	C	.	.			trans	-78.9	57.1	-179.1	36	-38.1	0	0	0	111.4	R237	P123-R237 PolarHBondContact O-NH2 2.79Å
124	L	96.3	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.			trans	-80.6	157.6	-175.9	-56.6	178	0	0	0	110.9	I65 H66 F68 F77 L114 W119 L122 I147 P148	I65-L124 HydrophobicContact CG2-CB 4.22Å; I65-L124 HydrophobicContact CG2-CD1 4.16Å; H66-L124 CarbonylContact O-C 3.52Å; H66-L124 VanDerWaalsContact O-CA 3.23Å; H66-L124 WeakPolarHBondContact O-CA 3.45Å; F68-L124 HydrophobicContact CD1-CD2 3.57Å; F68-L124 HydrophobicContact CD2-CD2 4.14Å; F68-L124 HydrophobicContact CE1-CD1 4.15Å; F68-L124 HydrophobicContact CE1-CD2 3.61Å; F68-L124 HydrophobicContact CE2-CD2 4.18Å; F68-L124 HydrophobicContact CG-CD2 3.83Å; F68-L124 HydrophobicContact CZ-CD1 4.37Å; F68-L124 HydrophobicContact CZ-CD2 3.91Å; F77-L124 HydrophobicContact CE2-CD1 4.35Å; L114-L124 HydrophobicContact CD2-CD1 4.06Å; W119-L124 HydrophobicContact CB-CD1 4.3Å; L122-L124 HydrophobicContact CB-CD1 4.11Å; L122-L124 HydrophobicContact CB-CD2 3.94Å; L122-L124 HydrophobicContact CB-CG 3.66Å; L122-L124 HydrophobicContact CD1-CD2 4.42Å; L122-L124 PolarHBondContact O-N 2.99Å; L124-I147 HydrophobicContact CB-CD1 4.42Å; L124-I147 HydrophobicContact CB-CG2 4.19Å; L124-I147 WeakPolarHBondContact O-CA 3.44Å; L124-P148 WeakPolarHBondContact O-CD 3.4Å
125	T	96.3	Very high	95.6	Very high	17 Å²	17	47.7 Å²	47.7	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.5	167.1	-61	0	0	0	0	108	I65 H66 R127 P148 A150	I65-T125 WeakPolarHBondContact CA-O 3.34Å; H66-T125 PolarHBondContact N-O 2.9Å; H66-T125 WeakPolarHBondContact NE2-CB 3.27Å; H66-T125 WeakPolarHBondContact NE2-CG2 3.22Å; H66-T125 PolarHBondContact O-N 2.82Å; T125-R127 HydrophobicContact CG2-CB 4.46Å; T125-P148 HydrophobicContact CG2-CG 4.09Å; T125-A150 HydrophobicContact CG2-CB 3.8Å
126	A	97.3	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.6	170.8	0	0	0	0	0	108.9	I65 L114 P148 I149 A150	I65-A126 HydrophobicContact CD1-CB 3.48Å; I65-A126 VanDerWaalsContact CD1-CB 3.48Å; L114-A126 HydrophobicContact CD1-CB 4.17Å; A126-P148 PolarHBondContact N-O 2.84Å; A126-I149 HydrophobicContact CB-CD1 3.68Å; A126-I149 CarbonylContact O-C 3.32Å; A126-I149 WeakPolarHBondContact O-CA 3.41Å; A126-A150 PolarHBondContact O-N 2.9Å
127	R	96.9	Very high	95.4	Very high	20 Å²	20	46.5 Å²	46.5	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.5	-171.6	-177	-179.3	-74.1	-79.9	0.2	112.2	L63 I64 T125 L129 A150 F151 G152	L63-R127 WeakPolarHBondContact CA-O 3.43Å; L63-R127 WeakPolarHBondContact CD1-O 3.27Å; I64-R127 HydrophobicContact CG2-CB 3.97Å; I64-R127 HydrophobicContact CG2-CG 4.48Å; I64-R127 PolarHBondContact N-O 2.96Å; I64-R127 PolarHBondContact O-N 3.43Å; T125-R127 HydrophobicContact CG2-CB 4.46Å; R127-L129 HydrophobicContact CG-CD2 4Å; R127-A150 CarbonylContact C-O 3.6Å; R127-A150 VanDerWaalsContact CA-O 3.27Å; R127-A150 WeakPolarHBondContact CA-O 3.33Å; R127-A150 HydrophobicContact CB-CB 4.24Å; R127-A150 HydrophobicContact CG-CB 4.14Å; R127-F151 PolarHBondContact NH1-O 3Å; R127-G152 VanDerWaalsContact CD-O 3.3Å; R127-G152 WeakPolarHBondContact CD-O 3.26Å
128	W	97.5	Very high	95.3	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.4	170.6	-69.2	105.8	0	0	0	110	M14 L63 W107 Y133 M135 A150 F151 G152	M14-W128 HydrophobicContact CE-CZ3 4.44Å; L63-W128 HydrophobicContact CB-CE3 3.97Å; L63-W128 HydrophobicContact CB-CZ3 3.96Å; L63-W128 HydrophobicContact CD1-CD2 3.93Å; L63-W128 HydrophobicContact CD1-CE3 4.17Å; L63-W128 HydrophobicContact CD1-CG 4.3Å; L63-W128 HydrophobicContact CD1-CZ2 4.49Å; L63-W128 HydrophobicContact CD2-CH2 4.36Å; W107-W128 HydrophobicContact CD2-CH2 4.22Å; W107-W128 AromaticContact CD2-CZ2 3.88Å; W107-W128 HydrophobicContact CD2-CZ2 3.88Å; W107-W128 AromaticContact CE3-CH2 3.76Å; W107-W128 HydrophobicContact CE3-CH2 3.76Å; W107-W128 AromaticContact CE3-CZ2 3.41Å; W107-W128 HydrophobicContact CE3-CZ2 3.41Å; W107-W128 VanDerWaalsContact CE3-CZ2 3.41Å; W107-W128 AromaticContact CH2-CE2 4Å; W107-W128 AromaticContact CH2-CZ2 3.57Å; W107-W128 HydrophobicContact CH2-CZ2 3.57Å; W107-W128 AromaticContact CH2-NE1 3.89Å; W107-W128 HydrophobicContact CZ2-CZ2 4.04Å; W107-W128 AromaticContact CZ3-CE2 3.86Å; W107-W128 HydrophobicContact CZ3-CH2 4.02Å; W107-W128 AromaticContact CZ3-CZ2 3.25Å; W107-W128 HydrophobicContact CZ3-CZ2 3.25Å; W128-Y133 WeakPolarHBondContact CH2-O 3.36Å; W128-Y133 WeakPolarHBondContact CZ3-O 3.34Å; W128-M135 HydrophobicContact CH2-CB 4.36Å; W128-M135 HydrophobicContact CZ2-CB 4.2Å; W128-A150 PolarHBondContact N-O 3.49Å; W128-F151 HydrophobicContact CB-CD1 3.76Å; W128-F151 HydrophobicContact CB-CE1 3.96Å; W128-F151 AromaticContact CD1-CE1 3.67Å; W128-F151 HydrophobicContact CG-CD1 4.39Å; W128-F151 HydrophobicContact CG-CE1 4.1Å; W128-F151 CarbonylContact O-C 3.5Å; W128-F151 WeakPolarHBondContact O-CA 3.38Å; W128-G152 PolarHBondContact O-N 3.31Å
129	L	96.6	Very high	95.1	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	25%	0.251	C	S	.	.	S	Bend	trans	-88.7	-18.3	179.8	-55.1	179.9	0	0	0	112.3	M61 V62 I64 R127 G152 V154	M61-L129 HydrophobicContact CB-CD1 3.91Å; M61-L129 HydrophobicContact CG-CD1 3.56Å; M61-L129 WeakPolarHBondContact O-CB 3.5Å; M61-L129 HydrophobicContact SD-CD1 3.53Å; M61-L129 VanDerWaalsContact SD-CD1 3.53Å; V62-L129 PolarHBondContact O-N 3.49Å; I64-L129 HydrophobicContact CB-CD1 4.43Å; I64-L129 HydrophobicContact CG2-CD1 4.07Å; I64-L129 HydrophobicContact CG2-CD2 3.87Å; I64-L129 HydrophobicContact CG2-CG 4.05Å; R127-L129 HydrophobicContact CG-CD2 4Å; L129-G152 WeakPolarHBondContact CD2-O 3.42Å; L129-V154 HydrophobicContact CD2-CG1 4.07Å
130	R	96.2	Very high	94.8	Very high	89 Å²	89	53.2 Å²	53.2	34%	0.336	28%	0.275	S	S	.	.			trans	-133.9	108.8	179.7	-66	-64.7	-172.6	-125.8	6.3	108.6	V62 E132 Y133	V62-R130 HydrophobicContact CG1-CB 4.42Å; R130-E132 VanDerWaalsContact C-N 3.27Å; R130-E132 VanDerWaalsContact C-OE2 3.23Å; R130-E132 WeakPolarHBondContact CA-OE2 3.34Å; R130-E132 PolarHBondContact O-N 3.45Å; R130-Y133 HydrophobicContact CB-CD2 3.48Å; R130-Y133 VanDerWaalsContact CB-CD2 3.48Å; R130-Y133 HydrophobicContact CB-CE2 3.92Å; R130-Y133 HydrophobicContact CG-CD2 4.35Å; R130-Y133 HydrophobicContact CG-CE2 4.37Å; R130-Y133 PolarHBondContact O-N 2.8Å
131	Q	92.3	Very high	94.7	Very high	132 Å²	132	53.4 Å²	53.4	62%	0.617	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-69.5	-27.7	-169.5	-173.4	170.2	-3.7	0	0	112.3	Y133 R134	Q131-Y133 PolarHBondContact O-N 2.93Å; Q131-R134 WeakPolarHBondContact O-CB 3.29Å; Q131-R134 PolarHBondContact O-N 3.02Å
132	E	94.9	Very high	94.6	Very high	132 Å²	132	56 Å²	56	62%	0.617	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-64.5	-16.6	176.5	66.1	-86.6	-153.3	0	0	113.8	R130	R130-E132 VanDerWaalsContact C-N 3.27Å; R130-E132 VanDerWaalsContact C-OE2 3.23Å; R130-E132 WeakPolarHBondContact CA-OE2 3.34Å; R130-E132 PolarHBondContact O-N 3.45Å
133	Y	96	Very high	94.6	Very high	35 Å²	35	56 Å²	56	14%	0.137	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.7	1.4	174	-60.3	-87.4	0	0	0	113.4	Y16 T18 E60 V62 L103 W128 R130 Q131 M135	Y16-Y133 HydrophobicContact CD1-CD1 4.48Å; Y16-Y133 AromaticContact CD1-CE1 3.46Å; Y16-Y133 HydrophobicContact CD1-CE1 3.46Å; Y16-Y133 VanDerWaalsContact CD1-CE1 3.46Å; Y16-Y133 AromaticContact CD1-CZ 3.78Å; Y16-Y133 WeakPolarHBondContact CD1-OH 3.33Å; Y16-Y133 HydrophobicContact CD2-CD1 4.27Å; Y16-Y133 AromaticContact CD2-CE1 3.95Å; Y16-Y133 HydrophobicContact CD2-CE1 3.95Å; Y16-Y133 AromaticContact CE1-CE1 3.65Å; Y16-Y133 HydrophobicContact CE1-CE1 3.65Å; Y16-Y133 HydrophobicContact CE2-CE1 4.11Å; Y16-Y133 HydrophobicContact CG-CD1 4.25Å; Y16-Y133 AromaticContact CG-CE1 3.62Å; Y16-Y133 HydrophobicContact CG-CE1 3.62Å; Y16-Y133 AromaticContact CZ-CE1 3.97Å; T18-Y133 VanDerWaalsContact CG2-OH 3.29Å; T18-Y133 WeakPolarHBondContact CG2-OH 3.45Å; E60-Y133 VanDerWaalsContact OE2-CE2 3.23Å; E60-Y133 WeakPolarHBondContact OE2-CE2 3.23Å; E60-Y133 PolarHBondContact OE2-OH 3.01Å; V62-Y133 HydrophobicContact CB-CD2 4.08Å; V62-Y133 HydrophobicContact CB-CG 4.06Å; V62-Y133 HydrophobicContact CG1-CD1 4.08Å; V62-Y133 HydrophobicContact CG1-CD2 3.43Å; V62-Y133 VanDerWaalsContact CG1-CD2 3.43Å; V62-Y133 HydrophobicContact CG1-CE1 4.26Å; V62-Y133 HydrophobicContact CG1-CE2 3.63Å; V62-Y133 HydrophobicContact CG1-CG 3.65Å; L103-Y133 HydrophobicContact CD2-CD1 3.91Å; W128-Y133 WeakPolarHBondContact CH2-O 3.36Å; W128-Y133 WeakPolarHBondContact CZ3-O 3.34Å; R130-Y133 HydrophobicContact CB-CD2 3.48Å; R130-Y133 VanDerWaalsContact CB-CD2 3.48Å; R130-Y133 HydrophobicContact CB-CE2 3.92Å; R130-Y133 HydrophobicContact CG-CD2 4.35Å; R130-Y133 HydrophobicContact CG-CE2 4.37Å; R130-Y133 PolarHBondContact O-N 2.8Å; Q131-Y133 PolarHBondContact O-N 2.93Å; Y133-M135 PolarHBondContact O-N 2.87Å
