A0A077ZII4_TRITR Loading...

MerR 1 and EAL and BLUF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZII4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 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	42.3	Very low	82.8	Confident	247 Å²	247	63 Å²	63	100%	1.217	32%	0.324	S	S	*	.				0	19.5	0	-125.7	177.4	-169.9	0	0	112.3
2	Q	56.8	Low	83.4	Confident	187 Å²	187	60.6 Å²	60.6	87%	0.874	31%	0.312	S	S	*	.			trans	-133.7	4.5	-153.6	-101.7	177.5	-13.6	0	0	117.5
3	S	66.5	Low	83.9	Confident	62 Å²	62	58.5 Å²	58.5	43%	0.434	32%	0.315	S	S	.	.			trans	-90	112	159.8	29.8	0	0	0	0	106.7	V5 Q26	S3-V5 PolarHBondContact O-N 3.46Å; S3-Q26 VanDerWaalsContact CA-OE1 3.27Å
4	D	88.3	Confident	84.3	Confident	92 Å²	92	59.1 Å²	59.1	49%	0.492	33%	0.326	S	S	.	.			trans	-67.1	51	171.3	-177.7	34.6	0	0	0	110.3	P23 R54	D4-P23 HydrophobicContact CB-CG 4.31Å; D4-P23 WeakPolarHBondContact O-CD 3.35Å; D4-R54 PolarHBondContact O-NH1 3.06Å; D4-R54 VanDerWaalsContact O-NH1 3.12Å; D4-R54 PolarHBondContact O-NH2 3.17Å; D4-R54 IonicContact OD1-CZ 3.81Å; D4-R54 IonicContact OD1-NH2 3.61Å; D4-R54 PolarHBondContact OD1-NH2 2.9Å; D4-R54 IonicContact OD2-NH2 3.87Å; D4-R54 PolarHBondContact OD2-NH2 3.42Å
5	V	92.7	Very high	84.9	Confident	15 Å²	15	57.9 Å²	57.9	9%	0.091	32%	0.317	C	S	.	.			trans	-118.5	127.6	-177.7	-179.5	0	0	0	0	108.3	S3 L20 E21 Q26 V27 I30	S3-V5 PolarHBondContact O-N 3.46Å; V5-L20 HydrophobicContact CG1-CB 4.38Å; V5-L20 HydrophobicContact CG1-CD2 4.31Å; V5-E21 CarbonylContact C-O 3.51Å; V5-E21 VanDerWaalsContact CA-O 3.32Å; V5-E21 WeakPolarHBondContact CA-O 3.26Å; V5-Q26 HydrophobicContact CG2-CB 3.65Å; V5-V27 HydrophobicContact CG1-CG2 4.34Å; V5-V27 HydrophobicContact CG2-CG2 4.21Å; V5-I30 HydrophobicContact CB-CD1 3.71Å; V5-I30 HydrophobicContact CG1-CD1 3.85Å; V5-I30 HydrophobicContact CG2-CD1 3.76Å
6	T	93.9	Very high	85.6	Confident	15 Å²	15	60.7 Å²	60.7	9%	0.092	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	165.5	178.5	59.1	0	0	0	0	109.6	E21 R54 F56 A59 G60	T6-E21 PolarHBondContact N-O 2.91Å; T6-E21 PolarHBondContact O-N 3.39Å; T6-R54 WeakPolarHBondContact OG1-CD 3.49Å; T6-R54 PolarHBondContact OG1-NH1 3.23Å; T6-F56 WeakPolarHBondContact CB-O 3.47Å; T6-A59 VanDerWaalsContact CB-O 3.29Å; T6-A59 WeakPolarHBondContact CB-O 3.35Å; T6-A59 VanDerWaalsContact CG2-O 3.23Å; T6-A59 WeakPolarHBondContact CG2-O 3.2Å; T6-G60 CarbonylContact C-O 3.58Å; T6-G60 VanDerWaalsContact C-O 3.31Å; T6-G60 WeakPolarHBondContact CA-O 3.42Å
7	G	92.7	Very high	86.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-168.2	177.9	0	0	0	0	0	113.8	L19 G60 M61 E62	G7-L19 WeakPolarHBondContact CA-O 3.46Å; G7-G60 PolarHBondContact N-O 3.35Å; G7-M61 VanDerWaalsContact C-SD 3.6Å; G7-E62 PolarHBondContact O-N 3.03Å; G7-E62 VanDerWaalsContact O-N 3.14Å
8	I	93	Very high	86.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.9	-179.1	-172.2	170.2	0	0	0	109.9	L10 Q18 L19 F56 M61 E62 F64 V78 K81 F98	I8-L10 HydrophobicContact CD1-CD2 3.96Å; I8-L10 HydrophobicContact CG1-CD2 4.01Å; I8-Q18 WeakPolarHBondContact O-CA 3.36Å; I8-L19 HydrophobicContact CG2-CB 4.36Å; I8-L19 PolarHBondContact N-O 3.44Å; I8-L19 PolarHBondContact O-N 3.01Å; I8-F56 HydrophobicContact CB-CD1 4.12Å; I8-F56 HydrophobicContact CB-CE1 4.34Å; I8-F56 HydrophobicContact CB-CG 4.26Å; I8-F56 HydrophobicContact CD1-CD1 4.23Å; I8-F56 HydrophobicContact CD1-CE1 3.84Å; I8-F56 HydrophobicContact CD1-CZ 4.42Å; I8-F56 HydrophobicContact CG2-CD1 4.06Å; I8-F56 HydrophobicContact CG2-CD2 3.86Å; I8-F56 HydrophobicContact CG2-CE1 3.98Å; I8-F56 HydrophobicContact CG2-CE2 3.77Å; I8-F56 HydrophobicContact CG2-CG 3.99Å; I8-F56 HydrophobicContact CG2-CZ 3.83Å; I8-M61 PolarHBondContact N-SD 3.36Å; I8-E62 CarbonylContact C-O 3.57Å; I8-E62 WeakPolarHBondContact CA-O 3.32Å; I8-E62 HydrophobicContact CG1-CB 4.18Å; I8-E62 WeakPolarHBondContact CG1-O 3.45Å; I8-F64 HydrophobicContact CD1-CB 4.35Å; I8-V78 HydrophobicContact CD1-CG1 4.16Å; I8-K81 HydrophobicContact CD1-CB 4.34Å; I8-F98 HydrophobicContact CG2-CE1 3.38Å; I8-F98 HydrophobicContact CG2-CZ 3.27Å
9	L	95.1	Very high	87.1	Confident	35 Å²	35	57.4 Å²	57.4	18%	0.183	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.6	177.9	176.5	63.2	0	0	0	108.4	F16 F17 Q18 M61 E62 L63 F64	L9-F16 HydrophobicContact CD1-CB 4.07Å; L9-F16 HydrophobicContact CD1-CD1 3.86Å; L9-F16 HydrophobicContact CD1-CG 4.33Å; L9-F16 HydrophobicContact CD2-CD1 4.37Å; L9-F16 HydrophobicContact CG-CD1 4.2Å; L9-F17 CarbonylContact C-O 3.54Å; L9-F17 WeakPolarHBondContact CA-O 3.37Å; L9-Q18 HydrophobicContact CB-CG 4.29Å; L9-Q18 HydrophobicContact CD1-CB 3.76Å; L9-Q18 HydrophobicContact CD1-CG 3.95Å; L9-M61 HydrophobicContact CB-CG 4.43Å; L9-M61 HydrophobicContact CB-SD 4.09Å; L9-E62 PolarHBondContact N-O 3.25Å; L9-L63 HydrophobicContact CB-CD1 4.35Å; L9-L63 HydrophobicContact CD2-CD1 3.93Å; L9-L63 HydrophobicContact CG-CD1 3.97Å; L9-L63 CarbonylContact O-C 3.57Å; L9-L63 WeakPolarHBondContact O-CA 3.34Å; L9-F64 PolarHBondContact O-N 3.03Å
10	L	94.9	Very high	87.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.3	174.6	-47.9	-177.3	0	0	0	110.1	I8 F16 F17 F64 V78 F98 F101 V102	I8-L10 HydrophobicContact CD1-CD2 3.96Å; I8-L10 HydrophobicContact CG1-CD2 4.01Å; L10-F16 WeakPolarHBondContact O-CA 3.41Å; L10-F17 HydrophobicContact CB-CB 4.23Å; L10-F17 HydrophobicContact CD1-CD1 4.17Å; L10-F17 HydrophobicContact CG-CD1 4.44Å; L10-F17 PolarHBondContact N-O 3.07Å; L10-F17 PolarHBondContact O-N 2.98Å; L10-F64 WeakPolarHBondContact CA-O 3.37Å; L10-F64 HydrophobicContact CD2-CB 3.7Å; L10-F64 HydrophobicContact CD2-CD1 4.48Å; L10-F64 HydrophobicContact CD2-CG 4.25Å; L10-V78 HydrophobicContact CD2-CG1 3.99Å; L10-V78 HydrophobicContact CD2-CG2 4.1Å; L10-F98 HydrophobicContact CD1-CD1 3.64Å; L10-F98 HydrophobicContact CD1-CE1 3.87Å; L10-F98 HydrophobicContact CD1-CG 4.42Å; L10-F98 HydrophobicContact CD2-CE1 4.21Å; L10-F98 HydrophobicContact CG-CD1 4.39Å; L10-F98 HydrophobicContact CG-CE1 4.12Å; L10-F101 HydrophobicContact CB-CD1 4.11Å; L10-F101 HydrophobicContact CB-CE1 3.76Å; L10-F101 HydrophobicContact CD1-CD1 3.85Å; L10-F101 HydrophobicContact CD1-CE1 4.35Å; L10-V102 HydrophobicContact CD1-CG2 3.94Å
11	F	94.5	Very high	87.8	Confident	39 Å²	39	54.2 Å²	54.2	17%	0.171	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.5	172.6	-178.5	-122.9	0	0	0	110.4	G13 H15 F16 F64 L66	F11-G13 VanDerWaalsContact CE1-CA 3.47Å; F11-G13 WeakPolarHBondContact CZ-O 3.41Å; F11-H15 VanDerWaalsContact CD2-O 3.27Å; F11-H15 WeakPolarHBondContact CD2-O 3.11Å; F11-F16 HydrophobicContact CB-CD1 3.98Å; F11-F16 HydrophobicContact CB-CE1 3.88Å; F11-F16 AromaticContact CD2-CD1 3.63Å; F11-F16 HydrophobicContact CD2-CD1 3.63Å; F11-F16 HydrophobicContact CD2-CD2 4.34Å; F11-F16 AromaticContact CD2-CE1 3.35Å; F11-F16 HydrophobicContact CD2-CE1 3.35Å; F11-F16 HydrophobicContact CD2-CE2 4.11Å; F11-F16 HydrophobicContact CD2-CG 4.12Å; F11-F16 AromaticContact CD2-CZ 3.61Å; F11-F16 HydrophobicContact CD2-CZ 3.61Å; F11-F16 HydrophobicContact CE2-CE1 4.02Å; F11-F16 HydrophobicContact CE2-CE2 4.07Å; F11-F16 AromaticContact CE2-CZ 3.78Å; F11-F16 HydrophobicContact CE2-CZ 3.78Å; F11-F16 HydrophobicContact CG-CD1 4.15Å; F11-F16 AromaticContact CG-CE1 3.74Å; F11-F16 HydrophobicContact CG-CE1 3.74Å; F11-F16 HydrophobicContact CG-CZ 4.29Å; F11-F64 PolarHBondContact N-O 3.17Å; F11-L66 WeakPolarHBondContact O-CB 3.39Å; F11-L66 WeakPolarHBondContact O-CG 3.42Å; F11-L66 PolarHBondContact O-N 3.36Å
12	N	90.6	Very high	90.3	Very high	34 Å²	34	44 Å²	44	18%	0.182	25%	0.245	C	C	.	.			trans	-102.4	0.9	179.6	75.7	4.8	0	0	0	113.8	S14 H15 L66 F101	N12-S14 PolarHBondContact OD1-N 3.44Å; N12-S14 PolarHBondContact OD1-OG 2.82Å; N12-H15 PolarHBondContact N-O 2.97Å; N12-H15 PolarHBondContact OD1-N 3.33Å; N12-H15 PolarHBondContact OD1-O 2.58Å; N12-L66 HydrophobicContact CB-CD1 3.95Å; N12-F101 HydrophobicContact CB-CE1 4.33Å; N12-F101 HydrophobicContact CB-CZ 4.17Å
13	G	90	Very high	92.1	Very high	34 Å²	34	37.6 Å²	37.6	35%	0.351	22%	0.219	S	C	.	.	S	Bend	trans	106.7	-21.7	-173.7	0	0	0	0	0	114.7	F11	F11-G13 VanDerWaalsContact CE1-CA 3.47Å; F11-G13 WeakPolarHBondContact CZ-O 3.41Å
