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Ferredoxin--NADP reductase

AlphaFold DB (Q2FVP8), UniProt , Accession Q99RQ5, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.1	Very high	97.7	Very high	116 Å²	116	21 Å²	21	57%	0.571	11%	0.112	S	C	*	.				0	132.5	0	-178.8	177.1	-86.1	0	0	108.6	H93 T105 K107	M1-H93 HydrophobicContact CE-CB 4.31Å; M1-H93 WeakPolarHBondContact CE-CD2 3.4Å; M1-H93 WeakPolarHBondContact CE-NE2 3.48Å; M1-T105 WeakPolarHBondContact CA-O 3.06Å; M1-T105 WeakPolarHBondContact CA-OG1 3.02Å; M1-K107 HydrophobicContact CG-CG 4.4Å; M1-K107 HydrophobicContact SD-CG 3.93Å
2	K	98.1	Very high	97.7	Very high	47 Å²	47	19.7 Å²	19.7	20%	0.204	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	164.1	173.7	-70.9	-74.5	-173.9	170.6	0	111	R28 E76 T105 S106 K107	K2-R28 HydrophobicContact CG-CB 4.09Å; K2-E76 WeakPolarHBondContact CE-OE2 3.45Å; K2-E76 IonicContact NZ-OE2 3.84Å; K2-E76 PolarHBondContact NZ-OE2 3.41Å; K2-E76 VanDerWaalsContact NZ-OE2 3.16Å; K2-T105 PolarHBondContact N-O 3.11Å; K2-S106 CarbonylContact O-C 3.38Å; K2-S106 WeakPolarHBondContact O-CA 3.5Å; K2-K107 PolarHBondContact O-N 3.3Å
3	D	98.8	Very high	97.8	Very high	28 Å²	28	18.2 Å²	18.2	15%	0.15	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-50.1	170.5	-65.1	-53.2	0	0	0	109.6	M25 S26 K107 A108 I314	D3-M25 HydrophobicContact CB-CB 3.89Å; D3-M25 HydrophobicContact CB-CG 4.34Å; D3-S26 VanDerWaalsContact CG-OG 3.32Å; D3-S26 PolarHBondContact N-O 2.87Å; D3-S26 VanDerWaalsContact N-O 3.13Å; D3-S26 PolarHBondContact N-OG 2.87Å; D3-S26 WeakPolarHBondContact OD2-CB 3.24Å; D3-S26 PolarHBondContact OD2-N 2.91Å; D3-S26 PolarHBondContact OD2-OG 3Å; D3-K107 CarbonylContact O-C 3.48Å; D3-K107 WeakPolarHBondContact O-CA 3.38Å; D3-K107 WeakPolarHBondContact O-CB 3.19Å; D3-K107 PolarHBondContact O-N 3.49Å; D3-K107 VanDerWaalsContact O-N 3.1Å; D3-K107 WeakPolarHBondContact OD1-CE 3.35Å; D3-K107 IonicContact OD1-NZ 3.16Å; D3-K107 PolarHBondContact OD1-NZ 2.81Å; D3-A108 PolarHBondContact O-N 2.7Å; D3-I314 HydrophobicContact CB-CD1 3.92Å; D3-I314 WeakPolarHBondContact O-CD1 3.34Å
4	V	98.9	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	-179.4	65.9	0	0	0	0	112.4	I6 A20 S26 V27 R28 A108 I110	V4-I6 HydrophobicContact CG2-CG1 4.25Å; V4-A20 HydrophobicContact CG1-CB 3.9Å; V4-S26 PolarHBondContact N-O 3.24Å; V4-S26 VanDerWaalsContact N-O 3.15Å; V4-V27 HydrophobicContact CG1-CB 4.41Å; V4-V27 HydrophobicContact CG1-CG1 4.44Å; V4-V27 HydrophobicContact CG1-CG2 3.9Å; V4-R28 PolarHBondContact O-N 3.07Å; V4-A108 WeakPolarHBondContact CA-O 3.21Å; V4-A108 HydrophobicContact CG2-CB 4.41Å; V4-I110 HydrophobicContact CG2-CD1 3.78Å; V4-I110 HydrophobicContact CG2-CG1 3.76Å
5	T	98.9	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.8	165.5	-58.6	0	0	0	0	108.8	I7 R28 I30 V96 S106 A108 V109 I110	T5-I7 HydrophobicContact CG2-CG1 4.42Å; T5-R28 CarbonylContact C-O 3.57Å; T5-R28 WeakPolarHBondContact CA-O 3.39Å; T5-R28 HydrophobicContact CG2-CB 4.47Å; T5-R28 HydrophobicContact CG2-CG 4.36Å; T5-I30 HydrophobicContact CG2-CD1 3.73Å; T5-I30 HydrophobicContact CG2-CG1 4.15Å; T5-V96 HydrophobicContact CG2-CB 4.48Å; T5-V96 HydrophobicContact CG2-CG1 4.46Å; T5-V96 HydrophobicContact CG2-CG2 4.1Å; T5-S106 WeakPolarHBondContact CB-OG 3.38Å; T5-S106 WeakPolarHBondContact OG1-CB 3.39Å; T5-S106 PolarHBondContact OG1-OG 2.88Å; T5-A108 PolarHBondContact N-O 3.42Å; T5-A108 VanDerWaalsContact N-O 3.1Å; T5-V109 CarbonylContact O-C 3.55Å; T5-V109 VanDerWaalsContact O-CA 3.32Å; T5-V109 WeakPolarHBondContact O-CA 3.24Å; T5-I110 PolarHBondContact O-N 2.84Å
6	I	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.1	177.8	-54.2	176.3	0	0	0	107.7	V4 A16 S17 V27 R28 L29 I30 I110 A112	V4-I6 HydrophobicContact CG2-CG1 4.25Å; I6-A16 HydrophobicContact CD1-CB 3.92Å; I6-S17 VanDerWaalsContact CD1-CA 3.42Å; I6-S17 VanDerWaalsContact CD1-N 3.28Å; I6-V27 HydrophobicContact CD1-CG1 3.77Å; I6-V27 HydrophobicContact CG1-CG1 4.29Å; I6-R28 PolarHBondContact N-O 3.21Å; I6-L29 HydrophobicContact CB-CD1 3.8Å; I6-L29 HydrophobicContact CG2-CD1 3.67Å; I6-L29 WeakPolarHBondContact O-CA 3.41Å; I6-I30 PolarHBondContact O-N 2.87Å; I6-I110 CarbonylContact C-O 3.51Å; I6-I110 WeakPolarHBondContact CA-O 3.45Å; I6-I110 HydrophobicContact CG1-CB 4.21Å; I6-I110 HydrophobicContact CG1-CD1 4.36Å; I6-I110 HydrophobicContact CG2-CB 4.46Å; I6-A112 HydrophobicContact CG2-CB 4.18Å
7	I	98	Very high	98	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.036	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.7	-176.7	-51.6	166.5	0	0	0	108.3	T5 V83 I86 V96 V109 I110 A112 I113 L251	T5-I7 HydrophobicContact CG2-CG1 4.42Å; I7-V83 HydrophobicContact CD1-CG1 4.05Å; I7-V83 HydrophobicContact CD1-CG2 4.48Å; I7-V83 HydrophobicContact CG1-CG2 4.25Å; I7-V83 HydrophobicContact CG2-CB 3.93Å; I7-V83 HydrophobicContact CG2-CG1 4.47Å; I7-V83 HydrophobicContact CG2-CG2 3.76Å; I7-I86 HydrophobicContact CD1-CD1 3.52Å; I7-I86 HydrophobicContact CD1-CG1 3.91Å; I7-V96 HydrophobicContact CD1-CG1 4.19Å; I7-V109 HydrophobicContact CD1-CG1 3.68Å; I7-V109 HydrophobicContact CG1-CG1 4.32Å; I7-I110 PolarHBondContact N-O 2.75Å; I7-A112 CarbonylContact O-C 3.23Å; I7-A112 VanDerWaalsContact O-CA 3.24Å; I7-A112 WeakPolarHBondContact O-CA 3.26Å; I7-A112 WeakPolarHBondContact O-CB 3.34Å; I7-A112 PolarHBondContact O-N 2.57Å; I7-I113 HydrophobicContact CB-CG2 4.24Å; I7-I113 HydrophobicContact CG2-CG2 3.64Å; I7-I113 VanDerWaalsContact O-CG2 3.28Å; I7-I113 WeakPolarHBondContact O-CG2 3.39Å; I7-I113 PolarHBondContact O-N 3.2Å; I7-L251 HydrophobicContact CG2-CD2 4.27Å
8	G	96.9	Very high	98.1	Very high	7 Å²	7	17.2 Å²	17.2	7%	0.072	9%	0.087	C	C	.	.			trans	107	120.9	-174.2	0	0	0	0	0	112.1	G13 I30	G8-G13 WeakPolarHBondContact O-CA 3.33Å; G8-I30 PolarHBondContact N-O 3.11Å
9	G	97.4	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.			trans	-98.5	29.4	-180	0	0	0	0	0	113.7	L14 D31 G37	G9-L14 WeakPolarHBondContact O-CD1 3.34Å; G9-D31 WeakPolarHBondContact CA-OD2 3.44Å; G9-D31 PolarHBondContact N-OD2 3.26Å; G9-G37 WeakPolarHBondContact O-CA 3.37Å; G9-G37 PolarHBondContact O-N 3.25Å
10	G	97.1	Very high	98.1	Very high	8 Å²	8	17.5 Å²	17.5	8%	0.082	9%	0.087	C	C	.	.	S	Bend	trans	-74.8	-174.5	168.9	0	0	0	0	0	113.2	S12 G13 L14	G10-S12 VanDerWaalsContact C-N 3.35Å; G10-S12 PolarHBondContact O-N 3.32Å; G10-G13 PolarHBondContact O-N 2.9Å; G10-L14 WeakPolarHBondContact O-CB 3.46Å; G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.45Å
11	P	97.7	Very high	98.1	Very high	18 Å²	18	17.1 Å²	17.1	12%	0.117	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-41	-177.9	20	-31.6	0	0	0	113.7	Y15 M40 I296 A299 F300	P11-Y15 WeakPolarHBondContact O-CB 3.43Å; P11-Y15 PolarHBondContact O-N 2.87Å; P11-M40 HydrophobicContact CB-SD 4.05Å; P11-M40 HydrophobicContact CG-CG 4.5Å; P11-M40 HydrophobicContact CG-SD 4.22Å; P11-I296 HydrophobicContact CB-CG2 4.12Å; P11-A299 HydrophobicContact CG-CB 4.49Å; P11-F300 HydrophobicContact CB-CD1 4.48Å; P11-F300 HydrophobicContact CB-CE1 3.8Å
12	S	98	Very high	98.3	Very high	5 Å²	5	12 Å²	12	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-66.3	-43.6	176.5	49.4	0	0	0	0	112.4	G10 Y15 A16 C283 A299	G10-S12 VanDerWaalsContact C-N 3.35Å; G10-S12 PolarHBondContact O-N 3.32Å; S12-Y15 PolarHBondContact O-N 3.15Å; S12-A16 VanDerWaalsContact O-CB 3.26Å; S12-A16 WeakPolarHBondContact O-CB 3.28Å; S12-A16 PolarHBondContact O-N 2.96Å; S12-C283 PolarHBondContact OG-O 3.44Å; S12-A299 WeakPolarHBondContact CA-O 3.47Å; S12-A299 WeakPolarHBondContact CB-O 3.33Å
13	G	98.6	Very high	98.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-40	180	0	0	0	0	0	113.3	G8 G10 A16 S17	G8-G13 WeakPolarHBondContact O-CA 3.33Å; G10-G13 PolarHBondContact O-N 2.9Å; G13-A16 PolarHBondContact O-N 3.39Å; G13-S17 WeakPolarHBondContact O-CB 3.47Å; G13-S17 PolarHBondContact O-N 3.09Å
14	L	98.8	Very high	98.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-45.4	173.2	-73	168.6	0	0	0	111.2	G9 G10 S17 F18 L29 L36 T66 I67 G70	G9-L14 WeakPolarHBondContact O-CD1 3.34Å; G10-L14 WeakPolarHBondContact O-CB 3.46Å; G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.45Å; L14-S17 WeakPolarHBondContact O-CB 3.28Å; L14-S17 PolarHBondContact O-N 3.04Å; L14-F18 PolarHBondContact O-N 2.92Å; L14-L29 HydrophobicContact CD2-CD2 4.04Å; L14-L36 HydrophobicContact CD2-CB 4.33Å; L14-L36 HydrophobicContact CD2-CD1 4.04Å; L14-T66 HydrophobicContact CB-CG2 4.15Å; L14-T66 HydrophobicContact CD1-CG2 3.89Å; L14-I67 HydrophobicContact CD1-CG1 3.94Å; L14-G70 WeakPolarHBondContact O-CA 3.31Å
15	Y	98.7	Very high	98.1	Very high	51 Å²	51	16.5 Å²	16.5	20%	0.2	9%	0.087	C	C	.	.	H	α-helix	trans	-69.9	-36.4	178.4	-158.1	-95.7	0	0	0	112.4	P11 S12 S17 F18 Y19 F300 A304	P11-Y15 WeakPolarHBondContact O-CB 3.43Å; P11-Y15 PolarHBondContact O-N 2.87Å; S12-Y15 PolarHBondContact O-N 3.15Å; Y15-S17 VanDerWaalsContact C-N 3.31Å; Y15-S17 PolarHBondContact O-N 2.87Å; Y15-F18 HydrophobicContact CE2-CD1 4.35Å; Y15-F18 PolarHBondContact O-N 3.3Å; Y15-Y19 AromaticContact CE1-CD2 3.86Å; Y15-Y19 HydrophobicContact CE1-CD2 3.86Å; Y15-Y19 WeakPolarHBondContact O-CB 2.98Å; Y15-Y19 PolarHBondContact O-N 2.86Å; Y15-F300 HydrophobicContact CD1-CB 4.08Å; Y15-F300 WeakPolarHBondContact CD1-O 3.32Å; Y15-F300 HydrophobicContact CD2-CB 4.22Å; Y15-F300 AromaticContact CD2-CD1 3.94Å; Y15-F300 HydrophobicContact CD2-CD1 3.94Å; Y15-F300 HydrophobicContact CD2-CG 4.16Å; Y15-F300 HydrophobicContact CE1-CB 4.33Å; Y15-F300 WeakPolarHBondContact CE1-O 3.47Å; Y15-F300 HydrophobicContact CE2-CB 4.48Å; Y15-F300 HydrophobicContact CG-CB 4.01Å; Y15-F300 AromaticContact CG-CD1 3.9Å; Y15-F300 HydrophobicContact CG-CD1 3.9Å; Y15-F300 HydrophobicContact CG-CG 4.24Å; Y15-A304 HydrophobicContact CD1-CB 4.39Å; Y15-A304 HydrophobicContact CE1-CB 3.99Å
16	A	98.8	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-40.6	170.6	0	0	0	0	0	111.8	I6 S12 G13 Y19 A20 I110 G303	I6-A16 HydrophobicContact CD1-CB 3.92Å; S12-A16 VanDerWaalsContact O-CB 3.26Å; S12-A16 WeakPolarHBondContact O-CB 3.28Å; S12-A16 PolarHBondContact O-N 2.96Å; G13-A16 PolarHBondContact O-N 3.39Å; A16-Y19 PolarHBondContact O-N 2.61Å; A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 2.72Å; A16-I110 HydrophobicContact CB-CD1 4.24Å; A16-I110 HydrophobicContact CB-CG2 4.42Å; A16-G303 WeakPolarHBondContact CA-O 3.38Å
17	S	98.9	Very high	98.1	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-48.4	175.4	174.1	0	0	0	0	111.5	I6 G13 L14 Y15 Y19 A20 G21 G70 P75	I6-S17 VanDerWaalsContact CD1-CA 3.42Å; I6-S17 VanDerWaalsContact CD1-N 3.28Å; G13-S17 WeakPolarHBondContact O-CB 3.47Å; G13-S17 PolarHBondContact O-N 3.09Å; L14-S17 WeakPolarHBondContact O-CB 3.28Å; L14-S17 PolarHBondContact O-N 3.04Å; Y15-S17 VanDerWaalsContact C-N 3.31Å; Y15-S17 PolarHBondContact O-N 2.87Å; S17-Y19 PolarHBondContact O-N 3.1Å; S17-A20 PolarHBondContact O-N 2.89Å; S17-G21 PolarHBondContact O-N 3.26Å; S17-G70 WeakPolarHBondContact CB-O 3.39Å; S17-G70 PolarHBondContact OG-O 2.77Å; S17-P75 WeakPolarHBondContact OG-CG 3.37Å
18	F	98.7	Very high	98.1	Very high	19 Å²	19	19.8 Å²	19.8	8%	0.083	11%	0.106	C	C	.	.	H	α-helix	trans	-57.7	-51.1	175.1	170.5	-104.8	0	0	0	111.7	L14 Y15 A20 G21 L22 Q69 F73 F331	L14-F18 PolarHBondContact O-N 2.92Å; Y15-F18 HydrophobicContact CE2-CD1 4.35Å; Y15-F18 PolarHBondContact O-N 3.3Å; F18-A20 PolarHBondContact O-N 3.18Å; F18-G21 PolarHBondContact O-N 2.9Å; F18-L22 HydrophobicContact CE1-CD2 4.5Å; F18-L22 PolarHBondContact O-N 2.73Å; F18-Q69 HydrophobicContact CB-CG 4.05Å; F18-Q69 HydrophobicContact CD1-CG 4.04Å; F18-Q69 HydrophobicContact CD2-CG 3.58Å; F18-Q69 WeakPolarHBondContact CD2-O 3.49Å; F18-Q69 HydrophobicContact CE1-CG 4.41Å; F18-Q69 HydrophobicContact CE2-CG 3.99Å; F18-Q69 HydrophobicContact CG-CG 3.6Å; F18-Q69 HydrophobicContact CZ-CG 4.39Å; F18-F73 HydrophobicContact CD2-CD2 4.08Å; F18-F73 AromaticContact CD2-CE2 3.78Å; F18-F73 HydrophobicContact CD2-CE2 3.78Å; F18-F73 HydrophobicContact CE2-CD2 4.43Å; F18-F73 AromaticContact CE2-CE2 3.71Å; F18-F73 HydrophobicContact CE2-CE2 3.71Å; F18-F73 HydrophobicContact CZ-CE2 4.48Å; F18-F73 VanDerWaalsContact O-CD2 3.31Å; F18-F73 WeakPolarHBondContact O-CD2 3.28Å; F18-F73 WeakPolarHBondContact O-CE2 3.24Å; F18-F331 HydrophobicContact CE2-CE1 4.27Å; F18-F331 HydrophobicContact CE2-CZ 4Å; F18-F331 AromaticContact CZ-CZ 3.87Å; F18-F331 HydrophobicContact CZ-CZ 3.87Å
19	Y	98.6	Very high	98.2	Very high	41 Å²	41	19.5 Å²	19.5	16%	0.161	10%	0.103	C	C	.	.	H	α-helix	trans	-71.1	-32.7	-174.6	-143.1	-82.8	0	0	0	112	Y15 A16 S17 L22 R23 A304 A307 N308	Y15-Y19 AromaticContact CE1-CD2 3.86Å; Y15-Y19 HydrophobicContact CE1-CD2 3.86Å; Y15-Y19 WeakPolarHBondContact O-CB 2.98Å; Y15-Y19 PolarHBondContact O-N 2.86Å; A16-Y19 PolarHBondContact O-N 2.61Å; S17-Y19 PolarHBondContact O-N 3.1Å; Y19-L22 HydrophobicContact CD2-CD2 4.36Å; Y19-L22 HydrophobicContact CE2-CD2 4.2Å; Y19-L22 WeakPolarHBondContact O-CB 3.47Å; Y19-L22 PolarHBondContact O-N 2.83Å; Y19-R23 HydrophobicContact CD1-CG 4.17Å; Y19-R23 HydrophobicContact CE1-CG 4.41Å; Y19-R23 VanDerWaalsContact O-CG 3.24Å; Y19-R23 WeakPolarHBondContact O-CG 3.44Å; Y19-R23 PolarHBondContact O-N 3.46Å; Y19-A304 HydrophobicContact CD1-CB 4.28Å; Y19-A304 HydrophobicContact CD2-CB 3.8Å; Y19-A304 HydrophobicContact CE1-CB 4.41Å; Y19-A304 HydrophobicContact CE2-CB 3.92Å; Y19-A304 HydrophobicContact CG-CB 3.98Å; Y19-A307 HydrophobicContact CD1-CB 4.17Å; Y19-A307 HydrophobicContact CG-CB 4.46Å; Y19-N308 VanDerWaalsContact CE1-OD1 3.24Å; Y19-N308 WeakPolarHBondContact CE1-OD1 3.28Å
20	A	98.5	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-45.8	171.4	0	0	0	0	0	111.7	V4 A16 S17 F18 L22 R23 D24 M25 V27 A307	V4-A20 HydrophobicContact CG1-CB 3.9Å; A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 2.72Å; S17-A20 PolarHBondContact O-N 2.89Å; F18-A20 PolarHBondContact O-N 3.18Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.26Å; A20-R23 CarbonylContact O-C 3.48Å; A20-R23 PolarHBondContact O-N 2.81Å; A20-R23 VanDerWaalsContact O-N 3.13Å; A20-D24 PolarHBondContact O-N 3.32Å; A20-M25 HydrophobicContact CB-CB 4.46Å; A20-M25 HydrophobicContact CB-CE 3.55Å; A20-M25 WeakPolarHBondContact O-CB 3.43Å; A20-M25 PolarHBondContact O-N 3.36Å; A20-M25 VanDerWaalsContact O-N 3.08Å; A20-V27 HydrophobicContact CB-CG2 3.52Å; A20-A307 HydrophobicContact CB-CB 4.22Å
21	G	98.1	Very high	98.2	Very high	9 Å²	9	19.7 Å²	19.7	9%	0.093	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-39.3	173.8	0	0	0	0	0	112.7	S17 F18 R23 D24	S17-G21 PolarHBondContact O-N 3.26Å; F18-G21 PolarHBondContact O-N 2.9Å; G21-R23 PolarHBondContact O-N 3.39Å; G21-D24 PolarHBondContact O-N 2.9Å
22	L	97.5	Very high	98	Very high	8 Å²	8	21 Å²	21	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-34.9	173.5	179.3	62.2	0	0	0	111.9	F18 Y19 A20 D24 F73 H328 V330 F331	F18-L22 HydrophobicContact CE1-CD2 4.5Å; F18-L22 PolarHBondContact O-N 2.73Å; Y19-L22 HydrophobicContact CD2-CD2 4.36Å; Y19-L22 HydrophobicContact CE2-CD2 4.2Å; Y19-L22 WeakPolarHBondContact O-CB 3.47Å; Y19-L22 PolarHBondContact O-N 2.83Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.26Å; L22-D24 PolarHBondContact O-N 3.31Å; L22-F73 HydrophobicContact CB-CE2 3.85Å; L22-F73 HydrophobicContact CB-CZ 4.14Å; L22-F73 HydrophobicContact CD1-CZ 4.2Å; L22-F73 VanDerWaalsContact N-CE2 3.26Å; L22-H328 HydrophobicContact CD1-CB 4.47Å; L22-H328 PolarHBondContact O-NE2 2.78Å; L22-V330 HydrophobicContact CD1-CG1 4.1Å; L22-F331 HydrophobicContact CD1-CE2 3.43Å; L22-F331 VanDerWaalsContact CD1-CE2 3.43Å; L22-F331 HydrophobicContact CD1-CZ 3.69Å
23	R	97	Very high	97.7	Very high	21 Å²	21	22.9 Å²	22.9	8%	0.079	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	14.4	176.3	-65.7	-67.6	-54.7	-102.8	4.7	113.5	Y19 A20 G21 M25 N308 K311 N319 A320 E321	Y19-R23 HydrophobicContact CD1-CG 4.17Å; Y19-R23 HydrophobicContact CE1-CG 4.41Å; Y19-R23 VanDerWaalsContact O-CG 3.24Å; Y19-R23 WeakPolarHBondContact O-CG 3.44Å; Y19-R23 PolarHBondContact O-N 3.46Å; A20-R23 CarbonylContact O-C 3.48Å; A20-R23 PolarHBondContact O-N 2.81Å; A20-R23 VanDerWaalsContact O-N 3.13Å; G21-R23 PolarHBondContact O-N 3.39Å; R23-M25 HydrophobicContact CB-CE 4.28Å; R23-M25 HydrophobicContact CB-CG 4.47Å; R23-N308 PolarHBondContact NH1-OD1 3.47Å; R23-K311 HydrophobicContact CB-CB 4.39Å; R23-K311 HydrophobicContact CB-CD 4.45Å; R23-K311 HydrophobicContact CB-CG 4.29Å; R23-K311 WeakPolarHBondContact O-CE 3.27Å; R23-K311 PolarHBondContact O-NZ 2.8Å; R23-N319 PolarHBondContact NH2-O 2.97Å; R23-A320 PolarHBondContact NH1-O 2.89Å; R23-E321 VanDerWaalsContact NH1-C 3.35Å
24	D	96.6	Very high	97.4	Very high	138 Å²	138	26.4 Å²	26.4	74%	0.738	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	52.2	-179	-167.6	41.7	0	0	0	111.8	A20 G21 L22 K311	A20-D24 PolarHBondContact O-N 3.32Å; G21-D24 PolarHBondContact O-N 2.9Å; L22-D24 PolarHBondContact O-N 3.31Å; D24-K311 PolarHBondContact O-NZ 3.39Å
25	M	98.4	Very high	97.2	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.059	16%	0.164	C	C	.	.			trans	-112.6	139.4	172.5	-62.4	-166.1	-71.4	0	0	110.2	D3 A20 R23 V27 A307 A310 K311 I314	D3-M25 HydrophobicContact CB-CB 3.89Å; D3-M25 HydrophobicContact CB-CG 4.34Å; A20-M25 HydrophobicContact CB-CB 4.46Å; A20-M25 HydrophobicContact CB-CE 3.55Å; A20-M25 WeakPolarHBondContact O-CB 3.43Å; A20-M25 PolarHBondContact O-N 3.36Å; A20-M25 VanDerWaalsContact O-N 3.08Å; R23-M25 HydrophobicContact CB-CE 4.28Å; R23-M25 HydrophobicContact CB-CG 4.47Å; M25-V27 PolarHBondContact O-N 3.38Å; M25-A307 HydrophobicContact CE-CB 4.47Å; M25-A307 WeakPolarHBondContact CE-O 3.41Å; M25-A310 HydrophobicContact CE-CB 4.36Å; M25-K311 HydrophobicContact CE-CB 4.12Å; M25-K311 HydrophobicContact CG-CD 3.78Å; M25-K311 HydrophobicContact SD-CB 3.85Å; M25-K311 HydrophobicContact SD-CD 3.85Å; M25-K311 HydrophobicContact SD-CG 4.42Å; M25-I314 HydrophobicContact SD-CD1 3.94Å
26	S	98.8	Very high	97.1	Very high	45 Å²	45	29.2 Å²	29.2	32%	0.315	16%	0.158	S	C	.	.			trans	-72.8	119.3	168.1	61.1	0	0	0	0	110.2	D3 V4	D3-S26 VanDerWaalsContact CG-OG 3.32Å; D3-S26 PolarHBondContact N-O 2.87Å; D3-S26 VanDerWaalsContact N-O 3.13Å; D3-S26 PolarHBondContact N-OG 2.87Å; D3-S26 WeakPolarHBondContact OD2-CB 3.24Å; D3-S26 PolarHBondContact OD2-N 2.91Å; D3-S26 PolarHBondContact OD2-OG 3Å; V4-S26 PolarHBondContact N-O 3.24Å; V4-S26 VanDerWaalsContact N-O 3.15Å
27	V	98.9	Very high	97	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.3	-173.8	-178.4	0	0	0	0	111.2	V4 I6 A20 M25 P75 E76	V4-V27 HydrophobicContact CG1-CB 4.41Å; V4-V27 HydrophobicContact CG1-CG1 4.44Å; V4-V27 HydrophobicContact CG1-CG2 3.9Å; I6-V27 HydrophobicContact CD1-CG1 3.77Å; I6-V27 HydrophobicContact CG1-CG1 4.29Å; A20-V27 HydrophobicContact CB-CG2 3.52Å; M25-V27 PolarHBondContact O-N 3.38Å; V27-P75 HydrophobicContact CB-CB 3.84Å; V27-P75 HydrophobicContact CG1-CB 3.77Å; V27-E76 PolarHBondContact O-N 3.17Å
28	R	98.8	Very high	96.7	Very high	23 Å²	23	29.7 Å²	29.7	9%	0.087	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.8	157.6	177.4	177.6	-66.3	127.3	-3.9	109.4	K2 V4 T5 I6 I30 E76	K2-R28 HydrophobicContact CG-CB 4.09Å; V4-R28 PolarHBondContact O-N 3.07Å; T5-R28 CarbonylContact C-O 3.57Å; T5-R28 WeakPolarHBondContact CA-O 3.39Å; T5-R28 HydrophobicContact CG2-CB 4.47Å; T5-R28 HydrophobicContact CG2-CG 4.36Å; I6-R28 PolarHBondContact N-O 3.21Å; R28-I30 HydrophobicContact CG-CD1 4.3Å; R28-I30 HydrophobicContact CG-CG1 3.87Å; R28-E76 CarbonylContact C-O 3.53Å; R28-E76 VanDerWaalsContact CA-O 3.28Å; R28-E76 WeakPolarHBondContact CA-O 3.5Å; R28-E76 HydrophobicContact CB-CB 4.48Å; R28-E76 IonicContact CZ-OE1 3.96Å; R28-E76 VanDerWaalsContact CZ-OE1 3.26Å; R28-E76 IonicContact CZ-OE2 3.62Å; R28-E76 IonicContact NE-OE1 2.68Å; R28-E76 PolarHBondContact NE-OE1 2.8Å; R28-E76 IonicContact NE-OE2 2.64Å; R28-E76 IonicContact NH2-OE1 3.78Å; R28-E76 PolarHBondContact NH2-OE1 2.95Å; R28-E76 IonicContact NH2-OE2 3.4Å; R28-E76 PolarHBondContact NH2-OE2 2.63Å
29	L	98.8	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.6	176.2	179.8	63.3	0	0	0	108.6	I6 L14 L36 E76 V77 H78	I6-L29 HydrophobicContact CB-CD1 3.8Å; I6-L29 HydrophobicContact CG2-CD1 3.67Å; I6-L29 WeakPolarHBondContact O-CA 3.41Å; L14-L29 HydrophobicContact CD2-CD2 4.04Å; L29-L36 HydrophobicContact CD2-CD1 4.38Å; L29-L36 HydrophobicContact CD2-CD2 3.76Å; L29-L36 HydrophobicContact CG-CD2 4.38Å; L29-E76 PolarHBondContact N-O 2.8Å; L29-V77 WeakPolarHBondContact O-CA 3.47Å; L29-H78 PolarHBondContact O-N 3.18Å
30	I	98.4	Very high	96.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	-179.1	-49.8	179.3	0	0	0	108.4	T5 I6 G8 R28 H78 E81 V83 V96 Y104	T5-I30 HydrophobicContact CG2-CD1 3.73Å; T5-I30 HydrophobicContact CG2-CG1 4.15Å; I6-I30 PolarHBondContact O-N 2.87Å; G8-I30 PolarHBondContact N-O 3.11Å; R28-I30 HydrophobicContact CG-CD1 4.3Å; R28-I30 HydrophobicContact CG-CG1 3.87Å; I30-H78 CarbonylContact C-O 3.55Å; I30-H78 WeakPolarHBondContact CA-O 3.42Å; I30-H78 HydrophobicContact CG1-CB 4.33Å; I30-H78 HydrophobicContact CG2-CB 4.31Å; I30-E81 HydrophobicContact CG2-CB 3.73Å; I30-E81 WeakPolarHBondContact CG2-O 3.16Å; I30-V83 HydrophobicContact CB-CG2 4.31Å; I30-V83 HydrophobicContact CD1-CG2 4.17Å; I30-V83 HydrophobicContact CG2-CG2 3.9Å; I30-V96 HydrophobicContact CD1-CG1 4.19Å; I30-Y104 HydrophobicContact CD1-CD2 3.46Å; I30-Y104 VanDerWaalsContact CD1-CD2 3.46Å; I30-Y104 HydrophobicContact CD1-CE2 3.82Å; I30-Y104 HydrophobicContact CD1-CG 4.29Å
31	D	96	Very high	95.9	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.059	17%	0.173	C	C	.	.			trans	-131	142.1	171.3	-156.2	-42.5	0	0	0	110.5	G9 Q33 L36 H78 L79 N80 E81	G9-D31 WeakPolarHBondContact CA-OD2 3.44Å; G9-D31 PolarHBondContact N-OD2 3.26Å; D31-Q33 VanDerWaalsContact C-N 3.27Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.18Å; D31-Q33 PolarHBondContact OD1-N 2.85Å; D31-L36 HydrophobicContact CB-CD2 4.39Å; D31-H78 PolarHBondContact N-O 3.27Å; D31-L79 HydrophobicContact CB-CD2 3.97Å; D31-L79 CarbonylContact O-C 3.59Å; D31-L79 WeakPolarHBondContact O-CA 3.39Å; D31-N80 PolarHBondContact O-N 3.15Å; D31-N80 VanDerWaalsContact O-N 3.11Å; D31-E81 CarbonylContact C-O 3.55Å; D31-E81 PolarHBondContact O-N 2.94Å
32	V	92.8	Very high	95.4	Very high	47 Å²	47	33.4 Å²	33.4	29%	0.285	18%	0.177	S	C	.	.	S	Bend	trans	-73.7	-23.7	173.9	66.9	0	0	0	0	111.8	N80 E81 R82 I117	V32-N80 WeakPolarHBondContact O-CA 3.41Å; V32-E81 WeakPolarHBondContact CA-O 3.45Å; V32-E81 PolarHBondContact N-O 2.94Å; V32-R82 HydrophobicContact CB-CB 4.4Å; V32-R82 HydrophobicContact CG2-CB 3.78Å; V32-R82 HydrophobicContact CG2-CG 4.3Å; V32-I117 HydrophobicContact CB-CD1 4.31Å; V32-I117 HydrophobicContact CG1-CB 4.4Å; V32-I117 HydrophobicContact CG1-CD1 3.94Å; V32-I117 HydrophobicContact CG1-CG1 3.86Å; V32-I117 HydrophobicContact CG1-CG2 3.89Å; V32-I117 HydrophobicContact CG2-CD1 4Å
33	Q	91.5	Very high	95.1	Very high	44 Å²	44	36.4 Å²	36.4	21%	0.206	19%	0.188	C	C	.	.	S	Bend	trans	-75.3	151.8	178.1	-60.9	-170.5	12.4	0	0	110.7	D31 E35 N80	D31-Q33 VanDerWaalsContact C-N 3.27Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.18Å; D31-Q33 PolarHBondContact OD1-N 2.85Å; Q33-E35 WeakPolarHBondContact CB-O 3.48Å; Q33-E35 PolarHBondContact O-N 3Å; Q33-N80 PolarHBondContact O-N 3.23Å; Q33-N80 VanDerWaalsContact O-N 3.15Å
34	S	92.3	Very high	95	Very high	74 Å²	74	35.5 Å²	35.5	52%	0.517	19%	0.185	S	C	.	.	S	Bend	trans	-68.2	-13.3	173.3	56.6	0	0	0	0	113.1	L79 N80	S34-L79 WeakPolarHBondContact O-CD1 3.35Å; S34-N80 VanDerWaalsContact CA-OD1 3.24Å; S34-N80 WeakPolarHBondContact CA-OD1 3.48Å; S34-N80 VanDerWaalsContact CB-OD1 3.24Å; S34-N80 WeakPolarHBondContact CB-OD1 3.2Å
35	E	94.6	Very high	94.7	Very high	99 Å²	99	29.7 Å²	29.7	46%	0.463	15%	0.154	S	C	.	.	S	Bend	trans	-145.6	146.7	179.4	-55.2	-178.6	87.4	0	0	111.9	Q33 R41	Q33-E35 WeakPolarHBondContact CB-O 3.48Å; Q33-E35 PolarHBondContact O-N 3Å; E35-R41 VanDerWaalsContact CB-NH2 3.32Å; E35-R41 VanDerWaalsContact CD-CZ 3.45Å; E35-R41 IonicContact OE1-CZ 3.25Å; E35-R41 IonicContact OE1-NH1 3.8Å; E35-R41 PolarHBondContact OE1-NH1 3.02Å; E35-R41 IonicContact OE1-NH2 2.65Å; E35-R41 PolarHBondContact OE1-NH2 3.16Å; E35-R41 IonicContact OE2-CZ 3.96Å; E35-R41 IonicContact OE2-NH1 3.14Å; E35-R41 PolarHBondContact OE2-NH1 3.05Å
36	L	97.2	Very high	94.4	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.063	16%	0.16	C	C	.	.	S	Bend	trans	-70.9	152.4	177.6	-61.4	169.2	0	0	0	112.1	L14 L29 D31 R41 I67 L71 V77 L79	L14-L36 HydrophobicContact CD2-CB 4.33Å; L14-L36 HydrophobicContact CD2-CD1 4.04Å; L29-L36 HydrophobicContact CD2-CD1 4.38Å; L29-L36 HydrophobicContact CD2-CD2 3.76Å; L29-L36 HydrophobicContact CG-CD2 4.38Å; D31-L36 HydrophobicContact CB-CD2 4.39Å; L36-R41 PolarHBondContact O-NE 3.49Å; L36-R41 PolarHBondContact O-NH2 2.87Å; L36-I67 HydrophobicContact CB-CD1 4.3Å; L36-I67 HydrophobicContact CB-CG1 4.09Å; L36-I67 HydrophobicContact CD1-CG2 4.35Å; L36-I67 WeakPolarHBondContact O-CD1 3.39Å; L36-L71 HydrophobicContact CD1-CD1 4.03Å; L36-L71 HydrophobicContact CD1-CD2 3.84Å; L36-L71 HydrophobicContact CD1-CG 4.2Å; L36-V77 HydrophobicContact CD1-CG1 4.31Å; L36-V77 HydrophobicContact CD2-CG1 4.41Å; L36-L79 HydrophobicContact CD2-CD2 3.74Å; L36-L79 HydrophobicContact CG-CD2 4Å
37	G	96.1	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.			trans	136.2	-21	173.4	0	0	0	0	0	114.7	G9 K39 M40	G9-G37 WeakPolarHBondContact O-CA 3.37Å; G9-G37 PolarHBondContact O-N 3.25Å; G37-K39 PolarHBondContact O-N 3.11Å; G37-M40 PolarHBondContact O-N 3.04Å
38	G	93.7	Very high	94.1	Very high	11 Å²	11	33.7 Å²	33.7	11%	0.113	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	52.8	-137.6	-177.8	0	0	0	0	0	112.2	M40 R41	G38-M40 PolarHBondContact O-N 3.2Å; G38-R41 WeakPolarHBondContact O-CB 3.12Å; G38-R41 PolarHBondContact O-N 2.95Å
39	K	91.6	Very high	94	Very high	60 Å²	60	41.8 Å²	41.8	26%	0.261	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-56.8	-23.9	-175.9	-73.7	-178.1	-176.7	171.6	0	115	G37 R41 I42 Y43 I118 D285	G37-K39 PolarHBondContact O-N 3.11Å; K39-R41 PolarHBondContact O-N 2.88Å; K39-R41 VanDerWaalsContact O-N 3.14Å; K39-I42 HydrophobicContact CB-CD1 4.22Å; K39-I42 HydrophobicContact CG-CD1 4.1Å; K39-I42 VanDerWaalsContact O-CB 3.28Å; K39-I42 WeakPolarHBondContact O-CB 3.2Å; K39-I42 PolarHBondContact O-N 3.21Å; K39-Y43 HydrophobicContact CB-CE1 4.31Å; K39-Y43 WeakPolarHBondContact O-CD1 3.43Å; K39-Y43 WeakPolarHBondContact O-CE1 3.48Å; K39-I118 HydrophobicContact CD-CD1 3.92Å; K39-I118 HydrophobicContact CG-CD1 3.49Å; K39-I118 VanDerWaalsContact CG-CD1 3.49Å; K39-D285 IonicContact NZ-OD2 2.92Å; K39-D285 PolarHBondContact NZ-OD2 2.82Å