134	R	94.9	Very high	94.7	Very high	119 Å²	119	56 Å²	56	45%	0.449	29%	0.288	S	S	.	.			trans	-53.1	134.3	179.1	172.3	-172.6	167.9	163.5	-8.4	109.3	Q131 D136 F151	Q131-R134 WeakPolarHBondContact O-CB 3.29Å; Q131-R134 PolarHBondContact O-N 3.02Å; R134-D136 IonicContact CZ-OD1 3.69Å; R134-D136 VanDerWaalsContact CZ-OD1 3.3Å; R134-D136 IonicContact NE-OD1 3.43Å; R134-D136 PolarHBondContact NE-OD1 3.26Å; R134-D136 IonicContact NH2-OD1 3.41Å; R134-D136 PolarHBondContact NH2-OD1 3.47Å; R134-F151 HydrophobicContact CG-CE1 4.17Å
135	M	95.8	Very high	94.6	Very high	49 Å²	49	64.6 Å²	64.6	24%	0.241	33%	0.333	C	S	.	.			trans	-122.9	138.8	165.5	-66.6	177.7	58.3	0	0	108.4	L103 Q104 W107 W128 Y133	L103-M135 HydrophobicContact CG-SD 4.33Å; Q104-M135 HydrophobicContact CB-CE 4.07Å; Q104-M135 HydrophobicContact CG-CE 3.64Å; Q104-M135 HydrophobicContact CG-SD 4.04Å; W107-M135 HydrophobicContact CB-CE 3.99Å; W107-M135 HydrophobicContact CB-SD 3.72Å; W107-M135 HydrophobicContact CD2-CB 4.14Å; W107-M135 HydrophobicContact CG-CB 3.99Å; W107-M135 HydrophobicContact CG-CE 3.83Å; W107-M135 HydrophobicContact CG-SD 3.83Å; W107-M135 WeakPolarHBondContact CZ2-O 3.23Å; W128-M135 HydrophobicContact CH2-CB 4.36Å; W128-M135 HydrophobicContact CZ2-CB 4.2Å; Y133-M135 PolarHBondContact O-N 2.87Å
136	D	93.7	Very high	94.5	Very high	103 Å²	103	65.1 Å²	65.1	55%	0.551	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-76.3	156.4	172.2	-61.9	-45.5	0	0	0	110.1	W107 R134	W107-D136 PolarHBondContact NE1-O 2.83Å; W107-D136 VanDerWaalsContact NE1-O 3.08Å; R134-D136 IonicContact CZ-OD1 3.69Å; R134-D136 VanDerWaalsContact CZ-OD1 3.3Å; R134-D136 IonicContact NE-OD1 3.43Å; R134-D136 PolarHBondContact NE-OD1 3.26Å; R134-D136 IonicContact NH2-OD1 3.41Å; R134-D136 PolarHBondContact NH2-OD1 3.47Å
137	F	92.5	Very high	94.5	Very high	19 Å²	19	65.3 Å²	65.3	8%	0.083	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-76.2	140.6	172	-72.2	-92.4	0	0	0	109.4	W107 S111 L114 L141 Q142 P143 I149	W107-F137 HydrophobicContact CH2-CD1 4.39Å; W107-F137 HydrophobicContact CH2-CD2 4.04Å; W107-F137 AromaticContact CH2-CE1 3.81Å; W107-F137 HydrophobicContact CH2-CE1 3.81Å; W107-F137 AromaticContact CH2-CE2 3.34Å; W107-F137 HydrophobicContact CH2-CE2 3.34Å; W107-F137 AromaticContact CH2-CZ 3.23Å; W107-F137 HydrophobicContact CH2-CZ 3.23Å; W107-F137 AromaticContact CZ2-CD1 3.9Å; W107-F137 HydrophobicContact CZ2-CD1 3.9Å; W107-F137 AromaticContact CZ2-CD2 3.68Å; W107-F137 HydrophobicContact CZ2-CD2 3.68Å; W107-F137 AromaticContact CZ2-CE1 3.77Å; W107-F137 HydrophobicContact CZ2-CE1 3.77Å; W107-F137 AromaticContact CZ2-CE2 3.49Å; W107-F137 HydrophobicContact CZ2-CE2 3.49Å; W107-F137 VanDerWaalsContact CZ2-CE2 3.49Å; W107-F137 AromaticContact CZ2-CG 3.87Å; W107-F137 HydrophobicContact CZ2-CG 3.87Å; W107-F137 AromaticContact CZ2-CZ 3.56Å; W107-F137 HydrophobicContact CZ2-CZ 3.56Å; W107-F137 HydrophobicContact CZ3-CZ 4.16Å; S111-F137 WeakPolarHBondContact OG-CD1 3.45Å; S111-F137 WeakPolarHBondContact OG-CE1 3.39Å; L114-F137 HydrophobicContact CD1-CE1 4.3Å; L114-F137 HydrophobicContact CD1-CZ 4.15Å; F137-L141 WeakPolarHBondContact CD1-O 3.45Å; F137-Q142 HydrophobicContact CB-CG 4.41Å; F137-P143 HydrophobicContact CE1-CG 4.43Å; F137-P143 HydrophobicContact CE2-CG 4.3Å; F137-P143 HydrophobicContact CZ-CG 4.1Å; F137-I149 HydrophobicContact CE2-CD1 3.38Å; F137-I149 HydrophobicContact CE2-CG1 3.78Å; F137-I149 HydrophobicContact CZ-CD1 3.7Å
138	D	91.1	Very high	94.4	Very high	96 Å²	96	67.3 Å²	67.3	51%	0.513	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-55.4	142.6	162	-63.1	-36.9	0	0	0	108.6	G140 L141 Q142	D138-G140 PolarHBondContact O-N 3.16Å; D138-G140 VanDerWaalsContact O-N 3.08Å; D138-L141 HydrophobicContact CB-CB 4.17Å; D138-L141 HydrophobicContact CB-CD1 4.22Å; D138-L141 HydrophobicContact CB-CG 4.24Å; D138-L141 CarbonylContact O-C 3.58Å; D138-L141 WeakPolarHBondContact O-CA 3.17Å; D138-L141 PolarHBondContact O-N 3.4Å; D138-Q142 PolarHBondContact O-N 3.06Å
139	P	90.3	Very high	94.2	Very high	120 Å²	120	70 Å²	70	78%	0.779	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-52.5	-37.2	-178.1	-29.4	35.3	0	0	0	113.3	L141	P139-L141 VanDerWaalsContact C-N 3.29Å; P139-L141 PolarHBondContact O-N 3.28Å
140	G	90.2	Very high	94.1	Very high	51 Å²	51	69.9 Å²	69.9	53%	0.526	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-78.6	-2.2	176.5	0	0	0	0	0	115.6	R115 D138	R115-G140 PolarHBondContact NH1-O 3.01Å; R115-G140 PolarHBondContact NH2-O 3.12Å; D138-G140 PolarHBondContact O-N 3.16Å; D138-G140 VanDerWaalsContact O-N 3.08Å
141	L	93.2	Very high	94	Very high	27 Å²	27	69.5 Å²	69.5	14%	0.141	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-122.9	12.3	-177.1	-65.4	-179.2	0	0	0	113.8	R115 F137 D138 P139	R115-L141 WeakPolarHBondContact CD-O 3.46Å; F137-L141 WeakPolarHBondContact CD1-O 3.45Å; D138-L141 HydrophobicContact CB-CB 4.17Å; D138-L141 HydrophobicContact CB-CD1 4.22Å; D138-L141 HydrophobicContact CB-CG 4.24Å; D138-L141 CarbonylContact O-C 3.58Å; D138-L141 WeakPolarHBondContact O-CA 3.17Å; D138-L141 PolarHBondContact O-N 3.4Å; P139-L141 VanDerWaalsContact C-N 3.29Å; P139-L141 PolarHBondContact O-N 3.28Å
142	Q	95.1	Very high	94	Very high	93 Å²	93	63.7 Å²	63.7	44%	0.435	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-52.7	135.9	171.7	-65.8	-68.4	-11.2	0	0	111.1	R115 F137 D138	R115-Q142 WeakPolarHBondContact CD-O 3.4Å; R115-Q142 PolarHBondContact NH1-O 3.34Å; F137-Q142 HydrophobicContact CB-CG 4.41Å; D138-Q142 PolarHBondContact O-N 3.06Å
143	P	95.4	Very high	93.9	Very high	16 Å²	16	59.1 Å²	59.1	10%	0.104	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.1	161.2	175.9	33.1	-37.4	0	0	0	110.7	L114 F137 I147 I149	L114-P143 HydrophobicContact CB-CB 4.2Å; L114-P143 HydrophobicContact CD1-CB 4.27Å; F137-P143 HydrophobicContact CE1-CG 4.43Å; F137-P143 HydrophobicContact CE2-CG 4.3Å; F137-P143 HydrophobicContact CZ-CG 4.1Å; P143-I147 HydrophobicContact CB-CB 4.23Å; P143-I147 HydrophobicContact CB-CG2 4.3Å; P143-I149 HydrophobicContact CG-CD1 3.99Å; P143-I149 HydrophobicContact CG-CG1 4.41Å
144	P	96	Very high	93.6	Very high	37 Å²	37	57.7 Å²	57.7	24%	0.24	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-52.1	144.7	167	-25.7	34.5	0	0	0	112.1	L114 H146 I147	L114-P144 VanDerWaalsContact O-CD 3.3Å; L114-P144 WeakPolarHBondContact O-CD 3.36Å; P144-H146 VanDerWaalsContact CB-CE1 3.4Å; P144-H146 WeakPolarHBondContact CB-CE1 3.41Å; P144-H146 WeakPolarHBondContact CB-ND1 3.39Å; P144-H146 PolarHBondContact O-N 3.48Å; P144-H146 VanDerWaalsContact O-N 3.12Å; P144-I147 HydrophobicContact CG-CD1 4.31Å; P144-I147 WeakPolarHBondContact O-CB 3.27Å; P144-I147 PolarHBondContact O-N 3.32Å
145	L	94.3	Very high	93.4	Very high	180 Å²	180	56.7 Å²	56.7	94%	0.942	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.2	-173.5	-65.8	176.8	0	0	0	114.4	I147	L145-I147 PolarHBondContact O-N 2.9Å
146	H	94.8	Very high	93.1	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.134	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5.8	177.6	72	-85.2	0	0	0	114.1	S120 L122 P144 P148 V219 L231	S120-H146 PolarHBondContact O-CE1 3.03Å; S120-H146 PolarHBondContact O-NE2 3.2Å; L122-H146 PolarHBondContact O-NE2 3.28Å; P144-H146 VanDerWaalsContact CB-CE1 3.4Å; P144-H146 WeakPolarHBondContact CB-CE1 3.41Å; P144-H146 WeakPolarHBondContact CB-ND1 3.39Å; P144-H146 PolarHBondContact O-N 3.48Å; P144-H146 VanDerWaalsContact O-N 3.12Å; H146-P148 WeakPolarHBondContact O-CD 3.27Å; H146-V219 HydrophobicContact CB-CG1 3.83Å; H146-V219 VanDerWaalsContact CG-CG1 3.45Å; H146-V219 WeakPolarHBondContact ND1-CG1 3.27Å; H146-L231 HydrophobicContact CB-CD2 4.07Å
147	I	96.4	Very high	92.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	30%	0.303	C	S	.	.	S	Bend	trans	-101.7	90.1	174.5	-58.2	-174.6	0	0	0	107.7	L114 L124 P143 P144 L145	L114-I147 HydrophobicContact CD2-CD1 4.46Å; L114-I147 HydrophobicContact CD2-CG2 4.3Å; L124-I147 HydrophobicContact CB-CD1 4.42Å; L124-I147 HydrophobicContact CB-CG2 4.19Å; L124-I147 WeakPolarHBondContact O-CA 3.44Å; P143-I147 HydrophobicContact CB-CB 4.23Å; P143-I147 HydrophobicContact CB-CG2 4.3Å; P144-I147 HydrophobicContact CG-CD1 4.31Å; P144-I147 WeakPolarHBondContact O-CB 3.27Å; P144-I147 PolarHBondContact O-N 3.32Å; L145-I147 PolarHBondContact O-N 2.9Å
148	P	94.7	Very high	91.7	Very high	63 Å²	63	62.3 Å²	62.3	41%	0.409	34%	0.338	S	S	.	.			trans	-68.7	148.6	-176.5	26.7	-35.7	0	0	0	112.2	L124 T125 A126 H146	L124-P148 WeakPolarHBondContact O-CD 3.4Å; T125-P148 HydrophobicContact CG2-CG 4.09Å; A126-P148 PolarHBondContact N-O 2.84Å; H146-P148 WeakPolarHBondContact O-CD 3.27Å