14	S	89.4	Confident	93.4	Very high	67 Å²	67	38.5 Å²	38.5	47%	0.469	22%	0.217	S	C	.	.	S	Bend	trans	-129.1	-42.6	178.6	48.7	0	0	0	0	112	N12	N12-S14 PolarHBondContact OD1-N 3.44Å; N12-S14 PolarHBondContact OD1-OG 2.82Å
15	H	93.6	Very high	93.7	Very high	40 Å²	40	40.5 Å²	40.5	19%	0.185	22%	0.223	C	C	.	.			trans	-114.9	149.9	-174.5	-60.2	71	0	0	0	111.4	F11 N12 F101 Y110	F11-H15 VanDerWaalsContact CD2-O 3.27Å; F11-H15 WeakPolarHBondContact CD2-O 3.11Å; N12-H15 PolarHBondContact N-O 2.97Å; N12-H15 PolarHBondContact OD1-N 3.33Å; N12-H15 PolarHBondContact OD1-O 2.58Å; H15-F101 HydrophobicContact CB-CE2 3.86Å; H15-F101 HydrophobicContact CB-CZ 4.12Å; H15-Y110 AromaticContact CD2-CD2 3.83Å; H15-Y110 AromaticContact NE2-CD2 3.97Å
16	F	95.2	Very high	93.8	Very high	103 Å²	103	42.5 Å²	42.5	45%	0.452	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.5	167.8	-68.6	-76.5	0	0	0	110.6	L9 L10 F11	L9-F16 HydrophobicContact CD1-CB 4.07Å; L9-F16 HydrophobicContact CD1-CD1 3.86Å; L9-F16 HydrophobicContact CD1-CG 4.33Å; L9-F16 HydrophobicContact CD2-CD1 4.37Å; L9-F16 HydrophobicContact CG-CD1 4.2Å; L10-F16 WeakPolarHBondContact O-CA 3.41Å; F11-F16 HydrophobicContact CB-CD1 3.98Å; F11-F16 HydrophobicContact CB-CE1 3.88Å; F11-F16 AromaticContact CD2-CD1 3.63Å; F11-F16 HydrophobicContact CD2-CD1 3.63Å; F11-F16 HydrophobicContact CD2-CD2 4.34Å; F11-F16 AromaticContact CD2-CE1 3.35Å; F11-F16 HydrophobicContact CD2-CE1 3.35Å; F11-F16 HydrophobicContact CD2-CE2 4.11Å; F11-F16 HydrophobicContact CD2-CG 4.12Å; F11-F16 AromaticContact CD2-CZ 3.61Å; F11-F16 HydrophobicContact CD2-CZ 3.61Å; F11-F16 HydrophobicContact CE2-CE1 4.02Å; F11-F16 HydrophobicContact CE2-CE2 4.07Å; F11-F16 AromaticContact CE2-CZ 3.78Å; F11-F16 HydrophobicContact CE2-CZ 3.78Å; F11-F16 HydrophobicContact CG-CD1 4.15Å; F11-F16 AromaticContact CG-CE1 3.74Å; F11-F16 HydrophobicContact CG-CE1 3.74Å; F11-F16 HydrophobicContact CG-CZ 4.29Å
17	F	95.4	Very high	93.8	Very high	23 Å²	23	43.2 Å²	43.2	10%	0.101	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.6	167.9	-179.5	-75.8	0	0	0	108.4	L9 L10 L46 F97 F98 F101	L9-F17 CarbonylContact C-O 3.54Å; L9-F17 WeakPolarHBondContact CA-O 3.37Å; L10-F17 HydrophobicContact CB-CB 4.23Å; L10-F17 HydrophobicContact CD1-CD1 4.17Å; L10-F17 HydrophobicContact CG-CD1 4.44Å; L10-F17 PolarHBondContact N-O 3.07Å; L10-F17 PolarHBondContact O-N 2.98Å; F17-L46 HydrophobicContact CD2-CD1 4.08Å; F17-L46 HydrophobicContact CE2-CD1 3.47Å; F17-L46 VanDerWaalsContact CE2-CD1 3.47Å; F17-L46 HydrophobicContact CZ-CD1 4.36Å; F17-F97 HydrophobicContact CE2-CB 3.83Å; F17-F97 HydrophobicContact CZ-CB 3.6Å; F17-F98 HydrophobicContact CD1-CD2 4.41Å; F17-F98 HydrophobicContact CD1-CE2 4.25Å; F17-F98 HydrophobicContact CD1-CZ 4.34Å; F17-F98 AromaticContact CE1-CD2 3.53Å; F17-F98 HydrophobicContact CE1-CD2 3.53Å; F17-F98 HydrophobicContact CE1-CE1 4.5Å; F17-F98 AromaticContact CE1-CE2 3.39Å; F17-F98 HydrophobicContact CE1-CE2 3.39Å; F17-F98 HydrophobicContact CE1-CG 4.2Å; F17-F98 AromaticContact CE1-CZ 3.9Å; F17-F98 HydrophobicContact CE1-CZ 3.9Å; F17-F98 HydrophobicContact CZ-CD2 4.02Å; F17-F98 HydrophobicContact CZ-CE2 4.19Å; F17-F101 HydrophobicContact CB-CB 4.41Å; F17-F101 HydrophobicContact CB-CD1 3.55Å; F17-F101 HydrophobicContact CB-CD2 3.72Å; F17-F101 HydrophobicContact CB-CE1 3.58Å; F17-F101 HydrophobicContact CB-CE2 3.75Å; F17-F101 HydrophobicContact CB-CG 3.61Å; F17-F101 HydrophobicContact CB-CZ 3.68Å; F17-F101 HydrophobicContact CD2-CB 3.84Å; F17-F101 AromaticContact CD2-CD2 3.97Å; F17-F101 HydrophobicContact CD2-CD2 3.97Å; F17-F101 AromaticContact CD2-CG 3.86Å; F17-F101 HydrophobicContact CD2-CG 3.86Å; F17-F101 HydrophobicContact CE2-CB 4.38Å; F17-F101 HydrophobicContact CG-CB 4.17Å; F17-F101 HydrophobicContact CG-CD1 4.12Å; F17-F101 HydrophobicContact CG-CD2 4.21Å; F17-F101 AromaticContact CG-CG 3.9Å; F17-F101 HydrophobicContact CG-CG 3.9Å
18	Q	95.9	Very high	93.9	Very high	69 Å²	69	46.6 Å²	46.6	32%	0.322	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.4	-173.8	-163.3	170	11.4	0	0	111.9	I8 L9 L20 M61	I8-Q18 WeakPolarHBondContact O-CA 3.36Å; L9-Q18 HydrophobicContact CB-CG 4.29Å; L9-Q18 HydrophobicContact CD1-CB 3.76Å; L9-Q18 HydrophobicContact CD1-CG 3.95Å; Q18-L20 HydrophobicContact CG-CD2 4.24Å; Q18-L20 HydrophobicContact CG-CG 4.47Å; Q18-M61 HydrophobicContact CG-SD 4.3Å
19	L	94.9	Very high	94	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.147	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.8	167.4	178.6	65.4	0	0	0	109.1	G7 I8 E21 F56 F98	G7-L19 WeakPolarHBondContact CA-O 3.46Å; I8-L19 HydrophobicContact CG2-CB 4.36Å; I8-L19 PolarHBondContact N-O 3.44Å; I8-L19 PolarHBondContact O-N 3.01Å; L19-E21 HydrophobicContact CD1-CG 4.41Å; L19-E21 HydrophobicContact CD2-CG 4.22Å; L19-E21 HydrophobicContact CG-CG 4.04Å; L19-F56 HydrophobicContact CD2-CD2 3.72Å; L19-F56 HydrophobicContact CD2-CE2 3.86Å; L19-F98 HydrophobicContact CB-CE2 3.9Å; L19-F98 HydrophobicContact CB-CZ 3.81Å; L19-F98 HydrophobicContact CD2-CE2 3.92Å; L19-F98 HydrophobicContact CD2-CZ 4.08Å; L19-F98 HydrophobicContact CG-CE2 4.46Å
20	L	95	Very high	94	Very high	33 Å²	33	52.1 Å²	52.1	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.4	173.6	-60.3	176	0	0	0	109.1	V5 Q18 V27 I30 I34 M61	V5-L20 HydrophobicContact CG1-CB 4.38Å; V5-L20 HydrophobicContact CG1-CD2 4.31Å; Q18-L20 HydrophobicContact CG-CD2 4.24Å; Q18-L20 HydrophobicContact CG-CG 4.47Å; L20-V27 HydrophobicContact CB-CG1 3.91Å; L20-V27 HydrophobicContact CD1-CG1 4.36Å; L20-I30 HydrophobicContact CD1-CB 4.48Å; L20-I30 HydrophobicContact CD1-CG2 3.94Å; L20-I30 HydrophobicContact CD2-CG2 4.25Å; L20-I34 HydrophobicContact CD1-CD1 3.95Å; L20-M61 HydrophobicContact CD2-CE 3.42Å; L20-M61 VanDerWaalsContact CD2-CE 3.42Å
21	E	94.3	Very high	94.1	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.065	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.8	179.6	-58.5	-175.6	118.6	0	0	109.8	V5 T6 L19 R54 R55 F56	V5-E21 CarbonylContact C-O 3.51Å; V5-E21 VanDerWaalsContact CA-O 3.32Å; V5-E21 WeakPolarHBondContact CA-O 3.26Å; T6-E21 PolarHBondContact N-O 2.91Å; T6-E21 PolarHBondContact O-N 3.39Å; L19-E21 HydrophobicContact CD1-CG 4.41Å; L19-E21 HydrophobicContact CD2-CG 4.22Å; L19-E21 HydrophobicContact CG-CG 4.04Å; E21-R54 HydrophobicContact CB-CG 4.39Å; E21-R54 PolarHBondContact O-NH1 3.42Å; E21-R55 VanDerWaalsContact CD-N 3.26Å; E21-R55 WeakPolarHBondContact OE1-CB 3.44Å; E21-R55 WeakPolarHBondContact OE1-CD 3.12Å; E21-R55 WeakPolarHBondContact OE1-CG 3.37Å; E21-R55 PolarHBondContact OE1-N 2.75Å; E21-R55 IonicContact OE1-NH1 3.13Å; E21-R55 PolarHBondContact OE1-NH1 3.27Å; E21-R55 PolarHBondContact OE2-N 3.14Å; E21-F56 PolarHBondContact OE2-N 3.37Å
22	G	94.1	Very high	94.1	Very high	34 Å²	34	59 Å²	59	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	163.2	-169.4	178.8	0	0	0	0	0	112.9	E24	G22-E24 PolarHBondContact O-N 3.01Å
23	P	94.2	Very high	94.4	Very high	52 Å²	52	60.1 Å²	60.1	34%	0.338	32%	0.317	S	S	.	.			trans	-57.1	135.2	172.7	-22.7	33.5	0	0	0	111.2	D4 E25 Q26 V27	D4-P23 HydrophobicContact CB-CG 4.31Å; D4-P23 WeakPolarHBondContact O-CD 3.35Å; P23-E25 PolarHBondContact O-N 2.87Å; P23-Q26 HydrophobicContact CB-CG 4.31Å; P23-Q26 PolarHBondContact O-N 3.31Å; P23-V27 PolarHBondContact O-N 2.81Å
24	E	95	Very high	94.7	Very high	81 Å²	81	59.9 Å²	59.9	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-50.1	-50.1	-172.5	-177.3	177.3	173.7	0	0	113.2	G22 Q26 V27 K28 Y50	G22-E24 PolarHBondContact O-N 3.01Å; E24-Q26 VanDerWaalsContact C-N 3.29Å; E24-Q26 PolarHBondContact O-N 3.08Å; E24-V27 PolarHBondContact O-N 3.39Å; E24-K28 HydrophobicContact CG-CD 4.17Å; E24-K28 WeakPolarHBondContact O-CB 3.34Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 3.45Å; E24-K28 VanDerWaalsContact OE1-CE 3.24Å; E24-K28 WeakPolarHBondContact OE1-CE 3.3Å; E24-K28 IonicContact OE1-NZ 3.4Å; E24-K28 PolarHBondContact OE1-NZ 3.49Å; E24-Y50 PolarHBondContact OE2-OH 2.93Å