40	M	94.1	Very high	93.9	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.4	-23.8	177.3	-68.4	179.2	73.1	0	0	112.2	P11 G37 G38 I42 C59 I62 L63 I296	P11-M40 HydrophobicContact CB-SD 4.05Å; P11-M40 HydrophobicContact CG-CG 4.5Å; P11-M40 HydrophobicContact CG-SD 4.22Å; G37-M40 PolarHBondContact O-N 3.04Å; G38-M40 PolarHBondContact O-N 3.2Å; M40-I42 PolarHBondContact O-N 2.76Å; M40-C59 PolarHBondContact O-SG 3.43Å; M40-I62 HydrophobicContact CE-CB 3.94Å; M40-I62 HydrophobicContact CE-CG2 3.71Å; M40-L63 HydrophobicContact CB-CD1 4.25Å; M40-L63 HydrophobicContact CB-CD2 4.49Å; M40-L63 HydrophobicContact CE-CB 3.96Å; M40-L63 HydrophobicContact SD-CD1 4.49Å; M40-I296 HydrophobicContact CE-CD1 4.34Å; M40-I296 HydrophobicContact CG-CD1 4.14Å; M40-I296 HydrophobicContact SD-CD1 4.25Å
41	R	91.8	Very high	93.8	Very high	50 Å²	50	46.3 Å²	46.3	19%	0.189	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-72.5	-9.9	173.4	-68.8	-163	174.7	-100.6	-6.6	114.8	E35 L36 G38 K39 P44 L63 V139	E35-R41 VanDerWaalsContact CB-NH2 3.32Å; E35-R41 VanDerWaalsContact CD-CZ 3.45Å; E35-R41 IonicContact OE1-CZ 3.25Å; E35-R41 IonicContact OE1-NH1 3.8Å; E35-R41 PolarHBondContact OE1-NH1 3.02Å; E35-R41 IonicContact OE1-NH2 2.65Å; E35-R41 PolarHBondContact OE1-NH2 3.16Å; E35-R41 IonicContact OE2-CZ 3.96Å; E35-R41 IonicContact OE2-NH1 3.14Å; E35-R41 PolarHBondContact OE2-NH1 3.05Å; L36-R41 PolarHBondContact O-NE 3.49Å; L36-R41 PolarHBondContact O-NH2 2.87Å; G38-R41 WeakPolarHBondContact O-CB 3.12Å; G38-R41 PolarHBondContact O-N 2.95Å; K39-R41 PolarHBondContact O-N 2.88Å; K39-R41 VanDerWaalsContact O-N 3.14Å; R41-P44 WeakPolarHBondContact O-CD 3.36Å; R41-L63 HydrophobicContact CG-CD2 3.79Å; R41-V139 WeakPolarHBondContact O-CG1 3.25Å
42	I	89.3	Confident	93.8	Very high	37 Å²	37	49.1 Å²	49.1	19%	0.19	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-84.6	-28.2	179.9	-61.2	169	0	0	0	111.6	K39 M40 I118 V139 F245	K39-I42 HydrophobicContact CB-CD1 4.22Å; K39-I42 HydrophobicContact CG-CD1 4.1Å; K39-I42 VanDerWaalsContact O-CB 3.28Å; K39-I42 WeakPolarHBondContact O-CB 3.2Å; K39-I42 PolarHBondContact O-N 3.21Å; M40-I42 PolarHBondContact O-N 2.76Å; I42-I118 HydrophobicContact CD1-CB 4.32Å; I42-I118 HydrophobicContact CD1-CD1 4.3Å; I42-I118 HydrophobicContact CD1-CG2 3.51Å; I42-V139 VanDerWaalsContact O-CG1 3.31Å; I42-V139 WeakPolarHBondContact O-CG1 3.17Å; I42-F245 HydrophobicContact CB-CZ 4.5Å; I42-F245 HydrophobicContact CD1-CE1 4.34Å; I42-F245 HydrophobicContact CD1-CZ 4.47Å; I42-F245 HydrophobicContact CG1-CE1 4.2Å; I42-F245 HydrophobicContact CG1-CZ 4.27Å; I42-F245 HydrophobicContact CG2-CE1 4.31Å; I42-F245 HydrophobicContact CG2-CE2 3.97Å; I42-F245 HydrophobicContact CG2-CZ 3.55Å
43	Y	90.9	Very high	93.9	Very high	70 Å²	70	51.3 Å²	51.3	28%	0.275	29%	0.287	S	S	.	.	S	Bend	trans	-131.3	46.4	-177.7	49.7	-94.1	0	0	0	112.2	K39 E45 K46 I48 C59	K39-Y43 HydrophobicContact CB-CE1 4.31Å; K39-Y43 WeakPolarHBondContact O-CD1 3.43Å; K39-Y43 WeakPolarHBondContact O-CE1 3.48Å; Y43-E45 WeakPolarHBondContact CA-OE2 3.27Å; Y43-E45 PolarHBondContact O-N 2.88Å; Y43-E45 VanDerWaalsContact O-N 3.15Å; Y43-K46 PolarHBondContact O-N 2.89Å; Y43-K46 VanDerWaalsContact O-N 3.13Å; Y43-I48 HydrophobicContact CD2-CD1 4.11Å; Y43-I48 HydrophobicContact CE2-CD1 3.99Å; Y43-C59 HydrophobicContact CD2-CB 4.04Å; Y43-C59 HydrophobicContact CE2-CB 4.39Å; Y43-C59 VanDerWaalsContact CE2-SG 3.52Å; Y43-C59 WeakPolarHBondContact O-CB 3.46Å
44	P	93.5	Very high	94.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.013	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.5	-175.1	28.2	-36.7	0	0	0	113.1	R41 C59 H60 V139 V140	R41-P44 WeakPolarHBondContact O-CD 3.36Å; P44-C59 PolarHBondContact O-N 2.92Å; P44-H60 HydrophobicContact CB-CB 3.96Å; P44-H60 PolarHBondContact O-CD2 3.23Å; P44-H60 VanDerWaalsContact O-CD2 3.24Å; P44-H60 PolarHBondContact O-N 2.94Å; P44-V139 HydrophobicContact CG-CG1 4.31Å; P44-V140 WeakPolarHBondContact CG-O 3.45Å
45	E	91.6	Very high	94.2	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.075	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.8	-178.6	81.6	-69.9	-171.4	0	0	113.9	Y43 V140 Y143 W163	Y43-E45 WeakPolarHBondContact CA-OE2 3.27Å; Y43-E45 PolarHBondContact O-N 2.88Å; Y43-E45 VanDerWaalsContact O-N 3.15Å; E45-V140 HydrophobicContact CG-CG1 4.2Å; E45-Y143 HydrophobicContact CB-CE2 4.29Å; E45-Y143 HydrophobicContact CG-CD2 4.47Å; E45-Y143 HydrophobicContact CG-CE1 3.86Å; E45-Y143 HydrophobicContact CG-CE2 3.78Å; E45-Y143 VanDerWaalsContact CG-CZ 3.43Å; E45-W163 PolarHBondContact OE1-NE1 2.79Å
46	K	91.7	Very high	94.3	Very high	44 Å²	44	50 Å²	50	19%	0.191	29%	0.292	C	S	.	.	S	Bend	trans	-75.1	141	-173.9	-64.7	-68.7	170.2	177.8	0	111.5	Y43 P58 C59 Y143 D162 D166	Y43-K46 PolarHBondContact O-N 2.89Å; Y43-K46 VanDerWaalsContact O-N 3.13Å; K46-P58 CarbonylContact O-C 3.51Å; K46-P58 WeakPolarHBondContact O-CA 3.49Å; K46-C59 PolarHBondContact O-N 3.45Å; K46-Y143 WeakPolarHBondContact CE-OH 3.46Å; K46-Y143 PolarHBondContact NZ-OH 3.16Å; K46-Y143 VanDerWaalsContact NZ-OH 3.09Å; K46-D162 WeakPolarHBondContact CE-OD2 3.17Å; K46-D162 IonicContact NZ-OD1 3.31Å; K46-D162 PolarHBondContact NZ-OD1 2.91Å; K46-D162 VanDerWaalsContact NZ-OD1 3.14Å; K46-D162 IonicContact NZ-OD2 3.66Å; K46-D162 PolarHBondContact NZ-OD2 3.25Å; K46-D166 IonicContact NZ-OD2 3.26Å; K46-D166 PolarHBondContact NZ-OD2 2.8Å
47	I	94.9	Very high	94.3	Very high	85 Å²	85	52 Å²	52	44%	0.436	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.4	176.8	-51.6	-55.9	0	0	0	109.1	P56 K57 P58	I47-P56 HydrophobicContact CG2-CB 3.78Å; I47-K57 WeakPolarHBondContact CA-O 3.29Å; I47-P58 HydrophobicContact CD1-CB 4.27Å; I47-P58 HydrophobicContact CD1-CG 3.72Å
48	I	96.2	Very high	94.2	Very high	20 Å²	20	53.4 Å²	53.4	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	179.7	-49.8	-58.8	0	0	0	109.3	Y43 D50 I51 P56 K57 C59 I62	Y43-I48 HydrophobicContact CD2-CD1 4.11Å; Y43-I48 HydrophobicContact CE2-CD1 3.99Å; I48-D50 VanDerWaalsContact CG2-OD1 3.28Å; I48-D50 WeakPolarHBondContact CG2-OD1 3.35Å; I48-I51 HydrophobicContact CG2-CD1 3.92Å; I48-I51 HydrophobicContact CG2-CG1 3.86Å; I48-P56 WeakPolarHBondContact O-CA 3.44Å; I48-K57 PolarHBondContact N-O 3.1Å; I48-C59 HydrophobicContact CD1-CB 4.18Å; I48-C59 HydrophobicContact CG1-CB 3.85Å; I48-I62 HydrophobicContact CB-CD1 3.55Å; I48-I62 HydrophobicContact CG1-CD1 3.85Å; I48-I62 HydrophobicContact CG2-CD1 4.16Å
49	W	97.2	Very high	94.4	Very high	194 Å²	194	52.9 Å²	52.9	74%	0.735	30%	0.303	S	S	*	.			trans	-114.7	-17.6	-174.8	-73.6	75.1	0	0	0	113.8	P56	W49-P56 HydrophobicContact CD2-CB 3.74Å; W49-P56 HydrophobicContact CD2-CG 3.43Å; W49-P56 VanDerWaalsContact CD2-CG 3.43Å; W49-P56 HydrophobicContact CE3-CB 4.09Å; W49-P56 HydrophobicContact CE3-CG 3.25Å; W49-P56 HydrophobicContact CG-CB 4.21Å; W49-P56 HydrophobicContact CG-CG 4.17Å; W49-P56 HydrophobicContact CH2-CB 4.16Å; W49-P56 HydrophobicContact CH2-CG 3.67Å; W49-P56 HydrophobicContact CZ2-CB 3.84Å; W49-P56 HydrophobicContact CZ2-CG 3.84Å; W49-P56 HydrophobicContact CZ3-CB 4.29Å; W49-P56 HydrophobicContact CZ3-CG 3.38Å
50	D	96.2	Very high	94.5	Very high	87 Å²	87	54 Å²	54	47%	0.465	31%	0.309	S	S	.	.			trans	-111.5	25	-161.1	58.8	-8.2	0	0	0	113.2	I48 L295	I48-D50 VanDerWaalsContact CG2-OD1 3.28Å; I48-D50 WeakPolarHBondContact CG2-OD1 3.35Å; D50-L295 WeakPolarHBondContact OD2-CD2 3.26Å
51	I	96.6	Very high	94.7	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.046	33%	0.329	C	S	.	.	S	Bend	trans	-101.5	114.9	167.1	-55	177.3	0	0	0	109	I48 G53 I54 I62 I296 F300	I48-I51 HydrophobicContact CG2-CD1 3.92Å; I48-I51 HydrophobicContact CG2-CG1 3.86Å; I51-G53 PolarHBondContact O-N 2.8Å; I51-I54 HydrophobicContact CB-CB 4.28Å; I51-I54 HydrophobicContact CB-CD1 4.09Å; I51-I54 HydrophobicContact CB-CG1 4.33Å; I51-I54 HydrophobicContact CG2-CB 4.41Å; I51-I54 HydrophobicContact CG2-CD1 3.5Å; I51-I54 HydrophobicContact CG2-CG1 3.91Å; I51-I54 PolarHBondContact O-N 3.34Å; I51-I62 HydrophobicContact CD1-CD1 4.13Å; I51-I62 HydrophobicContact CD1-CG2 3.71Å; I51-I296 HydrophobicContact CD1-CB 3.98Å; I51-I296 HydrophobicContact CD1-CD1 4.02Å; I51-I296 HydrophobicContact CD1-CG2 3.65Å; I51-I296 HydrophobicContact CG1-CB 4.1Å; I51-I296 HydrophobicContact CG1-CG2 4.17Å; I51-F300 HydrophobicContact CG2-CD2 4.49Å; I51-F300 HydrophobicContact CG2-CE2 3.93Å
52	G	95.8	Very high	94.9	Very high	70 Å²	70	55.9 Å²	55.9	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	130.1	-177.5	0	0	0	0	0	113.1	I54	G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 3.36Å
53	G	95.4	Very high	95.3	Very high	93 Å²	93	54.7 Å²	54.7	96%	0.959	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-0.7	-179.6	0	0	0	0	0	115.3	I51	I51-G53 PolarHBondContact O-N 2.8Å
54	I	95.4	Very high	95.6	Very high	54 Å²	54	58.9 Å²	58.9	28%	0.277	33%	0.334	S	S	.	.			trans	-110.7	118.2	179.1	-54.1	-170.7	0	0	0	109.4	I51 G52 K57 I62	I51-I54 HydrophobicContact CB-CB 4.28Å; I51-I54 HydrophobicContact CB-CD1 4.09Å; I51-I54 HydrophobicContact CB-CG1 4.33Å; I51-I54 HydrophobicContact CG2-CB 4.41Å; I51-I54 HydrophobicContact CG2-CD1 3.5Å; I51-I54 HydrophobicContact CG2-CG1 3.91Å; I51-I54 PolarHBondContact O-N 3.34Å; G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 3.36Å; I54-K57 HydrophobicContact CG2-CD 4.36Å; I54-K57 VanDerWaalsContact CG2-CE 3.43Å; I54-I62 HydrophobicContact CD1-CG2 4.36Å; I54-I62 HydrophobicContact CG2-CG1 4.41Å
55	A	94.9	Very high	95.8	Very high	73 Å²	73	62.8 Å²	62.8	60%	0.603	36%	0.355	S	S	*	.			trans	-65.7	153.1	172.2	0	0	0	0	0	111.1	K57	A55-K57 PolarHBondContact O-N 3.22Å
56	P	96.9	Very high	96.1	Very high	63 Å²	63	62.4 Å²	62.4	41%	0.409	35%	0.354	S	S	.	.	S	Bend	trans	-55.8	125.1	-174.7	-24.8	34.1	0	0	0	112.4	I47 I48 W49	I47-P56 HydrophobicContact CG2-CB 3.78Å; I48-P56 WeakPolarHBondContact O-CA 3.44Å; W49-P56 HydrophobicContact CD2-CB 3.74Å; W49-P56 HydrophobicContact CD2-CG 3.43Å; W49-P56 VanDerWaalsContact CD2-CG 3.43Å; W49-P56 HydrophobicContact CE3-CB 4.09Å; W49-P56 HydrophobicContact CE3-CG 3.25Å; W49-P56 HydrophobicContact CG-CB 4.21Å; W49-P56 HydrophobicContact CG-CG 4.17Å; W49-P56 HydrophobicContact CH2-CB 4.16Å; W49-P56 HydrophobicContact CH2-CG 3.67Å; W49-P56 HydrophobicContact CZ2-CB 3.84Å; W49-P56 HydrophobicContact CZ2-CG 3.84Å; W49-P56 HydrophobicContact CZ3-CB 4.29Å; W49-P56 HydrophobicContact CZ3-CG 3.38Å
57	K	95.6	Very high	96.5	Very high	53 Å²	53	62 Å²	62	23%	0.23	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	163.6	177.4	73.6	178.9	86.1	174.8	0	111.1	I47 I48 I54 A55 E61 I62	I47-K57 WeakPolarHBondContact CA-O 3.29Å; I48-K57 PolarHBondContact N-O 3.1Å; I54-K57 HydrophobicContact CG2-CD 4.36Å; I54-K57 VanDerWaalsContact CG2-CE 3.43Å; A55-K57 PolarHBondContact O-N 3.22Å; K57-E61 HydrophobicContact CD-CB 3.66Å; K57-E61 HydrophobicContact CG-CB 4.19Å; K57-I62 HydrophobicContact CD-CG1 3.71Å; K57-I62 HydrophobicContact CG-CD1 3.87Å; K57-I62 HydrophobicContact CG-CG1 3.53Å
58	P	95.1	Very high	96.6	Very high	29 Å²	29	65.4 Å²	65.4	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	141.7	174.5	-23.8	34.1	0	0	0	112.6	K46 I47 H60 E61	K46-P58 CarbonylContact O-C 3.51Å; K46-P58 WeakPolarHBondContact O-CA 3.49Å; I47-P58 HydrophobicContact CD1-CB 4.27Å; I47-P58 HydrophobicContact CD1-CG 3.72Å; P58-H60 WeakPolarHBondContact CB-CD2 3.44Å; P58-H60 VanDerWaalsContact CB-NE2 3.31Å; P58-H60 WeakPolarHBondContact CB-NE2 3.44Å; P58-H60 PolarHBondContact O-N 3.12Å; P58-H60 VanDerWaalsContact O-N 3.16Å; P58-E61 WeakPolarHBondContact O-CB 3.29Å; P58-E61 PolarHBondContact O-N 3.05Å
59	C	96.9	Very high	96.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-54.9	-35.1	-179.8	-176.1	0	0	0	0	112.4	M40 Y43 P44 K46 I48 E61 I62 L63	M40-C59 PolarHBondContact O-SG 3.43Å; Y43-C59 HydrophobicContact CD2-CB 4.04Å; Y43-C59 HydrophobicContact CE2-CB 4.39Å; Y43-C59 VanDerWaalsContact CE2-SG 3.52Å; Y43-C59 WeakPolarHBondContact O-CB 3.46Å; P44-C59 PolarHBondContact O-N 2.92Å; K46-C59 PolarHBondContact O-N 3.45Å; I48-C59 HydrophobicContact CD1-CB 4.18Å; I48-C59 HydrophobicContact CG1-CB 3.85Å; C59-E61 VanDerWaalsContact C-N 3.26Å; C59-E61 PolarHBondContact O-N 2.96Å; C59-I62 PolarHBondContact O-N 3.42Å; C59-I62 VanDerWaalsContact O-N 3.16Å; C59-L63 VanDerWaalsContact O-CB 3.32Å; C59-L63 WeakPolarHBondContact O-CB 3.49Å; C59-L63 PolarHBondContact O-N 3.46Å
60	H	95.3	Very high	96.8	Very high	83 Å²	83	58.3 Å²	58.3	38%	0.384	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-31.3	177.9	70.6	75.6	0	0	0	113.6	P44 P58 K64	P44-H60 HydrophobicContact CB-CB 3.96Å; P44-H60 PolarHBondContact O-CD2 3.23Å; P44-H60 VanDerWaalsContact O-CD2 3.24Å; P44-H60 PolarHBondContact O-N 2.94Å; P58-H60 WeakPolarHBondContact CB-CD2 3.44Å; P58-H60 VanDerWaalsContact CB-NE2 3.31Å; P58-H60 WeakPolarHBondContact CB-NE2 3.44Å; P58-H60 PolarHBondContact O-N 3.12Å; P58-H60 VanDerWaalsContact O-N 3.16Å; H60-K64 PolarHBondContact O-N 3.07Å; H60-K64 VanDerWaalsContact O-N 3.12Å
61	E	96.7	Very high	96.9	Very high	89 Å²	89	56.9 Å²	56.9	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-71.9	-42.4	176.1	-62.9	-167.9	-173	0	0	110.9	K57 P58 C59 L63 K64 D65	K57-E61 HydrophobicContact CD-CB 3.66Å; K57-E61 HydrophobicContact CG-CB 4.19Å; P58-E61 WeakPolarHBondContact O-CB 3.29Å; P58-E61 PolarHBondContact O-N 3.05Å; C59-E61 VanDerWaalsContact C-N 3.26Å; C59-E61 PolarHBondContact O-N 2.96Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-K64 WeakPolarHBondContact O-CB 3.4Å; E61-K64 PolarHBondContact O-N 3.01Å; E61-D65 PolarHBondContact O-N 3.18Å
62	I	97.8	Very high	97	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-42.3	176.6	-56	169.1	0	0	0	109.8	M40 I48 I51 I54 K57 C59 K64 D65 T66	M40-I62 HydrophobicContact CE-CB 3.94Å; M40-I62 HydrophobicContact CE-CG2 3.71Å; I48-I62 HydrophobicContact CB-CD1 3.55Å; I48-I62 HydrophobicContact CG1-CD1 3.85Å; I48-I62 HydrophobicContact CG2-CD1 4.16Å; I51-I62 HydrophobicContact CD1-CD1 4.13Å; I51-I62 HydrophobicContact CD1-CG2 3.71Å; I54-I62 HydrophobicContact CD1-CG2 4.36Å; I54-I62 HydrophobicContact CG2-CG1 4.41Å; K57-I62 HydrophobicContact CD-CG1 3.71Å; K57-I62 HydrophobicContact CG-CD1 3.87Å; K57-I62 HydrophobicContact CG-CG1 3.53Å; C59-I62 PolarHBondContact O-N 3.42Å; C59-I62 VanDerWaalsContact O-N 3.16Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.38Å; I62-D65 PolarHBondContact O-N 3.29Å; I62-T66 WeakPolarHBondContact O-CB 3.2Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 3.06Å
63	L	97	Very high	97.1	Very high	13 Å²	13	60 Å²	60	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-44.3	177.9	173.2	56.7	0	0	0	111.2	M40 R41 C59 E61 D65 T66 I67	M40-L63 HydrophobicContact CB-CD1 4.25Å; M40-L63 HydrophobicContact CB-CD2 4.49Å; M40-L63 HydrophobicContact CE-CB 3.96Å; M40-L63 HydrophobicContact SD-CD1 4.49Å; R41-L63 HydrophobicContact CG-CD2 3.79Å; C59-L63 VanDerWaalsContact O-CB 3.32Å; C59-L63 WeakPolarHBondContact O-CB 3.49Å; C59-L63 PolarHBondContact O-N 3.46Å; E61-L63 VanDerWaalsContact C-N 3.33Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 3.39Å; L63-T66 PolarHBondContact O-N 3.49Å; L63-I67 HydrophobicContact CD1-CD1 3.73Å; L63-I67 HydrophobicContact CD1-CG1 3.89Å; L63-I67 HydrophobicContact CG-CD1 3.97Å; L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 PolarHBondContact O-N 3.19Å
64	K	97.6	Very high	97.2	Very high	157 Å²	157	64.5 Å²	64.5	68%	0.683	32%	0.316	S	S	*	.	H	α-helix	trans	-57.2	-47	176.9	-178.5	-177.6	177.5	-178.6	0	111.8	H60 E61 I62 K68	H60-K64 PolarHBondContact O-N 3.07Å; H60-K64 VanDerWaalsContact O-N 3.12Å; E61-K64 WeakPolarHBondContact O-CB 3.4Å; E61-K64 PolarHBondContact O-N 3.01Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.38Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 2.93Å
65	D	97.3	Very high	97.4	Very high	84 Å²	84	62.8 Å²	62.8	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-40.1	177.9	-71	-26	0	0	0	111.6	E61 I62 L63 K68 Q69	E61-D65 PolarHBondContact O-N 3.18Å; I62-D65 PolarHBondContact O-N 3.29Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 3.39Å; D65-K68 PolarHBondContact O-N 3.39Å; D65-Q69 WeakPolarHBondContact O-CB 3.3Å; D65-Q69 PolarHBondContact O-N 2.81Å
66	T	98.3	Very high	97.6	Very high	8 Å²	8	62 Å²	62	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-44	178.8	-54.6	0	0	0	0	111.6	L14 I62 L63 Q69 G70 F300	L14-T66 HydrophobicContact CB-CG2 4.15Å; L14-T66 HydrophobicContact CD1-CG2 3.89Å; I62-T66 WeakPolarHBondContact O-CB 3.2Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 3.06Å; L63-T66 PolarHBondContact O-N 3.49Å; T66-Q69 PolarHBondContact O-N 2.81Å; T66-G70 PolarHBondContact O-N 2.79Å; T66-F300 HydrophobicContact CG2-CE1 3.98Å; T66-F300 HydrophobicContact CG2-CZ 4.27Å
67	I	98.6	Very high	97.6	Very high	35 Å²	35	61.5 Å²	61.5	18%	0.179	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-49.3	174.5	-68.4	167.1	0	0	0	110.2	L14 L36 L63 Q69 G70 L71	L14-I67 HydrophobicContact CD1-CG1 3.94Å; L36-I67 HydrophobicContact CB-CD1 4.3Å; L36-I67 HydrophobicContact CB-CG1 4.09Å; L36-I67 HydrophobicContact CD1-CG2 4.35Å; L36-I67 WeakPolarHBondContact O-CD1 3.39Å; L63-I67 HydrophobicContact CD1-CD1 3.73Å; L63-I67 HydrophobicContact CD1-CG1 3.89Å; L63-I67 HydrophobicContact CG-CD1 3.97Å; L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 PolarHBondContact O-N 3.19Å; I67-Q69 VanDerWaalsContact C-N 3.25Å; I67-Q69 PolarHBondContact O-N 2.84Å; I67-G70 PolarHBondContact O-N 3.46Å; I67-G70 VanDerWaalsContact O-N 3.17Å; I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 HydrophobicContact CG2-CG 4.21Å; I67-L71 WeakPolarHBondContact O-CB 3.37Å; I67-L71 WeakPolarHBondContact O-CG 3.22Å; I67-L71 PolarHBondContact O-N 2.89Å
68	K	98.3	Very high	97.8	Very high	157 Å²	157	60.8 Å²	60.8	68%	0.683	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-41.7	-179.4	-176.3	-177.3	176.5	-171.8	0	111.6	K64 D65 Y72	K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 2.93Å; D65-K68 PolarHBondContact O-N 3.39Å; K68-Y72 PolarHBondContact O-N 3.29Å
69	Q	98.1	Very high	97.9	Very high	64 Å²	64	62 Å²	62	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-49.5	175.5	-176.2	177.2	24.7	0	0	111.5	F18 D65 T66 I67 L71 Y72	F18-Q69 HydrophobicContact CB-CG 4.05Å; F18-Q69 HydrophobicContact CD1-CG 4.04Å; F18-Q69 HydrophobicContact CD2-CG 3.58Å; F18-Q69 WeakPolarHBondContact CD2-O 3.49Å; F18-Q69 HydrophobicContact CE1-CG 4.41Å; F18-Q69 HydrophobicContact CE2-CG 3.99Å; F18-Q69 HydrophobicContact CG-CG 3.6Å; F18-Q69 HydrophobicContact CZ-CG 4.39Å; D65-Q69 WeakPolarHBondContact O-CB 3.3Å; D65-Q69 PolarHBondContact O-N 2.81Å; T66-Q69 PolarHBondContact O-N 2.81Å; I67-Q69 VanDerWaalsContact C-N 3.25Å; I67-Q69 PolarHBondContact O-N 2.84Å; Q69-L71 PolarHBondContact O-N 2.93Å; Q69-L71 VanDerWaalsContact O-N 3.14Å; Q69-Y72 WeakPolarHBondContact O-CB 3.37Å; Q69-Y72 PolarHBondContact O-N 2.67Å
70	G	98.6	Very high	97.8	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-26.5	-178.9	0	0	0	0	0	114.3	L14 S17 T66 I67	L14-G70 WeakPolarHBondContact O-CA 3.31Å; S17-G70 WeakPolarHBondContact CB-O 3.39Å; S17-G70 PolarHBondContact OG-O 2.77Å; T66-G70 PolarHBondContact O-N 2.79Å; I67-G70 PolarHBondContact O-N 3.46Å; I67-G70 VanDerWaalsContact O-N 3.17Å
71	L	98.7	Very high	97.8	Very high	58 Å²	58	65.5 Å²	65.5	30%	0.304	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.7	177.7	-60.5	-176.5	0	0	0	114.4	L36 I67 Q69 F73 K74 P75 V77	L36-L71 HydrophobicContact CD1-CD1 4.03Å; L36-L71 HydrophobicContact CD1-CD2 3.84Å; L36-L71 HydrophobicContact CD1-CG 4.2Å; I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 HydrophobicContact CG2-CG 4.21Å; I67-L71 WeakPolarHBondContact O-CB 3.37Å; I67-L71 WeakPolarHBondContact O-CG 3.22Å; I67-L71 PolarHBondContact O-N 2.89Å; Q69-L71 PolarHBondContact O-N 2.93Å; Q69-L71 VanDerWaalsContact O-N 3.14Å; L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 3.41Å; L71-K74 PolarHBondContact O-N 2.78Å; L71-P75 HydrophobicContact CD2-CG 3.71Å; L71-V77 HydrophobicContact CD2-CG2 3.58Å
72	Y	98.1	Very high	97.7	Very high	92 Å²	92	64.8 Å²	64.8	36%	0.361	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-43.9	-171.4	-176.4	-90.5	0	0	0	113.2	K68 Q69 K74 F331 A334	K68-Y72 PolarHBondContact O-N 3.29Å; Q69-Y72 WeakPolarHBondContact O-CB 3.37Å; Q69-Y72 PolarHBondContact O-N 2.67Å; Y72-K74 PolarHBondContact O-N 2.87Å; Y72-F331 AromaticContact CD1-CE1 3.93Å; Y72-F331 HydrophobicContact CD1-CE1 3.93Å; Y72-F331 AromaticContact CE1-CD1 3.69Å; Y72-F331 HydrophobicContact CE1-CD1 3.69Å; Y72-F331 AromaticContact CE1-CE1 3.38Å; Y72-F331 HydrophobicContact CE1-CE1 3.38Å; Y72-F331 AromaticContact CZ-CD1 3.73Å; Y72-F331 AromaticContact CZ-CE1 3.79Å; Y72-F331 WeakPolarHBondContact OH-CD1 3.5Å; Y72-A334 WeakPolarHBondContact OH-CB 3.34Å
73	F	98.1	Very high	97.6	Very high	52 Å²	52	65.2 Å²	65.2	23%	0.228	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	16.1	179.4	-65.6	-72	0	0	0	113.9	F18 L22 L71 V330 F331	F18-F73 HydrophobicContact CD2-CD2 4.08Å; F18-F73 AromaticContact CD2-CE2 3.78Å; F18-F73 HydrophobicContact CD2-CE2 3.78Å; F18-F73 HydrophobicContact CE2-CD2 4.43Å; F18-F73 AromaticContact CE2-CE2 3.71Å; F18-F73 HydrophobicContact CE2-CE2 3.71Å; F18-F73 HydrophobicContact CZ-CE2 4.48Å; F18-F73 VanDerWaalsContact O-CD2 3.31Å; F18-F73 WeakPolarHBondContact O-CD2 3.28Å; F18-F73 WeakPolarHBondContact O-CE2 3.24Å; L22-F73 HydrophobicContact CB-CE2 3.85Å; L22-F73 HydrophobicContact CB-CZ 4.14Å; L22-F73 HydrophobicContact CD1-CZ 4.2Å; L22-F73 VanDerWaalsContact N-CE2 3.26Å; L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 3.41Å; F73-V330 HydrophobicContact CE1-CG1 3.96Å; F73-V330 HydrophobicContact CE1-CG2 3.7Å; F73-V330 HydrophobicContact CZ-CG1 3.96Å; F73-F331 HydrophobicContact CE1-CE1 4.48Å; F73-F331 HydrophobicContact CE2-CE1 4.4Å; F73-F331 HydrophobicContact CE2-CZ 4.23Å; F73-F331 AromaticContact CZ-CE1 3.74Å; F73-F331 HydrophobicContact CZ-CE1 3.74Å; F73-F331 AromaticContact CZ-CZ 3.68Å; F73-F331 HydrophobicContact CZ-CZ 3.68Å
74	K	98.4	Very high	97.5	Very high	187 Å²	187	66.5 Å²	66.5	81%	0.813	32%	0.315	S	S	*	.			trans	52.8	56.7	177	-53.5	176.7	-175.8	177.4	0	112.7	L71 Y72	L71-K74 PolarHBondContact O-N 2.78Å; Y72-K74 PolarHBondContact O-N 2.87Å
75	P	98.7	Very high	97.5	Very high	18 Å²	18	59.9 Å²	59.9	12%	0.117	29%	0.287	C	S	.	.			trans	-57.6	155.1	172.5	30.9	-38.2	0	0	0	110.4	S17 V27 L71 V77	S17-P75 WeakPolarHBondContact OG-CG 3.37Å; V27-P75 HydrophobicContact CB-CB 3.84Å; V27-P75 HydrophobicContact CG1-CB 3.77Å; L71-P75 HydrophobicContact CD2-CG 3.71Å; P75-V77 HydrophobicContact CG-CG2 3.95Å; P75-V77 PolarHBondContact O-N 3.31Å
76	E	98.7	Very high	97.5	Very high	57 Å²	57	56 Å²	56	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.1	166.2	-179	-175.5	141.4	0	0	108.2	K2 V27 R28 L29 H78	K2-E76 WeakPolarHBondContact CE-OE2 3.45Å; K2-E76 IonicContact NZ-OE2 3.84Å; K2-E76 PolarHBondContact NZ-OE2 3.41Å; K2-E76 VanDerWaalsContact NZ-OE2 3.16Å; V27-E76 PolarHBondContact O-N 3.17Å; R28-E76 CarbonylContact C-O 3.53Å; R28-E76 VanDerWaalsContact CA-O 3.28Å; R28-E76 WeakPolarHBondContact CA-O 3.5Å; R28-E76 HydrophobicContact CB-CB 4.48Å; R28-E76 IonicContact CZ-OE1 3.96Å; R28-E76 VanDerWaalsContact CZ-OE1 3.26Å; R28-E76 IonicContact CZ-OE2 3.62Å; R28-E76 IonicContact NE-OE1 2.68Å; R28-E76 PolarHBondContact NE-OE1 2.8Å; R28-E76 IonicContact NE-OE2 2.64Å; R28-E76 IonicContact NH2-OE1 3.78Å; R28-E76 PolarHBondContact NH2-OE1 2.95Å; R28-E76 IonicContact NH2-OE2 3.4Å; R28-E76 PolarHBondContact NH2-OE2 2.63Å; L29-E76 PolarHBondContact N-O 2.8Å; E76-H78 IonicContact OE1-CD2 3.24Å; E76-H78 IonicContact OE1-CE1 2.67Å; E76-H78 IonicContact OE1-NE2 3.37Å; E76-H78 PolarHBondContact OE1-NE2 3.16Å
77	V	98.8	Very high	97.5	Very high	52 Å²	52	58.2 Å²	58.2	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.9	-175	-175.7	0	0	0	0	110.1	L29 L36 L71 P75 L79	L29-V77 WeakPolarHBondContact O-CA 3.47Å; L36-V77 HydrophobicContact CD1-CG1 4.31Å; L36-V77 HydrophobicContact CD2-CG1 4.41Å; L71-V77 HydrophobicContact CD2-CG2 3.58Å; P75-V77 HydrophobicContact CG-CG2 3.95Å; P75-V77 PolarHBondContact O-N 3.31Å; V77-L79 HydrophobicContact CG1-CD1 4.46Å; V77-L79 HydrophobicContact CG1-CD2 4.09Å; V77-L79 HydrophobicContact CG1-CG 3.96Å
78	H	98.6	Very high	97.5	Very high	38 Å²	38	59.9 Å²	59.9	18%	0.176	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.1	174	-69.4	-64.8	0	0	0	109.2	L29 I30 D31 E76 E81 Y104	L29-H78 PolarHBondContact O-N 3.18Å; I30-H78 CarbonylContact C-O 3.55Å; I30-H78 WeakPolarHBondContact CA-O 3.42Å; I30-H78 HydrophobicContact CG1-CB 4.33Å; I30-H78 HydrophobicContact CG2-CB 4.31Å; D31-H78 PolarHBondContact N-O 3.27Å; E76-H78 IonicContact OE1-CD2 3.24Å; E76-H78 IonicContact OE1-CE1 2.67Å; E76-H78 IonicContact OE1-NE2 3.37Å; E76-H78 PolarHBondContact OE1-NE2 3.16Å; H78-E81 HydrophobicContact CB-CB 4.46Å; H78-E81 HydrophobicContact CB-CG 4.42Å; H78-E81 WeakPolarHBondContact CB-OE1 3.42Å; H78-E81 IonicContact CG-OE1 3.13Å; H78-E81 IonicContact CG-OE2 2.78Å; H78-E81 IonicContact ND1-OE1 3.34Å; H78-E81 PolarHBondContact ND1-OE1 3.29Å; H78-Y104 AromaticContact CD2-CZ 3.8Å; H78-Y104 AromaticContact CE1-CZ 3.99Å; H78-Y104 PolarHBondContact CE1-OH 3.12Å; H78-Y104 VanDerWaalsContact CE1-OH 3.29Å; H78-Y104 PolarHBondContact ND1-OH 3.01Å; H78-Y104 AromaticContact NE2-CE1 3.67Å; H78-Y104 AromaticContact NE2-CZ 3.68Å; H78-Y104 PolarHBondContact NE2-OH 2.87Å
79	L	97.3	Very high	97.4	Very high	56 Å²	56	57.9 Å²	57.9	29%	0.293	27%	0.271	S	S	.	.			trans	-116.6	157	-178.7	-64.4	174.4	0	0	0	109.2	D31 S34 L36 V77 E81	D31-L79 HydrophobicContact CB-CD2 3.97Å; D31-L79 CarbonylContact O-C 3.59Å; D31-L79 WeakPolarHBondContact O-CA 3.39Å; S34-L79 WeakPolarHBondContact O-CD1 3.35Å; L36-L79 HydrophobicContact CD2-CD2 3.74Å; L36-L79 HydrophobicContact CG-CD2 4Å; V77-L79 HydrophobicContact CG1-CD1 4.46Å; V77-L79 HydrophobicContact CG1-CD2 4.09Å; V77-L79 HydrophobicContact CG1-CG 3.96Å; L79-E81 PolarHBondContact O-N 3.24Å
80	N	94.9	Very high	97.4	Very high	115 Å²	115	57.3 Å²	57.3	62%	0.615	28%	0.277	S	S	*	.	S	Bend	trans	60.5	26	-170.7	-46.2	-78.8	0	0	0	113	D31 V32 Q33 S34	D31-N80 PolarHBondContact O-N 3.15Å; D31-N80 VanDerWaalsContact O-N 3.11Å; V32-N80 WeakPolarHBondContact O-CA 3.41Å; Q33-N80 PolarHBondContact O-N 3.23Å; Q33-N80 VanDerWaalsContact O-N 3.15Å; S34-N80 VanDerWaalsContact CA-OD1 3.24Å; S34-N80 WeakPolarHBondContact CA-OD1 3.48Å; S34-N80 VanDerWaalsContact CB-OD1 3.24Å; S34-N80 WeakPolarHBondContact CB-OD1 3.2Å
81	E	95.6	Very high	97.3	Very high	40 Å²	40	62.4 Å²	62.4	19%	0.187	30%	0.301	C	S	.	.			trans	-117.7	112	-178.5	-77.7	-174.4	-135.1	0	0	110.6	I30 D31 V32 H78 L79 T98 Y104	I30-E81 HydrophobicContact CG2-CB 3.73Å; I30-E81 WeakPolarHBondContact CG2-O 3.16Å; D31-E81 CarbonylContact C-O 3.55Å; D31-E81 PolarHBondContact O-N 2.94Å; V32-E81 WeakPolarHBondContact CA-O 3.45Å; V32-E81 PolarHBondContact N-O 2.94Å; H78-E81 HydrophobicContact CB-CB 4.46Å; H78-E81 HydrophobicContact CB-CG 4.42Å; H78-E81 WeakPolarHBondContact CB-OE1 3.42Å; H78-E81 IonicContact CG-OE1 3.13Å; H78-E81 IonicContact CG-OE2 2.78Å; H78-E81 IonicContact ND1-OE1 3.34Å; H78-E81 PolarHBondContact ND1-OE1 3.29Å; L79-E81 PolarHBondContact O-N 3.24Å; E81-T98 HydrophobicContact CB-CG2 4.49Å; E81-Y104 PolarHBondContact OE1-OH 3.4Å; E81-Y104 WeakPolarHBondContact OE2-CE2 3.31Å; E81-Y104 PolarHBondContact OE2-OH 3.38Å