149	I	94.4	Very high	90.5	Very high	59 Å²	59	62.8 Å²	62.8	30%	0.303	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.8	166.4	-53.1	-51.9	0	0	0	108.2	A126 F137 P143 F151	A126-I149 HydrophobicContact CB-CD1 3.68Å; A126-I149 CarbonylContact O-C 3.32Å; A126-I149 WeakPolarHBondContact O-CA 3.41Å; F137-I149 HydrophobicContact CE2-CD1 3.38Å; F137-I149 HydrophobicContact CE2-CG1 3.78Å; F137-I149 HydrophobicContact CZ-CD1 3.7Å; P143-I149 HydrophobicContact CG-CD1 3.99Å; P143-I149 HydrophobicContact CG-CG1 4.41Å; I149-F151 HydrophobicContact CG2-CE2 4.21Å; I149-F151 HydrophobicContact CG2-CZ 4.05Å
150	A	94.4	Very high	89	Confident	16 Å²	16	64.1 Å²	64.1	13%	0.132	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	161.8	-176.7	0	0	0	0	0	111.7	T125 A126 R127 W128	T125-A150 HydrophobicContact CG2-CB 3.8Å; A126-A150 PolarHBondContact O-N 2.9Å; R127-A150 CarbonylContact C-O 3.6Å; R127-A150 VanDerWaalsContact CA-O 3.27Å; R127-A150 WeakPolarHBondContact CA-O 3.33Å; R127-A150 HydrophobicContact CB-CB 4.24Å; R127-A150 HydrophobicContact CG-CB 4.14Å; W128-A150 PolarHBondContact N-O 3.49Å
151	F	94	Very high	86.9	Confident	81 Å²	81	67.1 Å²	67.1	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.4	179.7	-61	-85.6	0	0	0	110.9	R127 W128 R134 I149	R127-F151 PolarHBondContact NH1-O 3Å; W128-F151 HydrophobicContact CB-CD1 3.76Å; W128-F151 HydrophobicContact CB-CE1 3.96Å; W128-F151 AromaticContact CD1-CE1 3.67Å; W128-F151 HydrophobicContact CG-CD1 4.39Å; W128-F151 HydrophobicContact CG-CE1 4.1Å; W128-F151 CarbonylContact O-C 3.5Å; W128-F151 WeakPolarHBondContact O-CA 3.38Å; R134-F151 HydrophobicContact CG-CE1 4.17Å; I149-F151 HydrophobicContact CG2-CE2 4.21Å; I149-F151 HydrophobicContact CG2-CZ 4.05Å
152	G	92.9	Very high	84.7	Confident	10 Å²	10	72.4 Å²	72.4	10%	0.103	37%	0.372	C	S	.	.	S	Bend	trans	89.9	176.2	177	0	0	0	0	0	113.7	R127 W128 L129	R127-G152 VanDerWaalsContact CD-O 3.3Å; R127-G152 WeakPolarHBondContact CD-O 3.26Å; W128-G152 PolarHBondContact O-N 3.31Å; L129-G152 WeakPolarHBondContact CD2-O 3.42Å
153	S	91.3	Very high	81.8	Confident	35 Å²	35	73.3 Å²	73.3	25%	0.245	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	153.8	-173.6	-60.7	0	0	0	0	112.5	V4	V4-S153 PolarHBondContact N-O 3.27Å; V4-S153 VanDerWaalsContact N-O 3.08Å
154	V	91.1	Very high	79.1	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.03	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	172.4	61.7	0	0	0	0	110.2	V4 V6 F9 P34 I64 L129	V4-V154 CarbonylContact O-C 3.6Å; V4-V154 VanDerWaalsContact O-CA 3.32Å; V4-V154 WeakPolarHBondContact O-CA 3.41Å; V6-V154 HydrophobicContact CB-CG2 4.44Å; V6-V154 HydrophobicContact CG2-CG2 3.86Å; F9-V154 HydrophobicContact CD2-CG2 4.33Å; F9-V154 HydrophobicContact CE2-CG1 4.23Å; F9-V154 HydrophobicContact CE2-CG2 3.67Å; F9-V154 HydrophobicContact CZ-CG1 4.21Å; F9-V154 HydrophobicContact CZ-CG2 4.45Å; P34-V154 HydrophobicContact CG-CG1 4.22Å; I64-V154 HydrophobicContact CG2-CG1 3.93Å; L129-V154 HydrophobicContact CD2-CG1 4.07Å
155	R	90.4	Very high	76.4	Confident	99 Å²	99	79.2 Å²	79.2	37%	0.374	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.9	178.7	-178.1	177.4	-66.8	158.2	2	110.1	V3 V4 E5 V6 E35 K157	V3-R155 HydrophobicContact CG1-CB 4.01Å; V4-R155 PolarHBondContact O-N 3.15Å; E5-R155 CarbonylContact C-O 3.56Å; E5-R155 WeakPolarHBondContact CA-O 3.42Å; E5-R155 IonicContact OE1-NH1 3.88Å; V6-R155 PolarHBondContact N-O 2.97Å; E35-R155 IonicContact OE1-CZ 3Å; E35-R155 IonicContact OE1-NE 2.79Å; E35-R155 PolarHBondContact OE1-NE 3.31Å; E35-R155 IonicContact OE1-NH2 3.34Å; E35-R155 PolarHBondContact OE1-NH2 2.71Å; E35-R155 IonicContact OE2-NE 3.22Å; E35-R155 PolarHBondContact OE2-NE 3.43Å; R155-K157 PolarHBondContact O-N 2.93Å
156	A	89.2	Confident	73.7	Confident	18 Å²	18	73.1 Å²	73.1	15%	0.149	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.3	171.6	0	0	0	0	0	109.5	F9 V32 N33	F9-A156 HydrophobicContact CB-CB 3.58Å; F9-A156 HydrophobicContact CD1-CB 4.37Å; F9-A156 HydrophobicContact CG-CB 3.98Å; V32-A156 WeakPolarHBondContact O-CB 3.4Å; N33-A156 HydrophobicContact CB-CB 4.5Å
157	K	84.6	Confident	71.1	Confident	79 Å²	79	81 Å²	81	34%	0.343	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.2	172	-164.8	177.7	-168.7	160.1	0	109	E5 V6 E7 R155 K159	E5-K157 HydrophobicContact CB-CB 4.5Å; E5-K157 WeakPolarHBondContact OE2-CD 3.37Å; E5-K157 IonicContact OE2-NZ 3.22Å; E5-K157 PolarHBondContact OE2-NZ 3.27Å; V6-K157 PolarHBondContact O-N 3.35Å; E7-K157 HydrophobicContact CG-CB 4.21Å; E7-K157 HydrophobicContact CG-CD 4.33Å; R155-K157 PolarHBondContact O-N 2.93Å; K157-K159 PolarHBondContact O-N 3.16Å
158	K	71.2	Confident	68.5	Low	191 Å²	191	87.1 Å²	87.1	83%	0.83	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-69.5	133.1	168.6	-73.8	-174.1	-179.3	179.9	0	107.2	Q160	K158-Q160 PolarHBondContact O-N 2.85Å
159	K	67	Low	66.2	Low	107 Å²	107	92.1 Å²	92.1	47%	0.465	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-53.4	117.3	169.1	-164.6	171.9	-169.4	172.7	0	107.3	K157 S161 H240	K157-K159 PolarHBondContact O-N 3.16Å; K159-S161 PolarHBondContact O-N 2.9Å; K159-H240 WeakPolarHBondContact CE-O 3.02Å; K159-H240 PolarHBondContact NZ-O 3.37Å
160	Q	57.3	Low	64.2	Low	148 Å²	148	95.3 Å²	95.3	69%	0.692	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62.8	124.4	167	-69.8	-178.6	-1.8	0	0	105	K158 L162	K158-Q160 PolarHBondContact O-N 2.85Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 2.99Å
161	S	47.8	Very low	62.5	Low	114 Å²	114	100.1 Å²	100.1	80%	0.797	55%	0.546	S	S	*	.			trans	-56.3	106.4	165.5	48.8	0	0	0	0	105.2	K159	K159-S161 PolarHBondContact O-N 2.9Å
162	L	45.8	Very low	61.4	Low	138 Å²	138	100.5 Å²	100.5	72%	0.723	55%	0.55	S	S	*	.			trans	-50.8	137.2	154.5	-80.3	103.5	0	0	0	104.9	Q160 S164	Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 2.99Å; L162-S164 PolarHBondContact O-N 3.12Å
163	P	35.5	Very low	61.2	Low	112 Å²	112	100.8 Å²	100.8	73%	0.727	55%	0.551	S	S	*	*			trans	-45.6	136.7	161.6	-4.5	11.1	0	0	0	105.5	A165	P163-A165 PolarHBondContact O-N 3.48Å
164	S	38.8	Very low	61.4	Low	110 Å²	110	102.9 Å²	102.9	77%	0.769	56%	0.561	S	S	*	*			trans	-52.1	103.9	165.6	59.4	0	0	0	0	104.4	L162 G166	L162-S164 PolarHBondContact O-N 3.12Å; S164-G166 WeakPolarHBondContact O-CA 3.11Å; S164-G166 PolarHBondContact O-N 2.93Å
165	A	38.8	Very low	61.7	Low	67 Å²	67	102.6 Å²	102.6	55%	0.554	56%	0.56	S	S	*	*			trans	-54.8	103.9	165.7	0	0	0	0	0	101.6	P163 E167	P163-A165 PolarHBondContact O-N 3.48Å; A165-E167 PolarHBondContact O-N 3.46Å
166	G	36.3	Very low	62	Low	51 Å²	51	101.7 Å²	101.7	53%	0.526	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	117.1	-164.4	0	0	0	0	0	105.3	S164 D168	S164-G166 WeakPolarHBondContact O-CA 3.11Å; S164-G166 PolarHBondContact O-N 2.93Å; G166-D168 PolarHBondContact O-N 3.07Å
167	E	40.4	Very low	62.4	Low	194 Å²	194	103.3 Å²	103.3	91%	0.907	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	32.8	49.7	167.2	-60.6	176.2	176.1	0	0	112.7	A165 E169	A165-E167 PolarHBondContact O-N 3.46Å; E167-E169 PolarHBondContact O-N 3.22Å
168	D	42.6	Very low	63	Low	132 Å²	132	102.5 Å²	102.5	71%	0.706	57%	0.568	S	S	*	*			trans	-65.4	117.1	-179.5	-92.8	-24.7	0	0	0	104.9	G166	G166-D168 PolarHBondContact O-N 3.07Å
169	E	46.3	Very low	64.2	Low	168 Å²	168	100 Å²	100	79%	0.785	56%	0.557	S	S	*	*			trans	-21.8	132.2	-178.6	-65.9	174.7	159.1	0	0	112.5	E167 V171	E167-E169 PolarHBondContact O-N 3.22Å; E169-V171 WeakPolarHBondContact O-CG2 3.41Å; E169-V171 PolarHBondContact O-N 3.03Å
170	D	52.2	Low	65.6	Low	126 Å²	126	97.2 Å²	97.2	67%	0.674	56%	0.555	S	S	*	*			trans	-52.7	76.6	178.4	-140.1	-2.6	0	0	0	110.8	M172	D170-M172 HydrophobicContact CB-CE 4.41Å; D170-M172 PolarHBondContact O-N 3.19Å; D170-M172 WeakPolarHBondContact OD1-CE 3.39Å; D170-M172 WeakPolarHBondContact OD2-CE 3.27Å
171	V	59.8	Low	67.4	Low	118 Å²	118	95.1 Å²	95.1	72%	0.715	55%	0.546	S	S	*	.			trans	-75.4	75.8	174.6	-173.4	0	0	0	0	106.2	E169 S173	E169-V171 WeakPolarHBondContact O-CG2 3.41Å; E169-V171 PolarHBondContact O-N 3.03Å; V171-S173 PolarHBondContact O-N 3.31Å; V171-S173 PolarHBondContact O-OG 2.94Å; V171-S173 VanDerWaalsContact O-OG 3.07Å
172	M	70.9	Confident	69.6	Low	88 Å²	88	90 Å²	90	43%	0.433	51%	0.51	S	S	.	.			trans	-45	98	171.3	-85.5	-67.5	116.2	0	0	109.3	D170 M181	D170-M172 HydrophobicContact CB-CE 4.41Å; D170-M172 PolarHBondContact O-N 3.19Å; D170-M172 WeakPolarHBondContact OD1-CE 3.39Å; D170-M172 WeakPolarHBondContact OD2-CE 3.27Å; M172-M181 HydrophobicContact CB-CE 3.35Å; M172-M181 HydrophobicContact CG-CE 3.5Å; M172-M181 VanDerWaalsContact CG-CE 3.5Å; M172-M181 HydrophobicContact SD-CB 4.39Å; M172-M181 HydrophobicContact SD-CE 3.24Å; M172-M181 WeakPolarHBondContact SD-CE 3.46Å
173	S	88.8	Confident	71.8	Confident	17 Å²	17	89.9 Å²	89.9	12%	0.119	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.2	178.9	-54.7	0	0	0	0	109.1	V171 V182 K187	V171-S173 PolarHBondContact O-N 3.31Å; V171-S173 PolarHBondContact O-OG 2.94Å; V171-S173 VanDerWaalsContact O-OG 3.07Å; S173-V182 WeakPolarHBondContact O-CB 3.11Å; S173-V182 PolarHBondContact O-N 3.12Å; S173-K187 PolarHBondContact OG-NZ 2.89Å