25	E	94	Very high	94.8	Very high	133 Å²	133	58.5 Å²	58.5	62%	0.621	30%	0.297	S	S	*	.	H	α-helix	trans	-59.3	-38.2	179.3	-75.5	-57.2	137.3	0	0	113.1	P23 M29	P23-E25 PolarHBondContact O-N 2.87Å; E25-M29 WeakPolarHBondContact O-CB 3.31Å; E25-M29 PolarHBondContact O-N 3.42Å
26	Q	94	Very high	94.8	Very high	57 Å²	57	64.3 Å²	64.3	27%	0.266	32%	0.324	S	S	.	.	H	α-helix	trans	-76.1	-37.5	-178.9	-60.7	-175.8	19.4	0	0	111.6	S3 V5 P23 E24 M29 I30	S3-Q26 VanDerWaalsContact CA-OE1 3.27Å; V5-Q26 HydrophobicContact CG2-CB 3.65Å; P23-Q26 HydrophobicContact CB-CG 4.31Å; P23-Q26 PolarHBondContact O-N 3.31Å; E24-Q26 VanDerWaalsContact C-N 3.29Å; E24-Q26 PolarHBondContact O-N 3.08Å; Q26-M29 PolarHBondContact O-N 3.27Å; Q26-I30 WeakPolarHBondContact O-CG1 3.41Å; Q26-I30 PolarHBondContact O-N 2.87Å; Q26-I30 VanDerWaalsContact O-N 3.07Å
27	V	95.1	Very high	94.8	Very high	30 Å²	30	61 Å²	61	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-48.2	173.6	173.4	0	0	0	0	110	V5 L20 P23 E24 M29 I30 Y31	V5-V27 HydrophobicContact CG1-CG2 4.34Å; V5-V27 HydrophobicContact CG2-CG2 4.21Å; L20-V27 HydrophobicContact CB-CG1 3.91Å; L20-V27 HydrophobicContact CD1-CG1 4.36Å; P23-V27 PolarHBondContact O-N 2.81Å; E24-V27 PolarHBondContact O-N 3.39Å; V27-M29 VanDerWaalsContact C-N 3.33Å; V27-M29 PolarHBondContact O-N 3.42Å; V27-I30 PolarHBondContact O-N 3.47Å; V27-Y31 WeakPolarHBondContact O-CB 3.26Å; V27-Y31 PolarHBondContact O-N 3.43Å
28	K	94.6	Very high	94.6	Very high	72 Å²	72	66 Å²	66	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-40.3	176.9	-74.4	-178.1	-177.9	172.6	0	112.5	E24 Y31 R32	E24-K28 HydrophobicContact CG-CD 4.17Å; E24-K28 WeakPolarHBondContact O-CB 3.34Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 3.45Å; E24-K28 VanDerWaalsContact OE1-CE 3.24Å; E24-K28 WeakPolarHBondContact OE1-CE 3.3Å; E24-K28 IonicContact OE1-NZ 3.4Å; E24-K28 PolarHBondContact OE1-NZ 3.49Å; K28-Y31 PolarHBondContact O-N 3.44Å; K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.48Å
29	M	94.9	Very high	94.5	Very high	109 Å²	109	72.4 Å²	72.4	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.2	-176.6	-170.2	66.7	0	0	111.8	E25 Q26 V27 A33	E25-M29 WeakPolarHBondContact O-CB 3.31Å; E25-M29 PolarHBondContact O-N 3.42Å; Q26-M29 PolarHBondContact O-N 3.27Å; V27-M29 VanDerWaalsContact C-N 3.33Å; V27-M29 PolarHBondContact O-N 3.42Å; M29-A33 PolarHBondContact O-N 2.88Å
30	I	95.2	Very high	94.4	Very high	43 Å²	43	73.6 Å²	73.6	22%	0.221	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-42.8	177.6	-68.8	175.9	0	0	0	110.7	V5 L20 Q26 V27 R32 A33 I34	V5-I30 HydrophobicContact CB-CD1 3.71Å; V5-I30 HydrophobicContact CG1-CD1 3.85Å; V5-I30 HydrophobicContact CG2-CD1 3.76Å; L20-I30 HydrophobicContact CD1-CB 4.48Å; L20-I30 HydrophobicContact CD1-CG2 3.94Å; L20-I30 HydrophobicContact CD2-CG2 4.25Å; Q26-I30 WeakPolarHBondContact O-CG1 3.41Å; Q26-I30 PolarHBondContact O-N 2.87Å; Q26-I30 VanDerWaalsContact O-N 3.07Å; V27-I30 PolarHBondContact O-N 3.47Å; I30-R32 PolarHBondContact O-N 3.2Å; I30-A33 WeakPolarHBondContact O-CB 3.49Å; I30-A33 PolarHBondContact O-N 3.03Å; I30-A33 VanDerWaalsContact O-N 3.11Å; I30-I34 HydrophobicContact CG2-CD1 3.78Å; I30-I34 HydrophobicContact CG2-CG1 4.4Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 3.46Å
31	Y	95.6	Very high	94.2	Very high	47 Å²	47	79 Å²	79	18%	0.184	39%	0.391	C	S	.	.	H	α-helix	trans	-57.3	-46.5	176.7	178.6	-109	0	0	0	111.9	V27 K28 A33 I34 C35 I43	V27-Y31 WeakPolarHBondContact O-CB 3.26Å; V27-Y31 PolarHBondContact O-N 3.43Å; K28-Y31 PolarHBondContact O-N 3.44Å; Y31-A33 VanDerWaalsContact C-N 3.28Å; Y31-A33 PolarHBondContact O-N 2.98Å; Y31-I34 WeakPolarHBondContact O-CB 3.44Å; Y31-I34 PolarHBondContact O-N 3.4Å; Y31-I34 VanDerWaalsContact O-N 3.11Å; Y31-C35 PolarHBondContact O-N 3.43Å; Y31-C35 PolarHBondContact O-SG 3.07Å; Y31-I43 HydrophobicContact CE2-CG2 4.3Å
32	R	95.2	Very high	94	Very high	135 Å²	135	81 Å²	81	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-58.8	-37.8	174.9	-72.5	174	-171.2	151	3.3	113	K28 I30 C35 Q36	K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.48Å; I30-R32 PolarHBondContact O-N 3.2Å; R32-C35 PolarHBondContact O-N 3.11Å; R32-Q36 WeakPolarHBondContact O-CG 3.12Å; R32-Q36 PolarHBondContact O-N 3.41Å
33	A	96	Very high	94.1	Very high	59 Å²	59	81.6 Å²	81.6	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-69.4	-37.8	177.1	0	0	0	0	0	111.9	M29 I30 Y31 Q36	M29-A33 PolarHBondContact O-N 2.88Å; I30-A33 WeakPolarHBondContact O-CB 3.49Å; I30-A33 PolarHBondContact O-N 3.03Å; I30-A33 VanDerWaalsContact O-N 3.11Å; Y31-A33 VanDerWaalsContact C-N 3.28Å; Y31-A33 PolarHBondContact O-N 2.98Å; A33-Q36 PolarHBondContact O-N 2.94Å
34	I	96.1	Very high	94.1	Very high	29 Å²	29	81.3 Å²	81.3	15%	0.149	39%	0.394	C	S	.	.	H	α-helix	trans	-61.3	-47.1	171.5	-70.3	163.2	0	0	0	109.4	L20 I30 Y31 Q36 D37 H40 I43	L20-I34 HydrophobicContact CD1-CD1 3.95Å; I30-I34 HydrophobicContact CG2-CD1 3.78Å; I30-I34 HydrophobicContact CG2-CG1 4.4Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 3.46Å; Y31-I34 WeakPolarHBondContact O-CB 3.44Å; Y31-I34 PolarHBondContact O-N 3.4Å; Y31-I34 VanDerWaalsContact O-N 3.11Å; I34-Q36 PolarHBondContact O-N 3.49Å; I34-D37 VanDerWaalsContact O-CB 3.23Å; I34-D37 WeakPolarHBondContact O-CB 3.17Å; I34-D37 PolarHBondContact O-N 3.39Å; I34-H40 PolarHBondContact O-CE1 3.02Å; I34-H40 PolarHBondContact O-NE2 3.17Å; I34-I43 HydrophobicContact CG2-CD1 4.41Å
35	C	93.2	Very high	94.2	Very high	37 Å²	37	81.2 Å²	81.2	25%	0.25	39%	0.394	C	S	.	.	H	α-helix	trans	-57.7	-22.3	179.3	-67.6	0	0	0	0	115.4	Y31 R32 I43	Y31-C35 PolarHBondContact O-N 3.43Å; Y31-C35 PolarHBondContact O-SG 3.07Å; R32-C35 PolarHBondContact O-N 3.11Å; C35-I43 VanDerWaalsContact CA-CD1 3.44Å; C35-I43 HydrophobicContact CB-CD1 4.28Å
36	Q	92.6	Very high	94.3	Very high	163 Å²	163	77.4 Å²	77.4	76%	0.762	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	2.3	-179.7	-65.8	175.8	1.3	0	0	113	R32 A33 I34 P38	R32-Q36 WeakPolarHBondContact O-CG 3.12Å; R32-Q36 PolarHBondContact O-N 3.41Å; A33-Q36 PolarHBondContact O-N 2.94Å; I34-Q36 PolarHBondContact O-N 3.49Å; Q36-P38 WeakPolarHBondContact O-CD 3.4Å
37	D	95.3	Very high	94.4	Very high	33 Å²	33	77.7 Å²	77.7	18%	0.176	38%	0.38	C	S	.	.			trans	-80.6	120.6	-172.9	-161.5	-50.5	0	0	0	111.7	I34 R39	I34-D37 VanDerWaalsContact O-CB 3.23Å; I34-D37 WeakPolarHBondContact O-CB 3.17Å; I34-D37 PolarHBondContact O-N 3.39Å; D37-R39 PolarHBondContact O-N 2.88Å; D37-R39 VanDerWaalsContact O-N 3.11Å; D37-R39 WeakPolarHBondContact OD1-CB 3.46Å; D37-R39 VanDerWaalsContact OD1-CG 3.22Å; D37-R39 WeakPolarHBondContact OD1-CG 3.46Å; D37-R39 IonicContact OD1-CZ 3.65Å; D37-R39 PolarHBondContact OD1-N 3.48Å; D37-R39 IonicContact OD1-NE 2.77Å; D37-R39 PolarHBondContact OD1-NE 3.04Å; D37-R39 IonicContact OD1-NH2 2.87Å; D37-R39 IonicContact OD2-CZ 2.69Å; D37-R39 VanDerWaalsContact OD2-CZ 3.26Å; D37-R39 IonicContact OD2-NE 3.47Å; D37-R39 PolarHBondContact OD2-NE 3.39Å; D37-R39 VanDerWaalsContact OD2-NE 3.15Å; D37-R39 IonicContact OD2-NH2 3.39Å; D37-R39 PolarHBondContact OD2-NH2 3.28Å
38	P	92	Very high	94.4	Very high	127 Å²	127	80.3 Å²	80.3	83%	0.825	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.6	-177	31.5	-37.4	0	0	0	113.9	Q36 H40	Q36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-H40 VanDerWaalsContact C-N 3.28Å
39	R	93.4	Very high	94.4	Very high	204 Å²	204	82.7 Å²	82.7	77%	0.77	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.2	-178.6	-64.6	174.9	-74.3	-178.1	-2.5	113.4	D37	D37-R39 PolarHBondContact O-N 2.88Å; D37-R39 VanDerWaalsContact O-N 3.11Å; D37-R39 WeakPolarHBondContact OD1-CB 3.46Å; D37-R39 VanDerWaalsContact OD1-CG 3.22Å; D37-R39 WeakPolarHBondContact OD1-CG 3.46Å; D37-R39 IonicContact OD1-CZ 3.65Å; D37-R39 PolarHBondContact OD1-N 3.48Å; D37-R39 IonicContact OD1-NE 2.77Å; D37-R39 PolarHBondContact OD1-NE 3.04Å; D37-R39 IonicContact OD1-NH2 2.87Å; D37-R39 IonicContact OD2-CZ 2.69Å; D37-R39 VanDerWaalsContact OD2-CZ 3.26Å; D37-R39 IonicContact OD2-NE 3.47Å; D37-R39 PolarHBondContact OD2-NE 3.39Å; D37-R39 VanDerWaalsContact OD2-NE 3.15Å; D37-R39 IonicContact OD2-NH2 3.39Å; D37-R39 PolarHBondContact OD2-NH2 3.28Å