82	R	93.7	Very high	97.3	Very high	74 Å²	74	64.1 Å²	64.1	28%	0.279	30%	0.303	S	S	.	.			trans	-86.7	119.5	175.2	-176.1	161.1	70.3	140	-1.5	109.8	V32 V84 T98 E99 I117	V32-R82 HydrophobicContact CB-CB 4.4Å; V32-R82 HydrophobicContact CG2-CB 3.78Å; V32-R82 HydrophobicContact CG2-CG 4.3Å; R82-V84 HydrophobicContact CG-CG1 4.37Å; R82-T98 CarbonylContact O-C 3.59Å; R82-T98 WeakPolarHBondContact O-CA 3.21Å; R82-T98 WeakPolarHBondContact O-CB 3.48Å; R82-E99 HydrophobicContact CB-CB 4.21Å; R82-E99 IonicContact CZ-OE1 3.94Å; R82-E99 IonicContact CZ-OE2 2.75Å; R82-E99 IonicContact NE-OE1 3.72Å; R82-E99 IonicContact NE-OE2 3.69Å; R82-E99 PolarHBondContact NE-OE2 2.97Å; R82-E99 IonicContact NH2-OE1 3.41Å; R82-E99 PolarHBondContact NH2-OE1 2.98Å; R82-E99 IonicContact NH2-OE2 2.75Å; R82-E99 PolarHBondContact NH2-OE2 3.24Å; R82-E99 VanDerWaalsContact NH2-OE2 3.13Å; R82-E99 PolarHBondContact O-N 2.87Å; R82-I117 HydrophobicContact CG-CD1 4.22Å
83	V	95.4	Very high	97.3	Very high	12 Å²	12	62.8 Å²	62.8	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.3	168	176.6	0	0	0	0	109.6	I7 I30 I86 V96 E97 L251	I7-V83 HydrophobicContact CD1-CG1 4.05Å; I7-V83 HydrophobicContact CD1-CG2 4.48Å; I7-V83 HydrophobicContact CG1-CG2 4.25Å; I7-V83 HydrophobicContact CG2-CB 3.93Å; I7-V83 HydrophobicContact CG2-CG1 4.47Å; I7-V83 HydrophobicContact CG2-CG2 3.76Å; I30-V83 HydrophobicContact CB-CG2 4.31Å; I30-V83 HydrophobicContact CD1-CG2 4.17Å; I30-V83 HydrophobicContact CG2-CG2 3.9Å; V83-I86 HydrophobicContact CG1-CG1 4.36Å; V83-V96 HydrophobicContact CB-CG1 4.23Å; V83-V96 HydrophobicContact CG1-CG1 3.48Å; V83-V96 VanDerWaalsContact CG1-CG1 3.48Å; V83-V96 HydrophobicContact CG2-CG1 3.64Å; V83-E97 WeakPolarHBondContact CA-O 3.36Å; V83-L251 HydrophobicContact CB-CD2 4.36Å; V83-L251 HydrophobicContact CG1-CD1 3.9Å; V83-L251 HydrophobicContact CG1-CD2 4.11Å
84	V	95.4	Very high	97.3	Very high	40 Å²	40	60.3 Å²	60.3	24%	0.242	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-25.2	-178.1	-63.1	0	0	0	0	113.1	R82 E97 E99	R82-V84 HydrophobicContact CG-CG1 4.37Å; V84-E97 HydrophobicContact CG2-CB 4.34Å; V84-E97 HydrophobicContact CG2-CG 4.12Å; V84-E97 PolarHBondContact N-O 3.47Å; V84-E99 HydrophobicContact CG1-CB 3.84Å
85	D	97.4	Very high	97.3	Very high	18 Å²	18	53 Å²	53	10%	0.096	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150	177.8	-165.2	15.1	0	0	0	112	R87 E97 T255 S256	D85-R87 WeakPolarHBondContact OD2-CG 3.45Å; D85-R87 IonicContact OD2-NH1 2.67Å; D85-R87 PolarHBondContact OD2-NH1 3.15Å; D85-E97 HydrophobicContact CB-CB 4.01Å; D85-E97 PolarHBondContact N-O 3.2Å; D85-E97 PolarHBondContact O-N 3.17Å; D85-T255 WeakPolarHBondContact OD1-CA 3.48Å; D85-T255 PolarHBondContact OD1-OG1 3.16Å; D85-S256 VanDerWaalsContact OD1-CB 3.28Å; D85-S256 WeakPolarHBondContact OD1-CB 3.24Å; D85-S256 PolarHBondContact OD1-N 2.89Å; D85-S256 PolarHBondContact OD1-OG 3.45Å; D85-S256 PolarHBondContact OD2-OG 2.98Å
86	I	98.1	Very high	97.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.1	169.4	-54.3	166.1	0	0	0	106.8	I7 V83 E95 V109 I111 L251 T255 S257 I280	I7-I86 HydrophobicContact CD1-CD1 3.52Å; I7-I86 HydrophobicContact CD1-CG1 3.91Å; V83-I86 HydrophobicContact CG1-CG1 4.36Å; I86-E95 CarbonylContact C-O 3.46Å; I86-E95 WeakPolarHBondContact CA-O 3.31Å; I86-V109 HydrophobicContact CD1-CG1 4.29Å; I86-V109 HydrophobicContact CG2-CG1 4.44Å; I86-V109 HydrophobicContact CG2-CG2 4.21Å; I86-I111 HydrophobicContact CD1-CD1 3.84Å; I86-I111 HydrophobicContact CD1-CG1 4.08Å; I86-L251 HydrophobicContact CD1-CD2 4.44Å; I86-L251 HydrophobicContact CG1-CD1 4.4Å; I86-T255 PolarHBondContact N-OG1 2.91Å; I86-T255 VanDerWaalsContact N-OG1 3.13Å; I86-T255 PolarHBondContact O-OG1 3.22Å; I86-T255 VanDerWaalsContact O-OG1 3.13Å; I86-S257 WeakPolarHBondContact O-CB 3.44Å; I86-S257 PolarHBondContact O-N 3.43Å; I86-S257 PolarHBondContact O-OG 2.83Å; I86-I280 HydrophobicContact CG2-CD1 4Å
87	R	98	Very high	97.3	Very high	54 Å²	54	51.9 Å²	51.9	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.5	179.6	-59	-173.5	-79.6	-109.5	-1.6	110.9	D85 K89 F94 E95 E97	D85-R87 WeakPolarHBondContact OD2-CG 3.45Å; D85-R87 IonicContact OD2-NH1 2.67Å; D85-R87 PolarHBondContact OD2-NH1 3.15Å; R87-K89 HydrophobicContact CB-CD 4.04Å; R87-K89 PolarHBondContact O-N 3.48Å; R87-F94 CarbonylContact O-C 3.57Å; R87-F94 VanDerWaalsContact O-CA 3.25Å; R87-F94 WeakPolarHBondContact O-CA 3.41Å; R87-E95 HydrophobicContact CB-CB 4.3Å; R87-E95 IonicContact CZ-OE2 3.86Å; R87-E95 PolarHBondContact N-O 3.05Å; R87-E95 IonicContact NE-OE2 2.95Å; R87-E95 PolarHBondContact NE-OE2 3.19Å; R87-E95 IonicContact NH2-OE2 3.19Å; R87-E95 PolarHBondContact NH2-OE2 3.26Å; R87-E95 VanDerWaalsContact NH2-OE2 3.16Å; R87-E95 PolarHBondContact O-N 3.23Å; R87-E97 IonicContact CZ-OE2 3.08Å; R87-E97 IonicContact NH1-OE2 3.43Å; R87-E97 PolarHBondContact NH1-OE2 3.35Å; R87-E97 IonicContact NH2-OE2 2.67Å; R87-E97 PolarHBondContact NH2-OE2 2.91Å
88	K	97.8	Very high	97.2	Very high	71 Å²	71	49.4 Å²	49.4	31%	0.309	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.4	164	-170	168.9	-177	171.9	0	109.4	E91 F94 S257 I277 P278 Y313	K88-E91 IonicContact NZ-OE2 3.06Å; K88-E91 PolarHBondContact NZ-OE2 3.09Å; K88-F94 HydrophobicContact CB-CD1 3.89Å; K88-F94 HydrophobicContact CB-CE1 3.6Å; K88-F94 HydrophobicContact CB-CZ 4.48Å; K88-F94 HydrophobicContact CD-CE1 3.69Å; K88-F94 HydrophobicContact CD-CZ 3.79Å; K88-F94 HydrophobicContact CG-CD1 4.09Å; K88-F94 HydrophobicContact CG-CE1 3.52Å; K88-F94 HydrophobicContact CG-CZ 3.91Å; K88-S257 PolarHBondContact N-OG 3.27Å; K88-I277 HydrophobicContact CD-CG2 3.79Å; K88-P278 PolarHBondContact NZ-O 3.49Å; K88-Y313 PolarHBondContact NZ-OH 2.97Å
89	K	97.7	Very high	97	Very high	114 Å²	114	53.3 Å²	53.3	50%	0.496	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-37.6	-178	-58	-64.4	-69.6	-163.9	0	112.2	R87 H93 E95	R87-K89 HydrophobicContact CB-CD 4.04Å; R87-K89 PolarHBondContact O-N 3.48Å; K89-H93 PolarHBondContact N-O 3.14Å; K89-E95 HydrophobicContact CD-CG 4.3Å; K89-E95 WeakPolarHBondContact CE-OE1 3.46Å; K89-E95 HydrophobicContact CG-CB 4.38Å; K89-E95 HydrophobicContact CG-CG 3.79Å; K89-E95 IonicContact NZ-OE1 2.88Å; K89-E95 IonicContact NZ-OE2 2.67Å
90	A	97.4	Very high	96.9	Very high	52 Å²	52	54.8 Å²	54.8	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-178.6	174.6	0	0	0	0	0	109.5	R92 H93	A90-R92 PolarHBondContact O-N 3.01Å; A90-H93 HydrophobicContact CB-CB 4.02Å; A90-H93 PolarHBondContact N-O 2.9Å; A90-H93 PolarHBondContact O-N 3.4Å; A90-H93 VanDerWaalsContact O-N 3.13Å
91	E	96.7	Very high	97	Very high	108 Å²	108	51.6 Å²	51.6	51%	0.505	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	126.5	171.6	-175	58.4	-167.7	0	0	110.2	K88 H93 Y313	K88-E91 IonicContact NZ-OE2 3.06Å; K88-E91 PolarHBondContact NZ-OE2 3.09Å; E91-H93 PolarHBondContact O-N 2.65Å; E91-Y313 WeakPolarHBondContact OE1-CE2 3.46Å; E91-Y313 VanDerWaalsContact OE1-CZ 3.23Å; E91-Y313 PolarHBondContact OE1-OH 2.63Å; E91-Y313 PolarHBondContact OE2-OH 3.42Å
92	R	97.6	Very high	97.1	Very high	94 Å²	94	54.8 Å²	54.8	36%	0.355	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.2	-173.4	-54.8	172.4	-149.3	165.7	16.5	114	A90 K107 Y313 I314	A90-R92 PolarHBondContact O-N 3.01Å; R92-K107 WeakPolarHBondContact CA-O 3.32Å; R92-K107 HydrophobicContact CB-CB 4.16Å; R92-K107 WeakPolarHBondContact O-CA 3.39Å; R92-Y313 HydrophobicContact CB-CE1 4.32Å; R92-Y313 HydrophobicContact CG-CD1 4.18Å; R92-Y313 HydrophobicContact CG-CE1 3.63Å; R92-Y313 PolarHBondContact N-OH 3Å; R92-Y313 VanDerWaalsContact N-OH 3.09Å; R92-Y313 PolarHBondContact NE-O 2.85Å; R92-Y313 VanDerWaalsContact NE-O 3.12Å; R92-I314 PolarHBondContact NH1-O 3.06Å; R92-I314 VanDerWaalsContact NH1-O 3.17Å
93	H	98.4	Very high	97.4	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.296	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	103.1	173	-169.5	167.6	0	0	0	109.9	M1 K89 A90 E91	M1-H93 HydrophobicContact CE-CB 4.31Å; M1-H93 WeakPolarHBondContact CE-CD2 3.4Å; M1-H93 WeakPolarHBondContact CE-NE2 3.48Å; K89-H93 PolarHBondContact N-O 3.14Å; A90-H93 HydrophobicContact CB-CB 4.02Å; A90-H93 PolarHBondContact N-O 2.9Å; A90-H93 PolarHBondContact O-N 3.4Å; A90-H93 VanDerWaalsContact O-N 3.13Å; E91-H93 PolarHBondContact O-N 2.65Å
94	F	98.7	Very high	97.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.2	174.6	-61	-92.2	0	0	0	110.6	R87 K88 T105 S106 K107 V109 I277 P278 I280 Y313	R87-F94 CarbonylContact O-C 3.57Å; R87-F94 VanDerWaalsContact O-CA 3.25Å; R87-F94 WeakPolarHBondContact O-CA 3.41Å; K88-F94 HydrophobicContact CB-CD1 3.89Å; K88-F94 HydrophobicContact CB-CE1 3.6Å; K88-F94 HydrophobicContact CB-CZ 4.48Å; K88-F94 HydrophobicContact CD-CE1 3.69Å; K88-F94 HydrophobicContact CD-CZ 3.79Å; K88-F94 HydrophobicContact CG-CD1 4.09Å; K88-F94 HydrophobicContact CG-CE1 3.52Å; K88-F94 HydrophobicContact CG-CZ 3.91Å; F94-T105 WeakPolarHBondContact O-CA 3.47Å; F94-S106 PolarHBondContact N-O 3.15Å; F94-S106 PolarHBondContact O-N 2.92Å; F94-K107 VanDerWaalsContact CD2-O 3.29Å; F94-K107 WeakPolarHBondContact CD2-O 3.15Å; F94-K107 WeakPolarHBondContact CE2-O 3.36Å; F94-V109 HydrophobicContact CB-CG2 3.73Å; F94-V109 HydrophobicContact CD1-CG2 4.26Å; F94-V109 HydrophobicContact CD2-CG2 4.49Å; F94-V109 HydrophobicContact CG-CG2 3.91Å; F94-I277 HydrophobicContact CE1-CG2 4.45Å; F94-P278 WeakPolarHBondContact CZ-O 3.45Å; F94-I280 HydrophobicContact CD1-CD1 4.16Å; F94-I280 HydrophobicContact CD1-CG1 4.04Å; F94-I280 HydrophobicContact CE1-CD1 3.79Å; F94-I280 HydrophobicContact CE1-CG1 3.44Å; F94-I280 VanDerWaalsContact CE1-CG1 3.44Å; F94-I280 HydrophobicContact CZ-CG1 4.06Å; F94-Y313 AromaticContact CE2-CE1 3.99Å; F94-Y313 HydrophobicContact CE2-CE1 3.99Å
95	E	98.7	Very high	97.7	Very high	33 Å²	33	56 Å²	56	15%	0.154	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	165.9	-72.3	170.2	-171	0	0	108.5	I86 R87 K89 I103 Y104 T105	I86-E95 CarbonylContact C-O 3.46Å; I86-E95 WeakPolarHBondContact CA-O 3.31Å; R87-E95 HydrophobicContact CB-CB 4.3Å; R87-E95 IonicContact CZ-OE2 3.86Å; R87-E95 PolarHBondContact N-O 3.05Å; R87-E95 IonicContact NE-OE2 2.95Å; R87-E95 PolarHBondContact NE-OE2 3.19Å; R87-E95 IonicContact NH2-OE2 3.19Å; R87-E95 PolarHBondContact NH2-OE2 3.26Å; R87-E95 VanDerWaalsContact NH2-OE2 3.16Å; R87-E95 PolarHBondContact O-N 3.23Å; K89-E95 HydrophobicContact CD-CG 4.3Å; K89-E95 WeakPolarHBondContact CE-OE1 3.46Å; K89-E95 HydrophobicContact CG-CB 4.38Å; K89-E95 HydrophobicContact CG-CG 3.79Å; K89-E95 IonicContact NZ-OE1 2.88Å; K89-E95 IonicContact NZ-OE2 2.67Å; E95-I103 HydrophobicContact CB-CG2 3.93Å; E95-I103 HydrophobicContact CG-CG2 3.87Å; E95-Y104 CarbonylContact C-O 3.54Å; E95-Y104 WeakPolarHBondContact CA-O 3.5Å; E95-T105 HydrophobicContact CG-CG2 4.32Å
96	V	98.5	Very high	97.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.3	173.4	178.1	0	0	0	0	107	T5 I7 I30 V83 Y104 V109	T5-V96 HydrophobicContact CG2-CB 4.48Å; T5-V96 HydrophobicContact CG2-CG1 4.46Å; T5-V96 HydrophobicContact CG2-CG2 4.1Å; I7-V96 HydrophobicContact CD1-CG1 4.19Å; I30-V96 HydrophobicContact CD1-CG1 4.19Å; V83-V96 HydrophobicContact CB-CG1 4.23Å; V83-V96 HydrophobicContact CG1-CG1 3.48Å; V83-V96 VanDerWaalsContact CG1-CG1 3.48Å; V83-V96 HydrophobicContact CG2-CG1 3.64Å; V96-Y104 PolarHBondContact N-O 2.67Å; V96-Y104 PolarHBondContact O-N 2.84Å; V96-V109 HydrophobicContact CG2-CG2 3.98Å
97	E	98.2	Very high	97.8	Very high	52 Å²	52	58.5 Å²	58.5	24%	0.243	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.7	-177.8	-173	170.7	148.9	0	0	110.4	V83 V84 D85 R87 E102 I103	V83-E97 WeakPolarHBondContact CA-O 3.36Å; V84-E97 HydrophobicContact CG2-CB 4.34Å; V84-E97 HydrophobicContact CG2-CG 4.12Å; V84-E97 PolarHBondContact N-O 3.47Å; D85-E97 HydrophobicContact CB-CB 4.01Å; D85-E97 PolarHBondContact N-O 3.2Å; D85-E97 PolarHBondContact O-N 3.17Å; R87-E97 IonicContact CZ-OE2 3.08Å; R87-E97 IonicContact NH1-OE2 3.43Å; R87-E97 PolarHBondContact NH1-OE2 3.35Å; R87-E97 IonicContact NH2-OE2 2.67Å; R87-E97 PolarHBondContact NH2-OE2 2.91Å; E97-E102 WeakPolarHBondContact CA-O 3.41Å; E97-I103 HydrophobicContact CG-CG1 4.35Å
98	T	97.1	Very high	97.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	161.5	174	71.7	0	0	0	0	111.9	E81 R82 A100 G101 E102 Y104	E81-T98 HydrophobicContact CB-CG2 4.49Å; R82-T98 CarbonylContact O-C 3.59Å; R82-T98 WeakPolarHBondContact O-CA 3.21Å; R82-T98 WeakPolarHBondContact O-CB 3.48Å; T98-A100 PolarHBondContact O-N 3.35Å; T98-A100 PolarHBondContact OG1-N 2.86Å; T98-G101 PolarHBondContact O-N 2.67Å; T98-E102 HydrophobicContact CG2-CB 4.31Å; T98-E102 PolarHBondContact N-O 3.37Å; T98-E102 WeakPolarHBondContact OG1-CB 3.33Å; T98-E102 PolarHBondContact OG1-N 2.95Å; T98-E102 PolarHBondContact OG1-O 2.78Å; T98-Y104 HydrophobicContact CG2-CD2 4.02Å; T98-Y104 HydrophobicContact CG2-CE2 3.66Å
99	E	94.7	Very high	97.8	Very high	119 Å²	119	52.5 Å²	52.5	56%	0.556	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.7	173.9	177.5	168.3	-144.8	0	0	113.2	R82 V84 G101	R82-E99 HydrophobicContact CB-CB 4.21Å; R82-E99 IonicContact CZ-OE1 3.94Å; R82-E99 IonicContact CZ-OE2 2.75Å; R82-E99 IonicContact NE-OE1 3.72Å; R82-E99 IonicContact NE-OE2 3.69Å; R82-E99 PolarHBondContact NE-OE2 2.97Å; R82-E99 IonicContact NH2-OE1 3.41Å; R82-E99 PolarHBondContact NH2-OE1 2.98Å; R82-E99 IonicContact NH2-OE2 2.75Å; R82-E99 PolarHBondContact NH2-OE2 3.24Å; R82-E99 VanDerWaalsContact NH2-OE2 3.13Å; R82-E99 PolarHBondContact O-N 2.87Å; V84-E99 HydrophobicContact CG1-CB 3.84Å; E99-G101 PolarHBondContact O-N 3.48Å
100	A	95.9	Very high	97.9	Very high	88 Å²	88	47.1 Å²	47.1	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-4.5	176.4	0	0	0	0	0	113.4	T98	T98-A100 PolarHBondContact O-N 3.35Å; T98-A100 PolarHBondContact OG1-N 2.86Å
101	G	96.9	Very high	97.9	Very high	47 Å²	47	44.6 Å²	44.6	49%	0.485	24%	0.235	S	C	.	.	S	Bend	trans	89.1	2	-177.7	0	0	0	0	0	114.6	T98 E99	T98-G101 PolarHBondContact O-N 2.67Å; E99-G101 PolarHBondContact O-N 3.48Å
102	E	97.9	Very high	97.9	Very high	107 Å²	107	39.6 Å²	39.6	50%	0.5	21%	0.212	S	C	.	.			trans	-68.6	137.6	174.4	-65.7	-61.7	148.9	0	0	111	E97 T98 Y104	E97-E102 WeakPolarHBondContact CA-O 3.41Å; T98-E102 HydrophobicContact CG2-CB 4.31Å; T98-E102 PolarHBondContact N-O 3.37Å; T98-E102 WeakPolarHBondContact OG1-CB 3.33Å; T98-E102 PolarHBondContact OG1-N 2.95Å; T98-E102 PolarHBondContact OG1-O 2.78Å; E102-Y104 HydrophobicContact CB-CE2 4.2Å
103	I	98.3	Very high	97.8	Very high	85 Å²	85	36.5 Å²	36.5	44%	0.436	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.6	179	-60.7	174.1	0	0	0	109.8	E95 E97	E95-I103 HydrophobicContact CB-CG2 3.93Å; E95-I103 HydrophobicContact CG-CG2 3.87Å; E97-I103 HydrophobicContact CG-CG1 4.35Å
104	Y	98.6	Very high	97.5	Very high	24 Å²	24	34.1 Å²	34.1	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.3	179.2	-68.3	-56.6	0	0	0	111.6	I30 H78 E81 E95 V96 T98 E102	I30-Y104 HydrophobicContact CD1-CD2 3.46Å; I30-Y104 VanDerWaalsContact CD1-CD2 3.46Å; I30-Y104 HydrophobicContact CD1-CE2 3.82Å; I30-Y104 HydrophobicContact CD1-CG 4.29Å; H78-Y104 AromaticContact CD2-CZ 3.8Å; H78-Y104 AromaticContact CE1-CZ 3.99Å; H78-Y104 PolarHBondContact CE1-OH 3.12Å; H78-Y104 VanDerWaalsContact CE1-OH 3.29Å; H78-Y104 PolarHBondContact ND1-OH 3.01Å; H78-Y104 AromaticContact NE2-CE1 3.67Å; H78-Y104 AromaticContact NE2-CZ 3.68Å; H78-Y104 PolarHBondContact NE2-OH 2.87Å; E81-Y104 PolarHBondContact OE1-OH 3.4Å; E81-Y104 WeakPolarHBondContact OE2-CE2 3.31Å; E81-Y104 PolarHBondContact OE2-OH 3.38Å; E95-Y104 CarbonylContact C-O 3.54Å; E95-Y104 WeakPolarHBondContact CA-O 3.5Å; V96-Y104 PolarHBondContact N-O 2.67Å; V96-Y104 PolarHBondContact O-N 2.84Å; T98-Y104 HydrophobicContact CG2-CD2 4.02Å; T98-Y104 HydrophobicContact CG2-CE2 3.66Å; E102-Y104 HydrophobicContact CB-CE2 4.2Å
105	T	98.6	Very high	96.7	Very high	43 Å²	43	35.7 Å²	35.7	26%	0.264	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.7	176.7	52.7	0	0	0	0	112.4	M1 K2 F94 E95	M1-T105 WeakPolarHBondContact CA-O 3.06Å; M1-T105 WeakPolarHBondContact CA-OG1 3.02Å; K2-T105 PolarHBondContact N-O 3.11Å; F94-T105 WeakPolarHBondContact O-CA 3.47Å; E95-T105 HydrophobicContact CG-CG2 4.32Å
106	S	98.7	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.8	171.2	57.8	0	0	0	0	114.2	K2 T5 F94 A108	K2-S106 CarbonylContact O-C 3.38Å; K2-S106 WeakPolarHBondContact O-CA 3.5Å; T5-S106 WeakPolarHBondContact CB-OG 3.38Å; T5-S106 WeakPolarHBondContact OG1-CB 3.39Å; T5-S106 PolarHBondContact OG1-OG 2.88Å; F94-S106 PolarHBondContact N-O 3.15Å; F94-S106 PolarHBondContact O-N 2.92Å; S106-A108 WeakPolarHBondContact CB-O 3.42Å; S106-A108 PolarHBondContact OG-O 3.39Å
107	K	98.8	Very high	93.9	Very high	72 Å²	72	36.2 Å²	36.2	31%	0.313	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-27.5	176	-58.6	178.2	-170.6	156.6	0	113.2	M1 K2 D3 R92 F94 Y313 I314	M1-K107 HydrophobicContact CG-CG 4.4Å; M1-K107 HydrophobicContact SD-CG 3.93Å; K2-K107 PolarHBondContact O-N 3.3Å; D3-K107 CarbonylContact O-C 3.48Å; D3-K107 WeakPolarHBondContact O-CA 3.38Å; D3-K107 WeakPolarHBondContact O-CB 3.19Å; D3-K107 PolarHBondContact O-N 3.49Å; D3-K107 VanDerWaalsContact O-N 3.1Å; D3-K107 WeakPolarHBondContact OD1-CE 3.35Å; D3-K107 IonicContact OD1-NZ 3.16Å; D3-K107 PolarHBondContact OD1-NZ 2.81Å; R92-K107 WeakPolarHBondContact CA-O 3.32Å; R92-K107 HydrophobicContact CB-CB 4.16Å; R92-K107 WeakPolarHBondContact O-CA 3.39Å; F94-K107 VanDerWaalsContact CD2-O 3.29Å; F94-K107 WeakPolarHBondContact CD2-O 3.15Å; F94-K107 WeakPolarHBondContact CE2-O 3.36Å; K107-Y313 WeakPolarHBondContact O-CE1 3.35Å; K107-I314 HydrophobicContact CB-CD1 4.01Å; K107-I314 HydrophobicContact CB-CG1 3.74Å; K107-I314 HydrophobicContact CB-CG2 4.39Å; K107-I314 HydrophobicContact CD-CG1 4.46Å; K107-I314 HydrophobicContact CD-CG2 3.56Å
108	A	98.8	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.2	171.7	0	0	0	0	0	110.9	D3 V4 T5 S106 G279 Y281 A310 Y313 I314	D3-A108 PolarHBondContact O-N 2.7Å; V4-A108 WeakPolarHBondContact CA-O 3.21Å; V4-A108 HydrophobicContact CG2-CB 4.41Å; T5-A108 PolarHBondContact N-O 3.42Å; T5-A108 VanDerWaalsContact N-O 3.1Å; S106-A108 WeakPolarHBondContact CB-O 3.42Å; S106-A108 PolarHBondContact OG-O 3.39Å; A108-G279 WeakPolarHBondContact CA-O 3.5Å; A108-Y281 HydrophobicContact CB-CE2 4.49Å; A108-A310 HydrophobicContact CB-CB 4.06Å; A108-Y313 HydrophobicContact CB-CD1 4.27Å; A108-I314 HydrophobicContact CB-CD1 3.87Å; A108-I314 HydrophobicContact CB-CG1 4.14Å
109	V	98.8	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.8	176.4	-179.1	0	0	0	0	110	T5 I7 I86 F94 V96 I111 G279 I280 Y281	T5-V109 CarbonylContact O-C 3.55Å; T5-V109 VanDerWaalsContact O-CA 3.32Å; T5-V109 WeakPolarHBondContact O-CA 3.24Å; I7-V109 HydrophobicContact CD1-CG1 3.68Å; I7-V109 HydrophobicContact CG1-CG1 4.32Å; I86-V109 HydrophobicContact CD1-CG1 4.29Å; I86-V109 HydrophobicContact CG2-CG1 4.44Å; I86-V109 HydrophobicContact CG2-CG2 4.21Å; F94-V109 HydrophobicContact CB-CG2 3.73Å; F94-V109 HydrophobicContact CD1-CG2 4.26Å; F94-V109 HydrophobicContact CD2-CG2 4.49Å; F94-V109 HydrophobicContact CG-CG2 3.91Å; V96-V109 HydrophobicContact CG2-CG2 3.98Å; V109-I111 HydrophobicContact CG1-CG1 4.37Å; V109-G279 PolarHBondContact N-O 2.77Å; V109-I280 HydrophobicContact CB-CG1 4.47Å; V109-I280 WeakPolarHBondContact O-CA 3.25Å; V109-Y281 PolarHBondContact O-N 3.29Å
110	I	98.8	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.3	171.4	-58.7	175.4	0	0	0	108.5	V4 T5 I6 I7 A16 Y281 C283 A306 A310	V4-I110 HydrophobicContact CG2-CD1 3.78Å; V4-I110 HydrophobicContact CG2-CG1 3.76Å; T5-I110 PolarHBondContact O-N 2.84Å; I6-I110 CarbonylContact C-O 3.51Å; I6-I110 WeakPolarHBondContact CA-O 3.45Å; I6-I110 HydrophobicContact CG1-CB 4.21Å; I6-I110 HydrophobicContact CG1-CD1 4.36Å; I6-I110 HydrophobicContact CG2-CB 4.46Å; I7-I110 PolarHBondContact N-O 2.75Å; A16-I110 HydrophobicContact CB-CD1 4.24Å; A16-I110 HydrophobicContact CB-CG2 4.42Å; I110-Y281 CarbonylContact C-O 3.49Å; I110-Y281 WeakPolarHBondContact CA-O 3.37Å; I110-Y281 HydrophobicContact CG1-CD2 4.38Å; I110-C283 WeakPolarHBondContact CG2-SG 3.38Å; I110-A306 HydrophobicContact CD1-CB 3.97Å; I110-A306 HydrophobicContact CG1-CB 4.26Å; I110-A306 HydrophobicContact CG2-CB 3.96Å; I110-A310 HydrophobicContact CD1-CB 4.46Å
111	I	97.7	Very high	90.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114	177	-56.1	175.8	0	0	0	108.5	I86 V109 I113 L252 L259 I280 Y281 A282 C283 I286	I86-I111 HydrophobicContact CD1-CD1 3.84Å; I86-I111 HydrophobicContact CD1-CG1 4.08Å; V109-I111 HydrophobicContact CG1-CG1 4.37Å; I111-I113 HydrophobicContact CG2-CD1 3.78Å; I111-I113 HydrophobicContact CG2-CG1 3.82Å; I111-I113 HydrophobicContact CG2-CG2 4.26Å; I111-L252 HydrophobicContact CD1-CD2 4.09Å; I111-L252 HydrophobicContact CG2-CD2 4.42Å; I111-L259 HydrophobicContact CD1-CD1 3.56Å; I111-I280 HydrophobicContact CD1-CG2 3.79Å; I111-I280 HydrophobicContact CG1-CG2 4.2Å; I111-Y281 PolarHBondContact N-O 2.67Å; I111-A282 CarbonylContact O-C 3.58Å; I111-A282 WeakPolarHBondContact O-CA 3.35Å; I111-C283 PolarHBondContact O-N 3.45Å; I111-I286 HydrophobicContact CG2-CG1 4.27Å; I111-I286 HydrophobicContact CG2-CG2 4.4Å; I111-I286 WeakPolarHBondContact O-CG2 3.28Å
112	A	97.3	Very high	89.9	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.025	19%	0.194	C	C	.	.			trans	-128	30.5	-176.2	0	0	0	0	0	112.2	I6 I7 G114	I6-A112 HydrophobicContact CG2-CB 4.18Å; I7-A112 CarbonylContact O-C 3.23Å; I7-A112 VanDerWaalsContact O-CA 3.24Å; I7-A112 WeakPolarHBondContact O-CA 3.26Å; I7-A112 WeakPolarHBondContact O-CB 3.34Å; I7-A112 PolarHBondContact O-N 2.57Å; A112-G114 PolarHBondContact O-N 3.37Å; A112-G114 VanDerWaalsContact O-N 3.13Å
113	I	94.4	Very high	89.7	Confident	28 Å²	28	32.4 Å²	32.4	14%	0.144	17%	0.173	C	C	.	.			trans	-77.4	9	-172.1	64.8	-172.6	0	0	0	114.8	I7 I111 A115 G116 N249 L251 L252 I286	I7-I113 HydrophobicContact CB-CG2 4.24Å; I7-I113 HydrophobicContact CG2-CG2 3.64Å; I7-I113 VanDerWaalsContact O-CG2 3.28Å; I7-I113 WeakPolarHBondContact O-CG2 3.39Å; I7-I113 PolarHBondContact O-N 3.2Å; I111-I113 HydrophobicContact CG2-CD1 3.78Å; I111-I113 HydrophobicContact CG2-CG1 3.82Å; I111-I113 HydrophobicContact CG2-CG2 4.26Å; I113-A115 PolarHBondContact O-N 3.3Å; I113-G116 WeakPolarHBondContact O-CA 3.25Å; I113-G116 PolarHBondContact O-N 3.05Å; I113-N249 VanDerWaalsContact CD1-ND2 3.32Å; I113-N249 WeakPolarHBondContact CD1-ND2 3.24Å; I113-N249 VanDerWaalsContact CD1-OD1 3.3Å; I113-N249 WeakPolarHBondContact CD1-OD1 3.48Å; I113-L251 HydrophobicContact CD1-CD2 4.22Å; I113-L252 HydrophobicContact CD1-CD2 4.39Å; I113-L252 HydrophobicContact CD1-CG 4.23Å; I113-I286 HydrophobicContact CD1-CD1 4.03Å; I113-I286 HydrophobicContact CD1-CG1 4.2Å; I113-I286 HydrophobicContact CG1-CB 4.3Å; I113-I286 HydrophobicContact CG1-CD1 3.74Å; I113-I286 HydrophobicContact CG1-CG1 3.75Å
114	G	91.7	Very high	89.3	Confident	14 Å²	14	36.2 Å²	36.2	14%	0.144	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-127.5	178.1	0	0	0	0	0	112.9	A112 G116 I286	A112-G114 PolarHBondContact O-N 3.37Å; A112-G114 VanDerWaalsContact O-N 3.13Å; G114-G116 VanDerWaalsContact C-N 3.29Å; G114-I286 VanDerWaalsContact O-CA 3.32Å; G114-I286 WeakPolarHBondContact O-CA 3.42Å; G114-I286 VanDerWaalsContact O-CB 3.26Å; G114-I286 WeakPolarHBondContact O-CB 3.46Å; G114-I286 VanDerWaalsContact O-CD1 3.28Å; G114-I286 WeakPolarHBondContact O-CD1 3.5Å; G114-I286 PolarHBondContact O-N 3.33Å
115	A	81.4	Confident	88.9	Confident	33 Å²	33	35.8 Å²	35.8	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	23.7	173.2	0	0	0	0	0	112.2	I113	I113-A115 PolarHBondContact O-N 3.3Å
116	G	74.4	Confident	88.3	Confident	11 Å²	11	43.7 Å²	43.7	11%	0.113	23%	0.225	C	C	.	.	S	Bend	trans	98.4	-171.2	-173.2	0	0	0	0	0	114.1	I113 G114 I118	I113-G116 WeakPolarHBondContact O-CA 3.25Å; I113-G116 PolarHBondContact O-N 3.05Å; G114-G116 VanDerWaalsContact C-N 3.29Å; G116-I118 PolarHBondContact O-N 2.93Å
117	I	64.3	Low	87.6	Confident	33 Å²	33	44.5 Å²	44.5	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	174.2	-47.5	-178.2	0	0	0	107.5	V32 R82 C248	V32-I117 HydrophobicContact CB-CD1 4.31Å; V32-I117 HydrophobicContact CG1-CB 4.4Å; V32-I117 HydrophobicContact CG1-CD1 3.94Å; V32-I117 HydrophobicContact CG1-CG1 3.86Å; V32-I117 HydrophobicContact CG1-CG2 3.89Å; V32-I117 HydrophobicContact CG2-CD1 4Å; R82-I117 HydrophobicContact CG-CD1 4.22Å; I117-C248 PolarHBondContact N-O 3.3Å; I117-C248 PolarHBondContact O-N 2.74Å
118	I	68.9	Low	87.2	Confident	19 Å²	19	41.2 Å²	41.2	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	93.1	-176.5	-64	166.6	0	0	0	107.2	K39 I42 G116 F245	K39-I118 HydrophobicContact CD-CD1 3.92Å; K39-I118 HydrophobicContact CG-CD1 3.49Å; K39-I118 VanDerWaalsContact CG-CD1 3.49Å; I42-I118 HydrophobicContact CD1-CB 4.32Å; I42-I118 HydrophobicContact CD1-CD1 4.3Å; I42-I118 HydrophobicContact CD1-CG2 3.51Å; G116-I118 PolarHBondContact O-N 2.93Å; I118-F245 HydrophobicContact CG2-CB 3.61Å; I118-F245 HydrophobicContact CG2-CD1 3.23Å; I118-F245 HydrophobicContact CG2-CD2 4.37Å; I118-F245 HydrophobicContact CG2-CE1 3.98Å; I118-F245 HydrophobicContact CG2-CG 3.48Å; I118-F245 VanDerWaalsContact CG2-CG 3.48Å
119	N	71.9	Confident	86.6	Confident	90 Å²	90	47.3 Å²	47.3	48%	0.481	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	175.5	-70.5	-29.3	0	0	0	109	K121 F245 D246	N119-K121 PolarHBondContact O-N 2.8Å; N119-F245 CarbonylContact O-C 3.5Å; N119-F245 VanDerWaalsContact O-CA 3.25Å; N119-F245 WeakPolarHBondContact O-CA 3.17Å; N119-D246 PolarHBondContact N-O 3.37Å; N119-D246 PolarHBondContact O-N 3.34Å
120	P	82.7	Confident	86.1	Confident	30 Å²	30	52.9 Å²	52.9	20%	0.195	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.6	171.7	-14.7	23.8	0	0	0	109.6	Q122 Y138 F245	P120-Q122 PolarHBondContact O-N 3.42Å; P120-Q122 VanDerWaalsContact O-N 3.08Å; P120-Q122 PolarHBondContact O-NE2 2.9Å; P120-Y138 HydrophobicContact CB-CD1 3.85Å; P120-Y138 HydrophobicContact CB-CG 3.94Å; P120-Y138 HydrophobicContact CG-CG 4.43Å; P120-F245 HydrophobicContact CB-CD1 4.21Å; P120-F245 HydrophobicContact CB-CE1 4.02Å; P120-F245 HydrophobicContact CG-CD1 4.18Å; P120-F245 HydrophobicContact CG-CE1 3.78Å
121	K	87.7	Confident	85.9	Confident	89 Å²	89	53.2 Å²	53.2	39%	0.387	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60.8	116.6	174.6	-76.6	-172.9	174.4	-179.2	0	109.1	N119 Y138 H243 G244 D246	N119-K121 PolarHBondContact O-N 2.8Å; K121-Y138 WeakPolarHBondContact O-CE1 3.28Å; K121-H243 HydrophobicContact CB-CB 3.94Å; K121-H243 WeakPolarHBondContact CD-O 3.33Å; K121-G244 PolarHBondContact N-O 2.92Å; K121-D246 WeakPolarHBondContact CE-OD1 3.39Å; K121-D246 IonicContact NZ-OD1 2.57Å