174	V	94.9	Very high	74.3	Confident	78 Å²	78	90.1 Å²	90.1	47%	0.473	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.9	177.8	179.9	0	0	0	0	110	F176 K179 M181	V174-F176 PolarHBondContact O-N 3.43Å; V174-K179 VanDerWaalsContact CG1-O 3.3Å; V174-K179 WeakPolarHBondContact CG1-O 3.39Å; V174-M181 HydrophobicContact CG2-SD 4.07Å
175	C	97.1	Very high	76.6	Confident	0 Å²	0	89 Å²	89	0%	0	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.3	177.9	-178.4	0	0	0	0	110.6	L177 C178 K179 A180 V182 H200	C175-L177 PolarHBondContact O-N 3.48Å; C175-L177 VanDerWaalsContact O-N 3.12Å; C175-C178 WeakPolarHBondContact CB-SG 3.22Å; C175-K179 WeakPolarHBondContact O-CA 3.3Å; C175-K179 PolarHBondContact O-N 3.46Å; C175-A180 WeakPolarHBondContact CB-O 3.48Å; C175-A180 PolarHBondContact N-O 3.43Å; C175-V182 HydrophobicContact CB-CG2 3.52Å; C175-H200 VanDerWaalsContact CB-ND1 3.31Å; C175-H200 WeakPolarHBondContact CB-ND1 3.44Å; C175-H200 PolarHBondContact SG-N 3.37Å; C175-H200 VanDerWaalsContact SG-N 3.44Å; C175-H200 PolarHBondContact SG-ND1 3.26Å
176	F	96.9	Very high	79.1	Confident	80 Å²	80	89.9 Å²	89.9	35%	0.351	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.8	178.4	-170.6	-91.7	0	0	0	113	V174 K179 M197 V198 P224	V174-F176 PolarHBondContact O-N 3.43Å; F176-K179 WeakPolarHBondContact O-CE 3.37Å; F176-K179 PolarHBondContact O-NZ 2.9Å; F176-M197 HydrophobicContact CB-CG 4.28Å; F176-M197 HydrophobicContact CG-CG 4.42Å; F176-V198 WeakPolarHBondContact CB-O 3.4Å; F176-V198 PolarHBondContact N-O 2.99Å; F176-P224 HydrophobicContact CD1-CB 3.95Å; F176-P224 HydrophobicContact CD1-CG 3.93Å; F176-P224 HydrophobicContact CE1-CB 3.93Å; F176-P224 HydrophobicContact CE1-CG 4.34Å; F176-P224 VanDerWaalsContact CE1-O 3.27Å; F176-P224 WeakPolarHBondContact CE1-O 3.32Å
177	L	97.4	Very high	81.9	Confident	51 Å²	51	90.7 Å²	90.7	27%	0.267	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-53.1	-172.8	-66.7	170.1	0	0	0	113.5	C175 C203 L204 Y207 P224	C175-L177 PolarHBondContact O-N 3.48Å; C175-L177 VanDerWaalsContact O-N 3.12Å; L177-C203 HydrophobicContact CB-CB 4.09Å; L177-C203 VanDerWaalsContact CD1-C 3.45Å; L177-C203 HydrophobicContact CD1-CB 3.79Å; L177-C203 WeakPolarHBondContact CD1-O 3.34Å; L177-L204 HydrophobicContact CD1-CB 4.47Å; L177-L204 HydrophobicContact CD1-CD1 4.36Å; L177-Y207 HydrophobicContact CD1-CG 4.37Å; L177-Y207 HydrophobicContact CD2-CD2 3.82Å; L177-Y207 HydrophobicContact CD2-CE2 4.38Å; L177-Y207 HydrophobicContact CD2-CG 4.23Å; L177-P224 HydrophobicContact CD2-CB 3.99Å; L177-P224 HydrophobicContact CD2-CG 4.08Å; L177-P224 HydrophobicContact CG-CG 4.45Å
178	C	97.4	Very high	84.5	Confident	62 Å²	62	81.5 Å²	81.5	42%	0.419	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.1	-177	69.2	0	0	0	0	113.8	C175 A180 H200	C175-C178 WeakPolarHBondContact CB-SG 3.22Å; C178-A180 PolarHBondContact O-N 3.16Å; C178-A180 VanDerWaalsContact O-N 3.07Å; C178-H200 PolarHBondContact SG-CE1 3.46Å; C178-H200 PolarHBondContact SG-ND1 3.1Å; C178-H200 VanDerWaalsContact SG-ND1 3.37Å
179	K	96.1	Very high	87	Confident	139 Å²	139	77 Å²	77	60%	0.604	41%	0.412	S	S	*	.			trans	61.2	10.9	-178.7	-46.6	-55	-173	-174.4	0	115.2	V174 C175 F176	V174-K179 VanDerWaalsContact CG1-O 3.3Å; V174-K179 WeakPolarHBondContact CG1-O 3.39Å; C175-K179 WeakPolarHBondContact O-CA 3.3Å; C175-K179 PolarHBondContact O-N 3.46Å; F176-K179 WeakPolarHBondContact O-CE 3.37Å; F176-K179 PolarHBondContact O-NZ 2.9Å
180	A	96.1	Very high	89.2	Confident	49 Å²	49	69.3 Å²	69.3	41%	0.405	38%	0.377	S	S	.	.	S	Bend	trans	-91.6	162.9	174	0	0	0	0	0	112.2	C175 C178	C175-A180 WeakPolarHBondContact CB-O 3.48Å; C175-A180 PolarHBondContact N-O 3.43Å; C178-A180 PolarHBondContact O-N 3.16Å; C178-A180 VanDerWaalsContact O-N 3.07Å
181	M	95.3	Very high	91.1	Very high	104 Å²	104	64.9 Å²	64.9	51%	0.512	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.1	179.3	-52	-59.9	-84.6	0	0	111.7	M172 V174 H200	M172-M181 HydrophobicContact CB-CE 3.35Å; M172-M181 HydrophobicContact CG-CE 3.5Å; M172-M181 VanDerWaalsContact CG-CE 3.5Å; M172-M181 HydrophobicContact SD-CB 4.39Å; M172-M181 HydrophobicContact SD-CE 3.24Å; M172-M181 WeakPolarHBondContact SD-CE 3.46Å; V174-M181 HydrophobicContact CG2-SD 4.07Å; M181-H200 PolarHBondContact O-CE1 2.9Å; M181-H200 PolarHBondContact O-NE2 2.88Å
182	V	94.4	Very high	92.4	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.5	-177.8	-174.9	0	0	0	0	110.1	S173 C175 K187	S173-V182 WeakPolarHBondContact O-CB 3.11Å; S173-V182 PolarHBondContact O-N 3.12Å; C175-V182 HydrophobicContact CB-CG2 3.52Å; V182-K187 HydrophobicContact CG1-CB 3.81Å; V182-K187 HydrophobicContact CG1-CG 4.26Å
183	K	91.8	Very high	93.1	Very high	135 Å²	135	64.2 Å²	64.2	59%	0.587	35%	0.353	S	S	*	.			trans	-67.9	146.8	170.3	-64.3	179.8	180	177.8	0	110.3	S185 E186 K187	K183-S185 PolarHBondContact O-N 3.17Å; K183-E186 CarbonylContact O-C 3.57Å; K183-E186 WeakPolarHBondContact O-CA 3.3Å; K183-E186 PolarHBondContact O-N 3.12Å; K183-K187 PolarHBondContact O-N 2.89Å
184	V	87.8	Confident	93.1	Very high	118 Å²	118	69.1 Å²	69.1	72%	0.715	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-52.2	-43	177.9	178.7	0	0	0	0	112	E186 K187	V184-E186 PolarHBondContact O-N 3.36Å; V184-K187 WeakPolarHBondContact O-CB 3.35Å; V184-K187 PolarHBondContact O-N 2.93Å
185	S	88.1	Confident	93	Very high	87 Å²	87	66.1 Å²	66.1	61%	0.608	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-61.9	-26	177.9	57.6	0	0	0	0	113.9	K183 K239	K183-S185 PolarHBondContact O-N 3.17Å; S185-K239 WeakPolarHBondContact O-CE 3.25Å; S185-K239 PolarHBondContact O-NZ 3.27Å
186	E	90.9	Very high	92.8	Very high	85 Å²	85	69.6 Å²	69.6	40%	0.397	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-105	-3.2	-177.4	-66	175.2	-176.7	0	0	113	K183 V184 H200 V201	K183-E186 CarbonylContact O-C 3.57Å; K183-E186 WeakPolarHBondContact O-CA 3.3Å; K183-E186 PolarHBondContact O-N 3.12Å; V184-E186 PolarHBondContact O-N 3.36Å; E186-H200 CarbonylContact O-C 3.59Å; E186-H200 WeakPolarHBondContact O-CA 3.49Å; E186-H200 IonicContact OE2-CD2 2.75Å; E186-H200 PolarHBondContact OE2-CD2 2.96Å; E186-V201 WeakPolarHBondContact O-CG2 3.31Å; E186-V201 PolarHBondContact O-N 3.08Å
187	K	93.9	Very high	92.7	Very high	68 Å²	68	66 Å²	66	30%	0.296	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.6	-177.8	-171.1	173.7	173.9	166.4	0	112.5	S173 V182 K183 V184 V198 K239	S173-K187 PolarHBondContact OG-NZ 2.89Å; V182-K187 HydrophobicContact CG1-CB 3.81Å; V182-K187 HydrophobicContact CG1-CG 4.26Å; K183-K187 PolarHBondContact O-N 2.89Å; V184-K187 WeakPolarHBondContact O-CB 3.35Å; V184-K187 PolarHBondContact O-N 2.93Å; K187-V198 HydrophobicContact CD-CG1 4.23Å; K187-V198 HydrophobicContact CG-CG1 3.76Å; K187-K239 PolarHBondContact O-NZ 3.48Å
188	L	95.3	Very high	92.7	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	159.3	-75.3	-178.2	0	0	0	109.5	V198 S199 V201 L204 W232 I236 K239	L188-V198 WeakPolarHBondContact O-CA 3.2Å; L188-S199 PolarHBondContact N-O 2.84Å; L188-S199 PolarHBondContact O-N 3.42Å; L188-V201 HydrophobicContact CD1-CB 4.19Å; L188-V201 HydrophobicContact CD1-CG1 4.3Å; L188-V201 HydrophobicContact CD1-CG2 3.95Å; L188-V201 HydrophobicContact CD2-CG2 4.2Å; L188-V201 HydrophobicContact CG-CB 4.35Å; L188-V201 HydrophobicContact CG-CG2 3.63Å; L188-L204 HydrophobicContact CB-CD2 4.45Å; L188-L204 HydrophobicContact CD1-CD2 4.04Å; L188-W232 HydrophobicContact CD1-CH2 3.67Å; L188-W232 HydrophobicContact CD1-CZ2 4.48Å; L188-W232 HydrophobicContact CD1-CZ3 3.86Å; L188-I236 HydrophobicContact CD1-CD1 4.41Å; L188-I236 HydrophobicContact CD2-CD1 4.18Å; L188-K239 HydrophobicContact CD2-CB 3.73Å; L188-K239 HydrophobicContact CD2-CD 3.78Å; L188-K239 HydrophobicContact CD2-CG 4Å
189	S	94.6	Very high	92.7	Very high	36 Å²	36	61.9 Å²	61.9	25%	0.252	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.7	172.3	46.6	0	0	0	0	110.7	M197 L235 H238	S189-M197 VanDerWaalsContact CA-O 3.28Å; S189-M197 WeakPolarHBondContact CA-O 3.32Å; S189-L235 WeakPolarHBondContact O-CD2 3.24Å; S189-H238 PolarHBondContact O-ND1 3.36Å; S189-H238 PolarHBondContact OG-CE1 3.35Å; S189-H238 PolarHBondContact OG-ND1 2.82Å
190	C	94.3	Very high	92.7	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.054	34%	0.342	C	S	.	.			trans	-61.4	139.4	167.7	-167	0	0	0	0	108.9	C195 M197	C190-C195 HydrophobicContact CB-CB 3.83Å; C190-C195 VanDerWaalsContact CB-SG 3.56Å; C190-M197 HydrophobicContact CB-CB 4.12Å; C190-M197 HydrophobicContact CB-CE 3.84Å; C190-M197 PolarHBondContact N-O 3.31Å; C190-M197 VanDerWaalsContact N-O 3.09Å