40	H	92.5	Very high	94.4	Very high	53 Å²	53	86.2 Å²	86.2	25%	0.245	42%	0.424	C	S	.	.			trans	-144.2	173.3	176.5	58	-117.7	0	0	0	110.6	I34 P38 I43	I34-H40 PolarHBondContact O-CE1 3.02Å; I34-H40 PolarHBondContact O-NE2 3.17Å; P38-H40 VanDerWaalsContact C-N 3.28Å; H40-I43 VanDerWaalsContact CD2-CD1 3.47Å; H40-I43 WeakPolarHBondContact CD2-CD1 3.35Å; H40-I43 WeakPolarHBondContact NE2-CD1 3.43Å
41	Y	90.8	Very high	94	Very high	147 Å²	147	86.8 Å²	86.8	58%	0.576	43%	0.434	S	S	*	.			trans	-151	174.9	-179.3	60	-77.7	0	0	0	109.1	I43	Y41-I43 PolarHBondContact O-N 2.95Å
42	N	91.2	Very high	93.6	Very high	57 Å²	57	91 Å²	91	31%	0.305	47%	0.468	S	S	.	.			trans	49.9	52	-177.3	-54.2	132.3	0	0	0	114.8	V44 I113	N42-V44 PolarHBondContact O-N 2.98Å; N42-I113 WeakPolarHBondContact ND2-CB 3.45Å; N42-I113 PolarHBondContact ND2-N 2.9Å; N42-I113 PolarHBondContact ND2-O 2.82Å; N42-I113 PolarHBondContact OD1-N 3.4Å; N42-I113 PolarHBondContact OD1-O 3.03Å
43	I	94.6	Very high	93.3	Very high	45 Å²	45	87.6 Å²	87.6	23%	0.231	47%	0.469	C	S	.	.			trans	-72.6	128.4	178.6	-56.8	164.2	0	0	0	110	Y31 I34 C35 H40 Y41	Y31-I43 HydrophobicContact CE2-CG2 4.3Å; I34-I43 HydrophobicContact CG2-CD1 4.41Å; C35-I43 VanDerWaalsContact CA-CD1 3.44Å; C35-I43 HydrophobicContact CB-CD1 4.28Å; H40-I43 VanDerWaalsContact CD2-CD1 3.47Å; H40-I43 WeakPolarHBondContact CD2-CD1 3.35Å; H40-I43 WeakPolarHBondContact NE2-CD1 3.43Å; Y41-I43 PolarHBondContact O-N 2.95Å
44	V	95.6	Very high	92.9	Very high	47 Å²	47	88.1 Å²	88.1	29%	0.285	46%	0.458	S	S	.	.			trans	-122.2	121.4	178.9	-175.5	0	0	0	0	109.9	N42 L46 K306	N42-V44 PolarHBondContact O-N 2.98Å; V44-L46 HydrophobicContact CG1-CD2 3.99Å; V44-K306 CarbonylContact C-O 3.6Å; V44-K306 WeakPolarHBondContact CA-O 3.28Å
45	E	96.6	Very high	92.5	Very high	79 Å²	79	89 Å²	89	37%	0.369	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-78.4	119.3	171.4	-170.4	-175	98.5	0	0	109.9	C48 K306 G308 P309	E45-C48 WeakPolarHBondContact OE1-CB 3.22Å; E45-K306 PolarHBondContact N-O 3.46Å; E45-G308 WeakPolarHBondContact O-CA 3.48Å; E45-G308 PolarHBondContact O-N 3.17Å; E45-P309 WeakPolarHBondContact O-CD 3.38Å
46	L	95.8	Very high	92.2	Very high	53 Å²	53	87.5 Å²	87.5	28%	0.277	45%	0.449	S	S	.	.			trans	-96.2	-33	-178.9	-58.5	178.3	0	0	0	113	F17 V44 F97	F17-L46 HydrophobicContact CD2-CD1 4.08Å; F17-L46 HydrophobicContact CE2-CD1 3.47Å; F17-L46 VanDerWaalsContact CE2-CD1 3.47Å; F17-L46 HydrophobicContact CZ-CD1 4.36Å; V44-L46 HydrophobicContact CG1-CD2 3.99Å; L46-F97 HydrophobicContact CB-CD1 4.33Å; L46-F97 HydrophobicContact CB-CE1 4.05Å; L46-F97 HydrophobicContact CB-CE2 4.42Å; L46-F97 HydrophobicContact CB-CZ 4.08Å; L46-F97 HydrophobicContact CD1-CD1 4.04Å; L46-F97 HydrophobicContact CD1-CE1 4.38Å
47	L	95.6	Very high	91.6	Very high	63 Å²	63	81.3 Å²	81.3	33%	0.33	43%	0.428	S	S	.	.			trans	-157.9	129.5	-175.2	-177.5	68.5	0	0	0	110.8	D49 A94 F97	L47-D49 HydrophobicContact CD1-CB 4.36Å; L47-A94 HydrophobicContact CD2-CB 4.21Å; L47-F97 HydrophobicContact CB-CE2 4.11Å
48	C	95.2	Very high	90.6	Very high	85 Å²	85	86.6 Å²	86.6	57%	0.574	45%	0.45	S	S	*	.			trans	-137	111.6	168.7	-176.6	0	0	0	0	107.9	E45	E45-C48 WeakPolarHBondContact OE1-CB 3.22Å
49	D	95.4	Very high	89.5	Confident	122 Å²	122	82.4 Å²	82.4	65%	0.652	43%	0.425	S	S	*	.			trans	-156	162.8	-173.8	-150	-21.6	0	0	0	111.7	L47	L47-D49 HydrophobicContact CD1-CB 4.36Å
50	Y	93.6	Very high	89.1	Confident	183 Å²	183	75 Å²	75	72%	0.718	41%	0.412	S	S	*	.			trans	-75.8	136.6	170.3	-64	-66.5	0	0	0	110.4	E24	E24-Y50 PolarHBondContact OE2-OH 2.93Å
51	A	88.6	Confident	89	Confident	54 Å²	54	76.2 Å²	76.2	45%	0.446	42%	0.419	S	S	.	.			trans	-118.3	141.3	178.1	0	0	0	0	0	111	A53	A51-A53 VanDerWaalsContact C-N 3.27Å; A51-A53 PolarHBondContact O-N 3.43Å
52	P	87.2	Confident	88.8	Confident	136 Å²	136	71.3 Å²	71.3	88%	0.883	40%	0.401	S	S	*	.	S	Bend	trans	-72.3	-21.5	177.5	29.8	-35.3	0	0	0	112.9
53	A	87	Confident	88.8	Confident	64 Å²	64	74.1 Å²	74.1	53%	0.529	42%	0.416	S	S	.	.	S	Bend	trans	-156.4	160	-179.1	0	0	0	0	0	111.3	A51	A51-A53 VanDerWaalsContact C-N 3.27Å; A51-A53 PolarHBondContact O-N 3.43Å
54	R	88.4	Confident	88.7	Confident	70 Å²	70	72.4 Å²	72.4	26%	0.264	41%	0.407	S	S	.	.			trans	-81.3	125.9	174.4	-63	174.5	-177.1	-104.4	1.7	110.9	D4 T6 E21 T83	D4-R54 PolarHBondContact O-NH1 3.06Å; D4-R54 VanDerWaalsContact O-NH1 3.12Å; D4-R54 PolarHBondContact O-NH2 3.17Å; D4-R54 IonicContact OD1-CZ 3.81Å; D4-R54 IonicContact OD1-NH2 3.61Å; D4-R54 PolarHBondContact OD1-NH2 2.9Å; D4-R54 IonicContact OD2-NH2 3.87Å; D4-R54 PolarHBondContact OD2-NH2 3.42Å; T6-R54 WeakPolarHBondContact OG1-CD 3.49Å; T6-R54 PolarHBondContact OG1-NH1 3.23Å; E21-R54 HydrophobicContact CB-CG 4.39Å; E21-R54 PolarHBondContact O-NH1 3.42Å; R54-T83 PolarHBondContact O-OG1 2.82Å
55	R	87.9	Confident	88.6	Confident	48 Å²	48	71.7 Å²	71.7	18%	0.181	40%	0.402	C	S	.	.	S	Bend	trans	-75.7	-32.6	174.4	-64	158.1	-175.8	83.8	3	112	E21 G82 T83 D92	E21-R55 VanDerWaalsContact CD-N 3.26Å; E21-R55 WeakPolarHBondContact OE1-CB 3.44Å; E21-R55 WeakPolarHBondContact OE1-CD 3.12Å; E21-R55 WeakPolarHBondContact OE1-CG 3.37Å; E21-R55 PolarHBondContact OE1-N 2.75Å; E21-R55 IonicContact OE1-NH1 3.13Å; E21-R55 PolarHBondContact OE1-NH1 3.27Å; E21-R55 PolarHBondContact OE2-N 3.14Å; R55-G82 CarbonylContact O-C 3.51Å; R55-G82 WeakPolarHBondContact O-CA 3.37Å; R55-T83 PolarHBondContact O-N 2.77Å; R55-T83 PolarHBondContact O-OG1 2.89Å; R55-D92 IonicContact CZ-OD1 2.84Å; R55-D92 IonicContact CZ-OD2 3.53Å; R55-D92 VanDerWaalsContact CZ-OD2 3.29Å; R55-D92 IonicContact NE-OD1 3.99Å; R55-D92 PolarHBondContact NE-OD1 3.02Å; R55-D92 VanDerWaalsContact NE-OD1 3.12Å; R55-D92 IonicContact NE-OD2 3.43Å; R55-D92 PolarHBondContact NE-OD2 2.96Å; R55-D92 IonicContact NH2-OD1 3.51Å; R55-D92 IonicContact NH2-OD2 3.87Å; R55-D92 PolarHBondContact NH2-OD2 3.32Å
56	F	87.4	Confident	88.4	Confident	5 Å²	5	69 Å²	69	2%	0.022	39%	0.389	C	S	.	.	S	Bend	trans	-125.7	41.6	-178.4	-64.6	-87.8	0	0	0	112.4	T6 I8 L19 E21 K58 K81 F98	T6-F56 WeakPolarHBondContact CB-O 3.47Å; I8-F56 HydrophobicContact CB-CD1 4.12Å; I8-F56 HydrophobicContact CB-CE1 4.34Å; I8-F56 HydrophobicContact CB-CG 4.26Å; I8-F56 HydrophobicContact CD1-CD1 4.23Å; I8-F56 HydrophobicContact CD1-CE1 3.84Å; I8-F56 HydrophobicContact CD1-CZ 4.42Å; I8-F56 HydrophobicContact CG2-CD1 4.06Å; I8-F56 HydrophobicContact CG2-CD2 3.86Å; I8-F56 HydrophobicContact CG2-CE1 3.98Å; I8-F56 HydrophobicContact CG2-CE2 3.77Å; I8-F56 HydrophobicContact CG2-CG 3.99Å; I8-F56 HydrophobicContact CG2-CZ 3.83Å; L19-F56 HydrophobicContact CD2-CD2 3.72Å; L19-F56 HydrophobicContact CD2-CE2 3.86Å; E21-F56 PolarHBondContact OE2-N 3.37Å; F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.15Å; F56-K81 HydrophobicContact CD1-CB 4.38Å; F56-K81 HydrophobicContact CE1-CB 4.16Å; F56-F98 HydrophobicContact CE2-CE1 4.19Å; F56-F98 HydrophobicContact CE2-CE2 4.49Å; F56-F98 AromaticContact CE2-CZ 3.9Å; F56-F98 HydrophobicContact CE2-CZ 3.9Å; F56-F98 HydrophobicContact CZ-CE1 4.02Å; F56-F98 HydrophobicContact CZ-CZ 4.21Å
57	G	80.2	Confident	88.1	Confident	32 Å²	32	73.5 Å²	73.5	33%	0.33	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-0.4	-178.5	0	0	0	0	0	117.8
58	K	74.5	Confident	87.9	Confident	145 Å²	145	77 Å²	77	63%	0.63	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.2	-179.1	-73.9	175.9	-172.1	148.8	0	113.7	F56 G82 T83	F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.15Å; K58-G82 PolarHBondContact NZ-O 3.08Å; K58-T83 HydrophobicContact CG-CG2 3.95Å; K58-T83 PolarHBondContact NZ-O 3.36Å; K58-T83 VanDerWaalsContact NZ-O 3.11Å
59	A	68.6	Low	87.5	Confident	38 Å²	38	76.8 Å²	76.8	31%	0.314	41%	0.411	S	S	.	.	S	Bend	trans	-127.9	157.6	-175.4	0	0	0	0	0	109.5	T6 E62	T6-A59 VanDerWaalsContact CB-O 3.29Å; T6-A59 WeakPolarHBondContact CB-O 3.35Å; T6-A59 VanDerWaalsContact CG2-O 3.23Å; T6-A59 WeakPolarHBondContact CG2-O 3.2Å; A59-E62 HydrophobicContact CB-CB 4.43Å
60	G	83.6	Confident	86.9	Confident	48 Å²	48	78.1 Å²	78.1	50%	0.495	41%	0.414	S	S	.	.	S	Bend	trans	-63.9	-89.7	168.6	0	0	0	0	0	109.9	T6 G7	T6-G60 CarbonylContact C-O 3.58Å; T6-G60 VanDerWaalsContact C-O 3.31Å; T6-G60 WeakPolarHBondContact CA-O 3.42Å; G7-G60 PolarHBondContact N-O 3.35Å