122	Q	88.9	Confident	85.4	Confident	94 Å²	94	56.8 Å²	56.8	44%	0.439	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-67	147.9	-177.5	-64.2	-63.3	-59.8	0	0	110.9	P120 D124 Y138	P120-Q122 PolarHBondContact O-N 3.42Å; P120-Q122 VanDerWaalsContact O-N 3.08Å; P120-Q122 PolarHBondContact O-NE2 2.9Å; Q122-D124 PolarHBondContact O-N 2.87Å; Q122-Y138 VanDerWaalsContact OE1-CZ 3.24Å; Q122-Y138 PolarHBondContact OE1-OH 3.35Å
123	L	92.9	Very high	84.8	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.063	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-70	119.8	171.1	-179.5	63.8	0	0	0	109.3	V125 V128 Y138 I206 L209 I241	L123-V125 HydrophobicContact CD1-CG2 4.17Å; L123-V125 HydrophobicContact CD2-CB 4.28Å; L123-V125 HydrophobicContact CD2-CG2 4.06Å; L123-V125 HydrophobicContact CG-CB 4.13Å; L123-V125 HydrophobicContact CG-CG2 3.81Å; L123-V125 PolarHBondContact O-N 2.92Å; L123-V128 HydrophobicContact CB-CG1 4.15Å; L123-V128 HydrophobicContact CD2-CG1 3.91Å; L123-V128 HydrophobicContact CG-CG1 4.16Å; L123-Y138 PolarHBondContact N-OH 2.88Å; L123-I206 HydrophobicContact CD1-CB 4.28Å; L123-I206 HydrophobicContact CD2-CD1 4.33Å; L123-I206 HydrophobicContact CD2-CG2 4.04Å; L123-L209 HydrophobicContact CD2-CD1 4.11Å; L123-L209 HydrophobicContact CD2-CD2 4.48Å; L123-L209 HydrophobicContact CD2-CG 4.39Å; L123-I241 HydrophobicContact CB-CD1 4.28Å; L123-I241 HydrophobicContact CB-CG1 4.2Å; L123-I241 HydrophobicContact CB-CG2 4.44Å; L123-I241 HydrophobicContact CD1-CD1 4.23Å; L123-I241 HydrophobicContact CD2-CD1 3.91Å; L123-I241 HydrophobicContact CD2-CG1 4.5Å; L123-I241 HydrophobicContact CG-CD1 4.35Å
124	D	90.7	Very high	84.7	Confident	165 Å²	165	64.8 Å²	64.8	88%	0.882	33%	0.329	S	S	*	.			trans	-77.7	68.8	178.2	-174.9	23	0	0	0	111.4	Q122	Q122-D124 PolarHBondContact O-N 2.87Å
125	V	90	Very high	84.9	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.097	32%	0.324	C	S	.	.	S	Bend	trans	-136	136.5	175.1	174.5	0	0	0	0	107.4	L123 G127 V128 I206	L123-V125 HydrophobicContact CD1-CG2 4.17Å; L123-V125 HydrophobicContact CD2-CB 4.28Å; L123-V125 HydrophobicContact CD2-CG2 4.06Å; L123-V125 HydrophobicContact CG-CB 4.13Å; L123-V125 HydrophobicContact CG-CG2 3.81Å; L123-V125 PolarHBondContact O-N 2.92Å; V125-G127 PolarHBondContact O-N 2.95Å; V125-V128 HydrophobicContact CB-CG1 3.73Å; V125-V128 HydrophobicContact CG1-CG1 4.27Å; V125-V128 WeakPolarHBondContact O-CG1 3.44Å; V125-I206 HydrophobicContact CG2-CG2 4.41Å
126	K	85.7	Confident	85.7	Confident	209 Å²	209	62.8 Å²	62.8	91%	0.909	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	134	-179.9	-75.5	-172	175.5	-175.1	0	111.3
127	G	83.6	Confident	86.7	Confident	16 Å²	16	63.7 Å²	63.7	17%	0.165	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	16.2	170.9	0	0	0	0	0	114.7	V125 E129 R130	V125-G127 PolarHBondContact O-N 2.95Å; G127-E129 VanDerWaalsContact C-OE2 3.27Å; G127-E129 VanDerWaalsContact CA-OE2 3.27Å; G127-E129 WeakPolarHBondContact CA-OE2 3.48Å; G127-E129 PolarHBondContact O-N 2.74Å; G127-R130 VanDerWaalsContact O-CG 3.27Å; G127-R130 WeakPolarHBondContact O-CG 3.14Å; G127-R130 PolarHBondContact O-NE 3.18Å
128	V	89.8	Confident	88	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.024	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-60.9	-26.8	176.5	-71	0	0	0	0	112.8	L123 V125 R130 Y131 L136 L209	L123-V128 HydrophobicContact CB-CG1 4.15Å; L123-V128 HydrophobicContact CD2-CG1 3.91Å; L123-V128 HydrophobicContact CG-CG1 4.16Å; V125-V128 HydrophobicContact CB-CG1 3.73Å; V125-V128 HydrophobicContact CG1-CG1 4.27Å; V125-V128 WeakPolarHBondContact O-CG1 3.44Å; V128-R130 PolarHBondContact O-N 2.67Å; V128-Y131 PolarHBondContact O-N 3.31Å; V128-Y131 VanDerWaalsContact O-N 3.11Å; V128-L136 HydrophobicContact CB-CD2 3.92Å; V128-L136 HydrophobicContact CG1-CD2 4.39Å; V128-L209 HydrophobicContact CG1-CD1 3.84Å
129	E	86.8	Confident	89	Confident	128 Å²	128	63.2 Å²	63.2	60%	0.598	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.9	-34.1	-175.2	-57.2	81.2	-174.4	0	0	111.6	G127 Y131 Q132	G127-E129 VanDerWaalsContact C-OE2 3.27Å; G127-E129 VanDerWaalsContact CA-OE2 3.27Å; G127-E129 WeakPolarHBondContact CA-OE2 3.48Å; G127-E129 PolarHBondContact O-N 2.74Å; E129-Y131 PolarHBondContact O-N 3.45Å; E129-Q132 PolarHBondContact O-N 3.08Å
130	R	88.8	Confident	90	Very high	116 Å²	116	59 Å²	59	44%	0.438	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.2	-26.6	-178.6	82.2	-171.9	76.3	-166.9	-4.9	113.7	G127 V128 E215	G127-R130 VanDerWaalsContact O-CG 3.27Å; G127-R130 WeakPolarHBondContact O-CG 3.14Å; G127-R130 PolarHBondContact O-NE 3.18Å; V128-R130 PolarHBondContact O-N 2.67Å; R130-E215 WeakPolarHBondContact CD-O 3.28Å; R130-E215 IonicContact CZ-OE2 2.9Å; R130-E215 IonicContact NH1-OE2 2.74Å; R130-E215 PolarHBondContact NH1-OE2 3.07Å
131	Y	93.5	Very high	90.1	Very high	8 Å²	8	62.8 Å²	62.8	3%	0.031	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-97.7	-8.4	-174.5	-53.1	-61.5	0	0	0	113.4	V128 E129 L133 T134 N135 L136 L209 G211 E215 I218	V128-Y131 PolarHBondContact O-N 3.31Å; V128-Y131 VanDerWaalsContact O-N 3.11Å; E129-Y131 PolarHBondContact O-N 3.45Å; Y131-L133 PolarHBondContact O-N 3.27Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.47Å; Y131-T134 PolarHBondContact O-OG1 2.89Å; Y131-T134 VanDerWaalsContact O-OG1 3.11Å; Y131-N135 PolarHBondContact O-N 3.23Å; Y131-L136 WeakPolarHBondContact O-CB 3.45Å; Y131-L136 PolarHBondContact O-N 3.12Å; Y131-L209 HydrophobicContact CD2-CB 4.36Å; Y131-L209 HydrophobicContact CD2-CD1 3.74Å; Y131-L209 HydrophobicContact CE2-CB 3.87Å; Y131-L209 HydrophobicContact CE2-CD1 4.07Å; Y131-G211 WeakPolarHBondContact OH-CA 3.42Å; Y131-G211 PolarHBondContact OH-N 2.89Å; Y131-E215 WeakPolarHBondContact CE1-O 3.49Å; Y131-I218 HydrophobicContact CD1-CG1 3.79Å; Y131-I218 HydrophobicContact CD2-CD1 4.28Å; Y131-I218 HydrophobicContact CD2-CG1 3.79Å; Y131-I218 HydrophobicContact CE1-CG1 4.21Å; Y131-I218 HydrophobicContact CE2-CG1 4.21Å; Y131-I218 HydrophobicContact CG-CD1 4.13Å; Y131-I218 HydrophobicContact CG-CG1 3.55Å
132	Q	88.5	Confident	90.2	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.6	-174.2	-62	-170.4	8.4	0	0	113.4	E129 L136 Y138	E129-Q132 PolarHBondContact O-N 3.08Å; Q132-L136 HydrophobicContact CG-CD2 4.25Å; Q132-Y138 HydrophobicContact CG-CE2 4.15Å
133	L	85.3	Confident	90.4	Very high	170 Å²	170	59.1 Å²	59.1	89%	0.89	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.8	176.1	-63	177.8	0	0	0	113.1	Y131	Y131-L133 PolarHBondContact O-N 3.27Å
134	T	92.3	Very high	90.4	Very high	28 Å²	28	68.6 Å²	68.6	17%	0.172	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-86.7	-174.6	56.2	0	0	0	0	111.5	Y131 R145 T216	Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.47Å; Y131-T134 PolarHBondContact O-OG1 2.89Å; Y131-T134 VanDerWaalsContact O-OG1 3.11Å; T134-R145 PolarHBondContact O-NH2 3.19Å; T134-T216 WeakPolarHBondContact CB-O 3.35Å; T134-T216 WeakPolarHBondContact CG2-O 3.36Å; T134-T216 PolarHBondContact OG1-O 3.32Å
135	N	95.9	Very high	90.6	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	15.5	-172.6	71.4	-21.4	0	0	0	114.9	Y131 I218 D237 V239	Y131-N135 PolarHBondContact O-N 3.23Å; N135-I218 PolarHBondContact ND2-N 3.43Å; N135-I218 PolarHBondContact ND2-O 3.27Å; N135-I218 WeakPolarHBondContact OD1-CG1 3.49Å; N135-I218 PolarHBondContact OD1-N 3.18Å; N135-D237 WeakPolarHBondContact CB-O 3.39Å; N135-D237 PolarHBondContact ND2-O 3.27Å; N135-V239 PolarHBondContact O-N 2.86Å
136	L	96.3	Very high	90.9	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.3	165.6	-175.2	64	0	0	0	110.4	V128 Y131 Q132 Y138 L209 I218 V239 I241	V128-L136 HydrophobicContact CB-CD2 3.92Å; V128-L136 HydrophobicContact CG1-CD2 4.39Å; Y131-L136 WeakPolarHBondContact O-CB 3.45Å; Y131-L136 PolarHBondContact O-N 3.12Å; Q132-L136 HydrophobicContact CG-CD2 4.25Å; L136-Y138 HydrophobicContact CD2-CE2 4.36Å; L136-Y138 HydrophobicContact CG-CE2 4.47Å; L136-L209 HydrophobicContact CD2-CD1 4.35Å; L136-I218 HydrophobicContact CB-CD1 3.95Å; L136-I218 HydrophobicContact CD1-CD1 4.17Å; L136-V239 CarbonylContact C-O 3.46Å; L136-V239 WeakPolarHBondContact CA-O 3.42Å; L136-V239 HydrophobicContact CD1-CB 3.94Å; L136-V239 HydrophobicContact CD1-CG1 3.78Å; L136-I241 HydrophobicContact CD1-CD1 4.07Å; L136-I241 HydrophobicContact CD1-CG1 3.66Å
137	H	95.3	Very high	91.5	Very high	29 Å²	29	61.8 Å²	61.8	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135	-174.6	-50.4	-77.7	0	0	0	111.3	R145 F146 D238 V239 I240 I241	H137-R145 PolarHBondContact CE1-NE 3.45Å; H137-R145 PolarHBondContact NE2-NE 2.99Å; H137-F146 AromaticContact CD2-CE1 3.99Å; H137-D238 IonicContact CD2-OD1 2.84Å; H137-D238 IonicContact CE1-OD1 3.99Å; H137-D238 IonicContact NE2-OD1 3.72Å; H137-D238 PolarHBondContact NE2-OD1 2.94Å; H137-V239 PolarHBondContact N-O 3.29Å; H137-I240 HydrophobicContact CB-CG1 4.27Å; H137-I240 CarbonylContact O-C 3.55Å; H137-I240 VanDerWaalsContact O-CA 3.29Å; H137-I240 WeakPolarHBondContact O-CA 3.28Å; H137-I241 PolarHBondContact O-N 3.44Å
138	Y	93.3	Very high	92.1	Very high	21 Å²	21	66.3 Å²	66.3	8%	0.082	30%	0.304	C	S	.	.	S	Bend	trans	-102.7	-14.8	169.1	-70.4	-80.5	0	0	0	113	P120 K121 Q122 L123 Q132 L136 I241	P120-Y138 HydrophobicContact CB-CD1 3.85Å; P120-Y138 HydrophobicContact CB-CG 3.94Å; P120-Y138 HydrophobicContact CG-CG 4.43Å; K121-Y138 WeakPolarHBondContact O-CE1 3.28Å; Q122-Y138 VanDerWaalsContact OE1-CZ 3.24Å; Q122-Y138 PolarHBondContact OE1-OH 3.35Å; L123-Y138 PolarHBondContact N-OH 2.88Å; Q132-Y138 HydrophobicContact CG-CE2 4.15Å; L136-Y138 HydrophobicContact CD2-CE2 4.36Å; L136-Y138 HydrophobicContact CG-CE2 4.47Å; Y138-I241 HydrophobicContact CD1-CB 3.66Å; Y138-I241 HydrophobicContact CD1-CG1 4.39Å; Y138-I241 HydrophobicContact CD1-CG2 3.97Å; Y138-I241 HydrophobicContact CE1-CB 3.59Å; Y138-I241 HydrophobicContact CE1-CG1 3.97Å; Y138-I241 HydrophobicContact CE1-CG2 3.66Å
139	V	90.1	Very high	92.5	Very high	22 Å²	22	69.7 Å²	69.7	13%	0.133	32%	0.319	C	S	.	.	S	Bend	trans	-141.8	140.7	175.8	179.7	0	0	0	0	108.5	R41 I42 P44 Q141	R41-V139 WeakPolarHBondContact O-CG1 3.25Å; I42-V139 VanDerWaalsContact O-CG1 3.31Å; I42-V139 WeakPolarHBondContact O-CG1 3.17Å; P44-V139 HydrophobicContact CG-CG1 4.31Å; V139-Q141 PolarHBondContact O-N 2.72Å
140	V	91.2	Very high	93.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.298	C	S	.	.			trans	-84.5	105.4	175.4	170.3	0	0	0	0	110	P44 E45 Y143 F146 W163 I167 I240	P44-V140 WeakPolarHBondContact CG-O 3.45Å; E45-V140 HydrophobicContact CG-CG1 4.2Å; V140-Y143 HydrophobicContact CG1-CD1 3.73Å; V140-Y143 HydrophobicContact CG1-CE1 3.74Å; V140-F146 HydrophobicContact CB-CE2 4.4Å; V140-F146 HydrophobicContact CG1-CE2 3.75Å; V140-F146 HydrophobicContact CG2-CE2 4.01Å; V140-F146 HydrophobicContact CG2-CZ 4.3Å; V140-W163 HydrophobicContact CB-CD2 4.37Å; V140-W163 HydrophobicContact CB-CZ2 4.3Å; V140-W163 HydrophobicContact CG2-CD2 3.64Å; V140-W163 HydrophobicContact CG2-CE3 4.14Å; V140-W163 HydrophobicContact CG2-CG 3.83Å; V140-W163 HydrophobicContact CG2-CZ2 4.19Å; V140-I167 HydrophobicContact CG2-CD1 4.27Å; V140-I240 HydrophobicContact CG2-CD1 3.88Å; V140-I240 HydrophobicContact CG2-CG2 4.41Å
141	Q	86	Confident	93.5	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	28%	0.277	S	S	.	.	S	Bend	trans	-74.3	-37.8	178	-66.2	-64.6	-29	0	0	112.9	V139	V139-Q141 PolarHBondContact O-N 2.72Å
142	S	89	Confident	93.7	Very high	58 Å²	58	59.2 Å²	59.2	41%	0.406	28%	0.276	S	S	.	.			trans	-158.6	136	-179.2	-179.3	0	0	0	0	110.1	R144	S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.13Å; S142-R144 PolarHBondContact OG-N 3.49Å
143	Y	92.5	Very high	94.2	Very high	49 Å²	49	55.6 Å²	55.6	19%	0.192	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.9	-31.4	174.8	-63.6	-46.7	0	0	0	112.8	E45 K46 V140 R145 F146 D166 I167 I170	E45-Y143 HydrophobicContact CB-CE2 4.29Å; E45-Y143 HydrophobicContact CG-CD2 4.47Å; E45-Y143 HydrophobicContact CG-CE1 3.86Å; E45-Y143 HydrophobicContact CG-CE2 3.78Å; E45-Y143 VanDerWaalsContact CG-CZ 3.43Å; K46-Y143 WeakPolarHBondContact CE-OH 3.46Å; K46-Y143 PolarHBondContact NZ-OH 3.16Å; K46-Y143 VanDerWaalsContact NZ-OH 3.09Å; V140-Y143 HydrophobicContact CG1-CD1 3.73Å; V140-Y143 HydrophobicContact CG1-CE1 3.74Å; Y143-R145 PolarHBondContact O-N 3.1Å; Y143-F146 PolarHBondContact O-N 2.8Å; Y143-D166 HydrophobicContact CD1-CB 4.43Å; Y143-D166 HydrophobicContact CE1-CB 3.77Å; Y143-D166 HydrophobicContact CE2-CB 3.92Å; Y143-D166 VanDerWaalsContact CZ-CB 3.45Å; Y143-D166 WeakPolarHBondContact OH-CB 3.34Å; Y143-D166 PolarHBondContact OH-OD2 3.44Å; Y143-I167 HydrophobicContact CD1-CG1 3.9Å; Y143-I167 HydrophobicContact CE1-CG1 4.21Å; Y143-I170 WeakPolarHBondContact O-CD1 3.29Å
144	R	93.4	Very high	94.8	Very high	211 Å²	211	47.9 Å²	47.9	80%	0.796	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-53.8	-31.1	-176.5	-177.1	177.4	176.9	-178.6	-0	113.1	S142 F146 K147	S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.13Å; S142-R144 PolarHBondContact OG-N 3.49Å; R144-F146 PolarHBondContact O-N 3.16Å; R144-K147 WeakPolarHBondContact O-CB 3.46Å; R144-K147 PolarHBondContact O-N 3.29Å
145	R	94.3	Very high	94.9	Very high	118 Å²	118	46.9 Å²	46.9	45%	0.445	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.3	-36.3	177.7	179.2	177	175.1	96.7	7.2	112.7	T134 H137 Y143 K147 D238	T134-R145 PolarHBondContact O-NH2 3.19Å; H137-R145 PolarHBondContact CE1-NE 3.45Å; H137-R145 PolarHBondContact NE2-NE 2.99Å; Y143-R145 PolarHBondContact O-N 3.1Å; R145-K147 VanDerWaalsContact C-N 3.3Å; R145-K147 PolarHBondContact O-N 3.4Å; R145-D238 IonicContact CZ-OD1 3.91Å; R145-D238 VanDerWaalsContact CZ-OD1 3.3Å; R145-D238 IonicContact NE-OD1 3.3Å; R145-D238 PolarHBondContact NE-OD1 3.28Å; R145-D238 IonicContact NE-OD2 2.63Å; R145-D238 IonicContact NH2-OD1 2.83Å; R145-D238 PolarHBondContact NH2-OD1 2.82Å
146	F	97.2	Very high	94.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-90.1	5.4	-172.6	-53.8	-61.1	0	0	0	113.4	H137 V140 Y143 R144 D148 K149 V151 I167 A171 D238 I240	H137-F146 AromaticContact CD2-CE1 3.99Å; V140-F146 HydrophobicContact CB-CE2 4.4Å; V140-F146 HydrophobicContact CG1-CE2 3.75Å; V140-F146 HydrophobicContact CG2-CE2 4.01Å; V140-F146 HydrophobicContact CG2-CZ 4.3Å; Y143-F146 PolarHBondContact O-N 2.8Å; R144-F146 PolarHBondContact O-N 3.16Å; F146-D148 PolarHBondContact O-N 2.87Å; F146-K149 PolarHBondContact O-N 2.9Å; F146-V151 HydrophobicContact CB-CG2 4.04Å; F146-V151 HydrophobicContact CD1-CG1 4.41Å; F146-V151 HydrophobicContact CD1-CG2 3.99Å; F146-V151 HydrophobicContact CG-CG2 4.34Å; F146-I167 HydrophobicContact CB-CG2 3.74Å; F146-I167 HydrophobicContact CD2-CD1 3.67Å; F146-I167 HydrophobicContact CD2-CG1 3.84Å; F146-I167 HydrophobicContact CD2-CG2 4.46Å; F146-I167 HydrophobicContact CE2-CD1 3.85Å; F146-I167 HydrophobicContact CE2-CG1 4.43Å; F146-I167 HydrophobicContact CG-CD1 4.21Å; F146-I167 HydrophobicContact CG-CG1 4.4Å; F146-I167 HydrophobicContact CG-CG2 4.19Å; F146-A171 VanDerWaalsContact O-CA 3.28Å; F146-A171 WeakPolarHBondContact O-CA 3.09Å; F146-A171 WeakPolarHBondContact O-CB 3.44Å; F146-D238 HydrophobicContact CD1-CB 3.95Å; F146-D238 HydrophobicContact CE1-CB 3.82Å; F146-I240 HydrophobicContact CE1-CD1 4.02Å; F146-I240 HydrophobicContact CE1-CG1 4.29Å; F146-I240 HydrophobicContact CE2-CD1 4.18Å; F146-I240 HydrophobicContact CZ-CD1 3.75Å; F146-I240 HydrophobicContact CZ-CG1 4.2Å
147	K	97.4	Very high	94.4	Very high	126 Å²	126	48.4 Å²	48.4	55%	0.548	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	130.6	-179.2	-171.6	-175.2	172.5	-177.8	0	110.7	R144 R145 K149 I170	R144-K147 WeakPolarHBondContact O-CB 3.46Å; R144-K147 PolarHBondContact O-N 3.29Å; R145-K147 VanDerWaalsContact C-N 3.3Å; R145-K147 PolarHBondContact O-N 3.4Å; K147-K149 PolarHBondContact O-N 3.43Å; K147-I170 CarbonylContact C-O 3.55Å; K147-I170 WeakPolarHBondContact CA-O 3.5Å
148	D	97.7	Very high	94	Very high	111 Å²	111	51.3 Å²	51.3	59%	0.594	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	22.8	179.6	-52.8	-48.6	0	0	0	114	F146 I170	F146-D148 PolarHBondContact O-N 2.87Å; D148-I170 PolarHBondContact N-O 2.67Å
149	K	98	Very high	93.9	Very high	75 Å²	75	53.2 Å²	53.2	33%	0.326	26%	0.262	S	S	.	.			trans	-105.7	153.2	-178.9	-65.5	-45	-148.7	154.4	0	113.8	F146 K147 V151 A171 K172 S173 D237	F146-K149 PolarHBondContact O-N 2.9Å; K147-K149 PolarHBondContact O-N 3.43Å; K149-V151 HydrophobicContact CB-CG2 4.08Å; K149-A171 WeakPolarHBondContact O-CB 3.38Å; K149-K172 WeakPolarHBondContact O-CB 3.4Å; K149-K172 PolarHBondContact O-N 3.1Å; K149-S173 PolarHBondContact O-N 3.5Å; K149-D237 HydrophobicContact CB-CB 3.88Å; K149-D237 HydrophobicContact CD-CB 3.86Å; K149-D237 HydrophobicContact CG-CB 4.12Å; K149-D237 IonicContact NZ-OD1 2.81Å; K149-D237 PolarHBondContact NZ-OD1 3.06Å
150	D	98.1	Very high	94	Very high	32 Å²	32	52.2 Å²	52.2	17%	0.171	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.9	167.7	-68.9	-49.7	0	0	0	109.3	K172 S173 F236 D237 D238	D150-K172 IonicContact OD1-NZ 3.7Å; D150-K172 IonicContact OD2-NZ 2.75Å; D150-K172 PolarHBondContact OD2-NZ 2.91Å; D150-S173 WeakPolarHBondContact OD1-CB 3.08Å; D150-S173 PolarHBondContact OD1-OG 3.01Å; D150-F236 HydrophobicContact CB-CD1 4.49Å; D150-D237 PolarHBondContact N-OD2 3.44Å; D150-D237 PolarHBondContact O-N 3.08Å; D150-D238 PolarHBondContact O-N 3.33Å
151	V	98.4	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.8	-169.6	-175.5	0	0	0	0	111.8	F146 K149 I153 I167 A171 S173 V174 T175 I240	F146-V151 HydrophobicContact CB-CG2 4.04Å; F146-V151 HydrophobicContact CD1-CG1 4.41Å; F146-V151 HydrophobicContact CD1-CG2 3.99Å; F146-V151 HydrophobicContact CG-CG2 4.34Å; K149-V151 HydrophobicContact CB-CG2 4.08Å; V151-I153 HydrophobicContact CG1-CG1 4.26Å; V151-I167 HydrophobicContact CB-CG2 4.39Å; V151-I167 HydrophobicContact CG1-CG2 4.43Å; V151-I167 HydrophobicContact CG2-CG2 4.11Å; V151-A171 HydrophobicContact CG2-CB 4.23Å; V151-S173 PolarHBondContact N-O 3.15Å; V151-V174 WeakPolarHBondContact O-CA 3.28Å; V151-T175 PolarHBondContact O-N 2.84Å; V151-I240 HydrophobicContact CG1-CD1 3.93Å; V151-I240 HydrophobicContact CG1-CG1 4.34Å
152	L	98.4	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.1	169.7	178.8	65.2	0	0	0	110.6	T175 V177 I206 V221 L223 F236 D238 V239 I240	L152-T175 CarbonylContact C-O 3.2Å; L152-T175 WeakPolarHBondContact CA-O 3.35Å; L152-T175 HydrophobicContact CD1-CG2 4Å; L152-V177 HydrophobicContact CD1-CB 4.49Å; L152-V177 HydrophobicContact CD1-CG1 3.78Å; L152-V177 HydrophobicContact CD1-CG2 4.02Å; L152-I206 HydrophobicContact CD2-CD1 3.8Å; L152-I206 HydrophobicContact CD2-CG1 4.03Å; L152-V221 HydrophobicContact CD2-CB 4.02Å; L152-V221 HydrophobicContact CD2-CG1 3.69Å; L152-V221 HydrophobicContact CD2-CG2 3.89Å; L152-L223 HydrophobicContact CD2-CD2 4.18Å; L152-F236 HydrophobicContact CB-CB 4.32Å; L152-F236 HydrophobicContact CB-CD1 3.74Å; L152-F236 HydrophobicContact CB-CD2 3.79Å; L152-F236 HydrophobicContact CB-CE1 3.9Å; L152-F236 HydrophobicContact CB-CE2 3.92Å; L152-F236 HydrophobicContact CB-CG 3.68Å; L152-F236 HydrophobicContact CB-CZ 3.98Å; L152-F236 HydrophobicContact CD1-CE1 4.43Å; L152-F236 HydrophobicContact CD1-CE2 4.01Å; L152-F236 HydrophobicContact CD1-CZ 3.88Å; L152-F236 HydrophobicContact CD2-CD2 4Å; L152-F236 HydrophobicContact CD2-CE2 3.91Å; L152-F236 HydrophobicContact CG-CD2 4.37Å; L152-F236 HydrophobicContact CG-CE2 4.17Å; L152-F236 HydrophobicContact CG-CZ 4.35Å; L152-D238 PolarHBondContact N-O 3.44Å; L152-V239 HydrophobicContact CB-CG2 4.38Å; L152-V239 HydrophobicContact CD2-CG1 4.25Å; L152-V239 HydrophobicContact CD2-CG2 4.43Å; L152-V239 CarbonylContact O-C 3.55Å; L152-V239 WeakPolarHBondContact O-CA 3.4Å; L152-I240 PolarHBondContact O-N 3.48Å
153	I	97.9	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.8	171.1	-54.4	-178.8	0	0	0	108.9	V151 A160 W163 A164 I167 V174 T175 V176 V177 I240	V151-I153 HydrophobicContact CG1-CG1 4.26Å; I153-A160 HydrophobicContact CG2-CB 4.08Å; I153-W163 HydrophobicContact CD1-CB 4.18Å; I153-A164 HydrophobicContact CD1-CB 3.83Å; I153-I167 HydrophobicContact CD1-CD1 4.35Å; I153-V174 HydrophobicContact CD1-CG1 4.04Å; I153-V174 HydrophobicContact CG1-CG1 4.39Å; I153-T175 PolarHBondContact N-O 2.82Å; I153-V176 HydrophobicContact CB-CG2 4.3Å; I153-V176 CarbonylContact O-C 3.52Å; I153-V176 VanDerWaalsContact O-CA 3.3Å; I153-V176 WeakPolarHBondContact O-CA 3.44Å; I153-V177 PolarHBondContact O-N 3.27Å; I153-I240 CarbonylContact C-O 3.56Å; I153-I240 WeakPolarHBondContact CA-O 3.17Å; I153-I240 HydrophobicContact CD1-CD1 4.31Å; I153-I240 HydrophobicContact CG1-CB 4.18Å; I153-I240 HydrophobicContact CG1-CD1 4.09Å
154	S	97.4	Very high	94.8	Very high	7 Å²	7	44.2 Å²	44.2	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110	174	-167.2	0	0	0	0	110.2	I240 S242 H243	S154-I240 PolarHBondContact N-O 3.13Å; S154-S242 CarbonylContact O-C 3.59Å; S154-S242 PolarHBondContact O-N 2.81Å; S154-H243 WeakPolarHBondContact CB-NE2 3.22Å; S154-H243 PolarHBondContact O-CD2 3.13Å; S154-H243 PolarHBondContact O-NE2 2.92Å; S154-H243 PolarHBondContact OG-NE2 3.35Å
155	G	95.1	Very high	94.9	Very high	8 Å²	8	35.8 Å²	35.8	8%	0.082	19%	0.185	C	C	.	.			trans	150.7	150.1	-178.1	0	0	0	0	0	112.2	A160 V176 V177	G155-A160 WeakPolarHBondContact O-CB 2.73Å; G155-V176 VanDerWaalsContact O-CG1 3.28Å; G155-V176 WeakPolarHBondContact O-CG1 3.11Å; G155-V177 PolarHBondContact N-O 3.24Å
156	G	90.6	Very high	94.8	Very high	13 Å²	13	31.6 Å²	31.6	13%	0.134	17%	0.171	C	C	.	.			trans	-124.5	12.7	179.7	0	0	0	0	0	114.2	S184 G185	G156-S184 PolarHBondContact O-N 3.44Å; G156-S184 PolarHBondContact O-OG 3.29Å; G156-S184 VanDerWaalsContact O-OG 3.13Å; G156-G185 PolarHBondContact O-N 3.14Å
157	G	90.5	Very high	94.8	Very high	24 Å²	24	31.5 Å²	31.5	25%	0.247	17%	0.171	C	C	.	.	S	Bend	trans	-88.7	176.2	178	0	0	0	0	0	112.8	T159 A160 L161	G157-T159 VanDerWaalsContact C-N 3.32Å; G157-T159 PolarHBondContact O-N 3.15Å; G157-A160 PolarHBondContact O-N 3.08Å; G157-A160 VanDerWaalsContact O-N 3.1Å; G157-L161 PolarHBondContact O-N 2.92Å; G157-L161 VanDerWaalsContact O-N 3.16Å
158	N	88.4	Confident	94.7	Very high	91 Å²	91	26.5 Å²	26.5	49%	0.487	15%	0.153	S	C	.	.	H	α-helix	trans	-51.8	-46.9	179.6	-71.5	-32.5	0	0	0	112.8	A160 L161 D162 G185 H186	N158-A160 VanDerWaalsContact C-N 3.35Å; N158-A160 PolarHBondContact O-N 3.35Å; N158-L161 PolarHBondContact O-N 3.35Å; N158-D162 VanDerWaalsContact O-CB 3.24Å; N158-D162 WeakPolarHBondContact O-CB 3.28Å; N158-D162 PolarHBondContact O-N 2.9Å; N158-G185 WeakPolarHBondContact OD1-CA 3.43Å; N158-H186 PolarHBondContact OD1-N 3.39Å
159	T	89.9	Confident	94.6	Very high	61 Å²	61	26.7 Å²	26.7	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-59.6	-42.3	179	-54.2	0	0	0	0	112.7	G157 L161 D162 W163	G157-T159 VanDerWaalsContact C-N 3.32Å; G157-T159 PolarHBondContact O-N 3.15Å; T159-L161 PolarHBondContact O-N 2.95Å; T159-D162 PolarHBondContact O-N 3.11Å; T159-W163 HydrophobicContact CG2-CD2 3.92Å; T159-W163 HydrophobicContact CG2-CE3 3.98Å; T159-W163 HydrophobicContact CG2-CH2 3.71Å; T159-W163 HydrophobicContact CG2-CZ2 3.63Å; T159-W163 HydrophobicContact CG2-CZ3 3.9Å; T159-W163 PolarHBondContact O-N 3.26Å
160	A	93.4	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-43.1	179.9	0	0	0	0	0	111.4	I153 G155 G157 N158 A164 S242	I153-A160 HydrophobicContact CG2-CB 4.08Å; G155-A160 WeakPolarHBondContact O-CB 2.73Å; G157-A160 PolarHBondContact O-N 3.08Å; G157-A160 VanDerWaalsContact O-N 3.1Å; N158-A160 VanDerWaalsContact C-N 3.35Å; N158-A160 PolarHBondContact O-N 3.35Å; A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 2.79Å; A160-S242 PolarHBondContact N-OG 3.41Å
161	L	93	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.5	-36.4	-180	-60.6	-177.3	0	0	0	112.4	G157 N158 T159 A164 H165 V183 M189 V193	G157-L161 PolarHBondContact O-N 2.92Å; G157-L161 VanDerWaalsContact O-N 3.16Å; N158-L161 PolarHBondContact O-N 3.35Å; T159-L161 PolarHBondContact O-N 2.95Å; L161-A164 PolarHBondContact O-N 3.17Å; L161-H165 WeakPolarHBondContact O-CB 3.4Å; L161-H165 PolarHBondContact O-N 3.28Å; L161-V183 HydrophobicContact CD1-CB 4.05Å; L161-V183 HydrophobicContact CD1-CG2 3.9Å; L161-V183 HydrophobicContact CD2-CB 4.44Å; L161-V183 HydrophobicContact CD2-CG1 4.03Å; L161-M189 HydrophobicContact CB-CB 4.16Å; L161-M189 HydrophobicContact CB-CG 3.37Å; L161-M189 HydrophobicContact CD1-CB 4.07Å; L161-M189 HydrophobicContact CD1-CG 4.21Å; L161-M189 HydrophobicContact CG-CG 4.45Å; L161-V193 WeakPolarHBondContact O-CG1 3.38Å
162	D	91.7	Very high	94.4	Very high	45 Å²	45	32 Å²	32	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-45.6	175.4	-172.8	32	0	0	0	111	K46 N158 T159 H165 D166 M189	K46-D162 WeakPolarHBondContact CE-OD2 3.17Å; K46-D162 IonicContact NZ-OD1 3.31Å; K46-D162 PolarHBondContact NZ-OD1 2.91Å; K46-D162 VanDerWaalsContact NZ-OD1 3.14Å; K46-D162 IonicContact NZ-OD2 3.66Å; K46-D162 PolarHBondContact NZ-OD2 3.25Å; N158-D162 VanDerWaalsContact O-CB 3.24Å; N158-D162 WeakPolarHBondContact O-CB 3.28Å; N158-D162 PolarHBondContact O-N 2.9Å; T159-D162 PolarHBondContact O-N 3.11Å; D162-H165 PolarHBondContact O-N 3.23Å; D162-D166 PolarHBondContact O-N 3.37Å; D162-M189 HydrophobicContact CB-CE 4.07Å
163	W	94.8	Very high	94.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-43.2	171.3	-71.8	-23.9	0	0	0	112.4	E45 V140 I153 T159 H165 D166 I167 I240	E45-W163 PolarHBondContact OE1-NE1 2.79Å; V140-W163 HydrophobicContact CB-CD2 4.37Å; V140-W163 HydrophobicContact CB-CZ2 4.3Å; V140-W163 HydrophobicContact CG2-CD2 3.64Å; V140-W163 HydrophobicContact CG2-CE3 4.14Å; V140-W163 HydrophobicContact CG2-CG 3.83Å; V140-W163 HydrophobicContact CG2-CZ2 4.19Å; I153-W163 HydrophobicContact CD1-CB 4.18Å; T159-W163 HydrophobicContact CG2-CD2 3.92Å; T159-W163 HydrophobicContact CG2-CE3 3.98Å; T159-W163 HydrophobicContact CG2-CH2 3.71Å; T159-W163 HydrophobicContact CG2-CZ2 3.63Å; T159-W163 HydrophobicContact CG2-CZ3 3.9Å; T159-W163 PolarHBondContact O-N 3.26Å; W163-H165 VanDerWaalsContact C-N 3.32Å; W163-H165 PolarHBondContact O-N 3Å; W163-D166 PolarHBondContact O-N 2.99Å; W163-I167 HydrophobicContact CB-CD1 4.22Å; W163-I167 WeakPolarHBondContact O-CB 3.43Å; W163-I167 WeakPolarHBondContact O-CG1 3.48Å; W163-I167 PolarHBondContact O-N 3.14Å; W163-I240 HydrophobicContact CE3-CG2 3.56Å; W163-I240 HydrophobicContact CZ3-CG2 3.57Å
164	A	95.7	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-45.9	177.5	0	0	0	0	0	111.7	I153 A160 L161 A168 V174 V176 V193 V198	I153-A164 HydrophobicContact CD1-CB 3.83Å; A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 2.79Å; L161-A164 PolarHBondContact O-N 3.17Å; A164-A168 WeakPolarHBondContact O-CB 3.08Å; A164-A168 PolarHBondContact O-N 3.14Å; A164-V174 HydrophobicContact CB-CG1 4.21Å; A164-V176 HydrophobicContact CB-CG2 3.61Å; A164-V193 HydrophobicContact CB-CG1 3.94Å; A164-V198 HydrophobicContact CB-CG1 4.3Å