191	F	90.3	Very high	92.8	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.145	33%	0.333	C	S	.	.			trans	-90.8	-3.1	176.4	58.6	-107.9	0	0	0	112.8	V230 L235 H238 L243	F191-V230 HydrophobicContact CE1-CB 3.88Å; F191-V230 HydrophobicContact CE1-CG1 3.84Å; F191-V230 HydrophobicContact CE2-CG1 4.2Å; F191-V230 HydrophobicContact CZ-CB 3.83Å; F191-V230 HydrophobicContact CZ-CG1 3.55Å; F191-L235 HydrophobicContact CD1-CD2 3.8Å; F191-L235 HydrophobicContact CD1-CG 4.25Å; F191-L235 HydrophobicContact CE1-CD2 4.04Å; F191-L235 HydrophobicContact CE1-CG 4.11Å; F191-H238 HydrophobicContact CB-CB 4.22Å; F191-L243 HydrophobicContact CB-CD1 4.03Å; F191-L243 HydrophobicContact CB-CD2 4.3Å; F191-L243 HydrophobicContact CG-CD1 4.35Å
192	L	89	Confident	92.8	Very high	54 Å²	54	55.2 Å²	55.2	28%	0.283	34%	0.335	S	S	.	.	S	Bend	trans	-73.9	125.5	177	-65.4	176	0	0	0	109.1	S194 C195 V230	L192-S194 PolarHBondContact O-N 3.37Å; L192-C195 HydrophobicContact CB-CB 4.22Å; L192-C195 WeakPolarHBondContact O-CB 3.27Å; L192-C195 PolarHBondContact O-N 3.07Å; L192-V230 HydrophobicContact CD1-CG1 4.47Å
193	P	85.5	Confident	93	Very high	137 Å²	137	56.5 Å²	56.5	89%	0.89	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.4	-167.4	-30	34.9	0	0	0	115.8
194	S	88.5	Confident	93.3	Very high	120 Å²	120	50 Å²	50	84%	0.839	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.7	-179.3	54.7	0	0	0	0	114.1	L192	L192-S194 PolarHBondContact O-N 3.37Å
195	C	93	Very high	93.7	Very high	15 Å²	15	45 Å²	45	10%	0.101	29%	0.287	C	S	.	.			trans	-108.8	116.5	-174	-172.5	0	0	0	0	112.6	C190 L192 M197 C226	C190-C195 HydrophobicContact CB-CB 3.83Å; C190-C195 VanDerWaalsContact CB-SG 3.56Å; L192-C195 HydrophobicContact CB-CB 4.22Å; L192-C195 WeakPolarHBondContact O-CB 3.27Å; L192-C195 PolarHBondContact O-N 3.07Å; C195-M197 VanDerWaalsContact C-N 3.31Å; C195-M197 PolarHBondContact O-N 3.44Å; C195-M197 VanDerWaalsContact SG-CB 3.51Å; C195-C226 HydrophobicContact CB-CB 3.94Å
196	G	91.8	Very high	94.2	Very high	73 Å²	73	47.9 Å²	47.9	75%	0.753	29%	0.288	S	S	*	.			trans	-86.5	16.2	174.5	0	0	0	0	0	115.2	V198	G196-V198 PolarHBondContact O-N 3.41Å
197	M	95.8	Very high	94.5	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.025	28%	0.279	C	S	.	.			trans	-65	125.3	-175.1	-175.1	-80.6	-57.3	0	0	111.3	F176 S189 C190 C195 L204 P224	F176-M197 HydrophobicContact CB-CG 4.28Å; F176-M197 HydrophobicContact CG-CG 4.42Å; S189-M197 VanDerWaalsContact CA-O 3.28Å; S189-M197 WeakPolarHBondContact CA-O 3.32Å; C190-M197 HydrophobicContact CB-CB 4.12Å; C190-M197 HydrophobicContact CB-CE 3.84Å; C190-M197 PolarHBondContact N-O 3.31Å; C190-M197 VanDerWaalsContact N-O 3.09Å; C195-M197 VanDerWaalsContact C-N 3.31Å; C195-M197 PolarHBondContact O-N 3.44Å; C195-M197 VanDerWaalsContact SG-CB 3.51Å; M197-L204 HydrophobicContact CE-CD2 4.11Å; M197-P224 HydrophobicContact CG-CG 4.08Å; M197-P224 HydrophobicContact SD-CG 4.4Å
198	V	96.6	Very high	94.6	Very high	27 Å²	27	44 Å²	44	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.5	170.8	178	0	0	0	0	109.8	F176 K187 L188 G196	F176-V198 WeakPolarHBondContact CB-O 3.4Å; F176-V198 PolarHBondContact N-O 2.99Å; K187-V198 HydrophobicContact CD-CG1 4.23Å; K187-V198 HydrophobicContact CG-CG1 3.76Å; L188-V198 WeakPolarHBondContact O-CA 3.2Å; G196-V198 PolarHBondContact O-N 3.41Å
199	S	97.4	Very high	94.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.1	176.3	57.3	0	0	0	0	112.4	L188 L204	L188-S199 PolarHBondContact N-O 2.84Å; L188-S199 PolarHBondContact O-N 3.42Å; S199-L204 WeakPolarHBondContact OG-CB 3.49Å
200	H	97.4	Very high	94.8	Very high	23 Å²	23	51.5 Å²	51.5	11%	0.106	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.2	162	-57.1	97	0	0	0	109.9	C175 C178 M181 E186 V202 C203 L204	C175-H200 VanDerWaalsContact CB-ND1 3.31Å; C175-H200 WeakPolarHBondContact CB-ND1 3.44Å; C175-H200 PolarHBondContact SG-N 3.37Å; C175-H200 VanDerWaalsContact SG-N 3.44Å; C175-H200 PolarHBondContact SG-ND1 3.26Å; C178-H200 PolarHBondContact SG-CE1 3.46Å; C178-H200 PolarHBondContact SG-ND1 3.1Å; C178-H200 VanDerWaalsContact SG-ND1 3.37Å; M181-H200 PolarHBondContact O-CE1 2.9Å; M181-H200 PolarHBondContact O-NE2 2.88Å; E186-H200 CarbonylContact O-C 3.59Å; E186-H200 WeakPolarHBondContact O-CA 3.49Å; E186-H200 IonicContact OE2-CD2 2.75Å; E186-H200 PolarHBondContact OE2-CD2 2.96Å; H200-V202 PolarHBondContact O-N 2.85Å; H200-C203 HydrophobicContact CB-CB 4.09Å; H200-C203 PolarHBondContact O-N 3.43Å; H200-C203 VanDerWaalsContact O-N 3.12Å; H200-L204 PolarHBondContact O-N 2.86Å
201	V	96.3	Very high	94.7	Very high	38 Å²	38	56.2 Å²	56.2	23%	0.23	33%	0.326	C	S	.	.	H	α-helix	trans	-47.5	-49.1	172.3	174.9	0	0	0	0	111	E186 L188 L204 A205 W232	E186-V201 WeakPolarHBondContact O-CG2 3.31Å; E186-V201 PolarHBondContact O-N 3.08Å; L188-V201 HydrophobicContact CD1-CB 4.19Å; L188-V201 HydrophobicContact CD1-CG1 4.3Å; L188-V201 HydrophobicContact CD1-CG2 3.95Å; L188-V201 HydrophobicContact CD2-CG2 4.2Å; L188-V201 HydrophobicContact CG-CB 4.35Å; L188-V201 HydrophobicContact CG-CG2 3.63Å; V201-L204 PolarHBondContact O-N 2.72Å; V201-A205 WeakPolarHBondContact O-CB 3.45Å; V201-A205 PolarHBondContact O-N 3.26Å; V201-W232 HydrophobicContact CG1-CH2 3.92Å; V201-W232 HydrophobicContact CG1-CZ2 3.95Å
202	V	96.7	Very high	94.9	Very high	91 Å²	91	58 Å²	58	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-68.7	-38.2	-175.9	179.3	0	0	0	0	112.1	H200 A205 K206	H200-V202 PolarHBondContact O-N 2.85Å; V202-A205 PolarHBondContact O-N 3.39Å; V202-K206 HydrophobicContact CG1-CD 4.2Å; V202-K206 HydrophobicContact CG1-CG 4.46Å; V202-K206 WeakPolarHBondContact O-CB 3.47Å; V202-K206 WeakPolarHBondContact O-CG 3.3Å; V202-K206 PolarHBondContact O-N 3.08Å
203	C	97.7	Very high	94.9	Very high	32 Å²	32	60.8 Å²	60.8	22%	0.216	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-46.7	177.8	-70.5	0	0	0	0	110.8	L177 H200 K206 Y207	L177-C203 HydrophobicContact CB-CB 4.09Å; L177-C203 VanDerWaalsContact CD1-C 3.45Å; L177-C203 HydrophobicContact CD1-CB 3.79Å; L177-C203 WeakPolarHBondContact CD1-O 3.34Å; H200-C203 HydrophobicContact CB-CB 4.09Å; H200-C203 PolarHBondContact O-N 3.43Å; H200-C203 VanDerWaalsContact O-N 3.12Å; C203-K206 PolarHBondContact O-N 3.06Å; C203-Y207 WeakPolarHBondContact O-CB 3.32Å; C203-Y207 PolarHBondContact O-N 2.83Å
204	L	97.6	Very high	95.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-39.5	179	-168.3	62	0	0	0	111.9	L177 L188 M197 S199 H200 V201 K206 Y207 F208 P224 W232 L235	L177-L204 HydrophobicContact CD1-CB 4.47Å; L177-L204 HydrophobicContact CD1-CD1 4.36Å; L188-L204 HydrophobicContact CB-CD2 4.45Å; L188-L204 HydrophobicContact CD1-CD2 4.04Å; M197-L204 HydrophobicContact CE-CD2 4.11Å; S199-L204 WeakPolarHBondContact OG-CB 3.49Å; H200-L204 PolarHBondContact O-N 2.86Å; V201-L204 PolarHBondContact O-N 2.72Å; L204-K206 PolarHBondContact O-N 3.21Å; L204-Y207 HydrophobicContact CD1-CD1 4.41Å; L204-Y207 WeakPolarHBondContact O-CB 3.36Å; L204-Y207 PolarHBondContact O-N 3.46Å; L204-Y207 VanDerWaalsContact O-N 3.16Å; L204-F208 HydrophobicContact CD1-CD1 4.28Å; L204-F208 HydrophobicContact CD1-CE1 3.64Å; L204-F208 HydrophobicContact CD1-CZ 3.89Å; L204-F208 HydrophobicContact CD2-CZ 4.28Å; L204-F208 HydrophobicContact CG-CE1 4.13Å; L204-F208 HydrophobicContact CG-CE2 4.35Å; L204-F208 HydrophobicContact CG-CZ 4.01Å; L204-F208 PolarHBondContact O-N 3.48Å; L204-P224 HydrophobicContact CD1-CG 4.23Å; L204-W232 HydrophobicContact CB-CZ3 4.31Å; L204-W232 HydrophobicContact CD2-CZ3 4.27Å; L204-W232 HydrophobicContact CG-CZ3 4.21Å; L204-L235 HydrophobicContact CD2-CD1 3.82Å
205	A	97.5	Very high	95.5	Very high	13 Å²	13	57 Å²	57	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-49.4	175.2	0	0	0	0	0	111.6	V201 V202 Y207 F208 L209 P218 W232	V201-A205 WeakPolarHBondContact O-CB 3.45Å; V201-A205 PolarHBondContact O-N 3.26Å; V202-A205 PolarHBondContact O-N 3.39Å; A205-Y207 VanDerWaalsContact C-N 3.25Å; A205-Y207 PolarHBondContact O-N 3Å; A205-F208 PolarHBondContact O-N 2.75Å; A205-L209 WeakPolarHBondContact O-CB 3.42Å; A205-L209 WeakPolarHBondContact O-CD1 3.39Å; A205-L209 VanDerWaalsContact O-CG 3.27Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.19Å; A205-P218 HydrophobicContact CB-CG 3.79Å; A205-W232 HydrophobicContact CB-CH2 3.67Å; A205-W232 HydrophobicContact CB-CZ2 4.13Å; A205-W232 HydrophobicContact CB-CZ3 4.19Å
206	K	97.4	Very high	95.4	Very high	147 Å²	147	63.9 Å²	63.9	64%	0.639	36%	0.359	S	S	*	.	H	α-helix	trans	-59.9	-36.8	175.4	-74.1	178.5	178.5	-177.7	0	112.1	V202 C203 L204 L209 R210	V202-K206 HydrophobicContact CG1-CD 4.2Å; V202-K206 HydrophobicContact CG1-CG 4.46Å; V202-K206 WeakPolarHBondContact O-CB 3.47Å; V202-K206 WeakPolarHBondContact O-CG 3.3Å; V202-K206 PolarHBondContact O-N 3.08Å; C203-K206 PolarHBondContact O-N 3.06Å; L204-K206 PolarHBondContact O-N 3.21Å; K206-L209 PolarHBondContact O-N 3.17Å; K206-R210 PolarHBondContact O-N 2.93Å