61	M	90.4	Very high	86.1	Confident	80 Å²	80	78.2 Å²	78.2	39%	0.394	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.9	171	-173.3	55.2	50.3	0	0	109	G7 I8 L9 Q18 L20	G7-M61 VanDerWaalsContact C-SD 3.6Å; I8-M61 PolarHBondContact N-SD 3.36Å; L9-M61 HydrophobicContact CB-CG 4.43Å; L9-M61 HydrophobicContact CB-SD 4.09Å; Q18-M61 HydrophobicContact CG-SD 4.3Å; L20-M61 HydrophobicContact CD2-CE 3.42Å; L20-M61 VanDerWaalsContact CD2-CE 3.42Å
62	E	87.9	Confident	85.7	Confident	43 Å²	43	83 Å²	83	20%	0.201	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.3	175.1	-172.3	160.8	-170.3	0	0	110.3	G7 I8 L9 A59 K81	G7-E62 PolarHBondContact O-N 3.03Å; G7-E62 VanDerWaalsContact O-N 3.14Å; I8-E62 CarbonylContact C-O 3.57Å; I8-E62 WeakPolarHBondContact CA-O 3.32Å; I8-E62 HydrophobicContact CG1-CB 4.18Å; I8-E62 WeakPolarHBondContact CG1-O 3.45Å; L9-E62 PolarHBondContact N-O 3.25Å; A59-E62 HydrophobicContact CB-CB 4.43Å; E62-K81 WeakPolarHBondContact OE1-CD 3.17Å; E62-K81 WeakPolarHBondContact OE1-CE 3.46Å; E62-K81 IonicContact OE1-NZ 3.56Å; E62-K81 PolarHBondContact OE1-NZ 2.85Å; E62-K81 WeakPolarHBondContact OE2-CB 3.33Å
63	L	91	Very high	85.6	Confident	117 Å²	117	81.7 Å²	81.7	61%	0.613	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.6	172.9	175.6	66.3	0	0	0	109.1	L9	L9-L63 HydrophobicContact CB-CD1 4.35Å; L9-L63 HydrophobicContact CD2-CD1 3.93Å; L9-L63 HydrophobicContact CG-CD1 3.97Å; L9-L63 CarbonylContact O-C 3.57Å; L9-L63 WeakPolarHBondContact O-CA 3.34Å
64	F	92.1	Very high	85.5	Confident	8 Å²	8	79 Å²	79	4%	0.035	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110.6	179.8	-162.3	-72.2	0	0	0	110.3	I8 L9 L10 F11 L66 H69 V74 A77 V78 K81	I8-F64 HydrophobicContact CD1-CB 4.35Å; L9-F64 PolarHBondContact O-N 3.03Å; L10-F64 WeakPolarHBondContact CA-O 3.37Å; L10-F64 HydrophobicContact CD2-CB 3.7Å; L10-F64 HydrophobicContact CD2-CD1 4.48Å; L10-F64 HydrophobicContact CD2-CG 4.25Å; F11-F64 PolarHBondContact N-O 3.17Å; F64-L66 HydrophobicContact CD1-CD2 3.72Å; F64-L66 HydrophobicContact CE1-CD2 3.88Å; F64-H69 AromaticContact CE1-CD2 3.34Å; F64-H69 WeakPolarHBondContact CE1-CD2 3.37Å; F64-H69 AromaticContact CE1-CG 3.95Å; F64-H69 AromaticContact CE1-NE2 3.59Å; F64-H69 AromaticContact CE2-NE2 3.88Å; F64-H69 AromaticContact CZ-CD2 3.43Å; F64-H69 VanDerWaalsContact CZ-CD2 3.43Å; F64-H69 WeakPolarHBondContact CZ-CD2 3.49Å; F64-H69 AromaticContact CZ-CE1 3.56Å; F64-H69 AromaticContact CZ-CG 3.87Å; F64-H69 AromaticContact CZ-ND1 3.93Å; F64-H69 AromaticContact CZ-NE2 3.23Å; F64-H69 WeakPolarHBondContact CZ-NE2 2.99Å; F64-V74 HydrophobicContact CE1-CG2 4Å; F64-A77 HydrophobicContact CE2-CB 4.24Å; F64-A77 HydrophobicContact CZ-CB 3.76Å; F64-V78 HydrophobicContact CD1-CG2 3.69Å; F64-V78 HydrophobicContact CD2-CG2 4.09Å; F64-V78 HydrophobicContact CE1-CG2 3.54Å; F64-V78 HydrophobicContact CE2-CG2 3.94Å; F64-V78 HydrophobicContact CG-CG2 3.97Å; F64-V78 HydrophobicContact CZ-CG2 3.67Å; F64-K81 HydrophobicContact CD2-CG 4.28Å; F64-K81 HydrophobicContact CE2-CG 4.4Å
65	D	93.4	Very high	85.2	Confident	33 Å²	33	77 Å²	77	18%	0.176	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	107.1	176.6	-170.9	-17.8	0	0	0	109.7	R67 L68	D65-R67 PolarHBondContact O-N 3.44Å; D65-R67 VanDerWaalsContact O-N 3.12Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.49Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.67Å; D65-R67 PolarHBondContact OD1-N 3.13Å; D65-R67 VanDerWaalsContact OD1-N 3.09Å; D65-R67 IonicContact OD1-NE 3.69Å; D65-R67 PolarHBondContact OD1-NE 2.79Å; D65-R67 IonicContact OD1-NH2 3.91Å; D65-R67 IonicContact OD2-CZ 2.96Å; D65-R67 IonicContact OD2-NE 3.46Å; D65-R67 PolarHBondContact OD2-NE 3.27Å; D65-R67 IonicContact OD2-NH2 3.73Å; D65-R67 PolarHBondContact OD2-NH2 2.88Å; D65-L68 HydrophobicContact CB-CD1 3.95Å; D65-L68 HydrophobicContact CB-CG 4.02Å; D65-L68 PolarHBondContact O-N 2.81Å; D65-L68 VanDerWaalsContact O-N 3.14Å
66	L	91.6	Very high	85.1	Confident	21 Å²	21	79.9 Å²	79.9	11%	0.11	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-62.3	-22.1	-176	-59.5	177.1	0	0	0	112.3	F11 N12 F64 L68 H69 V74 V78 F101 V102	F11-L66 WeakPolarHBondContact O-CB 3.39Å; F11-L66 WeakPolarHBondContact O-CG 3.42Å; F11-L66 PolarHBondContact O-N 3.36Å; N12-L66 HydrophobicContact CB-CD1 3.95Å; F64-L66 HydrophobicContact CD1-CD2 3.72Å; F64-L66 HydrophobicContact CE1-CD2 3.88Å; L66-L68 PolarHBondContact O-N 2.9Å; L66-H69 PolarHBondContact O-N 3.34Å; L66-V74 HydrophobicContact CB-CG2 4.28Å; L66-V74 HydrophobicContact CD2-CG2 3.5Å; L66-V74 HydrophobicContact CG-CG2 4.48Å; L66-V78 HydrophobicContact CD2-CG2 4.07Å; L66-F101 HydrophobicContact CD1-CD1 3.96Å; L66-F101 HydrophobicContact CD1-CE1 3.68Å; L66-V102 HydrophobicContact CD1-CG2 4.22Å; L66-V102 HydrophobicContact CD2-CG2 3.92Å
67	R	90.4	Very high	85	Confident	149 Å²	149	80.6 Å²	80.6	56%	0.562	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-72.4	-13.8	-179.5	-56.3	172.4	-65.4	172.6	8.5	113.2	D65 H69	D65-R67 PolarHBondContact O-N 3.44Å; D65-R67 VanDerWaalsContact O-N 3.12Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.49Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.67Å; D65-R67 PolarHBondContact OD1-N 3.13Å; D65-R67 VanDerWaalsContact OD1-N 3.09Å; D65-R67 IonicContact OD1-NE 3.69Å; D65-R67 PolarHBondContact OD1-NE 2.79Å; D65-R67 IonicContact OD1-NH2 3.91Å; D65-R67 IonicContact OD2-CZ 2.96Å; D65-R67 IonicContact OD2-NE 3.46Å; D65-R67 PolarHBondContact OD2-NE 3.27Å; D65-R67 IonicContact OD2-NH2 3.73Å; D65-R67 PolarHBondContact OD2-NH2 2.88Å; R67-H69 VanDerWaalsContact C-N 3.31Å
68	L	90.6	Very high	85.2	Confident	136 Å²	136	79.1 Å²	79.1	71%	0.712	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-89.6	2.4	179.3	-57.2	-178.6	0	0	0	112.9	D65 L66	D65-L68 HydrophobicContact CB-CD1 3.95Å; D65-L68 HydrophobicContact CB-CG 4.02Å; D65-L68 PolarHBondContact O-N 2.81Å; D65-L68 VanDerWaalsContact O-N 3.14Å; L66-L68 PolarHBondContact O-N 2.9Å
69	H	88.6	Confident	85.6	Confident	80 Å²	80	73.7 Å²	73.7	37%	0.37	37%	0.371	S	S	.	.	S	Bend	trans	-127.4	146.3	-174.9	-67.5	-92.5	0	0	0	111.2	F64 L66 R67 V74	F64-H69 AromaticContact CE1-CD2 3.34Å; F64-H69 WeakPolarHBondContact CE1-CD2 3.37Å; F64-H69 AromaticContact CE1-CG 3.95Å; F64-H69 AromaticContact CE1-NE2 3.59Å; F64-H69 AromaticContact CE2-NE2 3.88Å; F64-H69 AromaticContact CZ-CD2 3.43Å; F64-H69 VanDerWaalsContact CZ-CD2 3.43Å; F64-H69 WeakPolarHBondContact CZ-CD2 3.49Å; F64-H69 AromaticContact CZ-CE1 3.56Å; F64-H69 AromaticContact CZ-CG 3.87Å; F64-H69 AromaticContact CZ-ND1 3.93Å; F64-H69 AromaticContact CZ-NE2 3.23Å; F64-H69 WeakPolarHBondContact CZ-NE2 2.99Å; L66-H69 PolarHBondContact O-N 3.34Å; R67-H69 VanDerWaalsContact C-N 3.31Å; H69-V74 HydrophobicContact CB-CB 3.75Å; H69-V74 HydrophobicContact CB-CG2 3.74Å
70	E	82.5	Confident	86.4	Confident	150 Å²	150	77.2 Å²	77.2	70%	0.701	39%	0.385	S	S	*	.			trans	-67.6	145.2	172.4	-70.3	-65.6	161.3	0	0	110.8	D72 D73 V74	E70-D72 PolarHBondContact O-N 2.89Å; E70-D72 VanDerWaalsContact O-N 3.16Å; E70-D73 PolarHBondContact O-N 2.75Å; E70-D73 VanDerWaalsContact O-N 3.15Å; E70-V74 WeakPolarHBondContact O-CB 3.45Å; E70-V74 PolarHBondContact O-N 3.02Å
71	R	77.1	Confident	86.4	Confident	186 Å²	186	79 Å²	79	70%	0.702	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.5	-172	-168	177.5	-177.3	165.8	3	113.5	V74	R71-V74 WeakPolarHBondContact O-CG1 3.42Å
72	D	79.5	Confident	85.9	Confident	153 Å²	153	75.3 Å²	75.3	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-26.5	-177.1	-64.6	-20.7	0	0	0	112.5	E70	E70-D72 PolarHBondContact O-N 2.89Å; E70-D72 VanDerWaalsContact O-N 3.16Å
73	D	84.1	Confident	85.2	Confident	109 Å²	109	75.6 Å²	75.6	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-17.4	-173.7	-67	-30.9	0	0	0	113.5	E70 L75 Q76 A77	E70-D73 PolarHBondContact O-N 2.75Å; E70-D73 VanDerWaalsContact O-N 3.15Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 2.96Å; D73-Q76 PolarHBondContact O-N 3.17Å; D73-Q76 VanDerWaalsContact O-N 3.11Å; D73-A77 PolarHBondContact O-N 3.14Å