165	H	94.3	Very high	94.4	Very high	35 Å²	35	34.8 Å²	34.8	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-47.7	178.6	167.3	-104	0	0	0	112.5	L161 D162 W163 K169 M189 V193 L196	L161-H165 WeakPolarHBondContact O-CB 3.4Å; L161-H165 PolarHBondContact O-N 3.28Å; D162-H165 PolarHBondContact O-N 3.23Å; W163-H165 VanDerWaalsContact C-N 3.32Å; W163-H165 PolarHBondContact O-N 3Å; H165-K169 VanDerWaalsContact CE1-CE 3.48Å; H165-K169 WeakPolarHBondContact CE1-CE 2.93Å; H165-K169 PolarHBondContact CE1-NZ 2.93Å; H165-K169 PolarHBondContact ND1-NZ 3.03Å; H165-M189 HydrophobicContact CB-SD 4.43Å; H165-V193 HydrophobicContact CB-CG1 3.93Å; H165-L196 VanDerWaalsContact CD2-CD1 3.45Å; H165-L196 WeakPolarHBondContact CD2-CD1 3.48Å; H165-L196 WeakPolarHBondContact O-CD1 3.49Å
166	D	93.5	Very high	94.4	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-37.1	-178.1	-77.6	-20.3	0	0	0	112.7	K46 Y143 D162 W163 K169	K46-D166 IonicContact NZ-OD2 3.26Å; K46-D166 PolarHBondContact NZ-OD2 2.8Å; Y143-D166 HydrophobicContact CD1-CB 4.43Å; Y143-D166 HydrophobicContact CE1-CB 3.77Å; Y143-D166 HydrophobicContact CE2-CB 3.92Å; Y143-D166 VanDerWaalsContact CZ-CB 3.45Å; Y143-D166 WeakPolarHBondContact OH-CB 3.34Å; Y143-D166 PolarHBondContact OH-OD2 3.44Å; D162-D166 PolarHBondContact O-N 3.37Å; W163-D166 PolarHBondContact O-N 2.99Å; D166-K169 IonicContact OD1-NZ 2.79Å; D166-K169 PolarHBondContact OD1-NZ 3.48Å
167	I	96.4	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.9	-37.1	178.8	-67.2	171.3	0	0	0	111.2	V140 Y143 F146 V151 I153 W163 K169 I170 A171 V174 I240	V140-I167 HydrophobicContact CG2-CD1 4.27Å; Y143-I167 HydrophobicContact CD1-CG1 3.9Å; Y143-I167 HydrophobicContact CE1-CG1 4.21Å; F146-I167 HydrophobicContact CB-CG2 3.74Å; F146-I167 HydrophobicContact CD2-CD1 3.67Å; F146-I167 HydrophobicContact CD2-CG1 3.84Å; F146-I167 HydrophobicContact CD2-CG2 4.46Å; F146-I167 HydrophobicContact CE2-CD1 3.85Å; F146-I167 HydrophobicContact CE2-CG1 4.43Å; F146-I167 HydrophobicContact CG-CD1 4.21Å; F146-I167 HydrophobicContact CG-CG1 4.4Å; F146-I167 HydrophobicContact CG-CG2 4.19Å; V151-I167 HydrophobicContact CB-CG2 4.39Å; V151-I167 HydrophobicContact CG1-CG2 4.43Å; V151-I167 HydrophobicContact CG2-CG2 4.11Å; I153-I167 HydrophobicContact CD1-CD1 4.35Å; W163-I167 HydrophobicContact CB-CD1 4.22Å; W163-I167 WeakPolarHBondContact O-CB 3.43Å; W163-I167 WeakPolarHBondContact O-CG1 3.48Å; W163-I167 PolarHBondContact O-N 3.14Å; I167-K169 PolarHBondContact O-N 3.02Å; I167-I170 VanDerWaalsContact O-CG1 3.28Å; I167-I170 WeakPolarHBondContact O-CG1 3.31Å; I167-I170 PolarHBondContact O-N 3.44Å; I167-A171 HydrophobicContact CG2-CB 3.7Å; I167-A171 VanDerWaalsContact O-CB 3.28Å; I167-A171 WeakPolarHBondContact O-CB 3.41Å; I167-A171 PolarHBondContact O-N 3.04Å; I167-V174 HydrophobicContact CB-CG2 4.44Å; I167-V174 HydrophobicContact CG2-CG2 3.85Å; I167-I240 HydrophobicContact CD1-CD1 3.38Å
168	A	96.2	Very high	95	Very high	20 Å²	20	33.5 Å²	33.5	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-20.9	-179.7	0	0	0	0	0	113.9	A164 I170 V174 L196 V198	A164-A168 WeakPolarHBondContact O-CB 3.08Å; A164-A168 PolarHBondContact O-N 3.14Å; A168-I170 PolarHBondContact O-N 2.8Å; A168-V174 HydrophobicContact CB-CB 4.47Å; A168-V174 HydrophobicContact CB-CG2 3.95Å; A168-L196 HydrophobicContact CB-CB 3.92Å; A168-L196 HydrophobicContact CB-CD1 4.13Å; A168-V198 HydrophobicContact CB-CG2 3.55Å
169	K	94.6	Very high	95.2	Very high	115 Å²	115	36.7 Å²	36.7	50%	0.5	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.8	176	-62.3	166.2	-171.8	165.9	0	113.6	H165 D166 I167 L196	H165-K169 VanDerWaalsContact CE1-CE 3.48Å; H165-K169 WeakPolarHBondContact CE1-CE 2.93Å; H165-K169 PolarHBondContact CE1-NZ 2.93Å; H165-K169 PolarHBondContact ND1-NZ 3.03Å; D166-K169 IonicContact OD1-NZ 2.79Å; D166-K169 PolarHBondContact OD1-NZ 3.48Å; I167-K169 PolarHBondContact O-N 3.02Å; K169-L196 HydrophobicContact CG-CD1 4.24Å
170	I	95.9	Very high	95.3	Very high	57 Å²	57	40.4 Å²	40.4	29%	0.292	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-20.3	-172.3	60.3	168.2	0	0	0	113.8	Y143 K147 D148 I167 A168	Y143-I170 WeakPolarHBondContact O-CD1 3.29Å; K147-I170 CarbonylContact C-O 3.55Å; K147-I170 WeakPolarHBondContact CA-O 3.5Å; D148-I170 PolarHBondContact N-O 2.67Å; I167-I170 VanDerWaalsContact O-CG1 3.28Å; I167-I170 WeakPolarHBondContact O-CG1 3.31Å; I167-I170 PolarHBondContact O-N 3.44Å; A168-I170 PolarHBondContact O-N 2.8Å
171	A	97.5	Very high	95.1	Very high	17 Å²	17	47.4 Å²	47.4	14%	0.14	22%	0.224	C	C	.	.	S	Bend	trans	-77.4	158.1	178.4	0	0	0	0	0	111.4	F146 K149 V151 I167 V174	F146-A171 VanDerWaalsContact O-CA 3.28Å; F146-A171 WeakPolarHBondContact O-CA 3.09Å; F146-A171 WeakPolarHBondContact O-CB 3.44Å; K149-A171 WeakPolarHBondContact O-CB 3.38Å; V151-A171 HydrophobicContact CG2-CB 4.23Å; I167-A171 HydrophobicContact CG2-CB 3.7Å; I167-A171 VanDerWaalsContact O-CB 3.28Å; I167-A171 WeakPolarHBondContact O-CB 3.41Å; I167-A171 PolarHBondContact O-N 3.04Å; A171-V174 HydrophobicContact CB-CG2 3.86Å
172	K	97.3	Very high	94.7	Very high	144 Å²	144	51 Å²	51	63%	0.626	24%	0.244	S	C	*	.	S	Bend	trans	-70.9	-42.1	172.5	174.7	-175.1	165	-149.4	0	110.7	K149 D150	K149-K172 WeakPolarHBondContact O-CB 3.4Å; K149-K172 PolarHBondContact O-N 3.1Å; D150-K172 IonicContact OD1-NZ 3.7Å; D150-K172 IonicContact OD2-NZ 2.75Å; D150-K172 PolarHBondContact OD2-NZ 2.91Å
173	S	97.3	Very high	94.4	Very high	47 Å²	47	49.7 Å²	49.7	33%	0.329	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.7	171.3	75.3	0	0	0	0	111.1	K149 D150 V151	K149-S173 PolarHBondContact O-N 3.5Å; D150-S173 WeakPolarHBondContact OD1-CB 3.08Å; D150-S173 PolarHBondContact OD1-OG 3.01Å; V151-S173 PolarHBondContact N-O 3.15Å
174	V	98.1	Very high	93.7	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.3	174	-177.7	0	0	0	0	108.9	V151 I153 A164 I167 A168 A171 V176 V198 K199	V151-V174 WeakPolarHBondContact O-CA 3.28Å; I153-V174 HydrophobicContact CD1-CG1 4.04Å; I153-V174 HydrophobicContact CG1-CG1 4.39Å; A164-V174 HydrophobicContact CB-CG1 4.21Å; I167-V174 HydrophobicContact CB-CG2 4.44Å; I167-V174 HydrophobicContact CG2-CG2 3.85Å; A168-V174 HydrophobicContact CB-CB 4.47Å; A168-V174 HydrophobicContact CB-CG2 3.95Å; A171-V174 HydrophobicContact CB-CG2 3.86Å; V174-V176 HydrophobicContact CG1-CG2 4.33Å; V174-V198 HydrophobicContact CB-CG1 4.21Å; V174-V198 HydrophobicContact CB-CG2 4.23Å; V174-V198 HydrophobicContact CG1-CG1 3.95Å; V174-V198 HydrophobicContact CG1-CG2 4.49Å; V174-K199 PolarHBondContact O-N 3.13Å
175	T	97.3	Very high	92.6	Very high	13 Å²	13	54 Å²	54	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132	170.8	-61.5	0	0	0	0	109.5	V151 L152 I153 V177 K199 F236	V151-T175 PolarHBondContact O-N 2.84Å; L152-T175 CarbonylContact C-O 3.2Å; L152-T175 WeakPolarHBondContact CA-O 3.35Å; L152-T175 HydrophobicContact CD1-CG2 4Å; I153-T175 PolarHBondContact N-O 2.82Å; T175-V177 HydrophobicContact CG2-CG1 4.33Å; T175-K199 CarbonylContact C-O 3.5Å; T175-K199 WeakPolarHBondContact CA-O 3.41Å; T175-K199 HydrophobicContact CG2-CB 4.39Å; T175-K199 HydrophobicContact CG2-CD 4.3Å; T175-K199 HydrophobicContact CG2-CG 4.42Å; T175-F236 HydrophobicContact CG2-CZ 4.21Å
176	V	97	Very high	91.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.2	176	-175.5	0	0	0	0	109.2	I153 G155 A164 V174 Y178 V198 K199 L200 C201	I153-V176 HydrophobicContact CB-CG2 4.3Å; I153-V176 CarbonylContact O-C 3.52Å; I153-V176 VanDerWaalsContact O-CA 3.3Å; I153-V176 WeakPolarHBondContact O-CA 3.44Å; G155-V176 VanDerWaalsContact O-CG1 3.28Å; G155-V176 WeakPolarHBondContact O-CG1 3.11Å; A164-V176 HydrophobicContact CB-CG2 3.61Å; V174-V176 HydrophobicContact CG1-CG2 4.33Å; V176-Y178 HydrophobicContact CG1-CD1 4.26Å; V176-V198 HydrophobicContact CG2-CG1 3.57Å; V176-K199 PolarHBondContact N-O 2.98Å; V176-L200 HydrophobicContact CB-CD2 3.78Å; V176-L200 HydrophobicContact CG1-CD2 4.41Å; V176-L200 HydrophobicContact CG2-CD2 4.12Å; V176-C201 PolarHBondContact O-N 3.19Å
177	V	96.8	Very high	90.8	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.1	175.1	-62.1	0	0	0	0	110.5	L152 I153 G155 T175 C201 T204 I206 L223	L152-V177 HydrophobicContact CD1-CB 4.49Å; L152-V177 HydrophobicContact CD1-CG1 3.78Å; L152-V177 HydrophobicContact CD1-CG2 4.02Å; I153-V177 PolarHBondContact O-N 3.27Å; G155-V177 PolarHBondContact N-O 3.24Å; T175-V177 HydrophobicContact CG2-CG1 4.33Å; V177-C201 HydrophobicContact CB-CB 4.45Å; V177-C201 HydrophobicContact CG1-CB 3.77Å; V177-T204 HydrophobicContact CB-CG2 4.18Å; V177-T204 HydrophobicContact CG1-CG2 3.86Å; V177-I206 HydrophobicContact CG2-CG1 4.36Å; V177-L223 HydrophobicContact CG1-CD1 3.98Å; V177-L223 HydrophobicContact CG1-CD2 4.04Å
178	Y	95.5	Very high	89.6	Confident	17 Å²	17	67.9 Å²	67.9	7%	0.067	34%	0.343	C	S	.	.			trans	-146.2	146.9	177.6	52.3	-83.4	0	0	0	111.3	V176 K180 V183 L200 C201 P202 K203 T204	V176-Y178 HydrophobicContact CG1-CD1 4.26Å; Y178-K180 VanDerWaalsContact C-N 3.32Å; Y178-K180 WeakPolarHBondContact CD2-O 3.4Å; Y178-K180 WeakPolarHBondContact CE2-O 3.4Å; Y178-K180 PolarHBondContact O-N 2.88Å; Y178-V183 HydrophobicContact CD1-CG1 3.92Å; Y178-V183 HydrophobicContact CD2-CG1 4.19Å; Y178-V183 HydrophobicContact CE1-CG1 3.66Å; Y178-V183 HydrophobicContact CE2-CG1 3.94Å; Y178-V183 HydrophobicContact CG-CG1 4.19Å; Y178-L200 HydrophobicContact CE1-CB 4.11Å; Y178-L200 HydrophobicContact CE1-CD2 4.48Å; Y178-C201 PolarHBondContact N-O 3.01Å; Y178-P202 HydrophobicContact CD2-CB 4.36Å; Y178-P202 VanDerWaalsContact CE2-CA 3.44Å; Y178-P202 HydrophobicContact CE2-CB 3.52Å; Y178-P202 VanDerWaalsContact CZ-CA 3.5Å; Y178-P202 CarbonylContact O-C 3.59Å; Y178-K203 WeakPolarHBondContact O-CA 3.36Å; Y178-K203 PolarHBondContact O-N 3.48Å; Y178-T204 CarbonylContact C-O 3.53Å; Y178-T204 VanDerWaalsContact C-O 3.23Å; Y178-T204 PolarHBondContact N-O 3.35Å; Y178-T204 PolarHBondContact O-N 3.36Å
179	R	92.8	Very high	88.6	Confident	158 Å²	158	68.9 Å²	68.9	60%	0.596	35%	0.345	S	S	*	.	S	Bend	trans	-74.8	-19.3	-171.9	-71.2	-177.6	-93.2	-175.6	-10.7	114.4	R205 V226	R179-R205 HydrophobicContact CG-CB 4.16Å; R179-V226 HydrophobicContact CG-CG1 4.43Å
180	K	92.2	Very high	87.6	Confident	139 Å²	139	66.7 Å²	66.7	60%	0.604	34%	0.335	S	S	*	.	S	Bend	trans	-92.5	168.3	-176.7	-68.1	-174.6	179.4	-176.5	0	110.7	Y178 D182 K203	Y178-K180 VanDerWaalsContact C-N 3.32Å; Y178-K180 WeakPolarHBondContact CD2-O 3.4Å; Y178-K180 WeakPolarHBondContact CE2-O 3.4Å; Y178-K180 PolarHBondContact O-N 2.88Å; K180-D182 VanDerWaalsContact C-N 3.33Å; K180-D182 VanDerWaalsContact CB-O 3.28Å; K180-D182 WeakPolarHBondContact CB-O 3.44Å; K180-K203 PolarHBondContact O-N 3.5Å
181	E	89	Confident	86.7	Confident	147 Å²	147	67.9 Å²	67.9	69%	0.687	35%	0.345	S	S	*	.	S	Bend	trans	-66.4	-38	171.9	-175.6	160.3	-145.2	0	0	112	P202	E181-P202 WeakPolarHBondContact O-CB 3.45Å
182	D	85.8	Confident	85.8	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	36%	0.357	S	S	.	.	S	Bend	trans	-126	160.1	174.2	-146.1	-15.9	0	0	0	112.6	K180 K190	K180-D182 VanDerWaalsContact C-N 3.33Å; K180-D182 VanDerWaalsContact CB-O 3.28Å; K180-D182 WeakPolarHBondContact CB-O 3.44Å; D182-K190 VanDerWaalsContact OD1-CE 3.25Å; D182-K190 WeakPolarHBondContact OD1-CE 3.39Å; D182-K190 IonicContact OD1-NZ 3.88Å; D182-K190 PolarHBondContact OD1-NZ 2.74Å; D182-K190 IonicContact OD2-NZ 2.67Å; D182-K190 PolarHBondContact OD2-NZ 3.16Å
183	V	83.8	Confident	85	Confident	16 Å²	16	63.8 Å²	63.8	10%	0.097	33%	0.327	C	S	.	.			trans	-68.5	143.1	170.9	-61.6	0	0	0	0	109.3	L161 Y178 G185 K190	L161-V183 HydrophobicContact CD1-CB 4.05Å; L161-V183 HydrophobicContact CD1-CG2 3.9Å; L161-V183 HydrophobicContact CD2-CB 4.44Å; L161-V183 HydrophobicContact CD2-CG1 4.03Å; Y178-V183 HydrophobicContact CD1-CG1 3.92Å; Y178-V183 HydrophobicContact CD2-CG1 4.19Å; Y178-V183 HydrophobicContact CE1-CG1 3.66Å; Y178-V183 HydrophobicContact CE2-CG1 3.94Å; Y178-V183 HydrophobicContact CG-CG1 4.19Å; V183-G185 VanDerWaalsContact C-N 3.31Å; V183-K190 HydrophobicContact CG2-CB 4.07Å; V183-K190 HydrophobicContact CG2-CD 3.84Å; V183-K190 HydrophobicContact CG2-CG 3.94Å
184	S	80.8	Confident	84	Confident	83 Å²	83	65.2 Å²	65.2	58%	0.58	33%	0.334	S	S	*	.			trans	-92.1	4.7	175.7	57	0	0	0	0	112.7	G156	G156-S184 PolarHBondContact O-N 3.44Å; G156-S184 PolarHBondContact O-OG 3.29Å; G156-S184 VanDerWaalsContact O-OG 3.13Å
185	G	72.4	Confident	83.4	Confident	12 Å²	12	70.4 Å²	70.4	12%	0.124	36%	0.362	C	S	.	.	S	Bend	trans	-76.2	167.8	174.4	0	0	0	0	0	112.1	G156 N158 V183 E187	G156-G185 PolarHBondContact O-N 3.14Å; N158-G185 WeakPolarHBondContact OD1-CA 3.43Å; V183-G185 VanDerWaalsContact C-N 3.31Å; G185-E187 PolarHBondContact O-N 2.84Å
186	H	75.5	Confident	83	Confident	135 Å²	135	72.7 Å²	72.7	63%	0.625	37%	0.373	S	S	*	.			trans	-58.3	135.7	178	-160	-80.5	0	0	0	110.9	N158 A188 M189	N158-H186 PolarHBondContact OD1-N 3.39Å; H186-A188 PolarHBondContact O-N 2.79Å; H186-A188 VanDerWaalsContact O-N 3.14Å; H186-M189 WeakPolarHBondContact O-CB 3.46Å; H186-M189 PolarHBondContact O-N 2.81Å
187	E	73.8	Confident	82.6	Confident	168 Å²	168	80 Å²	80	79%	0.785	41%	0.412	S	S	*	.	H	α-helix	trans	-52.7	-41.6	-174	-69.6	-176.4	162.1	0	0	112.9	G185 M189 K190 T191	G185-E187 PolarHBondContact O-N 2.84Å; E187-M189 PolarHBondContact O-N 3.25Å; E187-M189 VanDerWaalsContact O-N 3.15Å; E187-K190 WeakPolarHBondContact O-CB 3.49Å; E187-K190 PolarHBondContact O-N 3.46Å; E187-T191 PolarHBondContact O-N 2.96Å
188	A	72.9	Confident	82.5	Confident	54 Å²	54	80.4 Å²	80.4	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-52.9	-35.5	175.2	0	0	0	0	0	113.5	H186 L192	H186-A188 PolarHBondContact O-N 2.79Å; H186-A188 VanDerWaalsContact O-N 3.14Å; A188-L192 VanDerWaalsContact O-CG 3.31Å; A188-L192 WeakPolarHBondContact O-CG 3.42Å; A188-L192 PolarHBondContact O-N 3.33Å
189	M	74.4	Confident	82.5	Confident	41 Å²	41	85.3 Å²	85.3	20%	0.202	44%	0.436	C	S	.	.	H	α-helix	trans	-74.1	-29.4	-179.4	-158.6	68	84.5	0	0	112.2	L161 D162 H165 H186 E187 L192 V193	L161-M189 HydrophobicContact CB-CB 4.16Å; L161-M189 HydrophobicContact CB-CG 3.37Å; L161-M189 HydrophobicContact CD1-CB 4.07Å; L161-M189 HydrophobicContact CD1-CG 4.21Å; L161-M189 HydrophobicContact CG-CG 4.45Å; D162-M189 HydrophobicContact CB-CE 4.07Å; H165-M189 HydrophobicContact CB-SD 4.43Å; H186-M189 WeakPolarHBondContact O-CB 3.46Å; H186-M189 PolarHBondContact O-N 2.81Å; E187-M189 PolarHBondContact O-N 3.25Å; E187-M189 VanDerWaalsContact O-N 3.15Å; M189-L192 PolarHBondContact O-N 2.79Å; M189-L192 HydrophobicContact SD-CD1 3.98Å; M189-V193 WeakPolarHBondContact O-CG2 3.05Å; M189-V193 PolarHBondContact O-N 2.87Å; M189-V193 VanDerWaalsContact O-N 3.17Å
190	K	73.8	Confident	82.5	Confident	68 Å²	68	79.7 Å²	79.7	30%	0.296	42%	0.418	S	S	.	.	H	α-helix	trans	-66.5	-41.2	175.1	-168.4	-175.2	-179.5	-179.6	0	111.2	D182 V183 E187 V193 T194 L200	D182-K190 VanDerWaalsContact OD1-CE 3.25Å; D182-K190 WeakPolarHBondContact OD1-CE 3.39Å; D182-K190 IonicContact OD1-NZ 3.88Å; D182-K190 PolarHBondContact OD1-NZ 2.74Å; D182-K190 IonicContact OD2-NZ 2.67Å; D182-K190 PolarHBondContact OD2-NZ 3.16Å; V183-K190 HydrophobicContact CG2-CB 4.07Å; V183-K190 HydrophobicContact CG2-CD 3.84Å; V183-K190 HydrophobicContact CG2-CG 3.94Å; E187-K190 WeakPolarHBondContact O-CB 3.49Å; E187-K190 PolarHBondContact O-N 3.46Å; K190-V193 WeakPolarHBondContact O-CG2 3.28Å; K190-T194 PolarHBondContact O-N 3.02Å; K190-T194 PolarHBondContact O-OG1 3.45Å; K190-L200 HydrophobicContact CG-CD1 4.2Å
191	T	77.1	Confident	82.6	Confident	83 Å²	83	73.7 Å²	73.7	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-48.4	175.2	-50	0	0	0	0	110.6	E187 V193 T194 D195	E187-T191 PolarHBondContact O-N 2.96Å; T191-V193 VanDerWaalsContact C-N 3.31Å; T191-V193 PolarHBondContact O-N 2.87Å; T191-T194 PolarHBondContact O-N 2.85Å; T191-D195 PolarHBondContact O-N 2.78Å
192	L	77.6	Confident	82.9	Confident	74 Å²	74	69.2 Å²	69.2	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-57.6	-38.6	-179.3	-74.2	169.4	0	0	0	113.8	A188 M189	A188-L192 VanDerWaalsContact O-CG 3.31Å; A188-L192 WeakPolarHBondContact O-CG 3.42Å; A188-L192 PolarHBondContact O-N 3.33Å; M189-L192 PolarHBondContact O-N 2.79Å; M189-L192 HydrophobicContact SD-CD1 3.98Å
193	V	80.3	Confident	83.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-74.9	-34	177.1	-63.8	0	0	0	0	112.1	L161 A164 H165 M189 K190 T191 L196 V198 L200	L161-V193 WeakPolarHBondContact O-CG1 3.38Å; A164-V193 HydrophobicContact CB-CG1 3.94Å; H165-V193 HydrophobicContact CB-CG1 3.93Å; M189-V193 WeakPolarHBondContact O-CG2 3.05Å; M189-V193 PolarHBondContact O-N 2.87Å; M189-V193 VanDerWaalsContact O-N 3.17Å; K190-V193 WeakPolarHBondContact O-CG2 3.28Å; T191-V193 VanDerWaalsContact C-N 3.31Å; T191-V193 PolarHBondContact O-N 2.87Å; V193-L196 PolarHBondContact O-N 3.31Å; V193-V198 HydrophobicContact CB-CB 3.92Å; V193-V198 HydrophobicContact CB-CG1 4.31Å; V193-V198 HydrophobicContact CB-CG2 3.92Å; V193-V198 WeakPolarHBondContact O-CB 3.39Å; V193-V198 VanDerWaalsContact O-CG2 3.25Å; V193-V198 WeakPolarHBondContact O-CG2 3.4Å; V193-V198 PolarHBondContact O-N 3.48Å; V193-V198 VanDerWaalsContact O-N 3.12Å; V193-L200 HydrophobicContact CG2-CD1 4.3Å; V193-L200 HydrophobicContact CG2-CD2 4.17Å
194	T	76.7	Confident	84	Confident	77 Å²	77	67 Å²	67	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-40.3	178.9	-51.8	0	0	0	0	110.8	K190 T191 L196 N197	K190-T194 PolarHBondContact O-N 3.02Å; K190-T194 PolarHBondContact O-OG1 3.45Å; T191-T194 PolarHBondContact O-N 2.85Å; T194-L196 PolarHBondContact O-N 2.89Å; T194-N197 PolarHBondContact O-N 3.38Å
195	D	85.2	Confident	84.8	Confident	117 Å²	117	67.9 Å²	67.9	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-22.2	176.9	-66.7	-17.6	0	0	0	113.1	T191	T191-D195 PolarHBondContact O-N 2.78Å
196	L	89.1	Confident	86	Confident	61 Å²	61	67.8 Å²	67.8	32%	0.319	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	16.2	177.3	-66.1	175.4	0	0	0	113.4	H165 A168 K169 V193 T194 V198	H165-L196 VanDerWaalsContact CD2-CD1 3.45Å; H165-L196 WeakPolarHBondContact CD2-CD1 3.48Å; H165-L196 WeakPolarHBondContact O-CD1 3.49Å; A168-L196 HydrophobicContact CB-CB 3.92Å; A168-L196 HydrophobicContact CB-CD1 4.13Å; K169-L196 HydrophobicContact CG-CD1 4.24Å; V193-L196 PolarHBondContact O-N 3.31Å; T194-L196 PolarHBondContact O-N 2.89Å; L196-V198 HydrophobicContact CB-CG2 4.31Å; L196-V198 PolarHBondContact O-N 2.66Å
197	N	88.7	Confident	86.9	Confident	152 Å²	152	64 Å²	64	81%	0.813	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	28	-177.1	-61.4	-56.8	0	0	0	114	T194 K199	T194-N197 PolarHBondContact O-N 3.38Å; N197-K199 PolarHBondContact O-N 3.26Å
198	V	94.9	Very high	87.9	Confident	10 Å²	10	61.6 Å²	61.6	6%	0.061	32%	0.317	C	S	.	.			trans	-68	125	172.8	178.2	0	0	0	0	109.1	A164 A168 V174 V176 V193 L196 L200	A164-V198 HydrophobicContact CB-CG1 4.3Å; A168-V198 HydrophobicContact CB-CG2 3.55Å; V174-V198 HydrophobicContact CB-CG1 4.21Å; V174-V198 HydrophobicContact CB-CG2 4.23Å; V174-V198 HydrophobicContact CG1-CG1 3.95Å; V174-V198 HydrophobicContact CG1-CG2 4.49Å; V176-V198 HydrophobicContact CG2-CG1 3.57Å; V193-V198 HydrophobicContact CB-CB 3.92Å; V193-V198 HydrophobicContact CB-CG1 4.31Å; V193-V198 HydrophobicContact CB-CG2 3.92Å; V193-V198 WeakPolarHBondContact O-CB 3.39Å; V193-V198 VanDerWaalsContact O-CG2 3.25Å; V193-V198 WeakPolarHBondContact O-CG2 3.4Å; V193-V198 PolarHBondContact O-N 3.48Å; V193-V198 VanDerWaalsContact O-N 3.12Å; L196-V198 HydrophobicContact CB-CG2 4.31Å; L196-V198 PolarHBondContact O-N 2.66Å; V198-L200 HydrophobicContact CG1-CD2 4.15Å; V198-L200 PolarHBondContact O-N 3.29Å
199	K	94.9	Very high	89	Confident	119 Å²	119	60.1 Å²	60.1	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.9	177.8	-175.7	-178.2	179.2	-176	0	110.1	V174 T175 V176 N197	V174-K199 PolarHBondContact O-N 3.13Å; T175-K199 CarbonylContact C-O 3.5Å; T175-K199 WeakPolarHBondContact CA-O 3.41Å; T175-K199 HydrophobicContact CG2-CB 4.39Å; T175-K199 HydrophobicContact CG2-CD 4.3Å; T175-K199 HydrophobicContact CG2-CG 4.42Å; V176-K199 PolarHBondContact N-O 2.98Å; N197-K199 PolarHBondContact O-N 3.26Å
200	L	94	Very high	89.9	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.7	173	-60	-174.6	0	0	0	110.6	V176 Y178 K190 V193 V198	V176-L200 HydrophobicContact CB-CD2 3.78Å; V176-L200 HydrophobicContact CG1-CD2 4.41Å; V176-L200 HydrophobicContact CG2-CD2 4.12Å; Y178-L200 HydrophobicContact CE1-CB 4.11Å; Y178-L200 HydrophobicContact CE1-CD2 4.48Å; K190-L200 HydrophobicContact CG-CD1 4.2Å; V193-L200 HydrophobicContact CG2-CD1 4.3Å; V193-L200 HydrophobicContact CG2-CD2 4.17Å; V198-L200 HydrophobicContact CG1-CD2 4.15Å; V198-L200 PolarHBondContact O-N 3.29Å
201	C	94.6	Very high	90.9	Very high	14 Å²	14	58.2 Å²	58.2	10%	0.095	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	85.4	179.5	-69.8	0	0	0	0	108.9	V176 V177 Y178 T204	V176-C201 PolarHBondContact O-N 3.19Å; V177-C201 HydrophobicContact CB-CB 4.45Å; V177-C201 HydrophobicContact CG1-CB 3.77Å; Y178-C201 PolarHBondContact N-O 3.01Å; C201-T204 WeakPolarHBondContact O-CB 3.18Å
202	P	94.9	Very high	91.7	Very high	52 Å²	52	56.8 Å²	56.8	34%	0.338	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	164	174.9	28.1	-34.7	0	0	0	110.9	Y178 E181 T204	Y178-P202 HydrophobicContact CD2-CB 4.36Å; Y178-P202 VanDerWaalsContact CE2-CA 3.44Å; Y178-P202 HydrophobicContact CE2-CB 3.52Å; Y178-P202 VanDerWaalsContact CZ-CA 3.5Å; Y178-P202 CarbonylContact O-C 3.59Å; E181-P202 WeakPolarHBondContact O-CB 3.45Å; P202-T204 PolarHBondContact O-N 3.48Å; P202-T204 PolarHBondContact O-OG1 3.25Å
203	K	96.1	Very high	92.4	Very high	39 Å²	39	61.8 Å²	61.8	17%	0.17	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	33	175.6	-64.1	-172.9	-177.5	-169.5	0	112.9	Y178 K180 H225 V226 E227	Y178-K203 WeakPolarHBondContact O-CA 3.36Å; Y178-K203 PolarHBondContact O-N 3.48Å; K180-K203 PolarHBondContact O-N 3.5Å; K203-H225 WeakPolarHBondContact CB-NE2 3.49Å; K203-H225 CarbonylContact O-C 3.56Å; K203-H225 VanDerWaalsContact O-CA 3.29Å; K203-H225 WeakPolarHBondContact O-CA 3.48Å; K203-V226 HydrophobicContact CB-CG2 3.83Å; K203-V226 HydrophobicContact CG-CG2 4.39Å; K203-V226 WeakPolarHBondContact O-CG2 3.26Å; K203-V226 PolarHBondContact O-N 3.13Å; K203-E227 HydrophobicContact CD-CG 4.37Å; K203-E227 WeakPolarHBondContact CD-OE2 3.5Å; K203-E227 WeakPolarHBondContact CE-OE1 3.39Å; K203-E227 IonicContact NZ-OE1 3.99Å; K203-E227 PolarHBondContact NZ-OE1 3Å; K203-E227 IonicContact NZ-OE2 3.16Å; K203-E227 PolarHBondContact NZ-OE2 2.83Å
204	T	97	Very high	92.9	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	-174.4	-57.8	0	0	0	0	110.5	V177 Y178 C201 P202 L223 E224	V177-T204 HydrophobicContact CB-CG2 4.18Å; V177-T204 HydrophobicContact CG1-CG2 3.86Å; Y178-T204 CarbonylContact C-O 3.53Å; Y178-T204 VanDerWaalsContact C-O 3.23Å; Y178-T204 PolarHBondContact N-O 3.35Å; Y178-T204 PolarHBondContact O-N 3.36Å; C201-T204 WeakPolarHBondContact O-CB 3.18Å; P202-T204 PolarHBondContact O-N 3.48Å; P202-T204 PolarHBondContact O-OG1 3.25Å; T204-L223 HydrophobicContact CG2-CB 3.87Å; T204-L223 HydrophobicContact CG2-CD1 4.45Å; T204-L223 HydrophobicContact CG2-CD2 4.45Å; T204-L223 HydrophobicContact CG2-CG 4.49Å; T204-E224 WeakPolarHBondContact CA-O 3.46Å
205	R	96.2	Very high	93.5	Very high	100 Å²	100	68.2 Å²	68.2	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156	174.8	66.9	177.7	176.2	-160.5	-3.4	111.9	R179 K207 L223 E224 V226	R179-R205 HydrophobicContact CG-CB 4.16Å; R205-K207 PolarHBondContact O-N 2.86Å; R205-L223 WeakPolarHBondContact O-CA 3.24Å; R205-E224 HydrophobicContact CG-CB 4.33Å; R205-E224 IonicContact CZ-OE2 3Å; R205-E224 PolarHBondContact N-O 2.83Å; R205-E224 IonicContact NE-OE2 2.85Å; R205-E224 PolarHBondContact NE-OE2 3.46Å; R205-E224 IonicContact NH2-OE2 3.65Å; R205-E224 PolarHBondContact NH2-OE2 3.49Å; R205-E224 PolarHBondContact O-N 3.24Å; R205-V226 HydrophobicContact CB-CG1 4.4Å; R205-V226 HydrophobicContact CG-CG1 4.18Å
206	I	97.5	Very high	93.8	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.056	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125	164.8	-60.7	175.9	0	0	0	107.6	L123 V125 L152 V177 L209 V221 L223 V239 I241	L123-I206 HydrophobicContact CD1-CB 4.28Å; L123-I206 HydrophobicContact CD2-CD1 4.33Å; L123-I206 HydrophobicContact CD2-CG2 4.04Å; V125-I206 HydrophobicContact CG2-CG2 4.41Å; L152-I206 HydrophobicContact CD2-CD1 3.8Å; L152-I206 HydrophobicContact CD2-CG1 4.03Å; V177-I206 HydrophobicContact CG2-CG1 4.36Å; I206-L209 HydrophobicContact CG2-CD2 3.88Å; I206-L209 HydrophobicContact CG2-CG 4.48Å; I206-V221 HydrophobicContact CB-CG1 4.33Å; I206-V221 HydrophobicContact CD1-CG1 4.37Å; I206-V221 HydrophobicContact CG1-CG1 3.94Å; I206-V221 HydrophobicContact CG2-CG1 3.77Å; I206-L223 HydrophobicContact CG1-CD2 4.07Å; I206-V239 HydrophobicContact CD1-CG1 3.86Å; I206-I241 HydrophobicContact CD1-CD1 3.8Å
207	K	96	Very high	94.1	Very high	55 Å²	55	66 Å²	66	24%	0.239	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-45.2	177.8	-176.2	61.9	172.5	-169.9	0	111.9	R205 V222 E224	R205-K207 PolarHBondContact O-N 2.86Å; K207-V222 HydrophobicContact CB-CG1 4.38Å; K207-V222 PolarHBondContact N-O 3.22Å; K207-E224 HydrophobicContact CB-CB 3.88Å; K207-E224 HydrophobicContact CG-CB 4.39Å; K207-E224 IonicContact NZ-OE1 2.94Å; K207-E224 IonicContact NZ-OE2 2.81Å
208	Y	94.2	Very high	94.4	Very high	117 Å²	117	59 Å²	59	46%	0.459	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.2	177.3	-57.3	-67.9	0	0	0	110.4	V222	Y208-V222 HydrophobicContact CD2-CB 4.34Å; Y208-V222 HydrophobicContact CD2-CG1 4.33Å; Y208-V222 PolarHBondContact N-O 2.86Å; Y208-V222 PolarHBondContact O-N 3.41Å
209	L	95.6	Very high	94.5	Very high	23 Å²	23	60.4 Å²	60.4	12%	0.12	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	167.5	-60.2	177.7	0	0	0	107.9	L123 V128 Y131 L136 I206 I218 V221	L123-L209 HydrophobicContact CD2-CD1 4.11Å; L123-L209 HydrophobicContact CD2-CD2 4.48Å; L123-L209 HydrophobicContact CD2-CG 4.39Å; V128-L209 HydrophobicContact CG1-CD1 3.84Å; Y131-L209 HydrophobicContact CD2-CB 4.36Å; Y131-L209 HydrophobicContact CD2-CD1 3.74Å; Y131-L209 HydrophobicContact CE2-CB 3.87Å; Y131-L209 HydrophobicContact CE2-CD1 4.07Å; L136-L209 HydrophobicContact CD2-CD1 4.35Å; I206-L209 HydrophobicContact CG2-CD2 3.88Å; I206-L209 HydrophobicContact CG2-CG 4.48Å; L209-I218 HydrophobicContact CB-CG1 4.44Å; L209-I218 HydrophobicContact CD1-CD1 3.85Å; L209-I218 HydrophobicContact CD1-CG1 4.26Å; L209-I218 HydrophobicContact CD2-CD1 4.05Å; L209-I218 HydrophobicContact CD2-CG1 4.48Å; L209-I218 HydrophobicContact CD2-CG2 4.24Å; L209-I218 HydrophobicContact CG-CD1 4.44Å; L209-V221 HydrophobicContact CD2-CG1 4.2Å; L209-V221 HydrophobicContact CD2-CG2 4.09Å