207	Y	97.4	Very high	95.6	Very high	54 Å²	54	64 Å²	64	21%	0.212	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-45.4	176.7	179.5	-92.8	0	0	0	111.8	L177 C203 L204 A205 L209 R210 Q222 P224	L177-Y207 HydrophobicContact CD1-CG 4.37Å; L177-Y207 HydrophobicContact CD2-CD2 3.82Å; L177-Y207 HydrophobicContact CD2-CE2 4.38Å; L177-Y207 HydrophobicContact CD2-CG 4.23Å; C203-Y207 WeakPolarHBondContact O-CB 3.32Å; C203-Y207 PolarHBondContact O-N 2.83Å; L204-Y207 HydrophobicContact CD1-CD1 4.41Å; L204-Y207 WeakPolarHBondContact O-CB 3.36Å; L204-Y207 PolarHBondContact O-N 3.46Å; L204-Y207 VanDerWaalsContact O-N 3.16Å; A205-Y207 VanDerWaalsContact C-N 3.25Å; A205-Y207 PolarHBondContact O-N 3Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.33Å; Y207-R210 VanDerWaalsContact CE2-CZ 3.5Å; Y207-R210 VanDerWaalsContact CE2-NH1 3.29Å; Y207-R210 WeakPolarHBondContact O-CD 3.49Å; Y207-R210 VanDerWaalsContact O-CG 3.25Å; Y207-R210 WeakPolarHBondContact O-CG 3.32Å; Y207-Q222 WeakPolarHBondContact CE1-O 3.35Å; Y207-P224 HydrophobicContact CE1-CB 4.1Å; Y207-P224 HydrophobicContact CE2-CB 4.28Å
208	F	97.4	Very high	95.6	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	34%	0.342	C	S	.	.	H	α-helix	trans	-69.2	-30.3	176.6	-70.9	-0.9	0	0	0	113.1	L204 A205 R210 P218 Q222 V230 W232 L235	L204-F208 HydrophobicContact CD1-CD1 4.28Å; L204-F208 HydrophobicContact CD1-CE1 3.64Å; L204-F208 HydrophobicContact CD1-CZ 3.89Å; L204-F208 HydrophobicContact CD2-CZ 4.28Å; L204-F208 HydrophobicContact CG-CE1 4.13Å; L204-F208 HydrophobicContact CG-CE2 4.35Å; L204-F208 HydrophobicContact CG-CZ 4.01Å; L204-F208 PolarHBondContact O-N 3.48Å; A205-F208 PolarHBondContact O-N 2.75Å; F208-R210 VanDerWaalsContact C-N 3.3Å; F208-R210 PolarHBondContact O-N 2.91Å; F208-P218 HydrophobicContact CB-CB 3.73Å; F208-P218 HydrophobicContact CB-CG 4.11Å; F208-P218 HydrophobicContact CD2-CB 3.95Å; F208-P218 HydrophobicContact CD2-CG 4.5Å; F208-P218 HydrophobicContact CG-CB 4.36Å; F208-Q222 VanDerWaalsContact CE1-O 3.27Å; F208-Q222 WeakPolarHBondContact CE1-O 3.36Å; F208-V230 HydrophobicContact CE2-CG2 3.89Å; F208-V230 HydrophobicContact CZ-CG2 3.56Å; F208-W232 AromaticContact CD2-CE3 3.94Å; F208-W232 HydrophobicContact CD2-CE3 3.94Å; F208-W232 HydrophobicContact CD2-CZ3 4.47Å; F208-W232 HydrophobicContact CE2-CE3 4.12Å; F208-L235 HydrophobicContact CE2-CD1 3.8Å; F208-L235 HydrophobicContact CZ-CD1 4.15Å
209	L	97.2	Very high	95.6	Very high	17 Å²	17	63.6 Å²	63.6	9%	0.089	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-87.1	9.6	-178	-69	164	0	0	0	114	A205 K206 Y207 S211 E212 H215 P218	A205-L209 WeakPolarHBondContact O-CB 3.42Å; A205-L209 WeakPolarHBondContact O-CD1 3.39Å; A205-L209 VanDerWaalsContact O-CG 3.27Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.19Å; K206-L209 PolarHBondContact O-N 3.17Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.33Å; L209-S211 PolarHBondContact O-N 3.47Å; L209-E212 HydrophobicContact CD2-CB 4.42Å; L209-E212 CarbonylContact O-C 3.55Å; L209-E212 PolarHBondContact O-N 2.86Å; L209-H215 WeakPolarHBondContact CD1-O 3.35Å; L209-H215 HydrophobicContact CD2-CB 3.75Å; L209-P218 HydrophobicContact CD1-CG 3.93Å; L209-P218 HydrophobicContact CG-CB 4.31Å; L209-P218 HydrophobicContact CG-CG 3.93Å
210	R	95.7	Very high	95.5	Very high	179 Å²	179	69.6 Å²	69.6	68%	0.675	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-56.4	-36.9	-178.4	-77	173.6	176.8	-170.5	-2.8	113.4	K206 Y207 F208	K206-R210 PolarHBondContact O-N 2.93Å; Y207-R210 VanDerWaalsContact CE2-CZ 3.5Å; Y207-R210 VanDerWaalsContact CE2-NH1 3.29Å; Y207-R210 WeakPolarHBondContact O-CD 3.49Å; Y207-R210 VanDerWaalsContact O-CG 3.25Å; Y207-R210 WeakPolarHBondContact O-CG 3.32Å; F208-R210 VanDerWaalsContact C-N 3.3Å; F208-R210 PolarHBondContact O-N 2.91Å
211	S	92.8	Very high	95.4	Very high	106 Å²	106	69.4 Å²	69.4	74%	0.741	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-86.3	-10.3	176.8	51	0	0	0	0	113.8	L209	L209-S211 PolarHBondContact O-N 3.47Å
212	E	93.7	Very high	95.4	Very high	71 Å²	71	72.7 Å²	72.7	33%	0.332	39%	0.385	S	S	.	.			trans	-135.5	58	-176.3	-60.7	-174	109.9	0	0	111.6	R121 L209 S214 H215	R121-E212 IonicContact CZ-OE2 3.57Å; R121-E212 IonicContact NH1-OE1 2.81Å; R121-E212 PolarHBondContact NH1-OE1 2.9Å; R121-E212 IonicContact NH1-OE2 3.06Å; R121-E212 PolarHBondContact NH1-OE2 2.85Å; R121-E212 IonicContact NH2-OE2 3.37Å; R121-E212 PolarHBondContact NH2-OE2 3.19Å; L209-E212 HydrophobicContact CD2-CB 4.42Å; L209-E212 CarbonylContact O-C 3.55Å; L209-E212 PolarHBondContact O-N 2.86Å; E212-S214 PolarHBondContact O-N 2.76Å; E212-H215 HydrophobicContact CB-CB 4.48Å; E212-H215 PolarHBondContact O-N 3.21Å; E212-H215 IonicContact OE1-CD2 3.48Å; E212-H215 PolarHBondContact OE1-CD2 3.49Å; E212-H215 IonicContact OE1-NE2 3.88Å
213	P	90.3	Very high	95.5	Very high	112 Å²	112	68.4 Å²	68.4	73%	0.727	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.8	-168.8	27.9	-36.9	0	0	0	114.3	H215	P213-H215 VanDerWaalsContact C-N 3.26Å
214	S	92.3	Very high	95.4	Very high	103 Å²	103	67.5 Å²	67.5	72%	0.72	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11	175.1	60.8	0	0	0	0	113.2	E212	E212-S214 PolarHBondContact O-N 2.76Å
215	H	93.7	Very high	95.4	Very high	75 Å²	75	69.9 Å²	69.9	35%	0.347	37%	0.369	S	S	.	.			trans	-96.7	148.6	178.2	-69.4	-35.7	0	0	0	111.8	R121 L209 E212 P213	R121-H215 PolarHBondContact NH1-CD2 3.18Å; L209-H215 WeakPolarHBondContact CD1-O 3.35Å; L209-H215 HydrophobicContact CD2-CB 3.75Å; E212-H215 HydrophobicContact CB-CB 4.48Å; E212-H215 PolarHBondContact O-N 3.21Å; E212-H215 IonicContact OE1-CD2 3.48Å; E212-H215 PolarHBondContact OE1-CD2 3.49Å; E212-H215 IonicContact OE1-NE2 3.88Å; P213-H215 VanDerWaalsContact C-N 3.26Å
216	L	91.4	Very high	95.3	Very high	159 Å²	159	71.5 Å²	71.5	83%	0.832	38%	0.379	S	S	*	.	S	Bend	trans	-101.7	-25	179.6	-63.6	177.2	0	0	0	113.2
217	L	94.3	Very high	95.2	Very high	76 Å²	76	70.1 Å²	70.1	40%	0.398	38%	0.375	S	S	.	.	S	Bend	trans	-114.8	118.4	-177.1	-65.4	178.2	0	0	0	108.9	R121 L122	R121-L217 VanDerWaalsContact CZ-O 3.26Å; R121-L217 PolarHBondContact NE-O 2.84Å; R121-L217 PolarHBondContact NH2-O 2.9Å; L122-L217 HydrophobicContact CD2-CD1 4.19Å
218	P	96.5	Very high	95.1	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.013	37%	0.374	C	S	.	.			trans	-64.5	150.1	168.6	-11.9	25.2	0	0	0	110.6	A205 F208 L209 W232	A205-P218 HydrophobicContact CB-CG 3.79Å; F208-P218 HydrophobicContact CB-CB 3.73Å; F208-P218 HydrophobicContact CB-CG 4.11Å; F208-P218 HydrophobicContact CD2-CB 3.95Å; F208-P218 HydrophobicContact CD2-CG 4.5Å; F208-P218 HydrophobicContact CG-CB 4.36Å; L209-P218 HydrophobicContact CD1-CG 3.93Å; L209-P218 HydrophobicContact CG-CB 4.31Å; L209-P218 HydrophobicContact CG-CG 3.93Å; P218-W232 HydrophobicContact CB-CB 4.1Å; P218-W232 HydrophobicContact CB-CD2 3.97Å; P218-W232 HydrophobicContact CB-CE3 4.03Å; P218-W232 HydrophobicContact CB-CG 4Å; P218-W232 HydrophobicContact CG-CD2 3.74Å; P218-W232 HydrophobicContact CG-CE3 3.74Å; P218-W232 HydrophobicContact CG-CG 4.21Å; P218-W232 HydrophobicContact CG-CH2 4.4Å; P218-W232 HydrophobicContact CG-CZ2 4.39Å; P218-W232 HydrophobicContact CG-CZ3 4.08Å; P218-W232 WeakPolarHBondContact O-CB 3.33Å; P218-W232 VanDerWaalsContact O-CD1 3.3Å; P218-W232 VanDerWaalsContact O-CG 3.31Å
219	V	96.1	Very high	95	Very high	22 Å²	22	72.3 Å²	72.3	13%	0.133	40%	0.403	C	S	.	.			trans	-97.4	-47.9	169.1	165.9	0	0	0	0	109.5	R121 H146 W232	R121-V219 HydrophobicContact CB-CG2 3.83Å; R121-V219 HydrophobicContact CG-CG2 3.79Å; H146-V219 HydrophobicContact CB-CG1 3.83Å; H146-V219 VanDerWaalsContact CG-CG1 3.45Å; H146-V219 WeakPolarHBondContact ND1-CG1 3.27Å; V219-W232 WeakPolarHBondContact O-CB 3.35Å; V219-W232 PolarHBondContact O-N 2.88Å
220	E	95.6	Very high	94.9	Very high	126 Å²	126	71.8 Å²	71.8	59%	0.589	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151	170.7	-178	65.3	-173	-168.4	0	0	110.5	V230 L231	E220-V230 CarbonylContact C-O 3.57Å; E220-V230 VanDerWaalsContact CA-O 3.26Å; E220-V230 WeakPolarHBondContact CA-O 3.16Å; E220-L231 HydrophobicContact CB-CD2 3.88Å
221	G	95.7	Very high	94.9	Very high	18 Å²	18	66.3 Å²	66.3	19%	0.186	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	174.5	171.7	0	0	0	0	0	112	V230	G221-V230 PolarHBondContact N-O 3.37Å; G221-V230 WeakPolarHBondContact O-CG2 3.44Å; G221-V230 PolarHBondContact O-N 3.22Å
222	Q	97	Very high	95	Very high	107 Å²	107	62.4 Å²	62.4	50%	0.5	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.8	176.1	-70.8	-178.6	-18.5	0	0	110.5	Y207 F208	Y207-Q222 WeakPolarHBondContact CE1-O 3.35Å; F208-Q222 VanDerWaalsContact CE1-O 3.27Å; F208-Q222 WeakPolarHBondContact CE1-O 3.36Å
223	C	97.3	Very high	94.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	34%	0.342	C	S	.	.			trans	-57.6	129.3	175.2	178.2	0	0	0	0	110.5	S225 C226 H227 G228	C223-S225 PolarHBondContact O-N 3.34Å; C223-C226 WeakPolarHBondContact CB-SG 3.32Å; C223-H227 WeakPolarHBondContact O-CA 3.3Å; C223-H227 PolarHBondContact O-N 2.97Å; C223-G228 PolarHBondContact N-O 3Å