74	V	85.5	Confident	84	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.048	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-39.6	-171.8	62.1	0	0	0	0	113	F64 L66 H69 E70 R71 A77 V78 V102	F64-V74 HydrophobicContact CE1-CG2 4Å; L66-V74 HydrophobicContact CB-CG2 4.28Å; L66-V74 HydrophobicContact CD2-CG2 3.5Å; L66-V74 HydrophobicContact CG-CG2 4.48Å; H69-V74 HydrophobicContact CB-CB 3.75Å; H69-V74 HydrophobicContact CB-CG2 3.74Å; E70-V74 WeakPolarHBondContact O-CB 3.45Å; E70-V74 PolarHBondContact O-N 3.02Å; R71-V74 WeakPolarHBondContact O-CG1 3.42Å; V74-A77 PolarHBondContact O-N 3.41Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.37Å; V74-V102 HydrophobicContact CB-CG1 4.38Å; V74-V102 HydrophobicContact CG1-CG1 3.49Å; V74-V102 VanDerWaalsContact CG1-CG1 3.49Å; V74-V102 HydrophobicContact CG2-CG1 4.14Å
75	L	83.3	Confident	82.3	Confident	27 Å²	27	80 Å²	80	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-43.5	179.9	-176.8	63.4	0	0	0	111.4	D73 A77 V78 F79 R99 V102	D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 2.96Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-V78 PolarHBondContact O-N 3.4Å; L75-F79 HydrophobicContact CD1-CE1 4.11Å; L75-F79 HydrophobicContact CD1-CE2 3.88Å; L75-F79 HydrophobicContact CD1-CZ 3.64Å; L75-F79 HydrophobicContact CD2-CE2 4.16Å; L75-F79 HydrophobicContact CG-CD2 4.24Å; L75-F79 HydrophobicContact CG-CE2 3.75Å; L75-F79 HydrophobicContact CG-CZ 4.07Å; L75-F79 WeakPolarHBondContact O-CG 3.47Å; L75-F79 PolarHBondContact O-N 3.26Å; L75-F79 VanDerWaalsContact O-N 3.09Å; L75-R99 HydrophobicContact CD1-CB 4.29Å; L75-R99 HydrophobicContact CD2-CB 4.44Å; L75-R99 HydrophobicContact CD2-CG 3.98Å; L75-V102 HydrophobicContact CB-CG1 4.17Å; L75-V102 HydrophobicContact CD1-CB 4.24Å; L75-V102 HydrophobicContact CD1-CG1 4.31Å; L75-V102 HydrophobicContact CD1-CG2 4.41Å
76	Q	84	Confident	80.2	Confident	109 Å²	109	87.5 Å²	87.5	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-41	177.5	-171.6	59	49.3	0	0	110.7	D73 V78 F79 D80	D73-Q76 PolarHBondContact O-N 3.17Å; D73-Q76 VanDerWaalsContact O-N 3.11Å; Q76-V78 VanDerWaalsContact C-N 3.26Å; Q76-V78 PolarHBondContact O-N 3.19Å; Q76-F79 PolarHBondContact O-N 3.35Å; Q76-F79 VanDerWaalsContact O-N 3.11Å; Q76-D80 PolarHBondContact NE2-OD1 3.09Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.36Å
77	A	86.2	Confident	78.2	Confident	21 Å²	21	93.5 Å²	93.5	17%	0.174	44%	0.443	C	S	.	.	H	α-helix	trans	-60.6	-35	177.1	0	0	0	0	0	112.7	F64 D73 V74 L75	F64-A77 HydrophobicContact CE2-CB 4.24Å; F64-A77 HydrophobicContact CZ-CB 3.76Å; D73-A77 PolarHBondContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.41Å; L75-A77 VanDerWaalsContact C-N 3.34Å
78	V	84.7	Confident	76.7	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-68.9	-45.3	172.6	173.8	0	0	0	0	111.1	I8 L10 F64 L66 V74 L75 Q76 D80 K81 F98	I8-V78 HydrophobicContact CD1-CG1 4.16Å; L10-V78 HydrophobicContact CD2-CG1 3.99Å; L10-V78 HydrophobicContact CD2-CG2 4.1Å; F64-V78 HydrophobicContact CD1-CG2 3.69Å; F64-V78 HydrophobicContact CD2-CG2 4.09Å; F64-V78 HydrophobicContact CE1-CG2 3.54Å; F64-V78 HydrophobicContact CE2-CG2 3.94Å; F64-V78 HydrophobicContact CG-CG2 3.97Å; F64-V78 HydrophobicContact CZ-CG2 3.67Å; L66-V78 HydrophobicContact CD2-CG2 4.07Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.37Å; L75-V78 PolarHBondContact O-N 3.4Å; Q76-V78 VanDerWaalsContact C-N 3.26Å; Q76-V78 PolarHBondContact O-N 3.19Å; V78-D80 VanDerWaalsContact C-N 3.32Å; V78-D80 PolarHBondContact O-N 3.15Å; V78-K81 VanDerWaalsContact O-CB 3.29Å; V78-K81 WeakPolarHBondContact O-CB 3.41Å; V78-K81 PolarHBondContact O-N 2.81Å; V78-F98 HydrophobicContact CG1-CD1 3.67Å; V78-F98 HydrophobicContact CG1-CE1 3.99Å
79	F	83.3	Confident	75.1	Confident	31 Å²	31	85.7 Å²	85.7	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-66.8	-31.2	179.5	-69.3	-20.3	0	0	0	113.7	L75 Q76 K81 G82 L88 L95 F98	L75-F79 HydrophobicContact CD1-CE1 4.11Å; L75-F79 HydrophobicContact CD1-CE2 3.88Å; L75-F79 HydrophobicContact CD1-CZ 3.64Å; L75-F79 HydrophobicContact CD2-CE2 4.16Å; L75-F79 HydrophobicContact CG-CD2 4.24Å; L75-F79 HydrophobicContact CG-CE2 3.75Å; L75-F79 HydrophobicContact CG-CZ 4.07Å; L75-F79 WeakPolarHBondContact O-CG 3.47Å; L75-F79 PolarHBondContact O-N 3.26Å; L75-F79 VanDerWaalsContact O-N 3.09Å; Q76-F79 PolarHBondContact O-N 3.35Å; Q76-F79 VanDerWaalsContact O-N 3.11Å; F79-K81 PolarHBondContact O-N 2.77Å; F79-K81 VanDerWaalsContact O-N 3.11Å; F79-G82 PolarHBondContact O-N 2.84Å; F79-L88 HydrophobicContact CB-CD1 3.8Å; F79-L88 HydrophobicContact CD1-CD1 4.33Å; F79-L88 HydrophobicContact CG-CD1 4.18Å; F79-L88 WeakPolarHBondContact O-CD1 3.26Å; F79-L95 HydrophobicContact CD1-CD2 4.34Å; F79-L95 HydrophobicContact CE1-CB 4.13Å; F79-L95 HydrophobicContact CE1-CD2 3.96Å; F79-L95 HydrophobicContact CE1-CG 4.46Å; F79-L95 HydrophobicContact CZ-CB 4.24Å; F79-F98 HydrophobicContact CE1-CB 4.29Å
80	D	84.1	Confident	73.8	Confident	112 Å²	112	90.3 Å²	90.3	60%	0.599	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.6	175.7	-72.2	-13.4	0	0	0	112.9	Q76 V78 G82	Q76-D80 PolarHBondContact NE2-OD1 3.09Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.36Å; V78-D80 VanDerWaalsContact C-N 3.32Å; V78-D80 PolarHBondContact O-N 3.15Å; D80-G82 VanDerWaalsContact C-N 3.3Å
81	K	83.4	Confident	73.4	Confident	85 Å²	85	89.9 Å²	89.9	37%	0.37	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15	171.4	-56.6	-48.3	-168.8	135.9	0	113.9	I8 F56 E62 F64 V78 F79	I8-K81 HydrophobicContact CD1-CB 4.34Å; F56-K81 HydrophobicContact CD1-CB 4.38Å; F56-K81 HydrophobicContact CE1-CB 4.16Å; E62-K81 WeakPolarHBondContact OE1-CD 3.17Å; E62-K81 WeakPolarHBondContact OE1-CE 3.46Å; E62-K81 IonicContact OE1-NZ 3.56Å; E62-K81 PolarHBondContact OE1-NZ 2.85Å; E62-K81 WeakPolarHBondContact OE2-CB 3.33Å; F64-K81 HydrophobicContact CD2-CG 4.28Å; F64-K81 HydrophobicContact CE2-CG 4.4Å; V78-K81 VanDerWaalsContact O-CB 3.29Å; V78-K81 WeakPolarHBondContact O-CB 3.41Å; V78-K81 PolarHBondContact O-N 2.81Å; F79-K81 PolarHBondContact O-N 2.77Å; F79-K81 VanDerWaalsContact O-N 3.11Å
82	G	81.6	Confident	73.7	Confident	4 Å²	4	82.6 Å²	82.6	4%	0.041	41%	0.409	C	S	.	.	S	Bend	trans	-63.9	165.1	-179.3	0	0	0	0	0	114.7	R55 K58 F79 D80	R55-G82 CarbonylContact O-C 3.51Å; R55-G82 WeakPolarHBondContact O-CA 3.37Å; K58-G82 PolarHBondContact NZ-O 3.08Å; F79-G82 PolarHBondContact O-N 2.84Å; D80-G82 VanDerWaalsContact C-N 3.3Å
83	T	73	Confident	74.2	Confident	49 Å²	49	82 Å²	82	30%	0.301	40%	0.395	S	S	.	.	S	Bend	trans	-70.3	-38.1	174.2	43	0	0	0	0	112.1	R54 R55 K58	R54-T83 PolarHBondContact O-OG1 2.82Å; R55-T83 PolarHBondContact O-N 2.77Å; R55-T83 PolarHBondContact O-OG1 2.89Å; K58-T83 HydrophobicContact CG-CG2 3.95Å; K58-T83 PolarHBondContact NZ-O 3.36Å; K58-T83 VanDerWaalsContact NZ-O 3.11Å
84	S	65.2	Low	74.3	Confident	29 Å²	29	77 Å²	77	20%	0.203	37%	0.369	C	S	.	.			trans	-104.2	123.8	-174	-173.4	0	0	0	0	112.6	F86 Q87	S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.27Å; S84-F86 PolarHBondContact OG-N 3.41Å; S84-Q87 VanDerWaalsContact OG-CB 3.25Å; S84-Q87 WeakPolarHBondContact OG-CB 3.12Å; S84-Q87 PolarHBondContact OG-N 2.88Å
85	K	56	Low	74.3	Confident	187 Å²	187	77 Å²	77	81%	0.813	37%	0.369	S	S	*	.	S	Bend	trans	-75	-11.7	170.1	-80.1	-171.6	172.8	-172.5	0	113.5
86	F	49.7	Very low	74.6	Confident	191 Å²	191	80.2 Å²	80.2	84%	0.838	38%	0.383	S	S	*	.	S	Bend	trans	-136.2	-6	-166.6	-65.9	-77	0	0	0	115.4	S84	S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.27Å; S84-F86 PolarHBondContact OG-N 3.41Å
87	Q	50.5	Low	74.9	Confident	148 Å²	148	77.6 Å²	77.6	69%	0.692	37%	0.37	S	S	*	.			trans	-115.6	4.5	-178.2	-69.5	177.9	-45.3	0	0	114.7	S84 T89	S84-Q87 VanDerWaalsContact OG-CB 3.25Å; S84-Q87 WeakPolarHBondContact OG-CB 3.12Å; S84-Q87 PolarHBondContact OG-N 2.88Å; Q87-T89 PolarHBondContact O-N 3.45Å
88	L	58.2	Low	75	Confident	42 Å²	42	76.6 Å²	76.6	22%	0.22	36%	0.362	C	S	.	.			trans	-74.9	66.4	166.5	-62.2	178.2	0	0	0	107.7	F79 L95	F79-L88 HydrophobicContact CB-CD1 3.8Å; F79-L88 HydrophobicContact CD1-CD1 4.33Å; F79-L88 HydrophobicContact CG-CD1 4.18Å; F79-L88 WeakPolarHBondContact O-CD1 3.26Å; L88-L95 HydrophobicContact CB-CD1 3.55Å; L88-L95 HydrophobicContact CD2-CD1 3.3Å; L88-L95 HydrophobicContact CD2-CD2 3.83Å; L88-L95 HydrophobicContact CD2-CG 4.11Å; L88-L95 HydrophobicContact CG-CD1 3.92Å