210	V	94.7	Very high	94.6	Very high	51 Å²	51	57.5 Å²	57.5	31%	0.309	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.7	176.4	-177	0	0	0	0	107.5	S219 E220 V222	V210-S219 PolarHBondContact O-N 3.31Å; V210-S219 PolarHBondContact O-OG 3.34Å; V210-E220 HydrophobicContact CB-CB 3.99Å; V210-E220 WeakPolarHBondContact CB-O 3.46Å; V210-E220 HydrophobicContact CG2-CB 4.4Å; V210-E220 PolarHBondContact N-O 3.19Å; V210-E220 PolarHBondContact O-N 3.11Å; V210-V222 HydrophobicContact CG2-CG2 4.02Å
211	G	93.7	Very high	94.7	Very high	18 Å²	18	55.6 Å²	55.6	19%	0.186	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	162.7	176	0	0	0	0	0	112	Y131 H217 S219	Y131-G211 WeakPolarHBondContact OH-CA 3.42Å; Y131-G211 PolarHBondContact OH-N 2.89Å; G211-H217 CarbonylContact C-O 3.59Å; G211-H217 VanDerWaalsContact CA-O 3.26Å; G211-H217 WeakPolarHBondContact CA-O 3.41Å; G211-S219 VanDerWaalsContact C-OG 3.28Å; G211-S219 PolarHBondContact O-OG 3.38Å
212	N	93.6	Very high	94.9	Very high	53 Å²	53	55.8 Å²	55.8	28%	0.283	29%	0.285	S	S	.	.			trans	-67.9	178.8	156.1	64.2	-28	0	0	0	111	D214 E215 T216 H217	N212-D214 PolarHBondContact ND2-OD1 2.89Å; N212-D214 PolarHBondContact O-N 3.46Å; N212-D214 VanDerWaalsContact O-N 3.11Å; N212-D214 PolarHBondContact OD1-OD1 3.46Å; N212-E215 WeakPolarHBondContact O-CA 3.34Å; N212-E215 PolarHBondContact O-N 3.32Å; N212-E215 PolarHBondContact OD1-N 3.39Å; N212-T216 PolarHBondContact ND2-OG1 3.49Å; N212-T216 PolarHBondContact OD1-N 3.37Å; N212-H217 PolarHBondContact N-O 3.07Å; N212-H217 PolarHBondContact OD1-N 3.15Å; N212-H217 PolarHBondContact OD1-O 3.05Å; N212-H217 VanDerWaalsContact OD1-O 3.1Å
213	D	92.5	Very high	95	Very high	179 Å²	179	53.4 Å²	53.4	96%	0.957	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.1	-172.8	-62.5	-19.5	0	0	0	114.7
214	D	91.9	Very high	95.1	Very high	101 Å²	101	52 Å²	52	54%	0.54	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3.8	176.9	67.9	5.7	0	0	0	113.7	N212 T216	N212-D214 PolarHBondContact ND2-OD1 2.89Å; N212-D214 PolarHBondContact O-N 3.46Å; N212-D214 VanDerWaalsContact O-N 3.11Å; N212-D214 PolarHBondContact OD1-OD1 3.46Å; D214-T216 HydrophobicContact CB-CG2 4.24Å; D214-T216 VanDerWaalsContact CG-CG2 3.48Å; D214-T216 VanDerWaalsContact CG-OG1 3.27Å; D214-T216 PolarHBondContact O-N 2.68Å; D214-T216 VanDerWaalsContact O-N 3.15Å; D214-T216 WeakPolarHBondContact OD1-CB 3.24Å; D214-T216 WeakPolarHBondContact OD1-CG2 3.1Å; D214-T216 PolarHBondContact OD1-N 3.06Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; D214-T216 PolarHBondContact OD1-OG1 3.01Å; D214-T216 PolarHBondContact OD2-OG1 3.1Å
215	E	88.8	Confident	95.1	Very high	112 Å²	112	54.2 Å²	54.2	52%	0.523	27%	0.273	S	S	.	.	S	Bend	trans	54.5	24.5	-177.8	-55.3	-168.7	155.6	0	0	115	R130 Y131 N212	R130-E215 WeakPolarHBondContact CD-O 3.28Å; R130-E215 IonicContact CZ-OE2 2.9Å; R130-E215 IonicContact NH1-OE2 2.74Å; R130-E215 PolarHBondContact NH1-OE2 3.07Å; Y131-E215 WeakPolarHBondContact CE1-O 3.49Å; N212-E215 WeakPolarHBondContact O-CA 3.34Å; N212-E215 PolarHBondContact O-N 3.32Å; N212-E215 PolarHBondContact OD1-N 3.39Å
216	T	90.7	Very high	95	Very high	52 Å²	52	52 Å²	52	32%	0.319	27%	0.27	S	S	.	.	S	Bend	trans	-87.9	-30.2	179.8	62.5	0	0	0	0	113.1	T134 N212 D214	T134-T216 WeakPolarHBondContact CB-O 3.35Å; T134-T216 WeakPolarHBondContact CG2-O 3.36Å; T134-T216 PolarHBondContact OG1-O 3.32Å; N212-T216 PolarHBondContact ND2-OG1 3.49Å; N212-T216 PolarHBondContact OD1-N 3.37Å; D214-T216 HydrophobicContact CB-CG2 4.24Å; D214-T216 VanDerWaalsContact CG-CG2 3.48Å; D214-T216 VanDerWaalsContact CG-OG1 3.27Å; D214-T216 PolarHBondContact O-N 2.68Å; D214-T216 VanDerWaalsContact O-N 3.15Å; D214-T216 WeakPolarHBondContact OD1-CB 3.24Å; D214-T216 WeakPolarHBondContact OD1-CG2 3.1Å; D214-T216 PolarHBondContact OD1-N 3.06Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; D214-T216 PolarHBondContact OD1-OG1 3.01Å; D214-T216 PolarHBondContact OD2-OG1 3.1Å
217	H	95.1	Very high	94.8	Very high	80 Å²	80	57.6 Å²	57.6	37%	0.37	30%	0.296	S	S	.	.	S	Bend	trans	-129	145.2	-177	-67.8	73.4	0	0	0	110.7	G211 N212 S219	G211-H217 CarbonylContact C-O 3.59Å; G211-H217 VanDerWaalsContact CA-O 3.26Å; G211-H217 WeakPolarHBondContact CA-O 3.41Å; N212-H217 PolarHBondContact N-O 3.07Å; N212-H217 PolarHBondContact OD1-N 3.15Å; N212-H217 PolarHBondContact OD1-O 3.05Å; N212-H217 VanDerWaalsContact OD1-O 3.1Å; H217-S219 PolarHBondContact O-N 3.14Å
218	I	96.7	Very high	94.8	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	120.8	167.9	-55.6	164.7	0	0	0	107.2	Y131 N135 L136 L209 V221 V239	Y131-I218 HydrophobicContact CD1-CG1 3.79Å; Y131-I218 HydrophobicContact CD2-CD1 4.28Å; Y131-I218 HydrophobicContact CD2-CG1 3.79Å; Y131-I218 HydrophobicContact CE1-CG1 4.21Å; Y131-I218 HydrophobicContact CE2-CG1 4.21Å; Y131-I218 HydrophobicContact CG-CD1 4.13Å; Y131-I218 HydrophobicContact CG-CG1 3.55Å; N135-I218 PolarHBondContact ND2-N 3.43Å; N135-I218 PolarHBondContact ND2-O 3.27Å; N135-I218 WeakPolarHBondContact OD1-CG1 3.49Å; N135-I218 PolarHBondContact OD1-N 3.18Å; L136-I218 HydrophobicContact CB-CD1 3.95Å; L136-I218 HydrophobicContact CD1-CD1 4.17Å; L209-I218 HydrophobicContact CB-CG1 4.44Å; L209-I218 HydrophobicContact CD1-CD1 3.85Å; L209-I218 HydrophobicContact CD1-CG1 4.26Å; L209-I218 HydrophobicContact CD2-CD1 4.05Å; L209-I218 HydrophobicContact CD2-CG1 4.48Å; L209-I218 HydrophobicContact CD2-CG2 4.24Å; L209-I218 HydrophobicContact CG-CD1 4.44Å; I218-V221 HydrophobicContact CG2-CG2 3.81Å; I218-V239 HydrophobicContact CD1-CB 3.98Å; I218-V239 HydrophobicContact CD1-CG2 3.75Å; I218-V239 HydrophobicContact CG2-CG2 4.15Å
219	S	95.2	Very high	94.8	Very high	40 Å²	40	54.2 Å²	54.2	28%	0.28	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-39.2	173.3	64.3	0	0	0	0	110.9	V210 G211 H217 K235	V210-S219 PolarHBondContact O-N 3.31Å; V210-S219 PolarHBondContact O-OG 3.34Å; G211-S219 VanDerWaalsContact C-OG 3.28Å; G211-S219 PolarHBondContact O-OG 3.38Å; H217-S219 PolarHBondContact O-N 3.14Å; S219-K235 WeakPolarHBondContact O-CA 3.28Å
220	E	96.8	Very high	94.8	Very high	58 Å²	58	58.2 Å²	58.2	27%	0.271	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.3	-177.8	-63.2	179.7	150.3	0	0	111.6	V210 T233 V234 K235	V210-E220 HydrophobicContact CB-CB 3.99Å; V210-E220 WeakPolarHBondContact CB-O 3.46Å; V210-E220 HydrophobicContact CG2-CB 4.4Å; V210-E220 PolarHBondContact N-O 3.19Å; V210-E220 PolarHBondContact O-N 3.11Å; E220-T233 HydrophobicContact CB-CG2 3.58Å; E220-T233 HydrophobicContact CG-CG2 4.08Å; E220-T233 WeakPolarHBondContact OE2-CG2 3.32Å; E220-V234 CarbonylContact C-O 3.57Å; E220-V234 WeakPolarHBondContact CA-O 3.26Å; E220-K235 HydrophobicContact CG-CG 3.61Å; E220-K235 WeakPolarHBondContact OE1-CE 3.33Å
221	V	97.5	Very high	94.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.7	177.2	-174.7	0	0	0	0	109	L152 I206 L209 I218 L223 T233 V234 F236 V239	L152-V221 HydrophobicContact CD2-CB 4.02Å; L152-V221 HydrophobicContact CD2-CG1 3.69Å; L152-V221 HydrophobicContact CD2-CG2 3.89Å; I206-V221 HydrophobicContact CB-CG1 4.33Å; I206-V221 HydrophobicContact CD1-CG1 4.37Å; I206-V221 HydrophobicContact CG1-CG1 3.94Å; I206-V221 HydrophobicContact CG2-CG1 3.77Å; L209-V221 HydrophobicContact CD2-CG1 4.2Å; L209-V221 HydrophobicContact CD2-CG2 4.09Å; I218-V221 HydrophobicContact CG2-CG2 3.81Å; V221-L223 HydrophobicContact CG1-CD2 3.77Å; V221-L223 HydrophobicContact CG1-CG 4.4Å; V221-L223 PolarHBondContact O-N 3.45Å; V221-T233 WeakPolarHBondContact O-CA 3.34Å; V221-V234 PolarHBondContact N-O 2.96Å; V221-V234 PolarHBondContact O-N 3.34Å; V221-F236 HydrophobicContact CB-CD2 4.03Å; V221-F236 HydrophobicContact CB-CE2 4.39Å; V221-F236 HydrophobicContact CG2-CD2 3.81Å; V221-V239 HydrophobicContact CG2-CG2 3.79Å
222	V	97.4	Very high	95	Very high	18 Å²	18	65.3 Å²	65.3	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.8	171.9	-176.4	0	0	0	0	108.1	K207 Y208 V210 R231	K207-V222 HydrophobicContact CB-CG1 4.38Å; K207-V222 PolarHBondContact N-O 3.22Å; Y208-V222 HydrophobicContact CD2-CB 4.34Å; Y208-V222 HydrophobicContact CD2-CG1 4.33Å; Y208-V222 PolarHBondContact N-O 2.86Å; Y208-V222 PolarHBondContact O-N 3.41Å; V210-V222 HydrophobicContact CG2-CG2 4.02Å; V222-R231 HydrophobicContact CG1-CB 4.25Å; V222-R231 HydrophobicContact CG1-CG 4.49Å
223	L	97.7	Very high	95.2	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.5	176.1	-61.1	-178.6	0	0	0	109.6	L152 V177 T204 R205 I206 V221 R231 H232 V234	L152-L223 HydrophobicContact CD2-CD2 4.18Å; V177-L223 HydrophobicContact CG1-CD1 3.98Å; V177-L223 HydrophobicContact CG1-CD2 4.04Å; T204-L223 HydrophobicContact CG2-CB 3.87Å; T204-L223 HydrophobicContact CG2-CD1 4.45Å; T204-L223 HydrophobicContact CG2-CD2 4.45Å; T204-L223 HydrophobicContact CG2-CG 4.49Å; R205-L223 WeakPolarHBondContact O-CA 3.24Å; I206-L223 HydrophobicContact CG1-CD2 4.07Å; V221-L223 HydrophobicContact CG1-CD2 3.77Å; V221-L223 HydrophobicContact CG1-CG 4.4Å; V221-L223 PolarHBondContact O-N 3.45Å; L223-R231 VanDerWaalsContact O-CA 3.24Å; L223-R231 WeakPolarHBondContact O-CA 3.01Å; L223-H232 PolarHBondContact N-O 2.96Å; L223-H232 PolarHBondContact O-N 2.74Å; L223-V234 HydrophobicContact CD1-CG2 4.31Å
224	E	97.7	Very high	95.4	Very high	10 Å²	10	60 Å²	60	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.5	179.5	-176.7	-179.3	-108.5	0	0	109.8	T204 R205 K207 D230 R231	T204-E224 WeakPolarHBondContact CA-O 3.46Å; R205-E224 HydrophobicContact CG-CB 4.33Å; R205-E224 IonicContact CZ-OE2 3Å; R205-E224 PolarHBondContact N-O 2.83Å; R205-E224 IonicContact NE-OE2 2.85Å; R205-E224 PolarHBondContact NE-OE2 3.46Å; R205-E224 IonicContact NH2-OE2 3.65Å; R205-E224 PolarHBondContact NH2-OE2 3.49Å; R205-E224 PolarHBondContact O-N 3.24Å; K207-E224 HydrophobicContact CB-CB 3.88Å; K207-E224 HydrophobicContact CG-CB 4.39Å; K207-E224 IonicContact NZ-OE1 2.94Å; K207-E224 IonicContact NZ-OE2 2.81Å; E224-D230 WeakPolarHBondContact CA-O 3.24Å; E224-R231 HydrophobicContact CB-CG 4.17Å; E224-R231 HydrophobicContact CG-CG 4.11Å; E224-R231 IonicContact OE1-CZ 2.87Å; E224-R231 VanDerWaalsContact OE1-CZ 3.31Å; E224-R231 IonicContact OE1-NE 2.76Å; E224-R231 PolarHBondContact OE1-NE 2.87Å; E224-R231 IonicContact OE1-NH2 3.77Å; E224-R231 PolarHBondContact OE1-NH2 3.28Å
225	H	97.4	Very high	95.7	Very high	54 Å²	54	62.2 Å²	62.2	25%	0.25	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.1	170.4	-169.6	-83.4	0	0	0	109.4	K203 E227 S228 G229 D230	K203-H225 WeakPolarHBondContact CB-NE2 3.49Å; K203-H225 CarbonylContact O-C 3.56Å; K203-H225 VanDerWaalsContact O-CA 3.29Å; K203-H225 WeakPolarHBondContact O-CA 3.48Å; H225-E227 VanDerWaalsContact C-N 3.29Å; H225-E227 IonicContact CE1-OE2 3.55Å; H225-E227 PolarHBondContact ND1-N 2.64Å; H225-E227 PolarHBondContact O-N 2.78Å; H225-S228 PolarHBondContact ND1-N 3.39Å; H225-G229 VanDerWaalsContact O-CA 3.26Å; H225-G229 WeakPolarHBondContact O-CA 3.19Å; H225-G229 PolarHBondContact O-N 2.93Å; H225-D230 PolarHBondContact N-O 2.77Å
226	V	94.3	Very high	96.1	Very high	53 Å²	53	57.5 Å²	57.5	32%	0.321	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.5	-167.2	-60.4	0	0	0	0	113.7	R179 K203 R205	R179-V226 HydrophobicContact CG-CG1 4.43Å; K203-V226 HydrophobicContact CB-CG2 3.83Å; K203-V226 HydrophobicContact CG-CG2 4.39Å; K203-V226 WeakPolarHBondContact O-CG2 3.26Å; K203-V226 PolarHBondContact O-N 3.13Å; R205-V226 HydrophobicContact CB-CG1 4.4Å; R205-V226 HydrophobicContact CG-CG1 4.18Å
227	E	93.5	Very high	96.4	Very high	129 Å²	129	57.6 Å²	57.6	60%	0.603	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-59.8	179.5	-65	174.8	170.8	0	0	112.4	K203 H225 G229	K203-E227 HydrophobicContact CD-CG 4.37Å; K203-E227 WeakPolarHBondContact CD-OE2 3.5Å; K203-E227 WeakPolarHBondContact CE-OE1 3.39Å; K203-E227 IonicContact NZ-OE1 3.99Å; K203-E227 PolarHBondContact NZ-OE1 3Å; K203-E227 IonicContact NZ-OE2 3.16Å; K203-E227 PolarHBondContact NZ-OE2 2.83Å; H225-E227 VanDerWaalsContact C-N 3.29Å; H225-E227 IonicContact CE1-OE2 3.55Å; H225-E227 PolarHBondContact ND1-N 2.64Å; H225-E227 PolarHBondContact O-N 2.78Å; E227-G229 VanDerWaalsContact C-N 3.34Å; E227-G229 PolarHBondContact O-N 2.71Å
228	S	95	Very high	96.6	Very high	66 Å²	66	54 Å²	54	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.4	-179.5	64.2	0	0	0	0	114.3	H225 D230	H225-S228 PolarHBondContact ND1-N 3.39Å; S228-D230 WeakPolarHBondContact CB-OD2 3.48Å; S228-D230 PolarHBondContact O-N 3.15Å; S228-D230 WeakPolarHBondContact OG-CB 3.48Å; S228-D230 PolarHBondContact OG-N 3.13Å; S228-D230 PolarHBondContact OG-OD2 2.95Å
229	G	94.9	Very high	96.6	Very high	35 Å²	35	53.8 Å²	53.8	36%	0.361	28%	0.282	S	S	.	.			trans	74.4	5.8	-171.9	0	0	0	0	0	114	H225 E227	H225-G229 VanDerWaalsContact O-CA 3.26Å; H225-G229 WeakPolarHBondContact O-CA 3.19Å; H225-G229 PolarHBondContact O-N 2.93Å; E227-G229 VanDerWaalsContact C-N 3.34Å; E227-G229 PolarHBondContact O-N 2.71Å
230	D	96.1	Very high	96.8	Very high	107 Å²	107	51.9 Å²	51.9	57%	0.572	27%	0.269	S	S	*	.			trans	-61.5	137.5	178.2	-66.4	-41.8	0	0	0	110.8	E224 H225 S228	E224-D230 WeakPolarHBondContact CA-O 3.24Å; H225-D230 PolarHBondContact N-O 2.77Å; S228-D230 WeakPolarHBondContact CB-OD2 3.48Å; S228-D230 PolarHBondContact O-N 3.15Å; S228-D230 WeakPolarHBondContact OG-CB 3.48Å; S228-D230 PolarHBondContact OG-N 3.13Å; S228-D230 PolarHBondContact OG-OD2 2.95Å
231	R	96.9	Very high	96.7	Very high	142 Å²	142	49.2 Å²	49.2	54%	0.536	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141	-176.6	-63.5	179.8	-175.8	163.8	5.9	111.3	V222 L223 E224	V222-R231 HydrophobicContact CG1-CB 4.25Å; V222-R231 HydrophobicContact CG1-CG 4.49Å; L223-R231 VanDerWaalsContact O-CA 3.24Å; L223-R231 WeakPolarHBondContact O-CA 3.01Å; E224-R231 HydrophobicContact CB-CG 4.17Å; E224-R231 HydrophobicContact CG-CG 4.11Å; E224-R231 IonicContact OE1-CZ 2.87Å; E224-R231 VanDerWaalsContact OE1-CZ 3.31Å; E224-R231 IonicContact OE1-NE 2.76Å; E224-R231 PolarHBondContact OE1-NE 2.87Å; E224-R231 IonicContact OE1-NH2 3.77Å; E224-R231 PolarHBondContact OE1-NH2 3.28Å
232	H	95.8	Very high	96.6	Very high	77 Å²	77	50 Å²	50	36%	0.356	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.4	171	55.4	-77.9	0	0	0	110	L223	L223-H232 PolarHBondContact N-O 2.96Å; L223-H232 PolarHBondContact O-N 2.74Å
233	T	97.2	Very high	96.4	Very high	77 Å²	77	51.5 Å²	51.5	47%	0.472	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.6	-178.8	-56.9	0	0	0	0	108.9	E220 V221	E220-T233 HydrophobicContact CB-CG2 3.58Å; E220-T233 HydrophobicContact CG-CG2 4.08Å; E220-T233 WeakPolarHBondContact OE2-CG2 3.32Å; V221-T233 WeakPolarHBondContact O-CA 3.34Å
234	V	97.2	Very high	95.8	Very high	44 Å²	44	52.9 Å²	52.9	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.9	-176.7	-172.5	0	0	0	0	109.8	E220 V221 L223 F236	E220-V234 CarbonylContact C-O 3.57Å; E220-V234 WeakPolarHBondContact CA-O 3.26Å; V221-V234 PolarHBondContact N-O 2.96Å; V221-V234 PolarHBondContact O-N 3.34Å; L223-V234 HydrophobicContact CD1-CG2 4.31Å; V234-F236 HydrophobicContact CB-CD2 4.29Å; V234-F236 HydrophobicContact CB-CE2 3.63Å; V234-F236 HydrophobicContact CB-CZ 4.14Å; V234-F236 HydrophobicContact CG1-CD2 4.24Å; V234-F236 HydrophobicContact CG1-CE1 4.33Å; V234-F236 HydrophobicContact CG1-CE2 3.58Å; V234-F236 HydrophobicContact CG1-CZ 3.63Å
235	K	97.6	Very high	95	Very high	147 Å²	147	55 Å²	55	64%	0.639	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.1	174.9	-73	178.9	179.5	-172.2	0	111.1	S219 E220	S219-K235 WeakPolarHBondContact O-CA 3.28Å; E220-K235 HydrophobicContact CG-CG 3.61Å; E220-K235 WeakPolarHBondContact OE1-CE 3.33Å
236	F	97.7	Very high	93.7	Very high	12 Å²	12	56.4 Å²	56.4	5%	0.053	30%	0.301	C	S	.	.			trans	-142.2	142.6	173.2	-68.1	-73.1	0	0	0	109.8	D150 L152 T175 V221 V234	D150-F236 HydrophobicContact CB-CD1 4.49Å; L152-F236 HydrophobicContact CB-CB 4.32Å; L152-F236 HydrophobicContact CB-CD1 3.74Å; L152-F236 HydrophobicContact CB-CD2 3.79Å; L152-F236 HydrophobicContact CB-CE1 3.9Å; L152-F236 HydrophobicContact CB-CE2 3.92Å; L152-F236 HydrophobicContact CB-CG 3.68Å; L152-F236 HydrophobicContact CB-CZ 3.98Å; L152-F236 HydrophobicContact CD1-CE1 4.43Å; L152-F236 HydrophobicContact CD1-CE2 4.01Å; L152-F236 HydrophobicContact CD1-CZ 3.88Å; L152-F236 HydrophobicContact CD2-CD2 4Å; L152-F236 HydrophobicContact CD2-CE2 3.91Å; L152-F236 HydrophobicContact CG-CD2 4.37Å; L152-F236 HydrophobicContact CG-CE2 4.17Å; L152-F236 HydrophobicContact CG-CZ 4.35Å; T175-F236 HydrophobicContact CG2-CZ 4.21Å; V221-F236 HydrophobicContact CB-CD2 4.03Å; V221-F236 HydrophobicContact CB-CE2 4.39Å; V221-F236 HydrophobicContact CG2-CD2 3.81Å; V234-F236 HydrophobicContact CB-CD2 4.29Å; V234-F236 HydrophobicContact CB-CE2 3.63Å; V234-F236 HydrophobicContact CB-CZ 4.14Å; V234-F236 HydrophobicContact CG1-CD2 4.24Å; V234-F236 HydrophobicContact CG1-CE1 4.33Å; V234-F236 HydrophobicContact CG1-CE2 3.58Å; V234-F236 HydrophobicContact CG1-CZ 3.63Å
237	D	97.4	Very high	92.4	Very high	54 Å²	54	63.6 Å²	63.6	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	-77.8	-38.7	174.1	-73.4	-78.9	0	0	0	111.8	N135 K149 D150	N135-D237 WeakPolarHBondContact CB-O 3.39Å; N135-D237 PolarHBondContact ND2-O 3.27Å; K149-D237 HydrophobicContact CB-CB 3.88Å; K149-D237 HydrophobicContact CD-CB 3.86Å; K149-D237 HydrophobicContact CG-CB 4.12Å; K149-D237 IonicContact NZ-OD1 2.81Å; K149-D237 PolarHBondContact NZ-OD1 3.06Å; D150-D237 PolarHBondContact N-OD2 3.44Å; D150-D237 PolarHBondContact O-N 3.08Å
238	D	98	Very high	90.7	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.027	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.7	-178.9	-73.4	-84.9	0	0	0	111.2	H137 R145 F146 D150 L152	H137-D238 IonicContact CD2-OD1 2.84Å; H137-D238 IonicContact CE1-OD1 3.99Å; H137-D238 IonicContact NE2-OD1 3.72Å; H137-D238 PolarHBondContact NE2-OD1 2.94Å; R145-D238 IonicContact CZ-OD1 3.91Å; R145-D238 VanDerWaalsContact CZ-OD1 3.3Å; R145-D238 IonicContact NE-OD1 3.3Å; R145-D238 PolarHBondContact NE-OD1 3.28Å; R145-D238 IonicContact NE-OD2 2.63Å; R145-D238 IonicContact NH2-OD1 2.83Å; R145-D238 PolarHBondContact NH2-OD1 2.82Å; F146-D238 HydrophobicContact CD1-CB 3.95Å; F146-D238 HydrophobicContact CE1-CB 3.82Å; D150-D238 PolarHBondContact O-N 3.33Å; L152-D238 PolarHBondContact N-O 3.44Å
239	V	98	Very high	89.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126	176.8	-177.5	0	0	0	0	109.5	N135 L136 H137 L152 I206 I218 V221 I241	N135-V239 PolarHBondContact O-N 2.86Å; L136-V239 CarbonylContact C-O 3.46Å; L136-V239 WeakPolarHBondContact CA-O 3.42Å; L136-V239 HydrophobicContact CD1-CB 3.94Å; L136-V239 HydrophobicContact CD1-CG1 3.78Å; H137-V239 PolarHBondContact N-O 3.29Å; L152-V239 HydrophobicContact CB-CG2 4.38Å; L152-V239 HydrophobicContact CD2-CG1 4.25Å; L152-V239 HydrophobicContact CD2-CG2 4.43Å; L152-V239 CarbonylContact O-C 3.55Å; L152-V239 WeakPolarHBondContact O-CA 3.4Å; I206-V239 HydrophobicContact CD1-CG1 3.86Å; I218-V239 HydrophobicContact CD1-CB 3.98Å; I218-V239 HydrophobicContact CD1-CG2 3.75Å; I218-V239 HydrophobicContact CG2-CG2 4.15Å; V221-V239 HydrophobicContact CG2-CG2 3.79Å; V239-I241 HydrophobicContact CG1-CD1 3.88Å
240	I	97.8	Very high	88.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	176.8	-55.1	170.7	0	0	0	109.4	H137 V140 F146 V151 L152 I153 S154 W163 I167	H137-I240 HydrophobicContact CB-CG1 4.27Å; H137-I240 CarbonylContact O-C 3.55Å; H137-I240 VanDerWaalsContact O-CA 3.29Å; H137-I240 WeakPolarHBondContact O-CA 3.28Å; V140-I240 HydrophobicContact CG2-CD1 3.88Å; V140-I240 HydrophobicContact CG2-CG2 4.41Å; F146-I240 HydrophobicContact CE1-CD1 4.02Å; F146-I240 HydrophobicContact CE1-CG1 4.29Å; F146-I240 HydrophobicContact CE2-CD1 4.18Å; F146-I240 HydrophobicContact CZ-CD1 3.75Å; F146-I240 HydrophobicContact CZ-CG1 4.2Å; V151-I240 HydrophobicContact CG1-CD1 3.93Å; V151-I240 HydrophobicContact CG1-CG1 4.34Å; L152-I240 PolarHBondContact O-N 3.48Å; I153-I240 CarbonylContact C-O 3.56Å; I153-I240 WeakPolarHBondContact CA-O 3.17Å; I153-I240 HydrophobicContact CD1-CD1 4.31Å; I153-I240 HydrophobicContact CG1-CB 4.18Å; I153-I240 HydrophobicContact CG1-CD1 4.09Å; S154-I240 PolarHBondContact N-O 3.13Å; W163-I240 HydrophobicContact CE3-CG2 3.56Å; W163-I240 HydrophobicContact CZ3-CG2 3.57Å; I167-I240 HydrophobicContact CD1-CD1 3.38Å
241	I	96.7	Very high	88.4	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.3	177.3	-51.3	-58.4	0	0	0	109.3	L123 L136 H137 Y138 I206 V239 H243	L123-I241 HydrophobicContact CB-CD1 4.28Å; L123-I241 HydrophobicContact CB-CG1 4.2Å; L123-I241 HydrophobicContact CB-CG2 4.44Å; L123-I241 HydrophobicContact CD1-CD1 4.23Å; L123-I241 HydrophobicContact CD2-CD1 3.91Å; L123-I241 HydrophobicContact CD2-CG1 4.5Å; L123-I241 HydrophobicContact CG-CD1 4.35Å; L136-I241 HydrophobicContact CD1-CD1 4.07Å; L136-I241 HydrophobicContact CD1-CG1 3.66Å; H137-I241 PolarHBondContact O-N 3.44Å; Y138-I241 HydrophobicContact CD1-CB 3.66Å; Y138-I241 HydrophobicContact CD1-CG1 4.39Å; Y138-I241 HydrophobicContact CD1-CG2 3.97Å; Y138-I241 HydrophobicContact CE1-CB 3.59Å; Y138-I241 HydrophobicContact CE1-CG1 3.97Å; Y138-I241 HydrophobicContact CE1-CG2 3.66Å; I206-I241 HydrophobicContact CD1-CD1 3.8Å; V239-I241 HydrophobicContact CG1-CD1 3.88Å; I241-H243 HydrophobicContact CG2-CB 4.42Å
242	S	94.4	Very high	88	Confident	16 Å²	16	48.5 Å²	48.5	11%	0.112	25%	0.248	C	C	.	.			trans	-121.8	63.5	178.7	178.4	0	0	0	0	110.6	S154 A160 G244	S154-S242 CarbonylContact O-C 3.59Å; S154-S242 PolarHBondContact O-N 2.81Å; A160-S242 PolarHBondContact N-OG 3.41Å; S242-G244 VanDerWaalsContact C-N 3.3Å
243	H	92.3	Very high	87.5	Confident	49 Å²	49	48.6 Å²	48.6	23%	0.227	26%	0.258	C	S	.	.			trans	-91.1	6.4	-179.9	-66.8	-176.6	0	0	0	113.4	K121 S154 I241	K121-H243 HydrophobicContact CB-CB 3.94Å; K121-H243 WeakPolarHBondContact CD-O 3.33Å; S154-H243 WeakPolarHBondContact CB-NE2 3.22Å; S154-H243 PolarHBondContact O-CD2 3.13Å; S154-H243 PolarHBondContact O-NE2 2.92Å; S154-H243 PolarHBondContact OG-NE2 3.35Å; I241-H243 HydrophobicContact CG2-CB 4.42Å
244	G	86.1	Confident	87.1	Confident	32 Å²	32	50.6 Å²	50.6	33%	0.33	26%	0.262	S	S	.	.			trans	90.3	-166.7	-172.6	0	0	0	0	0	111.5	K121 S242	K121-G244 PolarHBondContact N-O 2.92Å; S242-G244 VanDerWaalsContact C-N 3.3Å
245	F	80.3	Confident	86.9	Confident	55 Å²	55	48.6 Å²	48.6	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.8	-176.2	-62.9	-96.2	0	0	0	110.2	I42 I118 N119 P120	I42-F245 HydrophobicContact CB-CZ 4.5Å; I42-F245 HydrophobicContact CD1-CE1 4.34Å; I42-F245 HydrophobicContact CD1-CZ 4.47Å; I42-F245 HydrophobicContact CG1-CE1 4.2Å; I42-F245 HydrophobicContact CG1-CZ 4.27Å; I42-F245 HydrophobicContact CG2-CE1 4.31Å; I42-F245 HydrophobicContact CG2-CE2 3.97Å; I42-F245 HydrophobicContact CG2-CZ 3.55Å; I118-F245 HydrophobicContact CG2-CB 3.61Å; I118-F245 HydrophobicContact CG2-CD1 3.23Å; I118-F245 HydrophobicContact CG2-CD2 4.37Å; I118-F245 HydrophobicContact CG2-CE1 3.98Å; I118-F245 HydrophobicContact CG2-CG 3.48Å; I118-F245 VanDerWaalsContact CG2-CG 3.48Å; N119-F245 CarbonylContact O-C 3.5Å; N119-F245 VanDerWaalsContact O-CA 3.25Å; N119-F245 WeakPolarHBondContact O-CA 3.17Å; P120-F245 HydrophobicContact CB-CD1 4.21Å; P120-F245 HydrophobicContact CB-CE1 4.02Å; P120-F245 HydrophobicContact CG-CD1 4.18Å; P120-F245 HydrophobicContact CG-CE1 3.78Å
246	D	70.3	Confident	86.9	Confident	83 Å²	83	45 Å²	45	44%	0.444	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.8	163.6	-68.1	-38.8	0	0	0	108.1	N119 K121	N119-D246 PolarHBondContact N-O 3.37Å; N119-D246 PolarHBondContact O-N 3.34Å; K121-D246 WeakPolarHBondContact CE-OD1 3.39Å; K121-D246 IonicContact NZ-OD1 2.57Å
247	R	66.9	Low	86.7	Confident	203 Å²	203	44.9 Å²	44.9	77%	0.766	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.8	170.2	-64.5	-176.9	-176.3	-176.6	1	106.5
248	C	57.8	Low	86.6	Confident	52 Å²	52	48.2 Å²	48.2	35%	0.351	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.5	173.2	-169.1	0	0	0	0	108.3	I117	I117-C248 PolarHBondContact N-O 3.3Å; I117-C248 PolarHBondContact O-N 2.74Å
249	N	69.9	Low	86.5	Confident	42 Å²	42	48.8 Å²	48.8	23%	0.225	26%	0.258	C	S	.	.			trans	-141.6	71.4	170.5	-171.3	12.1	0	0	0	110.3	I113 L251	I113-N249 VanDerWaalsContact CD1-ND2 3.32Å; I113-N249 WeakPolarHBondContact CD1-ND2 3.24Å; I113-N249 VanDerWaalsContact CD1-OD1 3.3Å; I113-N249 WeakPolarHBondContact CD1-OD1 3.48Å; N249-L251 VanDerWaalsContact C-N 3.27Å
250	T	79.6	Confident	86.4	Confident	47 Å²	47	52.3 Å²	52.3	29%	0.288	28%	0.277	S	S	.	.			trans	-77.5	-15.8	176.8	68.5	0	0	0	0	112.7	L252 S253 E254	T250-L252 VanDerWaalsContact C-N 3.3Å; T250-L252 PolarHBondContact O-N 3.31Å; T250-S253 WeakPolarHBondContact CA-OG 3.19Å; T250-S253 PolarHBondContact O-N 3.05Å; T250-S253 VanDerWaalsContact O-N 3.12Å; T250-S253 PolarHBondContact O-OG 3.12Å; T250-E254 WeakPolarHBondContact CB-OE1 3.39Å; T250-E254 WeakPolarHBondContact CB-OE2 3.48Å; T250-E254 VanDerWaalsContact O-CB 3.28Å; T250-E254 WeakPolarHBondContact O-CB 3.18Å; T250-E254 WeakPolarHBondContact O-CG 3.48Å; T250-E254 PolarHBondContact O-N 3.4Å; T250-E254 PolarHBondContact OG1-OE2 3.2Å
251	L	89.5	Confident	86.2	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-52	-47.6	-177.6	176.3	59.8	0	0	0	111.8	I7 V83 I86 I113 N249 E254 T255	I7-L251 HydrophobicContact CG2-CD2 4.27Å; V83-L251 HydrophobicContact CB-CD2 4.36Å; V83-L251 HydrophobicContact CG1-CD1 3.9Å; V83-L251 HydrophobicContact CG1-CD2 4.11Å; I86-L251 HydrophobicContact CD1-CD2 4.44Å; I86-L251 HydrophobicContact CG1-CD1 4.4Å; I113-L251 HydrophobicContact CD1-CD2 4.22Å; N249-L251 VanDerWaalsContact C-N 3.27Å; L251-E254 PolarHBondContact O-N 3.2Å; L251-T255 WeakPolarHBondContact O-CB 3.44Å; L251-T255 WeakPolarHBondContact O-CG2 3.45Å; L251-T255 PolarHBondContact O-N 3.45Å
252	L	88.3	Confident	86	Confident	11 Å²	11	59 Å²	59	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-72	-32.1	-176.8	-62.3	-171.2	0	0	0	113.6	I111 I113 T250 L259 M261 V267 I286	I111-L252 HydrophobicContact CD1-CD2 4.09Å; I111-L252 HydrophobicContact CG2-CD2 4.42Å; I113-L252 HydrophobicContact CD1-CD2 4.39Å; I113-L252 HydrophobicContact CD1-CG 4.23Å; T250-L252 VanDerWaalsContact C-N 3.3Å; T250-L252 PolarHBondContact O-N 3.31Å; L252-L259 HydrophobicContact CD2-CD1 4.14Å; L252-M261 HydrophobicContact CB-CE 4.05Å; L252-M261 HydrophobicContact CB-SD 4.27Å; L252-M261 HydrophobicContact CD1-CE 3.66Å; L252-M261 HydrophobicContact CD1-SD 4.19Å; L252-V267 HydrophobicContact CD1-CG2 3.51Å; L252-V267 HydrophobicContact CD2-CG2 4.09Å; L252-V267 HydrophobicContact CG-CG2 4.47Å; L252-I286 HydrophobicContact CD1-CD1 3.59Å; L252-I286 HydrophobicContact CD1-CG1 3.92Å
253	S	85.1	Confident	85.8	Confident	80 Å²	80	60.7 Å²	60.7	56%	0.559	32%	0.317	S	S	*	.	H	α-helix	trans	-76.7	-34.2	176.1	49.5	0	0	0	0	112.3	T250 K258	T250-S253 WeakPolarHBondContact CA-OG 3.19Å; T250-S253 PolarHBondContact O-N 3.05Å; T250-S253 VanDerWaalsContact O-N 3.12Å; T250-S253 PolarHBondContact O-OG 3.12Å; S253-K258 PolarHBondContact O-NZ 2.86Å