224	P	97	Very high	95	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.091	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.8	-176.6	28.8	-36.9	0	0	0	114.2	F176 L177 M197 L204 Y207	F176-P224 HydrophobicContact CD1-CB 3.95Å; F176-P224 HydrophobicContact CD1-CG 3.93Å; F176-P224 HydrophobicContact CE1-CB 3.93Å; F176-P224 HydrophobicContact CE1-CG 4.34Å; F176-P224 VanDerWaalsContact CE1-O 3.27Å; F176-P224 WeakPolarHBondContact CE1-O 3.32Å; L177-P224 HydrophobicContact CD2-CB 3.99Å; L177-P224 HydrophobicContact CD2-CG 4.08Å; L177-P224 HydrophobicContact CG-CG 4.45Å; M197-P224 HydrophobicContact CG-CG 4.08Å; M197-P224 HydrophobicContact SD-CG 4.4Å; L204-P224 HydrophobicContact CD1-CG 4.23Å; Y207-P224 HydrophobicContact CE1-CB 4.1Å; Y207-P224 HydrophobicContact CE2-CB 4.28Å
225	S	96.8	Very high	95	Very high	50 Å²	50	49.9 Å²	49.9	35%	0.35	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-51.8	179.5	174.7	0	0	0	0	112.9	C223	C223-S225 PolarHBondContact O-N 3.34Å
226	C	96.2	Very high	94.9	Very high	46 Å²	46	48.6 Å²	48.6	31%	0.311	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.8	-177.7	67.9	0	0	0	0	113.9	C195 C223 G228	C195-C226 HydrophobicContact CB-CB 3.94Å; C223-C226 WeakPolarHBondContact CB-SG 3.32Å; C226-G228 PolarHBondContact O-N 2.79Å
227	H	95.6	Very high	94.8	Very high	118 Å²	118	43.3 Å²	43.3	55%	0.546	24%	0.242	S	C	.	.			trans	59.8	2.5	-177	-55.9	-73.4	0	0	0	116	C223	C223-H227 WeakPolarHBondContact O-CA 3.3Å; C223-H227 PolarHBondContact O-N 2.97Å
228	G	94.9	Very high	94.5	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	23%	0.234	C	C	.	.			trans	-62.8	137.1	174.3	0	0	0	0	0	112.1	C223 C226	C223-G228 PolarHBondContact N-O 3Å; C226-G228 PolarHBondContact O-N 2.79Å
229	S	94.9	Very high	94.1	Very high	97 Å²	97	45 Å²	45	68%	0.678	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.4	173.9	-61.8	0	0	0	0	110.6
230	V	94.7	Very high	93.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.7	-178.7	-65	0	0	0	0	111	F191 L192 F208 E220 G221 L235	F191-V230 HydrophobicContact CE1-CB 3.88Å; F191-V230 HydrophobicContact CE1-CG1 3.84Å; F191-V230 HydrophobicContact CE2-CG1 4.2Å; F191-V230 HydrophobicContact CZ-CB 3.83Å; F191-V230 HydrophobicContact CZ-CG1 3.55Å; L192-V230 HydrophobicContact CD1-CG1 4.47Å; F208-V230 HydrophobicContact CE2-CG2 3.89Å; F208-V230 HydrophobicContact CZ-CG2 3.56Å; E220-V230 CarbonylContact C-O 3.57Å; E220-V230 VanDerWaalsContact CA-O 3.26Å; E220-V230 WeakPolarHBondContact CA-O 3.16Å; G221-V230 PolarHBondContact N-O 3.37Å; G221-V230 WeakPolarHBondContact O-CG2 3.44Å; G221-V230 PolarHBondContact O-N 3.22Å; V230-L235 HydrophobicContact CB-CD1 4.46Å; V230-L235 HydrophobicContact CB-CG 4.47Å; V230-L235 HydrophobicContact CG2-CD1 3.81Å; V230-L235 HydrophobicContact CG2-CG 4.32Å
231	L	95.3	Very high	92.7	Very high	63 Å²	63	45.1 Å²	45.1	33%	0.33	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.7	169.3	-64.2	179.8	0	0	0	109.9	H146 E220 G233 S234 L235	H146-L231 HydrophobicContact CB-CD2 4.07Å; E220-L231 HydrophobicContact CB-CD2 3.88Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 3.35Å; L231-S234 PolarHBondContact O-N 3.32Å; L231-S234 VanDerWaalsContact O-N 3.12Å; L231-L235 PolarHBondContact O-N 3.38Å; L231-L235 VanDerWaalsContact O-N 3.17Å
232	W	95.6	Very high	91.4	Very high	25 Å²	25	44.6 Å²	44.6	10%	0.095	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-42.4	176.5	-178.3	-107.5	0	0	0	111.6	L188 V201 L204 A205 F208 P218 V219 S234 L235 I236	L188-W232 HydrophobicContact CD1-CH2 3.67Å; L188-W232 HydrophobicContact CD1-CZ2 4.48Å; L188-W232 HydrophobicContact CD1-CZ3 3.86Å; V201-W232 HydrophobicContact CG1-CH2 3.92Å; V201-W232 HydrophobicContact CG1-CZ2 3.95Å; L204-W232 HydrophobicContact CB-CZ3 4.31Å; L204-W232 HydrophobicContact CD2-CZ3 4.27Å; L204-W232 HydrophobicContact CG-CZ3 4.21Å; A205-W232 HydrophobicContact CB-CH2 3.67Å; A205-W232 HydrophobicContact CB-CZ2 4.13Å; A205-W232 HydrophobicContact CB-CZ3 4.19Å; F208-W232 AromaticContact CD2-CE3 3.94Å; F208-W232 HydrophobicContact CD2-CE3 3.94Å; F208-W232 HydrophobicContact CD2-CZ3 4.47Å; F208-W232 HydrophobicContact CE2-CE3 4.12Å; P218-W232 HydrophobicContact CB-CB 4.1Å; P218-W232 HydrophobicContact CB-CD2 3.97Å; P218-W232 HydrophobicContact CB-CE3 4.03Å; P218-W232 HydrophobicContact CB-CG 4Å; P218-W232 HydrophobicContact CG-CD2 3.74Å; P218-W232 HydrophobicContact CG-CE3 3.74Å; P218-W232 HydrophobicContact CG-CG 4.21Å; P218-W232 HydrophobicContact CG-CH2 4.4Å; P218-W232 HydrophobicContact CG-CZ2 4.39Å; P218-W232 HydrophobicContact CG-CZ3 4.08Å; P218-W232 WeakPolarHBondContact O-CB 3.33Å; P218-W232 VanDerWaalsContact O-CD1 3.3Å; P218-W232 VanDerWaalsContact O-CG 3.31Å; V219-W232 WeakPolarHBondContact O-CB 3.35Å; V219-W232 PolarHBondContact O-N 2.88Å; W232-S234 VanDerWaalsContact C-N 3.28Å; W232-S234 PolarHBondContact O-N 2.91Å; W232-L235 HydrophobicContact CE3-CD1 4.24Å; W232-L235 PolarHBondContact O-N 3.07Å; W232-I236 HydrophobicContact CD2-CG1 4.49Å; W232-I236 HydrophobicContact CZ2-CD1 3.85Å; W232-I236 HydrophobicContact CZ2-CG1 4.4Å; W232-I236 WeakPolarHBondContact O-CG1 3.4Å; W232-I236 PolarHBondContact O-N 2.96Å
233	G	92.8	Very high	89.9	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-54.2	-43.1	175.1	0	0	0	0	0	113.5	L231 I236 R237	L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 3.35Å; G233-I236 PolarHBondContact O-N 3.3Å; G233-R237 WeakPolarHBondContact O-CG 3.28Å; G233-R237 PolarHBondContact O-N 3.08Å
234	S	90.9	Very high	87.8	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-38.8	179.5	-56.3	0	0	0	0	112	L231 W232 R237 H238	L231-S234 PolarHBondContact O-N 3.32Å; L231-S234 VanDerWaalsContact O-N 3.12Å; W232-S234 VanDerWaalsContact C-N 3.28Å; W232-S234 PolarHBondContact O-N 2.91Å; S234-R237 PolarHBondContact O-N 3.07Å; S234-H238 VanDerWaalsContact O-CB 3.3Å; S234-H238 WeakPolarHBondContact O-CB 3.48Å; S234-H238 PolarHBondContact O-N 3.24Å
235	L	93.5	Very high	85.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-42.4	173.6	-71	169.1	0	0	0	112.2	S189 F191 L204 F208 V230 L231 W232 H238 K239	S189-L235 WeakPolarHBondContact O-CD2 3.24Å; F191-L235 HydrophobicContact CD1-CD2 3.8Å; F191-L235 HydrophobicContact CD1-CG 4.25Å; F191-L235 HydrophobicContact CE1-CD2 4.04Å; F191-L235 HydrophobicContact CE1-CG 4.11Å; L204-L235 HydrophobicContact CD2-CD1 3.82Å; F208-L235 HydrophobicContact CE2-CD1 3.8Å; F208-L235 HydrophobicContact CZ-CD1 4.15Å; V230-L235 HydrophobicContact CB-CD1 4.46Å; V230-L235 HydrophobicContact CB-CG 4.47Å; V230-L235 HydrophobicContact CG2-CD1 3.81Å; V230-L235 HydrophobicContact CG2-CG 4.32Å; L231-L235 PolarHBondContact O-N 3.38Å; L231-L235 VanDerWaalsContact O-N 3.17Å; W232-L235 HydrophobicContact CE3-CD1 4.24Å; W232-L235 PolarHBondContact O-N 3.07Å; L235-H238 WeakPolarHBondContact O-CB 3.45Å; L235-H238 PolarHBondContact O-N 2.68Å; L235-K239 PolarHBondContact O-N 3.04Å
236	I	92	Very high	83.5	Confident	49 Å²	49	43.7 Å²	43.7	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-43.1	177	-62	-55.8	0	0	0	110.8	L188 W232 G233 H238 K239 H240	L188-I236 HydrophobicContact CD1-CD1 4.41Å; L188-I236 HydrophobicContact CD2-CD1 4.18Å; W232-I236 HydrophobicContact CD2-CG1 4.49Å; W232-I236 HydrophobicContact CZ2-CD1 3.85Å; W232-I236 HydrophobicContact CZ2-CG1 4.4Å; W232-I236 WeakPolarHBondContact O-CG1 3.4Å; W232-I236 PolarHBondContact O-N 2.96Å; G233-I236 PolarHBondContact O-N 3.3Å; I236-H238 VanDerWaalsContact C-N 3.35Å; I236-H238 PolarHBondContact O-N 2.89Å; I236-K239 WeakPolarHBondContact O-CB 3.42Å; I236-K239 PolarHBondContact O-N 2.85Å; I236-H240 PolarHBondContact O-CD2 2.95Å; I236-H240 PolarHBondContact O-N 3.09Å
237	R	87.5	Confident	81	Confident	48 Å²	48	48.3 Å²	48.3	18%	0.181	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-43.9	174.6	-71.8	175.8	-162.6	-111.6	5.3	111.7	P123 G233 S234 K239 H240 G241 C242 D245	P123-R237 PolarHBondContact O-NH2 2.79Å; G233-R237 WeakPolarHBondContact O-CG 3.28Å; G233-R237 PolarHBondContact O-N 3.08Å; S234-R237 PolarHBondContact O-N 3.07Å; R237-K239 PolarHBondContact O-N 2.95Å; R237-H240 CarbonylContact O-C 3.47Å; R237-H240 PolarHBondContact O-N 3.19Å; R237-G241 PolarHBondContact O-N 3.47Å; R237-C242 HydrophobicContact CB-CB 4.33Å; R237-C242 PolarHBondContact O-N 3.43Å; R237-D245 IonicContact NH1-OD2 3.06Å
238	H	88.1	Confident	78.6	Confident	50 Å²	50	47.8 Å²	47.8	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-48.4	175.5	-177.5	-126.2	0	0	0	111.9	S189 F191 S234 L235 I236 H240 G241 L243	S189-H238 PolarHBondContact O-ND1 3.36Å; S189-H238 PolarHBondContact OG-CE1 3.35Å; S189-H238 PolarHBondContact OG-ND1 2.82Å; F191-H238 HydrophobicContact CB-CB 4.22Å; S234-H238 VanDerWaalsContact O-CB 3.3Å; S234-H238 WeakPolarHBondContact O-CB 3.48Å; S234-H238 PolarHBondContact O-N 3.24Å; L235-H238 WeakPolarHBondContact O-CB 3.45Å; L235-H238 PolarHBondContact O-N 2.68Å; I236-H238 VanDerWaalsContact C-N 3.35Å; I236-H238 PolarHBondContact O-N 2.89Å; H238-H240 PolarHBondContact O-N 3.3Å; H238-G241 PolarHBondContact O-N 3.07Å; H238-L243 HydrophobicContact CB-CD1 3.87Å