89	T	56.1	Low	75.2	Confident	79 Å²	79	82.4 Å²	82.4	49%	0.485	38%	0.384	S	S	.	.			trans	-69	146	174.4	48.2	0	0	0	0	108.2	Q87 D91 D92	Q87-T89 PolarHBondContact O-N 3.45Å; T89-D91 PolarHBondContact O-N 3.1Å; T89-D92 PolarHBondContact O-N 2.97Å
90	Y	61.3	Low	75.5	Confident	177 Å²	177	82.9 Å²	82.9	69%	0.694	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.6	177.3	-82	-87.6	0	0	0	113.9	Q96	Y90-Q96 PolarHBondContact O-NE2 3.01Å
91	D	74.1	Confident	75.8	Confident	141 Å²	141	77.8 Å²	77.8	75%	0.754	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.6	-179.4	-59.1	-30.8	0	0	0	114.1	T89 R93	T89-D91 PolarHBondContact O-N 3.1Å; D91-R93 PolarHBondContact O-N 3.22Å
92	D	84.7	Confident	76.1	Confident	32 Å²	32	74.6 Å²	74.6	17%	0.171	35%	0.349	C	S	.	.			trans	-75.3	118.7	174	-174	-68.8	0	0	0	111.3	R55 T89 A94 L95 Q96	R55-D92 IonicContact CZ-OD1 2.84Å; R55-D92 IonicContact CZ-OD2 3.53Å; R55-D92 VanDerWaalsContact CZ-OD2 3.29Å; R55-D92 IonicContact NE-OD1 3.99Å; R55-D92 PolarHBondContact NE-OD1 3.02Å; R55-D92 VanDerWaalsContact NE-OD1 3.12Å; R55-D92 IonicContact NE-OD2 3.43Å; R55-D92 PolarHBondContact NE-OD2 2.96Å; R55-D92 IonicContact NH2-OD1 3.51Å; R55-D92 IonicContact NH2-OD2 3.87Å; R55-D92 PolarHBondContact NH2-OD2 3.32Å; T89-D92 PolarHBondContact O-N 2.97Å; D92-A94 PolarHBondContact O-N 3.29Å; D92-A94 WeakPolarHBondContact OD1-CA 3.33Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 3.11Å; D92-L95 HydrophobicContact CB-CB 4.23Å; D92-L95 HydrophobicContact CB-CD1 3.74Å; D92-L95 HydrophobicContact CB-CG 3.85Å; D92-L95 PolarHBondContact O-N 3.12Å; D92-L95 VanDerWaalsContact O-N 3.15Å; D92-L95 PolarHBondContact OD1-N 2.85Å; D92-Q96 WeakPolarHBondContact O-CG 3.33Å; D92-Q96 PolarHBondContact O-N 3.3Å
93	R	89	Confident	76.3	Confident	141 Å²	141	77 Å²	77	53%	0.532	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-37.6	-176.2	-170.9	177	-178	-173.1	0.5	113.6	D91 L95 Q96 F97	D91-R93 PolarHBondContact O-N 3.22Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-Q96 PolarHBondContact O-N 3.36Å; R93-F97 HydrophobicContact CG-CE2 4.27Å; R93-F97 WeakPolarHBondContact O-CD2 3.41Å; R93-F97 PolarHBondContact O-N 2.89Å
94	A	87.3	Confident	76.9	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.033	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-43.4	177.5	0	0	0	0	0	109.6	L47 D92 Q96 F97 F98	L47-A94 HydrophobicContact CD2-CB 4.21Å; D92-A94 PolarHBondContact O-N 3.29Å; D92-A94 WeakPolarHBondContact OD1-CA 3.33Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 3.11Å; A94-Q96 VanDerWaalsContact C-N 3.31Å; A94-Q96 PolarHBondContact O-N 2.92Å; A94-F97 WeakPolarHBondContact O-CB 3.47Å; A94-F97 PolarHBondContact O-N 2.97Å; A94-F97 VanDerWaalsContact O-N 3.16Å; A94-F98 VanDerWaalsContact O-CD2 3.25Å; A94-F98 WeakPolarHBondContact O-CD2 3.34Å; A94-F98 PolarHBondContact O-N 3.3Å
95	L	85	Confident	77.7	Confident	8 Å²	8	79 Å²	79	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-68.2	-28.1	178.7	-54.5	179.4	0	0	0	113.7	F79 L88 D92 R93 F97 F98 R99	F79-L95 HydrophobicContact CD1-CD2 4.34Å; F79-L95 HydrophobicContact CE1-CB 4.13Å; F79-L95 HydrophobicContact CE1-CD2 3.96Å; F79-L95 HydrophobicContact CE1-CG 4.46Å; F79-L95 HydrophobicContact CZ-CB 4.24Å; L88-L95 HydrophobicContact CB-CD1 3.55Å; L88-L95 HydrophobicContact CD2-CD1 3.3Å; L88-L95 HydrophobicContact CD2-CD2 3.83Å; L88-L95 HydrophobicContact CD2-CG 4.11Å; L88-L95 HydrophobicContact CG-CD1 3.92Å; D92-L95 HydrophobicContact CB-CB 4.23Å; D92-L95 HydrophobicContact CB-CD1 3.74Å; D92-L95 HydrophobicContact CB-CG 3.85Å; D92-L95 PolarHBondContact O-N 3.12Å; D92-L95 VanDerWaalsContact O-N 3.15Å; D92-L95 PolarHBondContact OD1-N 2.85Å; R93-L95 VanDerWaalsContact C-N 3.33Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F98 WeakPolarHBondContact O-CB 3.37Å; L95-F98 PolarHBondContact O-N 3.14Å; L95-R99 PolarHBondContact O-N 2.81Å
96	Q	89.1	Confident	79	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-41.8	171.6	-71.5	176.1	2.3	0	0	111.2	Y90 D92 R93 A94 F98 R99 T100	Y90-Q96 PolarHBondContact O-NE2 3.01Å; D92-Q96 WeakPolarHBondContact O-CG 3.33Å; D92-Q96 PolarHBondContact O-N 3.3Å; R93-Q96 PolarHBondContact O-N 3.36Å; A94-Q96 VanDerWaalsContact C-N 3.31Å; A94-Q96 PolarHBondContact O-N 2.92Å; Q96-F98 VanDerWaalsContact C-N 3.33Å; Q96-F98 PolarHBondContact O-N 2.49Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.95Å; Q96-T100 PolarHBondContact O-N 2.87Å; Q96-T100 PolarHBondContact O-OG1 2.86Å; Q96-T100 VanDerWaalsContact O-OG1 3.14Å
97	F	91.3	Very high	80.6	Confident	54 Å²	54	69.4 Å²	69.4	24%	0.237	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-38.3	173.4	-76.3	-67.2	0	0	0	112.7	F17 L46 L47 R93 A94 L95 R99 T100 F101	F17-F97 HydrophobicContact CE2-CB 3.83Å; F17-F97 HydrophobicContact CZ-CB 3.6Å; L46-F97 HydrophobicContact CB-CD1 4.33Å; L46-F97 HydrophobicContact CB-CE1 4.05Å; L46-F97 HydrophobicContact CB-CE2 4.42Å; L46-F97 HydrophobicContact CB-CZ 4.08Å; L46-F97 HydrophobicContact CD1-CD1 4.04Å; L46-F97 HydrophobicContact CD1-CE1 4.38Å; L47-F97 HydrophobicContact CB-CE2 4.11Å; R93-F97 HydrophobicContact CG-CE2 4.27Å; R93-F97 WeakPolarHBondContact O-CD2 3.41Å; R93-F97 PolarHBondContact O-N 2.89Å; A94-F97 WeakPolarHBondContact O-CB 3.47Å; A94-F97 PolarHBondContact O-N 2.97Å; A94-F97 VanDerWaalsContact O-N 3.16Å; L95-F97 VanDerWaalsContact C-N 3.32Å; F97-R99 VanDerWaalsContact C-N 3.34Å; F97-R99 PolarHBondContact O-N 3.12Å; F97-T100 PolarHBondContact O-N 2.79Å; F97-F101 PolarHBondContact O-N 3.26Å
98	F	88.2	Confident	82.2	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-47.1	173.8	-83.9	-115	0	0	0	111.2	I8 L10 F17 L19 F56 V78 F79 A94 L95 Q96 T100 F101 V102	I8-F98 HydrophobicContact CG2-CE1 3.38Å; I8-F98 HydrophobicContact CG2-CZ 3.27Å; L10-F98 HydrophobicContact CD1-CD1 3.64Å; L10-F98 HydrophobicContact CD1-CE1 3.87Å; L10-F98 HydrophobicContact CD1-CG 4.42Å; L10-F98 HydrophobicContact CD2-CE1 4.21Å; L10-F98 HydrophobicContact CG-CD1 4.39Å; L10-F98 HydrophobicContact CG-CE1 4.12Å; F17-F98 HydrophobicContact CD1-CD2 4.41Å; F17-F98 HydrophobicContact CD1-CE2 4.25Å; F17-F98 HydrophobicContact CD1-CZ 4.34Å; F17-F98 AromaticContact CE1-CD2 3.53Å; F17-F98 HydrophobicContact CE1-CD2 3.53Å; F17-F98 HydrophobicContact CE1-CE1 4.5Å; F17-F98 AromaticContact CE1-CE2 3.39Å; F17-F98 HydrophobicContact CE1-CE2 3.39Å; F17-F98 HydrophobicContact CE1-CG 4.2Å; F17-F98 AromaticContact CE1-CZ 3.9Å; F17-F98 HydrophobicContact CE1-CZ 3.9Å; F17-F98 HydrophobicContact CZ-CD2 4.02Å; F17-F98 HydrophobicContact CZ-CE2 4.19Å; L19-F98 HydrophobicContact CB-CE2 3.9Å; L19-F98 HydrophobicContact CB-CZ 3.81Å; L19-F98 HydrophobicContact CD2-CE2 3.92Å; L19-F98 HydrophobicContact CD2-CZ 4.08Å; L19-F98 HydrophobicContact CG-CE2 4.46Å; F56-F98 HydrophobicContact CE2-CE1 4.19Å; F56-F98 HydrophobicContact CE2-CE2 4.49Å; F56-F98 AromaticContact CE2-CZ 3.9Å; F56-F98 HydrophobicContact CE2-CZ 3.9Å; F56-F98 HydrophobicContact CZ-CE1 4.02Å; F56-F98 HydrophobicContact CZ-CZ 4.21Å; V78-F98 HydrophobicContact CG1-CD1 3.67Å; V78-F98 HydrophobicContact CG1-CE1 3.99Å; F79-F98 HydrophobicContact CE1-CB 4.29Å; A94-F98 VanDerWaalsContact O-CD2 3.25Å; A94-F98 WeakPolarHBondContact O-CD2 3.34Å; A94-F98 PolarHBondContact O-N 3.3Å; L95-F98 WeakPolarHBondContact O-CB 3.37Å; L95-F98 PolarHBondContact O-N 3.14Å; Q96-F98 VanDerWaalsContact C-N 3.33Å; Q96-F98 PolarHBondContact O-N 2.49Å; F98-T100 VanDerWaalsContact C-N 3.34Å; F98-T100 PolarHBondContact O-N 2.84Å; F98-F101 PolarHBondContact O-N 3.11Å; F98-V102 WeakPolarHBondContact O-CB 3.46Å; F98-V102 VanDerWaalsContact O-CG2 3.23Å; F98-V102 WeakPolarHBondContact O-CG2 3.43Å; F98-V102 PolarHBondContact O-N 3.33Å