254	E	88.4	Confident	85.3	Confident	119 Å²	119	66.1 Å²	66.1	56%	0.556	35%	0.347	S	S	*	.	H	α-helix	trans	-96	-28.8	-169.4	-67.2	174.8	172.3	0	0	113	T250 L251 K258	T250-E254 WeakPolarHBondContact CB-OE1 3.39Å; T250-E254 WeakPolarHBondContact CB-OE2 3.48Å; T250-E254 VanDerWaalsContact O-CB 3.28Å; T250-E254 WeakPolarHBondContact O-CB 3.18Å; T250-E254 WeakPolarHBondContact O-CG 3.48Å; T250-E254 PolarHBondContact O-N 3.4Å; T250-E254 PolarHBondContact OG1-OE2 3.2Å; L251-E254 PolarHBondContact O-N 3.2Å; E254-K258 PolarHBondContact O-NZ 2.99Å
255	T	93.3	Very high	85.2	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.012	36%	0.358	C	S	.	.			trans	-51.5	141.1	-176.9	-177.2	0	0	0	0	113.6	D85 I86 L251 S257 K258	D85-T255 WeakPolarHBondContact OD1-CA 3.48Å; D85-T255 PolarHBondContact OD1-OG1 3.16Å; I86-T255 PolarHBondContact N-OG1 2.91Å; I86-T255 VanDerWaalsContact N-OG1 3.13Å; I86-T255 PolarHBondContact O-OG1 3.22Å; I86-T255 VanDerWaalsContact O-OG1 3.13Å; L251-T255 WeakPolarHBondContact O-CB 3.44Å; L251-T255 WeakPolarHBondContact O-CG2 3.45Å; L251-T255 PolarHBondContact O-N 3.45Å; T255-S257 VanDerWaalsContact C-N 3.25Å; T255-S257 VanDerWaalsContact CG2-O 3.32Å; T255-S257 WeakPolarHBondContact CG2-O 3.19Å; T255-S257 PolarHBondContact O-N 2.9Å; T255-S257 PolarHBondContact OG1-N 3.26Å; T255-K258 VanDerWaalsContact O-CD 3.27Å; T255-K258 WeakPolarHBondContact O-CD 3.39Å; T255-K258 WeakPolarHBondContact O-CE 3.47Å; T255-K258 PolarHBondContact O-NZ 2.99Å
256	S	96.3	Very high	85.7	Confident	72 Å²	72	69 Å²	69	50%	0.503	36%	0.358	S	S	.	.	S	Bend	trans	-61.2	-34	173.3	-65.1	0	0	0	0	111.9	D85 K258	D85-S256 VanDerWaalsContact OD1-CB 3.28Å; D85-S256 WeakPolarHBondContact OD1-CB 3.24Å; D85-S256 PolarHBondContact OD1-N 2.89Å; D85-S256 PolarHBondContact OD1-OG 3.45Å; D85-S256 PolarHBondContact OD2-OG 2.98Å; S256-K258 PolarHBondContact O-N 3.08Å; S256-K258 VanDerWaalsContact O-N 3.1Å
257	S	95.4	Very high	86.8	Confident	8 Å²	8	65.1 Å²	65.1	6%	0.056	34%	0.337	C	S	.	.	S	Bend	trans	-81.7	83.4	174.7	-62.6	0	0	0	0	110.1	I86 K88 T255 L259	I86-S257 WeakPolarHBondContact O-CB 3.44Å; I86-S257 PolarHBondContact O-N 3.43Å; I86-S257 PolarHBondContact O-OG 2.83Å; K88-S257 PolarHBondContact N-OG 3.27Å; T255-S257 VanDerWaalsContact C-N 3.25Å; T255-S257 VanDerWaalsContact CG2-O 3.32Å; T255-S257 WeakPolarHBondContact CG2-O 3.19Å; T255-S257 PolarHBondContact O-N 2.9Å; T255-S257 PolarHBondContact OG1-N 3.26Å; S257-L259 PolarHBondContact O-N 3.18Å
258	K	95.2	Very high	88.2	Confident	125 Å²	125	59.8 Å²	59.8	54%	0.543	32%	0.32	S	S	.	.			trans	-66.1	104.8	-178.2	-60.7	-59.7	178.8	-159.4	0	111.6	S253 E254 T255 S256	S253-K258 PolarHBondContact O-NZ 2.86Å; E254-K258 PolarHBondContact O-NZ 2.99Å; T255-K258 VanDerWaalsContact O-CD 3.27Å; T255-K258 WeakPolarHBondContact O-CD 3.39Å; T255-K258 WeakPolarHBondContact O-CE 3.47Å; T255-K258 PolarHBondContact O-NZ 2.99Å; S256-K258 PolarHBondContact O-N 3.08Å; S256-K258 VanDerWaalsContact O-N 3.1Å
259	L	94.9	Very high	90	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.089	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-84.9	151.9	178	-62	170.9	0	0	0	110.9	I111 L252 S257 M261 V267 T275 I277 I280	I111-L259 HydrophobicContact CD1-CD1 3.56Å; L252-L259 HydrophobicContact CD2-CD1 4.14Å; S257-L259 PolarHBondContact O-N 3.18Å; L259-M261 PolarHBondContact O-N 3.03Å; L259-V267 HydrophobicContact CB-CG1 4.36Å; L259-V267 HydrophobicContact CD1-CG1 4.33Å; L259-V267 HydrophobicContact CD1-CG2 4.06Å; L259-T275 HydrophobicContact CD2-CG2 4.44Å; L259-T275 WeakPolarHBondContact CD2-OG1 3.26Å; L259-I277 HydrophobicContact CD2-CB 4.03Å; L259-I277 HydrophobicContact CD2-CD1 3.73Å; L259-I277 HydrophobicContact CD2-CG1 3.86Å; L259-I277 HydrophobicContact CG-CD1 4.47Å; L259-I280 HydrophobicContact CD1-CG2 4.39Å; L259-I280 HydrophobicContact CD2-CB 4.41Å; L259-I280 HydrophobicContact CD2-CD1 4.48Å; L259-I280 HydrophobicContact CD2-CG2 4.1Å
260	D	95.9	Very high	91.1	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.6	124.1	168.6	-73.6	20.6	0	0	0	108.3	K268 S276	D260-K268 HydrophobicContact CB-CB 4.12Å; D260-K268 HydrophobicContact CB-CD 4.35Å; D260-K268 WeakPolarHBondContact O-CB 3.32Å; D260-K268 PolarHBondContact O-N 3.24Å; D260-S276 PolarHBondContact N-OG 2.87Å; D260-S276 VanDerWaalsContact OD1-CB 3.29Å; D260-S276 WeakPolarHBondContact OD1-CB 3.49Å; D260-S276 PolarHBondContact OD1-OG 3.1Å
261	M	93.9	Very high	91.7	Very high	64 Å²	64	61 Å²	61	32%	0.315	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-100.5	141.9	179.9	-62.3	-56.8	-69.1	0	0	110.1	L252 L259 D263 R266 V267	L252-M261 HydrophobicContact CB-CE 4.05Å; L252-M261 HydrophobicContact CB-SD 4.27Å; L252-M261 HydrophobicContact CD1-CE 3.66Å; L252-M261 HydrophobicContact CD1-SD 4.19Å; L259-M261 PolarHBondContact O-N 3.03Å; M261-D263 WeakPolarHBondContact CB-O 3.44Å; M261-D263 WeakPolarHBondContact CE-O 3.3Å; M261-R266 VanDerWaalsContact CE-C 3.46Å; M261-R266 WeakPolarHBondContact CE-O 3.32Å; M261-V267 HydrophobicContact SD-CG2 4.1Å
262	H	92.3	Very high	91.9	Very high	78 Å²	78	63.3 Å²	63.3	36%	0.361	34%	0.344	S	S	.	.	S	Bend	trans	-80.3	-41	169	172.6	67.2	0	0	0	110.6	R266 K268 Y288	H262-R266 PolarHBondContact N-O 2.91Å; H262-K268 HydrophobicContact CB-CB 4.36Å; H262-Y288 HydrophobicContact CB-CD1 4.11Å; H262-Y288 HydrophobicContact CB-CG 4.22Å; H262-Y288 AromaticContact CD2-CD1 3.62Å; H262-Y288 AromaticContact CD2-CD2 3.82Å; H262-Y288 AromaticContact CD2-CG 3.42Å; H262-Y288 VanDerWaalsContact CD2-CG 3.42Å; H262-Y288 AromaticContact CE1-CD1 3.46Å; H262-Y288 VanDerWaalsContact CE1-CD1 3.46Å; H262-Y288 WeakPolarHBondContact CE1-CD1 3.49Å; H262-Y288 AromaticContact CE1-CE1 3.32Å; H262-Y288 WeakPolarHBondContact CE1-CE1 3.19Å; H262-Y288 AromaticContact CE1-CG 3.99Å; H262-Y288 AromaticContact CE1-CZ 3.71Å; H262-Y288 AromaticContact CG-CD1 3.4Å; H262-Y288 AromaticContact CG-CG 3.6Å; H262-Y288 AromaticContact ND1-CD1 3.31Å; H262-Y288 VanDerWaalsContact ND1-CD1 3.31Å; H262-Y288 WeakPolarHBondContact ND1-CD1 3.4Å; H262-Y288 AromaticContact ND1-CE1 3.57Å; H262-Y288 AromaticContact ND1-CG 3.96Å; H262-Y288 AromaticContact NE2-CD1 3.66Å; H262-Y288 AromaticContact NE2-CD2 3.76Å; H262-Y288 AromaticContact NE2-CE1 3.72Å; H262-Y288 AromaticContact NE2-CE2 3.79Å; H262-Y288 AromaticContact NE2-CG 3.69Å; H262-Y288 AromaticContact NE2-CZ 3.78Å
263	D	89.3	Confident	92.3	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.273	34%	0.341	S	S	.	.	S	Bend	trans	-150	-174.7	172.5	60.5	38.2	0	0	0	109.5	M261 C265 R266	M261-D263 WeakPolarHBondContact CB-O 3.44Å; M261-D263 WeakPolarHBondContact CE-O 3.3Å; D263-C265 PolarHBondContact O-N 2.57Å; D263-C265 WeakPolarHBondContact OD1-CA 3.33Å; D263-C265 WeakPolarHBondContact OD1-CB 3.29Å; D263-C265 PolarHBondContact OD1-N 3.24Å; D263-R266 PolarHBondContact O-N 2.81Å; D263-R266 WeakPolarHBondContact OD1-CB 3.47Å; D263-R266 PolarHBondContact OD1-N 2.85Å; D263-R266 IonicContact OD1-NE 2.74Å; D263-R266 IonicContact OD2-CZ 3.09Å; D263-R266 IonicContact OD2-NE 2.95Å; D263-R266 PolarHBondContact OD2-NE 2.94Å; D263-R266 IonicContact OD2-NH2 2.64Å; D263-R266 PolarHBondContact OD2-NH2 2.63Å
264	D	82.7	Confident	92.8	Very high	164 Å²	164	61 Å²	61	88%	0.877	33%	0.327	S	S	*	.	S	Bend	trans	-58.7	-14.3	-178	-61.3	-26.3	0	0	0	114.6
265	C	83.4	Confident	93.3	Very high	81 Å²	81	55.5 Å²	55.5	55%	0.547	30%	0.302	S	S	.	.	S	Bend	trans	-119.2	-24.4	-172.6	-67.1	0	0	0	0	113.9	D263 I286	D263-C265 PolarHBondContact O-N 2.57Å; D263-C265 WeakPolarHBondContact OD1-CA 3.33Å; D263-C265 WeakPolarHBondContact OD1-CB 3.29Å; D263-C265 PolarHBondContact OD1-N 3.24Å; C265-I286 VanDerWaalsContact O-CD1 3.26Å; C265-I286 WeakPolarHBondContact O-CD1 3.5Å
266	R	90.8	Very high	93.5	Very high	67 Å²	67	57.4 Å²	57.4	25%	0.253	32%	0.315	S	S	.	.			trans	-122.9	133.4	-167.3	-64.8	179.1	-71	173.6	4.1	112.5	M261 H262 D263 I286	M261-R266 VanDerWaalsContact CE-C 3.46Å; M261-R266 WeakPolarHBondContact CE-O 3.32Å; H262-R266 PolarHBondContact N-O 2.91Å; D263-R266 PolarHBondContact O-N 2.81Å; D263-R266 WeakPolarHBondContact OD1-CB 3.47Å; D263-R266 PolarHBondContact OD1-N 2.85Å; D263-R266 IonicContact OD1-NE 2.74Å; D263-R266 IonicContact OD2-CZ 3.09Å; D263-R266 IonicContact OD2-NE 2.95Å; D263-R266 PolarHBondContact OD2-NE 2.94Å; D263-R266 IonicContact OD2-NH2 2.64Å; D263-R266 PolarHBondContact OD2-NH2 2.63Å; R266-I286 CarbonylContact C-O 3.33Å; R266-I286 VanDerWaalsContact CA-O 3.3Å; R266-I286 WeakPolarHBondContact CA-O 3.34Å
267	V	94.3	Very high	93.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.4	173.1	-178	0	0	0	0	109.4	L252 L259 M261 G269 T275 A282 I286 Y288	L252-V267 HydrophobicContact CD1-CG2 3.51Å; L252-V267 HydrophobicContact CD2-CG2 4.09Å; L252-V267 HydrophobicContact CG-CG2 4.47Å; L259-V267 HydrophobicContact CB-CG1 4.36Å; L259-V267 HydrophobicContact CD1-CG1 4.33Å; L259-V267 HydrophobicContact CD1-CG2 4.06Å; M261-V267 HydrophobicContact SD-CG2 4.1Å; V267-G269 PolarHBondContact O-N 3.37Å; V267-T275 HydrophobicContact CG1-CG2 3.7Å; V267-A282 HydrophobicContact CB-CB 4.17Å; V267-A282 HydrophobicContact CG1-CB 4.26Å; V267-A282 HydrophobicContact CG2-CB 4.44Å; V267-I286 HydrophobicContact CG2-CG1 4.36Å; V267-I286 PolarHBondContact N-O 2.97Å; V267-Y288 PolarHBondContact O-N 2.68Å
268	K	96.1	Very high	93.7	Very high	92 Å²	92	58.7 Å²	58.7	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	112	173.2	-173.1	179.2	179.3	-177.8	0	109.8	D260 H262	D260-K268 HydrophobicContact CB-CB 4.12Å; D260-K268 HydrophobicContact CB-CD 4.35Å; D260-K268 WeakPolarHBondContact O-CB 3.32Å; D260-K268 PolarHBondContact O-N 3.24Å; H262-K268 HydrophobicContact CB-CB 4.36Å
269	G	95	Very high	93.8	Very high	8 Å²	8	52.7 Å²	52.7	8%	0.082	29%	0.294	C	S	.	.			trans	-85.3	142.9	169.5	0	0	0	0	0	111.5	V267 G271 T274 Y288	V267-G269 PolarHBondContact O-N 3.37Å; G269-G271 VanDerWaalsContact C-N 3.3Å; G269-G271 PolarHBondContact O-N 2.99Å; G269-T274 WeakPolarHBondContact CA-O 3.33Å; G269-Y288 WeakPolarHBondContact CA-O 3.48Å; G269-Y288 PolarHBondContact N-O 2.85Å
270	F	94	Very high	94	Very high	102 Å²	102	52 Å²	52	45%	0.447	29%	0.29	S	S	.	.	S	Bend	trans	-92.9	59.9	178.9	-66	-90.2	0	0	0	111.3	N272 T274	F270-N272 PolarHBondContact O-N 2.96Å; F270-T274 PolarHBondContact N-O 3Å
271	G	91.7	Very high	94.1	Very high	57 Å²	57	49.1 Å²	49.1	59%	0.588	27%	0.274	S	S	*	.	S	Bend	trans	77.9	-9.4	-176.1	0	0	0	0	0	114.8	G269	G269-G271 VanDerWaalsContact C-N 3.3Å; G269-G271 PolarHBondContact O-N 2.99Å
272	N	93	Very high	94.3	Very high	57 Å²	57	46.1 Å²	46.1	31%	0.305	26%	0.259	S	S	.	.	S	Bend	trans	-146.4	-158.3	175.8	65.2	18.7	0	0	0	109.7	F270 T274	F270-N272 PolarHBondContact O-N 2.96Å; N272-T274 VanDerWaalsContact C-N 3.25Å; N272-T274 PolarHBondContact O-N 2.99Å; N272-T274 WeakPolarHBondContact OD1-CB 3.46Å; N272-T274 PolarHBondContact OD1-N 2.82Å; N272-T274 PolarHBondContact OD1-OG1 2.83Å
273	T	96.5	Very high	94.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-79.8	4.4	-179	54.4	0	0	0	0	115.2	Y281 A282 C283 D302 N305 A306 L309	T273-Y281 CarbonylContact O-C 3.56Å; T273-Y281 WeakPolarHBondContact O-CA 3.27Å; T273-Y281 WeakPolarHBondContact O-CB 3.49Å; T273-A282 WeakPolarHBondContact CA-O 3.43Å; T273-A282 WeakPolarHBondContact CB-O 3.42Å; T273-A282 VanDerWaalsContact CG2-O 3.28Å; T273-A282 WeakPolarHBondContact CG2-O 3.48Å; T273-A282 PolarHBondContact O-N 2.98Å; T273-C283 HydrophobicContact CG2-CB 4.21Å; T273-D302 HydrophobicContact CG2-CB 3.61Å; T273-D302 WeakPolarHBondContact CG2-O 3.28Å; T273-N305 HydrophobicContact CG2-CB 4.24Å; T273-A306 HydrophobicContact CG2-CB 4.41Å; T273-A306 WeakPolarHBondContact OG1-CA 3.29Å; T273-A306 PolarHBondContact OG1-N 3.33Å; T273-L309 WeakPolarHBondContact OG1-CD1 3.41Å
274	T	97.6	Very high	94.9	Very high	42 Å²	42	40 Å²	40	26%	0.258	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-71.8	137.5	176.1	-52.9	0	0	0	0	110.6	G269 F270 N272	G269-T274 WeakPolarHBondContact CA-O 3.33Å; F270-T274 PolarHBondContact N-O 3Å; N272-T274 VanDerWaalsContact C-N 3.25Å; N272-T274 PolarHBondContact O-N 2.99Å; N272-T274 WeakPolarHBondContact OD1-CB 3.46Å; N272-T274 PolarHBondContact OD1-N 2.82Å; N272-T274 PolarHBondContact OD1-OG1 2.83Å
275	T	97.7	Very high	95.4	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	20%	0.2	C	C	.	.			trans	-105.4	-178.5	172.9	77.1	0	0	0	0	111.1	L259 V267 I277 I280 A282	L259-T275 HydrophobicContact CD2-CG2 4.44Å; L259-T275 WeakPolarHBondContact CD2-OG1 3.26Å; V267-T275 HydrophobicContact CG1-CG2 3.7Å; T275-I277 PolarHBondContact O-N 2.87Å; T275-I277 PolarHBondContact OG1-N 2.75Å; T275-I277 PolarHBondContact OG1-O 3.1Å; T275-I280 WeakPolarHBondContact CB-O 3.39Å; T275-I280 HydrophobicContact CG2-CG2 4.48Å; T275-I280 WeakPolarHBondContact CG2-O 3.43Å; T275-I280 PolarHBondContact OG1-O 2.93Å; T275-A282 HydrophobicContact CG2-CB 3.77Å
276	S	97.5	Very high	96	Very high	41 Å²	41	30.7 Å²	30.7	29%	0.287	17%	0.174	S	C	.	.	S	Bend	trans	-71.9	-11	178.4	58.3	0	0	0	0	114	D260	D260-S276 PolarHBondContact N-OG 2.87Å; D260-S276 VanDerWaalsContact OD1-CB 3.29Å; D260-S276 WeakPolarHBondContact OD1-CB 3.49Å; D260-S276 PolarHBondContact OD1-OG 3.1Å
277	I	97.9	Very high	96.1	Very high	28 Å²	28	27.5 Å²	27.5	14%	0.144	16%	0.162	C	C	.	.	S	Bend	trans	-108.7	114.4	179.1	-61.3	177.5	0	0	0	109.8	K88 F94 L259 T275 G279 I280	K88-I277 HydrophobicContact CD-CG2 3.79Å; F94-I277 HydrophobicContact CE1-CG2 4.45Å; L259-I277 HydrophobicContact CD2-CB 4.03Å; L259-I277 HydrophobicContact CD2-CD1 3.73Å; L259-I277 HydrophobicContact CD2-CG1 3.86Å; L259-I277 HydrophobicContact CG-CD1 4.47Å; T275-I277 PolarHBondContact O-N 2.87Å; T275-I277 PolarHBondContact OG1-N 2.75Å; T275-I277 PolarHBondContact OG1-O 3.1Å; I277-G279 PolarHBondContact O-N 2.78Å; I277-I280 HydrophobicContact CB-CB 4.29Å; I277-I280 HydrophobicContact CB-CD1 4.05Å; I277-I280 HydrophobicContact CB-CG1 4.23Å; I277-I280 HydrophobicContact CD1-CD1 4.22Å; I277-I280 HydrophobicContact CG2-CB 4.46Å; I277-I280 HydrophobicContact CG2-CD1 3.74Å; I277-I280 HydrophobicContact CG2-CG1 3.91Å; I277-I280 PolarHBondContact O-N 2.9Å
278	P	97.9	Very high	96.2	Very high	79 Å²	79	30.3 Å²	30.3	51%	0.513	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	128.6	176.5	-25.4	33.7	0	0	0	111.5	K88 F94 Y313	K88-P278 PolarHBondContact NZ-O 3.49Å; F94-P278 WeakPolarHBondContact CZ-O 3.45Å; P278-Y313 HydrophobicContact CB-CE2 3.94Å; P278-Y313 PolarHBondContact O-OH 3.31Å
279	G	98.3	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-7	-175.6	0	0	0	0	0	114.9	A108 V109 I277	A108-G279 WeakPolarHBondContact CA-O 3.5Å; V109-G279 PolarHBondContact N-O 2.77Å; I277-G279 PolarHBondContact O-N 2.78Å
280	I	98.5	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.8	169.1	-54.1	-175.6	0	0	0	109	I86 F94 V109 I111 L259 T275 I277	I86-I280 HydrophobicContact CG2-CD1 4Å; F94-I280 HydrophobicContact CD1-CD1 4.16Å; F94-I280 HydrophobicContact CD1-CG1 4.04Å; F94-I280 HydrophobicContact CE1-CD1 3.79Å; F94-I280 HydrophobicContact CE1-CG1 3.44Å; F94-I280 VanDerWaalsContact CE1-CG1 3.44Å; F94-I280 HydrophobicContact CZ-CG1 4.06Å; V109-I280 HydrophobicContact CB-CG1 4.47Å; V109-I280 WeakPolarHBondContact O-CA 3.25Å; I111-I280 HydrophobicContact CD1-CG2 3.79Å; I111-I280 HydrophobicContact CG1-CG2 4.2Å; L259-I280 HydrophobicContact CD1-CG2 4.39Å; L259-I280 HydrophobicContact CD2-CB 4.41Å; L259-I280 HydrophobicContact CD2-CD1 4.48Å; L259-I280 HydrophobicContact CD2-CG2 4.1Å; T275-I280 WeakPolarHBondContact CB-O 3.39Å; T275-I280 HydrophobicContact CG2-CG2 4.48Å; T275-I280 WeakPolarHBondContact CG2-O 3.43Å; T275-I280 PolarHBondContact OG1-O 2.93Å; I277-I280 HydrophobicContact CB-CB 4.29Å; I277-I280 HydrophobicContact CB-CD1 4.05Å; I277-I280 HydrophobicContact CB-CG1 4.23Å; I277-I280 HydrophobicContact CD1-CD1 4.22Å; I277-I280 HydrophobicContact CG2-CB 4.46Å; I277-I280 HydrophobicContact CG2-CD1 3.74Å; I277-I280 HydrophobicContact CG2-CG1 3.91Å; I277-I280 PolarHBondContact O-N 2.9Å
281	Y	98.6	Very high	95.9	Very high	15 Å²	15	32.9 Å²	32.9	6%	0.059	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.8	178.5	-53.7	-79.6	0	0	0	110.3	A108 V109 I110 I111 T273 L309 A310 Y313	A108-Y281 HydrophobicContact CB-CE2 4.49Å; V109-Y281 PolarHBondContact O-N 3.29Å; I110-Y281 CarbonylContact C-O 3.49Å; I110-Y281 WeakPolarHBondContact CA-O 3.37Å; I110-Y281 HydrophobicContact CG1-CD2 4.38Å; I111-Y281 PolarHBondContact N-O 2.67Å; T273-Y281 CarbonylContact O-C 3.56Å; T273-Y281 WeakPolarHBondContact O-CA 3.27Å; T273-Y281 WeakPolarHBondContact O-CB 3.49Å; Y281-L309 HydrophobicContact CD1-CB 3.88Å; Y281-L309 HydrophobicContact CD1-CD1 4.02Å; Y281-L309 HydrophobicContact CE1-CB 3.38Å; Y281-L309 HydrophobicContact CE1-CD1 4.04Å; Y281-L309 HydrophobicContact CE1-CG 4.28Å; Y281-L309 PolarHBondContact OH-O 3.22Å; Y281-L309 VanDerWaalsContact OH-O 3.12Å; Y281-A310 HydrophobicContact CD2-CB 4.09Å; Y281-A310 HydrophobicContact CE2-CB 3.83Å; Y281-Y313 WeakPolarHBondContact OH-CB 3.01Å
282	A	97.5	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.1	178	0	0	0	0	0	110.3	I111 V267 T273 T275 I286 V287	I111-A282 CarbonylContact O-C 3.58Å; I111-A282 WeakPolarHBondContact O-CA 3.35Å; V267-A282 HydrophobicContact CB-CB 4.17Å; V267-A282 HydrophobicContact CG1-CB 4.26Å; V267-A282 HydrophobicContact CG2-CB 4.44Å; T273-A282 WeakPolarHBondContact CA-O 3.43Å; T273-A282 WeakPolarHBondContact CB-O 3.42Å; T273-A282 VanDerWaalsContact CG2-O 3.28Å; T273-A282 WeakPolarHBondContact CG2-O 3.48Å; T273-A282 PolarHBondContact O-N 2.98Å; T275-A282 HydrophobicContact CG2-CB 3.77Å; A282-I286 HydrophobicContact CB-CG2 4.15Å; A282-V287 HydrophobicContact CB-CB 3.89Å; A282-V287 HydrophobicContact CB-CG2 4.16Å; A282-V287 WeakPolarHBondContact O-CG1 3.05Å
283	C	97.4	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.			trans	-141	147.8	-176.1	62.8	0	0	0	0	113.7	S12 I110 I111 T273 I286 D302 A306	S12-C283 PolarHBondContact OG-O 3.44Å; I110-C283 WeakPolarHBondContact CG2-SG 3.38Å; I111-C283 PolarHBondContact O-N 3.45Å; T273-C283 HydrophobicContact CG2-CB 4.21Å; C283-I286 WeakPolarHBondContact O-CG2 3.3Å; C283-D302 HydrophobicContact CB-CB 3.56Å; C283-A306 HydrophobicContact CB-CB 4.3Å
284	G	96.3	Very high	95.7	Very high	2 Å²	2	36 Å²	36	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	86.4	-147.3	-177.7	0	0	0	0	0	112.2	I286 V287 K292 D302	G284-I286 PolarHBondContact O-N 2.91Å; G284-I286 VanDerWaalsContact O-N 3.16Å; G284-V287 WeakPolarHBondContact O-CG1 3.1Å; G284-V287 PolarHBondContact O-N 3.34Å; G284-K292 WeakPolarHBondContact O-CE 3.5Å; G284-K292 PolarHBondContact O-NZ 3.44Å; G284-D302 PolarHBondContact N-OD2 3.18Å
285	D	94.2	Very high	95.6	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.262	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-67.5	-14.9	-174.6	-71	-14.7	0	0	0	114.2	K39	K39-D285 IonicContact NZ-OD2 2.92Å; K39-D285 PolarHBondContact NZ-OD2 2.82Å
286	I	94.3	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-78.1	-21.5	-176.1	-164.3	60.8	0	0	0	113	I111 I113 G114 L252 C265 R266 V267 A282 C283 G284	I111-I286 HydrophobicContact CG2-CG1 4.27Å; I111-I286 HydrophobicContact CG2-CG2 4.4Å; I111-I286 WeakPolarHBondContact O-CG2 3.28Å; I113-I286 HydrophobicContact CD1-CD1 4.03Å; I113-I286 HydrophobicContact CD1-CG1 4.2Å; I113-I286 HydrophobicContact CG1-CB 4.3Å; I113-I286 HydrophobicContact CG1-CD1 3.74Å; I113-I286 HydrophobicContact CG1-CG1 3.75Å; G114-I286 VanDerWaalsContact O-CA 3.32Å; G114-I286 WeakPolarHBondContact O-CA 3.42Å; G114-I286 VanDerWaalsContact O-CB 3.26Å; G114-I286 WeakPolarHBondContact O-CB 3.46Å; G114-I286 VanDerWaalsContact O-CD1 3.28Å; G114-I286 WeakPolarHBondContact O-CD1 3.5Å; G114-I286 PolarHBondContact O-N 3.33Å; L252-I286 HydrophobicContact CD1-CD1 3.59Å; L252-I286 HydrophobicContact CD1-CG1 3.92Å; C265-I286 VanDerWaalsContact O-CD1 3.26Å; C265-I286 WeakPolarHBondContact O-CD1 3.5Å; R266-I286 CarbonylContact C-O 3.33Å; R266-I286 VanDerWaalsContact CA-O 3.3Å; R266-I286 WeakPolarHBondContact CA-O 3.34Å; V267-I286 HydrophobicContact CG2-CG1 4.36Å; V267-I286 PolarHBondContact N-O 2.97Å; A282-I286 HydrophobicContact CB-CG2 4.15Å; C283-I286 WeakPolarHBondContact O-CG2 3.3Å; G284-I286 PolarHBondContact O-N 2.91Å; G284-I286 VanDerWaalsContact O-N 3.16Å
287	V	94.7	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.8	-177.9	67.4	0	0	0	0	110.6	A282 G284	A282-V287 HydrophobicContact CB-CB 3.89Å; A282-V287 HydrophobicContact CB-CG2 4.16Å; A282-V287 WeakPolarHBondContact O-CG1 3.05Å; G284-V287 WeakPolarHBondContact O-CG1 3.1Å; G284-V287 PolarHBondContact O-N 3.34Å
288	Y	94.7	Very high	95.5	Very high	59 Å²	59	37.2 Å²	37.2	23%	0.231	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	171.4	178.1	-86.7	0	0	0	110.8	H262 V267 G269 D290	H262-Y288 HydrophobicContact CB-CD1 4.11Å; H262-Y288 HydrophobicContact CB-CG 4.22Å; H262-Y288 AromaticContact CD2-CD1 3.62Å; H262-Y288 AromaticContact CD2-CD2 3.82Å; H262-Y288 AromaticContact CD2-CG 3.42Å; H262-Y288 VanDerWaalsContact CD2-CG 3.42Å; H262-Y288 AromaticContact CE1-CD1 3.46Å; H262-Y288 VanDerWaalsContact CE1-CD1 3.46Å; H262-Y288 WeakPolarHBondContact CE1-CD1 3.49Å; H262-Y288 AromaticContact CE1-CE1 3.32Å; H262-Y288 WeakPolarHBondContact CE1-CE1 3.19Å; H262-Y288 AromaticContact CE1-CG 3.99Å; H262-Y288 AromaticContact CE1-CZ 3.71Å; H262-Y288 AromaticContact CG-CD1 3.4Å; H262-Y288 AromaticContact CG-CG 3.6Å; H262-Y288 AromaticContact ND1-CD1 3.31Å; H262-Y288 VanDerWaalsContact ND1-CD1 3.31Å; H262-Y288 WeakPolarHBondContact ND1-CD1 3.4Å; H262-Y288 AromaticContact ND1-CE1 3.57Å; H262-Y288 AromaticContact ND1-CG 3.96Å; H262-Y288 AromaticContact NE2-CD1 3.66Å; H262-Y288 AromaticContact NE2-CD2 3.76Å; H262-Y288 AromaticContact NE2-CE1 3.72Å; H262-Y288 AromaticContact NE2-CE2 3.79Å; H262-Y288 AromaticContact NE2-CG 3.69Å; H262-Y288 AromaticContact NE2-CZ 3.78Å; V267-Y288 PolarHBondContact O-N 2.68Å; G269-Y288 WeakPolarHBondContact CA-O 3.48Å; G269-Y288 PolarHBondContact N-O 2.85Å; Y288-D290 PolarHBondContact OH-OD1 2.99Å; Y288-D290 VanDerWaalsContact OH-OD1 3.11Å
289	H	94.8	Very high	95.4	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.088	19%	0.193	C	C	.	.			trans	-153.8	161.1	162.6	58.4	90.2	0	0	0	107.7	A291 K292	H289-A291 PolarHBondContact ND1-N 3.23Å; H289-A291 PolarHBondContact O-N 3.47Å; H289-A291 VanDerWaalsContact O-N 3.08Å; H289-K292 PolarHBondContact CE1-N 3.5Å; H289-K292 PolarHBondContact ND1-N 2.84Å; H289-K292 WeakPolarHBondContact O-CB 3.36Å; H289-K292 PolarHBondContact O-N 3.47Å
290	D	92.8	Very high	95.4	Very high	150 Å²	150	35.1 Å²	35.1	80%	0.802	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.6	-169.3	-61.5	-32.4	0	0	0	114.3	Y288 K292	Y288-D290 PolarHBondContact OH-OD1 2.99Å; Y288-D290 VanDerWaalsContact OH-OD1 3.11Å; D290-K292 VanDerWaalsContact C-N 3.34Å
291	A	91.6	Very high	95.3	Very high	86 Å²	86	38 Å²	38	71%	0.711	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6.4	175.4	0	0	0	0	0	113.9	H289 S293	H289-A291 PolarHBondContact ND1-N 3.23Å; H289-A291 PolarHBondContact O-N 3.47Å; H289-A291 VanDerWaalsContact O-N 3.08Å; A291-S293 PolarHBondContact O-N 2.9Å
292	K	93.5	Very high	95.2	Very high	21 Å²	21	37.6 Å²	37.6	9%	0.091	22%	0.219	C	C	.	.			trans	-71.2	119.3	-172.2	-180	61.9	-179.1	168.8	0	111.1	G284 H289 D290 S298 D302	G284-K292 WeakPolarHBondContact O-CE 3.5Å; G284-K292 PolarHBondContact O-NZ 3.44Å; H289-K292 PolarHBondContact CE1-N 3.5Å; H289-K292 PolarHBondContact ND1-N 2.84Å; H289-K292 WeakPolarHBondContact O-CB 3.36Å; H289-K292 PolarHBondContact O-N 3.47Å; D290-K292 VanDerWaalsContact C-N 3.34Å; K292-S298 PolarHBondContact NZ-OG 3.29Å; K292-D302 IonicContact NZ-OD1 3.93Å; K292-D302 IonicContact NZ-OD2 3.45Å; K292-D302 PolarHBondContact NZ-OD2 3.23Å
293	S	93.4	Very high	95.3	Very high	54 Å²	54	37.6 Å²	37.6	38%	0.378	22%	0.219	S	C	.	.			trans	-90.1	136.2	164.7	179.6	0	0	0	0	110.5	A291 L295 S298	A291-S293 PolarHBondContact O-N 2.9Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.22Å; S293-L295 WeakPolarHBondContact OG-CD1 3.43Å; S293-L295 WeakPolarHBondContact OG-CG 3.25Å; S293-S298 WeakPolarHBondContact O-CB 3.14Å; S293-S298 PolarHBondContact O-OG 3.36Å
294	H	91.3	Very high	95.3	Very high	105 Å²	105	38.2 Å²	38.2	49%	0.486	22%	0.223	S	C	.	.			trans	-93.5	58.4	-177.1	-66.8	-64.6	0	0	0	112
295	L	95.5	Very high	95.3	Very high	70 Å²	70	41.1 Å²	41.1	37%	0.366	24%	0.239	S	C	.	.	S	Bend	trans	-131.7	159.1	-174.8	-61.7	176.7	0	0	0	111.6	D50 S293 A297 S298 A299	D50-L295 WeakPolarHBondContact OD2-CD2 3.26Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.22Å; S293-L295 WeakPolarHBondContact OG-CD1 3.43Å; S293-L295 WeakPolarHBondContact OG-CG 3.25Å; L295-A297 VanDerWaalsContact C-N 3.26Å; L295-A297 PolarHBondContact O-N 3.46Å; L295-S298 WeakPolarHBondContact O-CB 3.27Å; L295-S298 PolarHBondContact O-N 3.39Å; L295-S298 VanDerWaalsContact O-N 3.15Å; L295-A299 PolarHBondContact O-N 2.91Å
296	I	96.8	Very high	95.5	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-39.4	171.9	-63.9	168.8	0	0	0	110.7	P11 M40 I51 S298 A299 F300	P11-I296 HydrophobicContact CB-CG2 4.12Å; M40-I296 HydrophobicContact CE-CD1 4.34Å; M40-I296 HydrophobicContact CG-CD1 4.14Å; M40-I296 HydrophobicContact SD-CD1 4.25Å; I51-I296 HydrophobicContact CD1-CB 3.98Å; I51-I296 HydrophobicContact CD1-CD1 4.02Å; I51-I296 HydrophobicContact CD1-CG2 3.65Å; I51-I296 HydrophobicContact CG1-CB 4.1Å; I51-I296 HydrophobicContact CG1-CG2 4.17Å; I296-S298 VanDerWaalsContact C-N 3.28Å; I296-S298 PolarHBondContact O-N 2.82Å; I296-A299 WeakPolarHBondContact O-CA 3.08Å; I296-A299 VanDerWaalsContact O-CB 3.28Å; I296-A299 WeakPolarHBondContact O-CB 3.42Å; I296-A299 PolarHBondContact O-N 2.75Å; I296-F300 HydrophobicContact CG2-CD2 4.34Å; I296-F300 HydrophobicContact CG2-CE1 3.93Å; I296-F300 HydrophobicContact CG2-CE2 3.65Å; I296-F300 HydrophobicContact CG2-CZ 3.42Å; I296-F300 VanDerWaalsContact CG2-CZ 3.42Å; I296-F300 PolarHBondContact O-N 3.29Å
297	A	96.7	Very high	95.7	Very high	37 Å²	37	38.8 Å²	38.8	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-40.5	176.2	0	0	0	0	0	112.7	L295 F300 S301	L295-A297 VanDerWaalsContact C-N 3.26Å; L295-A297 PolarHBondContact O-N 3.46Å; A297-F300 PolarHBondContact O-N 3.38Å; A297-S301 PolarHBondContact O-N 3.39Å
298	S	96	Very high	95.9	Very high	16 Å²	16	39.7 Å²	39.7	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-38.7	174.5	172.9	0	0	0	0	111.7	K292 S293 L295 I296 F300 S301 D302	K292-S298 PolarHBondContact NZ-OG 3.29Å; S293-S298 WeakPolarHBondContact O-CB 3.14Å; S293-S298 PolarHBondContact O-OG 3.36Å; L295-S298 WeakPolarHBondContact O-CB 3.27Å; L295-S298 PolarHBondContact O-N 3.39Å; L295-S298 VanDerWaalsContact O-N 3.15Å; I296-S298 VanDerWaalsContact C-N 3.28Å; I296-S298 PolarHBondContact O-N 2.82Å; S298-F300 VanDerWaalsContact C-N 3.26Å; S298-F300 PolarHBondContact O-N 2.89Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.16Å; S298-D302 PolarHBondContact O-N 2.67Å