239	K	88.3	Confident	76.1	Confident	64 Å²	64	50.6 Å²	50.6	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-54.3	-35.9	175	-175.6	-161.9	175.8	86.3	0	112.6	S185 K187 L188 L235 I236 R237 G241	S185-K239 WeakPolarHBondContact O-CE 3.25Å; S185-K239 PolarHBondContact O-NZ 3.27Å; K187-K239 PolarHBondContact O-NZ 3.48Å; L188-K239 HydrophobicContact CD2-CB 3.73Å; L188-K239 HydrophobicContact CD2-CD 3.78Å; L188-K239 HydrophobicContact CD2-CG 4Å; L235-K239 PolarHBondContact O-N 3.04Å; I236-K239 WeakPolarHBondContact O-CB 3.42Å; I236-K239 PolarHBondContact O-N 2.85Å; R237-K239 PolarHBondContact O-N 2.95Å; K239-G241 VanDerWaalsContact C-N 3.32Å
240	H	84.5	Confident	73.5	Confident	97 Å²	97	50.2 Å²	50.2	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.8	179.4	-69.5	-59.3	0	0	0	114.2	K159 I236 R237 H238	K159-H240 WeakPolarHBondContact CE-O 3.02Å; K159-H240 PolarHBondContact NZ-O 3.37Å; I236-H240 PolarHBondContact O-CD2 2.95Å; I236-H240 PolarHBondContact O-N 3.09Å; R237-H240 CarbonylContact O-C 3.47Å; R237-H240 PolarHBondContact O-N 3.19Å; H238-H240 PolarHBondContact O-N 3.3Å
241	G	77.6	Confident	70.6	Confident	52 Å²	52	53.8 Å²	53.8	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	10.5	-177.1	0	0	0	0	0	114.3	R237 H238 K239 L243	R237-G241 PolarHBondContact O-N 3.47Å; H238-G241 PolarHBondContact O-N 3.07Å; K239-G241 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.39Å
242	C	70	Confident	67.7	Low	8 Å²	8	54.1 Å²	54.1	5%	0.054	31%	0.309	C	S	.	.			trans	-97.1	40	-172	-54.8	0	0	0	0	112.7	E7 R237	E7-C242 HydrophobicContact CB-CB 4.11Å; E7-C242 PolarHBondContact OE2-SG 3Å; R237-C242 HydrophobicContact CB-CB 4.33Å; R237-C242 PolarHBondContact O-N 3.43Å
243	L	63.8	Low	64.7	Low	46 Å²	46	57.6 Å²	57.6	24%	0.241	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-81.3	-16	-174.6	-158.9	77.2	0	0	0	113.6	F191 H238 G241 D245 L246	F191-L243 HydrophobicContact CB-CD1 4.03Å; F191-L243 HydrophobicContact CB-CD2 4.3Å; F191-L243 HydrophobicContact CG-CD1 4.35Å; H238-L243 HydrophobicContact CB-CD1 3.87Å; G241-L243 PolarHBondContact O-N 3.39Å; L243-D245 PolarHBondContact O-N 3.45Å; L243-L246 HydrophobicContact CD1-CD1 3.52Å; L243-L246 HydrophobicContact CG-CD1 4.32Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 2.92Å
244	G	54.4	Low	61.7	Low	54 Å²	54	61.8 Å²	61.8	56%	0.557	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.9	-22.4	-178.4	0	0	0	0	0	114.5	L246	G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 3.38Å
245	D	52.3	Low	59.1	Low	28 Å²	28	69.5 Å²	69.5	15%	0.15	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-73	-14.4	177.1	-54.2	-1.8	0	0	0	113.6	R237 L243	R237-D245 IonicContact NH1-OD2 3.06Å; L243-D245 PolarHBondContact O-N 3.45Å
246	L	50.5	Low	56.2	Low	24 Å²	24	72.4 Å²	72.4	13%	0.126	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-20.7	-174.1	-86.9	141.7	0	0	0	114.1	L243 G244 E248 V249 I250	L243-L246 HydrophobicContact CD1-CD1 3.52Å; L243-L246 HydrophobicContact CG-CD1 4.32Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 2.92Å; G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 3.38Å; L246-E248 VanDerWaalsContact C-N 3.28Å; L246-E248 PolarHBondContact O-N 2.88Å; L246-V249 PolarHBondContact O-N 3.22Å; L246-V249 VanDerWaalsContact O-N 3.07Å; L246-I250 HydrophobicContact CB-CD1 4.31Å; L246-I250 WeakPolarHBondContact O-CG1 3.31Å; L246-I250 PolarHBondContact O-N 3.23Å
247	E	44.8	Very low	53.5	Low	144 Å²	144	77.1 Å²	77.1	67%	0.673	44%	0.437	S	S	*	.	H	α-helix	trans	-64.1	-32.5	-179.1	-73.4	178.4	165.8	0	0	112.1	S251	E247-S251 VanDerWaalsContact O-CB 3.31Å; E247-S251 WeakPolarHBondContact O-CB 3.35Å; E247-S251 PolarHBondContact O-N 3.03Å
248	E	44.8	Very low	51.1	Low	106 Å²	106	84.8 Å²	84.8	50%	0.495	47%	0.466	S	S	.	.	H	α-helix	trans	-69.3	-33.1	172.4	-72.9	-173.4	165.2	0	0	112.8	L246 S252	L246-E248 VanDerWaalsContact C-N 3.28Å; L246-E248 PolarHBondContact O-N 2.88Å; E248-S252 PolarHBondContact O-N 3.27Å
249	V	41.3	Very low	48.4	Very low	79 Å²	79	86.1 Å²	86.1	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-77.7	-43.2	179.5	-177.3	0	0	0	0	110.6	L246 S251 S252 T253	L246-V249 PolarHBondContact O-N 3.22Å; L246-V249 VanDerWaalsContact O-N 3.07Å; V249-S251 VanDerWaalsContact C-N 3.33Å; V249-S251 PolarHBondContact O-N 2.86Å; V249-S252 PolarHBondContact O-N 3.04Å; V249-S252 PolarHBondContact O-OG 3.05Å; V249-T253 PolarHBondContact O-N 3.41Å; V249-T253 PolarHBondContact O-OG1 2.72Å
250	I	41.4	Very low	46	Very low	89 Å²	89	89 Å²	89	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-41.7	179	-65.8	166.8	0	0	0	110.7	L246 S252 T253 S254	L246-I250 HydrophobicContact CB-CD1 4.31Å; L246-I250 WeakPolarHBondContact O-CG1 3.31Å; L246-I250 PolarHBondContact O-N 3.23Å; I250-S252 PolarHBondContact O-N 3.18Å; I250-T253 WeakPolarHBondContact CA-OG1 3.5Å; I250-T253 PolarHBondContact O-N 3.07Å; I250-T253 PolarHBondContact O-OG1 2.6Å; I250-T253 VanDerWaalsContact O-OG1 3.08Å; I250-S254 PolarHBondContact O-N 2.98Å
251	S	34.2	Very low	43.6	Very low	82 Å²	82	92.1 Å²	92.1	57%	0.573	52%	0.519	S	S	*	.	H	α-helix	trans	-61	-27.7	174.2	-172.5	0	0	0	0	113.3	E247 V249 S254	E247-S251 VanDerWaalsContact O-CB 3.31Å; E247-S251 WeakPolarHBondContact O-CB 3.35Å; E247-S251 PolarHBondContact O-N 3.03Å; V249-S251 VanDerWaalsContact C-N 3.33Å; V249-S251 PolarHBondContact O-N 2.86Å; S251-S254 PolarHBondContact O-OG 2.73Å
252	S	33	Very low	41.9	Very low	70 Å²	70	98 Å²	98	49%	0.49	54%	0.537	S	S	.	.	H	α-helix	trans	-84.3	-30.3	176.1	72.9	0	0	0	0	113.7	E248 V249 I250 Q255	E248-S252 PolarHBondContact O-N 3.27Å; V249-S252 PolarHBondContact O-N 3.04Å; V249-S252 PolarHBondContact O-OG 3.05Å; I250-S252 PolarHBondContact O-N 3.18Å; S252-Q255 PolarHBondContact O-N 2.91Å
253	T	32.4	Very low	40.5	Very low	97 Å²	97	106.2 Å²	106.2	60%	0.595	58%	0.575	S	S	*	*	H	α-helix	trans	-76.3	-20	177.3	22.3	0	0	0	0	114.2	V249 I250 Q255	V249-T253 PolarHBondContact O-N 3.41Å; V249-T253 PolarHBondContact O-OG1 2.72Å; I250-T253 WeakPolarHBondContact CA-OG1 3.5Å; I250-T253 PolarHBondContact O-N 3.07Å; I250-T253 PolarHBondContact O-OG1 2.6Å; I250-T253 VanDerWaalsContact O-OG1 3.08Å; T253-Q255 PolarHBondContact O-N 3.01Å
254	S	30.6	Very low	38.9	Very low	98 Å²	98	117 Å²	117	69%	0.685	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-6.6	171.5	56.2	0	0	0	0	113.4	I250 S251	I250-S254 PolarHBondContact O-N 2.98Å; S251-S254 PolarHBondContact O-OG 2.73Å
255	Q	36.6	Very low	38.1	Very low	173 Å²	173	120.1 Å²	120.1	81%	0.808	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	14.6	-177.1	-83.8	-168.7	-8.4	0	0	116.1	S252 T253	S252-Q255 PolarHBondContact O-N 2.91Å; T253-Q255 PolarHBondContact O-N 3.01Å
256	S	32.5	Very low	37.4	Very low	63 Å²	63	124.9 Å²	124.9	44%	0.441	66%	0.656	S	S	.	*			trans	-155.6	94.8	165.6	55.1	0	0	0	0	115.8	W258	S256-W258 PolarHBondContact O-N 2.67Å
257	H	34.1	Very low	36.7	Very low	147 Å²	147	130.6 Å²	130.6	68%	0.681	69%	0.686	S	S	*	*			trans	-85	79.8	158.3	-161.2	-99.4	0	0	0	108	A259 D260	H257-A259 PolarHBondContact O-N 3.22Å; H257-D260 IonicContact CE1-OD2 3.3Å; H257-D260 PolarHBondContact CE1-OD2 2.77Å; H257-D260 IonicContact CG-OD2 3.96Å; H257-D260 IonicContact ND1-OD2 2.97Å; H257-D260 PolarHBondContact ND1-OD2 3.01Å
258	W	37.4	Very low	36.2	Very low	209 Å²	209	129.8 Å²	129.8	79%	0.792	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	19.1	178.3	-73.9	108.2	0	0	0	114.1	S256	S256-W258 PolarHBondContact O-N 2.67Å
259	A	32.6	Very low	35.6	Very low	78 Å²	78	131.3 Å²	131.3	65%	0.645	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-1.1	-177.8	0	0	0	0	0	114.5	H257	H257-A259 PolarHBondContact O-N 3.22Å
260	D	37.4	Very low	35.3	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	71%	0.713	S	S	*	*	S	Bend	trans	-112.8	5.7	-175.6	-63.6	-44.1	0	0	0	115.6	H257	H257-D260 IonicContact CE1-OD2 3.3Å; H257-D260 PolarHBondContact CE1-OD2 2.77Å; H257-D260 IonicContact CG-OD2 3.96Å; H257-D260 IonicContact ND1-OD2 2.97Å; H257-D260 PolarHBondContact ND1-OD2 3.01Å
261	E	34.6	Very low	34.8	Very low	163 Å²	163	138 Å²	138	76%	0.762	73%	0.731	S	S	*	*			trans	-110.2	38.9	179.9	-83	-171.9	163.4	0	0	114.2
262	L	40.3	Very low	34.9	Very low	175 Å²	175	142.3 Å²	142.3	92%	0.916	74%	0.743	S	S	*	*			trans	-124	29.2	167	-76	174.4	0	0	0	113.6
263	Q	40.5	Very low	35	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	76%	0.764	S	S	*	*			trans	-125.5	85.3	160.5	-75	-173.7	-11.2	0	0	109.8
264	M	31.2	Very low	35.3	Very low	271 Å²	271	153 Å²	153	100%	1.335	78%	0.78	S	S	*	*			trans	-174.3	0	137.4	-99.8	175.8	-179.5	0	0	110.3

Retrieved 264 of 264 residues in 2043.4 ms (Link to these results)

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