299	A	97.2	Very high	96.1	Very high	5 Å²	5	39 Å²	39	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-36.7	174.7	0	0	0	0	0	112.7	P11 S12 L295 I296 G303	P11-A299 HydrophobicContact CG-CB 4.49Å; S12-A299 WeakPolarHBondContact CA-O 3.47Å; S12-A299 WeakPolarHBondContact CB-O 3.33Å; L295-A299 PolarHBondContact O-N 2.91Å; I296-A299 WeakPolarHBondContact O-CA 3.08Å; I296-A299 VanDerWaalsContact O-CB 3.28Å; I296-A299 WeakPolarHBondContact O-CB 3.42Å; I296-A299 PolarHBondContact O-N 2.75Å; A299-G303 PolarHBondContact O-N 2.9Å
300	F	97.4	Very high	96.2	Very high	30 Å²	30	38.1 Å²	38.1	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-44.9	174	-60.1	-29.9	0	0	0	112.5	P11 Y15 I51 T66 I296 A297 S298 D302 G303 A304	P11-F300 HydrophobicContact CB-CD1 4.48Å; P11-F300 HydrophobicContact CB-CE1 3.8Å; Y15-F300 HydrophobicContact CD1-CB 4.08Å; Y15-F300 WeakPolarHBondContact CD1-O 3.32Å; Y15-F300 HydrophobicContact CD2-CB 4.22Å; Y15-F300 AromaticContact CD2-CD1 3.94Å; Y15-F300 HydrophobicContact CD2-CD1 3.94Å; Y15-F300 HydrophobicContact CD2-CG 4.16Å; Y15-F300 HydrophobicContact CE1-CB 4.33Å; Y15-F300 WeakPolarHBondContact CE1-O 3.47Å; Y15-F300 HydrophobicContact CE2-CB 4.48Å; Y15-F300 HydrophobicContact CG-CB 4.01Å; Y15-F300 AromaticContact CG-CD1 3.9Å; Y15-F300 HydrophobicContact CG-CD1 3.9Å; Y15-F300 HydrophobicContact CG-CG 4.24Å; I51-F300 HydrophobicContact CG2-CD2 4.49Å; I51-F300 HydrophobicContact CG2-CE2 3.93Å; T66-F300 HydrophobicContact CG2-CE1 3.98Å; T66-F300 HydrophobicContact CG2-CZ 4.27Å; I296-F300 HydrophobicContact CG2-CD2 4.34Å; I296-F300 HydrophobicContact CG2-CE1 3.93Å; I296-F300 HydrophobicContact CG2-CE2 3.65Å; I296-F300 HydrophobicContact CG2-CZ 3.42Å; I296-F300 VanDerWaalsContact CG2-CZ 3.42Å; I296-F300 PolarHBondContact O-N 3.29Å; A297-F300 PolarHBondContact O-N 3.38Å; S298-F300 VanDerWaalsContact C-N 3.26Å; S298-F300 PolarHBondContact O-N 2.89Å; F300-D302 VanDerWaalsContact C-N 3.34Å; F300-D302 PolarHBondContact O-N 3.43Å; F300-G303 PolarHBondContact O-N 2.81Å; F300-A304 PolarHBondContact O-N 3.13Å; F300-A304 VanDerWaalsContact O-N 3.08Å
301	S	96.3	Very high	96.5	Very high	63 Å²	63	32 Å²	32	44%	0.441	19%	0.193	S	C	.	.	H	α-helix	trans	-56.6	-48.8	174.8	-174.8	0	0	0	0	111.3	A297 S298 G303 A304 N305	A297-S301 PolarHBondContact O-N 3.39Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.16Å; S301-G303 VanDerWaalsContact C-N 3.34Å; S301-G303 PolarHBondContact O-N 3.4Å; S301-A304 PolarHBondContact O-N 3.36Å; S301-N305 VanDerWaalsContact O-CG 3.28Å; S301-N305 PolarHBondContact O-N 2.88Å; S301-N305 PolarHBondContact O-ND2 2.95Å
302	D	97.3	Very high	96.8	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-43.2	176.5	-71.2	4.4	0	0	0	112.5	T273 C283 G284 K292 S298 F300 A304 N305 A306	T273-D302 HydrophobicContact CG2-CB 3.61Å; T273-D302 WeakPolarHBondContact CG2-O 3.28Å; C283-D302 HydrophobicContact CB-CB 3.56Å; G284-D302 PolarHBondContact N-OD2 3.18Å; K292-D302 IonicContact NZ-OD1 3.93Å; K292-D302 IonicContact NZ-OD2 3.45Å; K292-D302 PolarHBondContact NZ-OD2 3.23Å; S298-D302 PolarHBondContact O-N 2.67Å; F300-D302 VanDerWaalsContact C-N 3.34Å; F300-D302 PolarHBondContact O-N 3.43Å; D302-A304 VanDerWaalsContact C-N 3.3Å; D302-A304 PolarHBondContact O-N 2.78Å; D302-N305 PolarHBondContact O-N 2.83Å; D302-A306 WeakPolarHBondContact O-CB 3.33Å; D302-A306 PolarHBondContact O-N 3Å
303	G	98	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-44	178.8	0	0	0	0	0	112	A16 A299 F300 S301 A307	A16-G303 WeakPolarHBondContact CA-O 3.38Å; A299-G303 PolarHBondContact O-N 2.9Å; F300-G303 PolarHBondContact O-N 2.81Å; S301-G303 VanDerWaalsContact C-N 3.34Å; S301-G303 PolarHBondContact O-N 3.4Å; G303-A307 WeakPolarHBondContact O-CB 3.36Å; G303-A307 PolarHBondContact O-N 3.13Å; G303-A307 VanDerWaalsContact O-N 3.12Å
304	A	97.7	Very high	97.2	Very high	12 Å²	12	28.2 Å²	28.2	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-47.5	174.9	0	0	0	0	0	112.1	Y15 Y19 F300 S301 D302 A306 A307 N308	Y15-A304 HydrophobicContact CD1-CB 4.39Å; Y15-A304 HydrophobicContact CE1-CB 3.99Å; Y19-A304 HydrophobicContact CD1-CB 4.28Å; Y19-A304 HydrophobicContact CD2-CB 3.8Å; Y19-A304 HydrophobicContact CE1-CB 4.41Å; Y19-A304 HydrophobicContact CE2-CB 3.92Å; Y19-A304 HydrophobicContact CG-CB 3.98Å; F300-A304 PolarHBondContact O-N 3.13Å; F300-A304 VanDerWaalsContact O-N 3.08Å; S301-A304 PolarHBondContact O-N 3.36Å; D302-A304 VanDerWaalsContact C-N 3.3Å; D302-A304 PolarHBondContact O-N 2.78Å; A304-A306 PolarHBondContact O-N 2.6Å; A304-A307 PolarHBondContact O-N 2.9Å; A304-N308 PolarHBondContact O-N 2.85Å; A304-N308 PolarHBondContact O-ND2 3.12Å
305	N	97.4	Very high	97.5	Very high	64 Å²	64	26.5 Å²	26.5	34%	0.342	15%	0.15	S	C	.	.	H	α-helix	trans	-61.1	-45.6	-178.6	-71.3	-24.9	0	0	0	111.3	T273 S301 D302 A307 N308 L309	T273-N305 HydrophobicContact CG2-CB 4.24Å; S301-N305 VanDerWaalsContact O-CG 3.28Å; S301-N305 PolarHBondContact O-N 2.88Å; S301-N305 PolarHBondContact O-ND2 2.95Å; D302-N305 PolarHBondContact O-N 2.83Å; N305-A307 PolarHBondContact O-N 3.21Å; N305-N308 PolarHBondContact O-N 2.91Å; N305-L309 WeakPolarHBondContact O-CB 3.38Å; N305-L309 VanDerWaalsContact O-CG 3.27Å; N305-L309 WeakPolarHBondContact O-CG 3.18Å; N305-L309 PolarHBondContact O-N 3.22Å
306	A	98.4	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-42.2	176	0	0	0	0	0	112.1	I110 T273 C283 D302 A304 L309 A310	I110-A306 HydrophobicContact CD1-CB 3.97Å; I110-A306 HydrophobicContact CG1-CB 4.26Å; I110-A306 HydrophobicContact CG2-CB 3.96Å; T273-A306 HydrophobicContact CG2-CB 4.41Å; T273-A306 WeakPolarHBondContact OG1-CA 3.29Å; T273-A306 PolarHBondContact OG1-N 3.33Å; C283-A306 HydrophobicContact CB-CB 4.3Å; D302-A306 WeakPolarHBondContact O-CB 3.33Å; D302-A306 PolarHBondContact O-N 3Å; A304-A306 PolarHBondContact O-N 2.6Å; A306-L309 PolarHBondContact O-N 2.91Å; A306-A310 VanDerWaalsContact O-CB 3.29Å; A306-A310 WeakPolarHBondContact O-CB 3.19Å; A306-A310 PolarHBondContact O-N 2.71Å
307	A	98.5	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-40.4	177.1	0	0	0	0	0	112.8	Y19 A20 M25 G303 A304 N305 A310 K311	Y19-A307 HydrophobicContact CD1-CB 4.17Å; Y19-A307 HydrophobicContact CG-CB 4.46Å; A20-A307 HydrophobicContact CB-CB 4.22Å; M25-A307 HydrophobicContact CE-CB 4.47Å; M25-A307 WeakPolarHBondContact CE-O 3.41Å; G303-A307 WeakPolarHBondContact O-CB 3.36Å; G303-A307 PolarHBondContact O-N 3.13Å; G303-A307 VanDerWaalsContact O-N 3.12Å; A304-A307 PolarHBondContact O-N 2.9Å; N305-A307 PolarHBondContact O-N 3.21Å; A307-A310 PolarHBondContact O-N 3.5Å; A307-K311 PolarHBondContact O-N 3.06Å
308	N	98.3	Very high	97.5	Very high	18 Å²	18	31.6 Å²	31.6	10%	0.096	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-47	176.1	-76.6	-31.3	0	0	0	111.7	Y19 R23 A304 N305 K311 T312 G322	Y19-N308 VanDerWaalsContact CE1-OD1 3.24Å; Y19-N308 WeakPolarHBondContact CE1-OD1 3.28Å; R23-N308 PolarHBondContact NH1-OD1 3.47Å; A304-N308 PolarHBondContact O-N 2.85Å; A304-N308 PolarHBondContact O-ND2 3.12Å; N305-N308 PolarHBondContact O-N 2.91Å; N308-K311 PolarHBondContact O-N 2.84Å; N308-T312 PolarHBondContact O-N 2.86Å; N308-G322 PolarHBondContact OD1-N 3.08Å
309	L	98.2	Very high	97.5	Very high	46 Å²	46	37.2 Å²	37.2	24%	0.241	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-40.2	177.3	-68	168.1	0	0	0	111.8	T273 Y281 N305 A306 K311 T312 Y313	T273-L309 WeakPolarHBondContact OG1-CD1 3.41Å; Y281-L309 HydrophobicContact CD1-CB 3.88Å; Y281-L309 HydrophobicContact CD1-CD1 4.02Å; Y281-L309 HydrophobicContact CE1-CB 3.38Å; Y281-L309 HydrophobicContact CE1-CD1 4.04Å; Y281-L309 HydrophobicContact CE1-CG 4.28Å; Y281-L309 PolarHBondContact OH-O 3.22Å; Y281-L309 VanDerWaalsContact OH-O 3.12Å; N305-L309 WeakPolarHBondContact O-CB 3.38Å; N305-L309 VanDerWaalsContact O-CG 3.27Å; N305-L309 WeakPolarHBondContact O-CG 3.18Å; N305-L309 PolarHBondContact O-N 3.22Å; A306-L309 PolarHBondContact O-N 2.91Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.34Å; L309-T312 PolarHBondContact O-N 3.35Å; L309-T312 PolarHBondContact O-OG1 2.97Å; L309-T312 VanDerWaalsContact O-OG1 3.08Å; L309-Y313 WeakPolarHBondContact O-CB 3.17Å; L309-Y313 PolarHBondContact O-N 3.12Å
310	A	98.5	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-40.3	174.3	0	0	0	0	0	111.6	M25 A108 I110 Y281 A306 A307 Y313 I314	M25-A310 HydrophobicContact CE-CB 4.36Å; A108-A310 HydrophobicContact CB-CB 4.06Å; I110-A310 HydrophobicContact CD1-CB 4.46Å; Y281-A310 HydrophobicContact CD2-CB 4.09Å; Y281-A310 HydrophobicContact CE2-CB 3.83Å; A306-A310 VanDerWaalsContact O-CB 3.29Å; A306-A310 WeakPolarHBondContact O-CB 3.19Å; A306-A310 PolarHBondContact O-N 2.71Å; A307-A310 PolarHBondContact O-N 3.5Å; A310-Y313 PolarHBondContact O-N 2.67Å; A310-I314 WeakPolarHBondContact O-CB 3.43Å; A310-I314 WeakPolarHBondContact O-CD1 3.21Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 3.47Å
311	K	98.5	Very high	96.9	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.096	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.8	178.4	-176.9	61.9	176.3	-158.3	0	111.9	R23 D24 M25 A307 N308 L309 Y313 I314 Q315 A318	R23-K311 HydrophobicContact CB-CB 4.39Å; R23-K311 HydrophobicContact CB-CD 4.45Å; R23-K311 HydrophobicContact CB-CG 4.29Å; R23-K311 WeakPolarHBondContact O-CE 3.27Å; R23-K311 PolarHBondContact O-NZ 2.8Å; D24-K311 PolarHBondContact O-NZ 3.39Å; M25-K311 HydrophobicContact CE-CB 4.12Å; M25-K311 HydrophobicContact CG-CD 3.78Å; M25-K311 HydrophobicContact SD-CB 3.85Å; M25-K311 HydrophobicContact SD-CD 3.85Å; M25-K311 HydrophobicContact SD-CG 4.42Å; A307-K311 PolarHBondContact O-N 3.06Å; N308-K311 PolarHBondContact O-N 2.84Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.34Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-I314 PolarHBondContact O-N 2.98Å; K311-Q315 VanDerWaalsContact CE-OE1 3.27Å; K311-Q315 PolarHBondContact O-N 2.81Å; K311-A318 HydrophobicContact CG-CB 4.06Å
312	T	97.9	Very high	96.5	Very high	41 Å²	41	43.6 Å²	43.6	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-71.2	-29	178.8	55.2	0	0	0	0	112.7	N308 L309 Q315 P316	N308-T312 PolarHBondContact O-N 2.86Å; L309-T312 PolarHBondContact O-N 3.35Å; L309-T312 PolarHBondContact O-OG1 2.97Å; L309-T312 VanDerWaalsContact O-OG1 3.08Å; T312-Q315 CarbonylContact O-C 3.38Å; T312-P316 VanDerWaalsContact O-CA 3.24Å; T312-P316 WeakPolarHBondContact O-CA 3.32Å
313	Y	98.1	Very high	96.1	Very high	24 Å²	24	50.3 Å²	50.3	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-41.7	171.3	178.3	-99.7	0	0	0	112.4	K88 E91 R92 F94 K107 A108 P278 Y281 L309 A310 K311	K88-Y313 PolarHBondContact NZ-OH 2.97Å; E91-Y313 WeakPolarHBondContact OE1-CE2 3.46Å; E91-Y313 VanDerWaalsContact OE1-CZ 3.23Å; E91-Y313 PolarHBondContact OE1-OH 2.63Å; E91-Y313 PolarHBondContact OE2-OH 3.42Å; R92-Y313 HydrophobicContact CB-CE1 4.32Å; R92-Y313 HydrophobicContact CG-CD1 4.18Å; R92-Y313 HydrophobicContact CG-CE1 3.63Å; R92-Y313 PolarHBondContact N-OH 3Å; R92-Y313 VanDerWaalsContact N-OH 3.09Å; R92-Y313 PolarHBondContact NE-O 2.85Å; R92-Y313 VanDerWaalsContact NE-O 3.12Å; F94-Y313 AromaticContact CE2-CE1 3.99Å; F94-Y313 HydrophobicContact CE2-CE1 3.99Å; K107-Y313 WeakPolarHBondContact O-CE1 3.35Å; A108-Y313 HydrophobicContact CB-CD1 4.27Å; P278-Y313 HydrophobicContact CB-CE2 3.94Å; P278-Y313 PolarHBondContact O-OH 3.31Å; Y281-Y313 WeakPolarHBondContact OH-CB 3.01Å; L309-Y313 WeakPolarHBondContact O-CB 3.17Å; L309-Y313 PolarHBondContact O-N 3.12Å; A310-Y313 PolarHBondContact O-N 2.67Å; K311-Y313 VanDerWaalsContact C-N 3.34Å
314	I	97.8	Very high	95.9	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.082	30%	0.296	C	S	.	.	H	α-helix	trans	-74.3	-43.8	-179	-67.7	169.2	0	0	0	111.5	D3 M25 R92 K107 A108 A310 K311	D3-I314 HydrophobicContact CB-CD1 3.92Å; D3-I314 WeakPolarHBondContact O-CD1 3.34Å; M25-I314 HydrophobicContact SD-CD1 3.94Å; R92-I314 PolarHBondContact NH1-O 3.06Å; R92-I314 VanDerWaalsContact NH1-O 3.17Å; K107-I314 HydrophobicContact CB-CD1 4.01Å; K107-I314 HydrophobicContact CB-CG1 3.74Å; K107-I314 HydrophobicContact CB-CG2 4.39Å; K107-I314 HydrophobicContact CD-CG1 4.46Å; K107-I314 HydrophobicContact CD-CG2 3.56Å; A108-I314 HydrophobicContact CB-CD1 3.87Å; A108-I314 HydrophobicContact CB-CG1 4.14Å; A310-I314 WeakPolarHBondContact O-CB 3.43Å; A310-I314 WeakPolarHBondContact O-CD1 3.21Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 3.47Å; K311-I314 PolarHBondContact O-N 2.98Å
315	Q	97.5	Very high	95.7	Very high	69 Å²	69	57 Å²	57	32%	0.322	32%	0.315	S	S	.	.			trans	-127.3	89.5	-177.8	-175.7	-179	-10.6	0	0	109.1	K311 T312 D317 A318	K311-Q315 VanDerWaalsContact CE-OE1 3.27Å; K311-Q315 PolarHBondContact O-N 2.81Å; T312-Q315 CarbonylContact O-C 3.38Å; Q315-D317 WeakPolarHBondContact CG-OD1 3.48Å; Q315-D317 PolarHBondContact NE2-OD2 2.81Å; Q315-D317 PolarHBondContact O-N 2.94Å; Q315-D317 VanDerWaalsContact O-N 3.15Å; Q315-A318 HydrophobicContact CB-CB 4.17Å; Q315-A318 HydrophobicContact CG-CB 4.05Å; Q315-A318 VanDerWaalsContact O-CB 3.23Å; Q315-A318 WeakPolarHBondContact O-CB 3.32Å; Q315-A318 PolarHBondContact O-N 2.98Å
316	P	96.2	Very high	95.4	Very high	84 Å²	84	58 Å²	58	55%	0.545	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.1	-174.4	-27.3	36.5	0	0	0	116	T312	T312-P316 VanDerWaalsContact O-CA 3.24Å; T312-P316 WeakPolarHBondContact O-CA 3.32Å
317	D	96.8	Very high	95.1	Very high	127 Å²	127	64.1 Å²	64.1	68%	0.679	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.9	176	58.6	-60.1	0	0	0	113.6	Q315	Q315-D317 WeakPolarHBondContact CG-OD1 3.48Å; Q315-D317 PolarHBondContact NE2-OD2 2.81Å; Q315-D317 PolarHBondContact O-N 2.94Å; Q315-D317 VanDerWaalsContact O-N 3.15Å
318	A	96.6	Very high	94.7	Very high	20 Å²	20	66.2 Å²	66.2	17%	0.165	37%	0.365	C	S	.	.	S	Bend	trans	-71.1	148.5	176.5	0	0	0	0	0	111.5	K311 Q315	K311-A318 HydrophobicContact CG-CB 4.06Å; Q315-A318 HydrophobicContact CB-CB 4.17Å; Q315-A318 HydrophobicContact CG-CB 4.05Å; Q315-A318 VanDerWaalsContact O-CB 3.23Å; Q315-A318 WeakPolarHBondContact O-CB 3.32Å; Q315-A318 PolarHBondContact O-N 2.98Å
319	N	95.2	Very high	94.4	Very high	134 Å²	134	73 Å²	73	72%	0.717	40%	0.396	S	S	*	.			trans	-54.1	147.6	169.9	-69.3	-39.1	0	0	0	111.1	R23 E321	R23-N319 PolarHBondContact NH2-O 2.97Å; N319-E321 PolarHBondContact O-N 3.15Å
320	A	93.1	Very high	94.2	Very high	71 Å²	71	74.1 Å²	74.1	59%	0.587	41%	0.405	S	S	*	.	S	Bend	trans	-58.7	-39.4	177.2	0	0	0	0	0	111.7	R23	R23-A320 PolarHBondContact NH1-O 2.89Å
321	E	89.4	Confident	94	Very high	147 Å²	147	75 Å²	75	69%	0.687	41%	0.409	S	S	*	.	S	Bend	trans	-113.5	151.3	-174.4	-62.9	178.4	-175.4	0	0	112.2	R23 N319	R23-E321 VanDerWaalsContact NH1-C 3.35Å; N319-E321 PolarHBondContact O-N 3.15Å
322	G	86.5	Confident	93.8	Very high	14 Å²	14	79.9 Å²	79.9	14%	0.144	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-73.5	150.6	171	0	0	0	0	0	111.8	N308	N308-G322 PolarHBondContact OD1-N 3.08Å
323	Y	90.4	Very high	93.5	Very high	148 Å²	148	83.5 Å²	83.5	58%	0.58	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-69.7	144.8	174.2	-159.5	-124.3	0	0	0	110.8	H327	Y323-H327 HydrophobicContact CD1-CB 4.21Å; Y323-H327 HydrophobicContact CE1-CB 3.42Å; Y323-H327 VanDerWaalsContact CE1-CB 3.42Å; Y323-H327 WeakPolarHBondContact CE1-O 3.39Å
324	V	92.5	Very high	93.2	Very high	82 Å²	82	83.7 Å²	83.7	50%	0.497	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.9	-174.2	-65.1	0	0	0	0	111.7	S326 H327 H328	V324-S326 PolarHBondContact O-N 2.87Å; V324-S326 VanDerWaalsContact O-N 3.14Å; V324-H327 HydrophobicContact CG2-CB 4.23Å; V324-H327 PolarHBondContact O-N 3.33Å; V324-H327 VanDerWaalsContact O-N 3.07Å; V324-H328 WeakPolarHBondContact O-CB 3.46Å; V324-H328 PolarHBondContact O-N 3.29Å; V324-H328 VanDerWaalsContact O-N 3.1Å
325	S	93.5	Very high	93	Very high	70 Å²	70	86 Å²	86	49%	0.49	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.8	-173.4	59.7	0	0	0	0	114	H327 H328 F331	S325-H327 PolarHBondContact O-N 3.41Å; S325-H328 PolarHBondContact O-N 2.71Å; S325-F331 WeakPolarHBondContact O-CD2 3.23Å
326	S	92	Very high	92.8	Very high	86 Å²	86	87.6 Å²	87.6	60%	0.601	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.8	179.8	53.6	0	0	0	0	114.2	V324	V324-S326 PolarHBondContact O-N 2.87Å; V324-S326 VanDerWaalsContact O-N 3.14Å
327	H	91.7	Very high	92.5	Very high	127 Å²	127	87.7 Å²	87.7	59%	0.588	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-118.2	4.1	179.5	-61.9	75.2	0	0	0	112.1	Y323 V324 S325 E329	Y323-H327 HydrophobicContact CD1-CB 4.21Å; Y323-H327 HydrophobicContact CE1-CB 3.42Å; Y323-H327 VanDerWaalsContact CE1-CB 3.42Å; Y323-H327 WeakPolarHBondContact CE1-O 3.39Å; V324-H327 HydrophobicContact CG2-CB 4.23Å; V324-H327 PolarHBondContact O-N 3.33Å; V324-H327 VanDerWaalsContact O-N 3.07Å; S325-H327 PolarHBondContact O-N 3.41Å; H327-E329 PolarHBondContact O-N 3.28Å
328	H	90.4	Very high	92.2	Very high	45 Å²	45	86.1 Å²	86.1	21%	0.208	46%	0.459	C	S	.	.			trans	-81.1	119.5	-176.7	-158.5	-61	0	0	0	110.8	L22 V324 S325 V330 F331	L22-H328 HydrophobicContact CD1-CB 4.47Å; L22-H328 PolarHBondContact O-NE2 2.78Å; V324-H328 WeakPolarHBondContact O-CB 3.46Å; V324-H328 PolarHBondContact O-N 3.29Å; V324-H328 VanDerWaalsContact O-N 3.1Å; S325-H328 PolarHBondContact O-N 2.71Å; H328-V330 HydrophobicContact CB-CG1 4.46Å; H328-V330 VanDerWaalsContact ND1-CB 3.35Å; H328-V330 WeakPolarHBondContact ND1-CB 3.34Å; H328-V330 WeakPolarHBondContact ND1-CG1 3.41Å; H328-V330 PolarHBondContact ND1-N 2.82Å; H328-V330 PolarHBondContact O-N 2.93Å; H328-V330 VanDerWaalsContact O-N 3.11Å; H328-F331 HydrophobicContact CB-CD2 3.95Å; H328-F331 HydrophobicContact CB-CE2 4.24Å; H328-F331 PolarHBondContact O-N 2.64Å; H328-F331 VanDerWaalsContact O-N 3.1Å
329	E	92.1	Very high	91.9	Very high	160 Å²	160	88.7 Å²	88.7	75%	0.748	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.2	-174.4	-65.8	-162.3	140	0	0	113.6	H327 F331 K332	H327-E329 PolarHBondContact O-N 3.28Å; E329-F331 PolarHBondContact O-N 3.22Å; E329-K332 WeakPolarHBondContact O-CB 3.24Å; E329-K332 PolarHBondContact O-N 3.11Å
330	V	93.1	Very high	91.7	Very high	70 Å²	70	86.6 Å²	86.6	42%	0.424	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-53.3	-27.1	176.7	84.9	0	0	0	0	113.9	L22 F73 H328	L22-V330 HydrophobicContact CD1-CG1 4.1Å; F73-V330 HydrophobicContact CE1-CG1 3.96Å; F73-V330 HydrophobicContact CE1-CG2 3.7Å; F73-V330 HydrophobicContact CZ-CG1 3.96Å; H328-V330 HydrophobicContact CB-CG1 4.46Å; H328-V330 VanDerWaalsContact ND1-CB 3.35Å; H328-V330 WeakPolarHBondContact ND1-CB 3.34Å; H328-V330 WeakPolarHBondContact ND1-CG1 3.41Å; H328-V330 PolarHBondContact ND1-N 2.82Å; H328-V330 PolarHBondContact O-N 2.93Å; H328-V330 VanDerWaalsContact O-N 3.11Å
331	F	95.2	Very high	91.5	Very high	17 Å²	17	90.7 Å²	90.7	8%	0.075	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-93.5	-3.8	179.6	-61.6	-62.4	0	0	0	113.7	F18 L22 Y72 F73 S325 H328 E329 E333 A334 N335	F18-F331 HydrophobicContact CE2-CE1 4.27Å; F18-F331 HydrophobicContact CE2-CZ 4Å; F18-F331 AromaticContact CZ-CZ 3.87Å; F18-F331 HydrophobicContact CZ-CZ 3.87Å; L22-F331 HydrophobicContact CD1-CE2 3.43Å; L22-F331 VanDerWaalsContact CD1-CE2 3.43Å; L22-F331 HydrophobicContact CD1-CZ 3.69Å; Y72-F331 AromaticContact CD1-CE1 3.93Å; Y72-F331 HydrophobicContact CD1-CE1 3.93Å; Y72-F331 AromaticContact CE1-CD1 3.69Å; Y72-F331 HydrophobicContact CE1-CD1 3.69Å; Y72-F331 AromaticContact CE1-CE1 3.38Å; Y72-F331 HydrophobicContact CE1-CE1 3.38Å; Y72-F331 AromaticContact CZ-CD1 3.73Å; Y72-F331 AromaticContact CZ-CE1 3.79Å; Y72-F331 WeakPolarHBondContact OH-CD1 3.5Å; F73-F331 HydrophobicContact CE1-CE1 4.48Å; F73-F331 HydrophobicContact CE2-CE1 4.4Å; F73-F331 HydrophobicContact CE2-CZ 4.23Å; F73-F331 AromaticContact CZ-CE1 3.74Å; F73-F331 HydrophobicContact CZ-CE1 3.74Å; F73-F331 AromaticContact CZ-CZ 3.68Å; F73-F331 HydrophobicContact CZ-CZ 3.68Å; S325-F331 WeakPolarHBondContact O-CD2 3.23Å; H328-F331 HydrophobicContact CB-CD2 3.95Å; H328-F331 HydrophobicContact CB-CE2 4.24Å; H328-F331 PolarHBondContact O-N 2.64Å; H328-F331 VanDerWaalsContact O-N 3.1Å; E329-F331 PolarHBondContact O-N 3.22Å; F331-E333 PolarHBondContact O-N 3.14Å; F331-A334 PolarHBondContact O-N 3.26Å; F331-N335 VanDerWaalsContact O-CB 3.29Å; F331-N335 WeakPolarHBondContact O-CB 3.43Å; F331-N335 PolarHBondContact O-N 3.46Å; F331-N335 PolarHBondContact O-ND2 3.08Å
332	K	93.1	Very high	91.3	Very high	125 Å²	125	91 Å²	91	54%	0.543	47%	0.467	S	S	.	.	H	α-helix	trans	-54.9	-47	-170.6	-170.2	175.3	-174.9	174.6	0	113.1	E329 K336	E329-K332 WeakPolarHBondContact O-CB 3.24Å; E329-K332 PolarHBondContact O-N 3.11Å; K332-K336 WeakPolarHBondContact O-CG 3.13Å; K332-K336 PolarHBondContact O-N 3.43Å
333	E	91.6	Very high	91.2	Very high	117 Å²	117	96 Å²	96	55%	0.547	49%	0.49	S	S	.	.	H	α-helix	trans	-71.7	-40	179.3	-65.4	-50.3	121.6	0	0	113	F331 N335 K336 T337	F331-E333 PolarHBondContact O-N 3.14Å; E333-N335 VanDerWaalsContact C-N 3.3Å; E333-N335 PolarHBondContact O-N 3.26Å; E333-K336 VanDerWaalsContact CD-NZ 3.29Å; E333-K336 WeakPolarHBondContact O-CB 3.41Å; E333-K336 PolarHBondContact O-N 3.13Å; E333-K336 WeakPolarHBondContact OE1-CE 3.27Å; E333-K336 IonicContact OE1-NZ 2.86Å; E333-K336 PolarHBondContact OE1-NZ 2.76Å; E333-K336 IonicContact OE2-NZ 3.18Å; E333-K336 PolarHBondContact OE2-NZ 3.17Å; E333-K336 VanDerWaalsContact OE2-NZ 3.08Å; E333-T337 PolarHBondContact O-N 3.12Å
334	A	92	Very high	90.1	Very high	28 Å²	28	100.4 Å²	100.4	23%	0.231	51%	0.507	C	S	.	.	H	α-helix	trans	-64.3	-38.8	175.6	0	0	0	0	0	111.6	Y72 F331 K336 T337 I338	Y72-A334 WeakPolarHBondContact OH-CB 3.34Å; F331-A334 PolarHBondContact O-N 3.26Å; A334-K336 PolarHBondContact O-N 2.85Å; A334-T337 WeakPolarHBondContact O-CB 3.02Å; A334-T337 PolarHBondContact O-N 3.09Å; A334-I338 WeakPolarHBondContact O-CG1 3.32Å; A334-I338 PolarHBondContact O-N 3.31Å; A334-I338 VanDerWaalsContact O-N 3.12Å
335	N	93.4	Very high	90	Very high	65 Å²	65	101.3 Å²	101.3	35%	0.348	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-40.6	176.6	-72.6	-12.5	0	0	0	111.5	F331 E333 T337 I338 V339	F331-N335 VanDerWaalsContact O-CB 3.29Å; F331-N335 WeakPolarHBondContact O-CB 3.43Å; F331-N335 PolarHBondContact O-N 3.46Å; F331-N335 PolarHBondContact O-ND2 3.08Å; E333-N335 VanDerWaalsContact C-N 3.3Å; E333-N335 PolarHBondContact O-N 3.26Å; N335-T337 VanDerWaalsContact C-N 3.27Å; N335-T337 PolarHBondContact O-N 3.02Å; N335-I338 PolarHBondContact O-N 3.26Å; N335-I338 VanDerWaalsContact O-N 3.15Å; N335-V339 WeakPolarHBondContact O-CB 3.46Å; N335-V339 VanDerWaalsContact O-CG2 3.24Å; N335-V339 WeakPolarHBondContact O-CG2 3.31Å; N335-V339 PolarHBondContact O-N 3.5Å
336	K	93	Very high	89.8	Confident	103 Å²	103	102.9 Å²	102.9	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-55.2	-44.2	173.7	-70.9	173.9	-176.2	169	0	111.9	K332 E333 A334 I338 N340	K332-K336 WeakPolarHBondContact O-CG 3.13Å; K332-K336 PolarHBondContact O-N 3.43Å; E333-K336 VanDerWaalsContact CD-NZ 3.29Å; E333-K336 WeakPolarHBondContact O-CB 3.41Å; E333-K336 PolarHBondContact O-N 3.13Å; E333-K336 WeakPolarHBondContact OE1-CE 3.27Å; E333-K336 IonicContact OE1-NZ 2.86Å; E333-K336 PolarHBondContact OE1-NZ 2.76Å; E333-K336 IonicContact OE2-NZ 3.18Å; E333-K336 PolarHBondContact OE2-NZ 3.17Å; E333-K336 VanDerWaalsContact OE2-NZ 3.08Å; A334-K336 PolarHBondContact O-N 2.85Å; K336-I338 PolarHBondContact O-N 3.1Å; K336-N340 WeakPolarHBondContact O-CB 3.45Å; K336-N340 PolarHBondContact O-N 2.85Å; K336-N340 PolarHBondContact O-ND2 3.01Å
337	T	90.8	Very high	89.7	Confident	86 Å²	86	103.9 Å²	103.9	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-40.1	179.3	-56.6	0	0	0	0	111.9	E333 A334 N335 K341	E333-T337 PolarHBondContact O-N 3.12Å; A334-T337 WeakPolarHBondContact O-CB 3.02Å; A334-T337 PolarHBondContact O-N 3.09Å; N335-T337 VanDerWaalsContact C-N 3.27Å; N335-T337 PolarHBondContact O-N 3.02Å; T337-K341 PolarHBondContact O-N 2.87Å
338	I	89.8	Confident	89.6	Confident	93 Å²	93	102.5 Å²	102.5	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-45.6	179.5	-64.8	168.8	0	0	0	110.9	A334 N335 K336 N340 K341 H342	A334-I338 WeakPolarHBondContact O-CG1 3.32Å; A334-I338 PolarHBondContact O-N 3.31Å; A334-I338 VanDerWaalsContact O-N 3.12Å; N335-I338 PolarHBondContact O-N 3.26Å; N335-I338 VanDerWaalsContact O-N 3.15Å; K336-I338 PolarHBondContact O-N 3.1Å; I338-N340 VanDerWaalsContact C-N 3.31Å; I338-N340 PolarHBondContact O-N 3.06Å; I338-K341 WeakPolarHBondContact O-CB 3.29Å; I338-K341 PolarHBondContact O-N 3.34Å; I338-K341 VanDerWaalsContact O-N 3.1Å; I338-H342 PolarHBondContact O-N 2.73Å; I338-H342 PolarHBondContact O-ND1 3.34Å
339	V	91.1	Very high	89.5	Confident	74 Å²	74	106.1 Å²	106.1	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-43.6	178.1	169.4	0	0	0	0	110.4	N335 K341 H342 L343	N335-V339 WeakPolarHBondContact O-CB 3.46Å; N335-V339 VanDerWaalsContact O-CG2 3.24Å; N335-V339 WeakPolarHBondContact O-CG2 3.31Å; N335-V339 PolarHBondContact O-N 3.5Å; V339-K341 PolarHBondContact O-N 2.85Å; V339-H342 PolarHBondContact O-N 3.06Å; V339-L343 HydrophobicContact CG1-CD1 3.55Å; V339-L343 HydrophobicContact CG1-CG 4.04Å; V339-L343 WeakPolarHBondContact O-CG 3.33Å; V339-L343 PolarHBondContact O-N 3.2Å
340	N	90.1	Very high	89.3	Confident	90 Å²	90	102.5 Å²	102.5	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-60.4	-30.6	177.3	-72.7	-12.3	0	0	0	113.1	K336 I338 H342 Y344	K336-N340 WeakPolarHBondContact O-CB 3.45Å; K336-N340 PolarHBondContact O-N 2.85Å; K336-N340 PolarHBondContact O-ND2 3.01Å; I338-N340 VanDerWaalsContact C-N 3.31Å; I338-N340 PolarHBondContact O-N 3.06Å; N340-H342 VanDerWaalsContact C-N 3.27Å; N340-H342 PolarHBondContact O-N 3.28Å; N340-Y344 WeakPolarHBondContact O-CD2 3.08Å; N340-Y344 PolarHBondContact O-N 3.28Å
341	K	89.6	Confident	89.1	Confident	158 Å²	158	104.9 Å²	104.9	69%	0.687	51%	0.506	S	S	*	.	H	α-helix	trans	-73.5	-14.1	174.6	-70.6	-179.2	176.8	-174.1	0	114.6	T337 I338 V339	T337-K341 PolarHBondContact O-N 2.87Å; I338-K341 WeakPolarHBondContact O-CB 3.29Å; I338-K341 PolarHBondContact O-N 3.34Å; I338-K341 VanDerWaalsContact O-N 3.1Å; V339-K341 PolarHBondContact O-N 2.85Å
342	H	85.7	Confident	88.6	Confident	154 Å²	154	111.6 Å²	111.6	71%	0.713	54%	0.539	S	S	*	.	H	α-helix	trans	-105	-19.1	-179.9	-68.1	60.7	0	0	0	111.9	I338 V339 N340	I338-H342 PolarHBondContact O-N 2.73Å; I338-H342 PolarHBondContact O-ND1 3.34Å; V339-H342 PolarHBondContact O-N 3.06Å; N340-H342 VanDerWaalsContact C-N 3.27Å; N340-H342 PolarHBondContact O-N 3.28Å
343	L	83.4	Confident	88.2	Confident	118 Å²	118	110.5 Å²	110.5	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-87.8	-20.3	176.6	-68.7	177.3	0	0	0	113.2	V339	V339-L343 HydrophobicContact CG1-CD1 3.55Å; V339-L343 HydrophobicContact CG1-CG 4.04Å; V339-L343 WeakPolarHBondContact O-CG 3.33Å; V339-L343 PolarHBondContact O-N 3.2Å
344	Y	68.1	Low	87.9	Confident	240 Å²	240	109.9 Å²	109.9	94%	0.941	54%	0.538	S	S	*	.			trans	-137.5	0	-177.2	-55.6	-76	0	0	0	110.5	N340	N340-Y344 WeakPolarHBondContact O-CD2 3.08Å; N340-Y344 PolarHBondContact O-N 3.28Å

Retrieved 344 of 344 residues in 675.4 ms (Link to these results)

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