99	R	87.3	Confident	83.5	Confident	123 Å²	123	66.7 Å²	66.7	46%	0.464	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-46.6	177.9	-177.2	177.5	-177.3	-153	1.3	111.2	L75 L95 Q96 F97 F101 V102 L103	L75-R99 HydrophobicContact CD1-CB 4.29Å; L75-R99 HydrophobicContact CD2-CB 4.44Å; L75-R99 HydrophobicContact CD2-CG 3.98Å; L95-R99 PolarHBondContact O-N 2.81Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.95Å; F97-R99 VanDerWaalsContact C-N 3.34Å; F97-R99 PolarHBondContact O-N 3.12Å; R99-F101 VanDerWaalsContact C-N 3.32Å; R99-F101 PolarHBondContact O-N 3.4Å; R99-V102 PolarHBondContact O-N 3.26Å; R99-L103 HydrophobicContact CG-CD1 3.54Å; R99-L103 HydrophobicContact CG-CG 4.16Å; R99-L103 VanDerWaalsContact O-CB 3.25Å; R99-L103 WeakPolarHBondContact O-CB 3.12Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 2.9Å
100	T	89.9	Confident	85	Confident	40 Å²	40	66.4 Å²	66.4	25%	0.245	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-44.8	176.8	-62.2	0	0	0	0	111.7	Q96 F97 F98 A104 T105 E106	Q96-T100 PolarHBondContact O-N 2.87Å; Q96-T100 PolarHBondContact O-OG1 2.86Å; Q96-T100 VanDerWaalsContact O-OG1 3.14Å; F97-T100 PolarHBondContact O-N 2.79Å; F98-T100 VanDerWaalsContact C-N 3.34Å; F98-T100 PolarHBondContact O-N 2.84Å; T100-A104 WeakPolarHBondContact O-CA 3.49Å; T100-A104 PolarHBondContact O-N 3.23Å; T100-A104 VanDerWaalsContact O-N 3.07Å; T100-T105 PolarHBondContact O-N 2.94Å; T100-E106 HydrophobicContact CG2-CB 3.84Å; T100-E106 HydrophobicContact CG2-CG 3.61Å
101	F	91.7	Very high	86.2	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-69.1	-47.8	179.7	-176	-101	0	0	0	112.7	L10 N12 H15 F17 L66 F97 F98 R99 A104 Y110	L10-F101 HydrophobicContact CB-CD1 4.11Å; L10-F101 HydrophobicContact CB-CE1 3.76Å; L10-F101 HydrophobicContact CD1-CD1 3.85Å; L10-F101 HydrophobicContact CD1-CE1 4.35Å; N12-F101 HydrophobicContact CB-CE1 4.33Å; N12-F101 HydrophobicContact CB-CZ 4.17Å; H15-F101 HydrophobicContact CB-CE2 3.86Å; H15-F101 HydrophobicContact CB-CZ 4.12Å; F17-F101 HydrophobicContact CB-CB 4.41Å; F17-F101 HydrophobicContact CB-CD1 3.55Å; F17-F101 HydrophobicContact CB-CD2 3.72Å; F17-F101 HydrophobicContact CB-CE1 3.58Å; F17-F101 HydrophobicContact CB-CE2 3.75Å; F17-F101 HydrophobicContact CB-CG 3.61Å; F17-F101 HydrophobicContact CB-CZ 3.68Å; F17-F101 HydrophobicContact CD2-CB 3.84Å; F17-F101 AromaticContact CD2-CD2 3.97Å; F17-F101 HydrophobicContact CD2-CD2 3.97Å; F17-F101 AromaticContact CD2-CG 3.86Å; F17-F101 HydrophobicContact CD2-CG 3.86Å; F17-F101 HydrophobicContact CE2-CB 4.38Å; F17-F101 HydrophobicContact CG-CB 4.17Å; F17-F101 HydrophobicContact CG-CD1 4.12Å; F17-F101 HydrophobicContact CG-CD2 4.21Å; F17-F101 AromaticContact CG-CG 3.9Å; F17-F101 HydrophobicContact CG-CG 3.9Å; L66-F101 HydrophobicContact CD1-CD1 3.96Å; L66-F101 HydrophobicContact CD1-CE1 3.68Å; F97-F101 PolarHBondContact O-N 3.26Å; F98-F101 PolarHBondContact O-N 3.11Å; R99-F101 VanDerWaalsContact C-N 3.32Å; R99-F101 PolarHBondContact O-N 3.4Å; F101-A104 PolarHBondContact O-N 3.37Å; F101-Y110 HydrophobicContact CD2-CE2 4.29Å
102	V	88.8	Confident	86.8	Confident	18 Å²	18	59.1 Å²	59.1	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-39.4	-177.7	172.1	0	0	0	0	111.7	L10 L66 V74 L75 F98 R99 A104	L10-V102 HydrophobicContact CD1-CG2 3.94Å; L66-V102 HydrophobicContact CD1-CG2 4.22Å; L66-V102 HydrophobicContact CD2-CG2 3.92Å; V74-V102 HydrophobicContact CB-CG1 4.38Å; V74-V102 HydrophobicContact CG1-CG1 3.49Å; V74-V102 VanDerWaalsContact CG1-CG1 3.49Å; V74-V102 HydrophobicContact CG2-CG1 4.14Å; L75-V102 HydrophobicContact CB-CG1 4.17Å; L75-V102 HydrophobicContact CD1-CB 4.24Å; L75-V102 HydrophobicContact CD1-CG1 4.31Å; L75-V102 HydrophobicContact CD1-CG2 4.41Å; F98-V102 WeakPolarHBondContact O-CB 3.46Å; F98-V102 VanDerWaalsContact O-CG2 3.23Å; F98-V102 WeakPolarHBondContact O-CG2 3.43Å; F98-V102 PolarHBondContact O-N 3.33Å; R99-V102 PolarHBondContact O-N 3.26Å; V102-A104 VanDerWaalsContact C-N 3.27Å
103	L	86	Confident	86.8	Confident	54 Å²	54	57.9 Å²	57.9	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-82.1	-7.3	177.1	-61.7	-178.8	0	0	0	113.1	R99 T105	R99-L103 HydrophobicContact CG-CD1 3.54Å; R99-L103 HydrophobicContact CG-CG 4.16Å; R99-L103 VanDerWaalsContact O-CB 3.25Å; R99-L103 WeakPolarHBondContact O-CB 3.12Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 2.9Å; L103-T105 HydrophobicContact CB-CG2 3.88Å; L103-T105 PolarHBondContact O-N 2.82Å
104	A	84.9	Confident	86.4	Confident	37 Å²	37	54.4 Å²	54.4	31%	0.306	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	34.9	-178.1	0	0	0	0	0	113.7	T100 F101 V102 E106 Q107	T100-A104 WeakPolarHBondContact O-CA 3.49Å; T100-A104 PolarHBondContact O-N 3.23Å; T100-A104 VanDerWaalsContact O-N 3.07Å; F101-A104 PolarHBondContact O-N 3.37Å; V102-A104 VanDerWaalsContact C-N 3.27Å; A104-E106 VanDerWaalsContact C-N 3.29Å; A104-E106 PolarHBondContact O-N 3.34Å; A104-Q107 HydrophobicContact CB-CB 4.18Å
105	T	82.7	Confident	85.9	Confident	82 Å²	82	57 Å²	57	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.2	-174.1	51.8	0	0	0	0	113.4	T100 L103	T100-T105 PolarHBondContact O-N 2.94Å; L103-T105 HydrophobicContact CB-CG2 3.88Å; L103-T105 PolarHBondContact O-N 2.82Å
106	E	84	Confident	85.3	Confident	96 Å²	96	60.7 Å²	60.7	45%	0.449	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	13.8	-177.9	-63.7	-62.4	156.8	0	0	112.4	T100 A104 S108 T109 Y110	T100-E106 HydrophobicContact CG2-CB 3.84Å; T100-E106 HydrophobicContact CG2-CG 3.61Å; A104-E106 VanDerWaalsContact C-N 3.29Å; A104-E106 PolarHBondContact O-N 3.34Å; E106-S108 PolarHBondContact O-N 3.35Å; E106-S108 VanDerWaalsContact O-N 3.1Å; E106-T109 WeakPolarHBondContact O-CB 3.33Å; E106-T109 PolarHBondContact O-N 3.42Å; E106-T109 PolarHBondContact O-OG1 3.36Å; E106-Y110 HydrophobicContact CB-CE1 4.43Å; E106-Y110 WeakPolarHBondContact O-CE1 3.42Å
107	Q	83.1	Confident	84.6	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.379	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.8	-173.6	-172.1	178	4.9	0	0	113.3	A104 T109 Y110	A104-Q107 HydrophobicContact CB-CB 4.18Å; Q107-T109 PolarHBondContact O-N 2.82Å; Q107-T109 VanDerWaalsContact O-N 3.14Å; Q107-Y110 HydrophobicContact CB-CD2 4.44Å; Q107-Y110 HydrophobicContact CB-CE2 4.46Å; Q107-Y110 HydrophobicContact CG-CD2 4.11Å; Q107-Y110 HydrophobicContact CG-CE2 4.47Å; Q107-Y110 WeakPolarHBondContact O-CB 3.46Å; Q107-Y110 PolarHBondContact O-N 2.82Å; Q107-Y110 VanDerWaalsContact O-N 3.14Å
108	S	83.8	Confident	83.8	Confident	106 Å²	106	63.2 Å²	63.2	74%	0.741	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.8	-13.3	175.7	55.4	0	0	0	0	114.2	E106	E106-S108 PolarHBondContact O-N 3.35Å; E106-S108 VanDerWaalsContact O-N 3.1Å
109	T	84.6	Confident	83.1	Confident	28 Å²	28	69 Å²	69	17%	0.172	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-93.9	-3.6	178.2	69.1	0	0	0	0	113.1	E106 Q107 F111	E106-T109 WeakPolarHBondContact O-CB 3.33Å; E106-T109 PolarHBondContact O-N 3.42Å; E106-T109 PolarHBondContact O-OG1 3.36Å; Q107-T109 PolarHBondContact O-N 2.82Å; Q107-T109 VanDerWaalsContact O-N 3.14Å; T109-F111 PolarHBondContact O-N 3.45Å
110	Y	88.1	Confident	82.3	Confident	72 Å²	72	70.2 Å²	70.2	28%	0.282	38%	0.383	S	S	.	.			trans	-87	88	-178.9	-58	-8.2	0	0	0	108.8	H15 F101 E106 Q107 E112	H15-Y110 AromaticContact CD2-CD2 3.83Å; H15-Y110 AromaticContact NE2-CD2 3.97Å; F101-Y110 HydrophobicContact CD2-CE2 4.29Å; E106-Y110 HydrophobicContact CB-CE1 4.43Å; E106-Y110 WeakPolarHBondContact O-CE1 3.42Å; Q107-Y110 HydrophobicContact CB-CD2 4.44Å; Q107-Y110 HydrophobicContact CB-CE2 4.46Å; Q107-Y110 HydrophobicContact CG-CD2 4.11Å; Q107-Y110 HydrophobicContact CG-CE2 4.47Å; Q107-Y110 WeakPolarHBondContact O-CB 3.46Å; Q107-Y110 PolarHBondContact O-N 2.82Å; Q107-Y110 VanDerWaalsContact O-N 3.14Å; Y110-E112 PolarHBondContact O-N 2.85Å
111	F	86.7	Confident	81.5	Confident	52 Å²	52	73.1 Å²	73.1	23%	0.228	39%	0.392	C	S	.	.			trans	-77.6	117.3	179.7	-51.6	-45.6	0	0	0	110.5	T109 I113 W341 S344 A345	T109-F111 PolarHBondContact O-N 3.45Å; F111-I113 HydrophobicContact CB-CG1 4.42Å; F111-I113 PolarHBondContact O-N 3.5Å; F111-W341 HydrophobicContact CD2-CD2 4.43Å; F111-W341 AromaticContact CD2-CE2 3.85Å; F111-W341 HydrophobicContact CD2-CZ2 4.21Å; F111-W341 AromaticContact CD2-NE1 3.69Å; F111-W341 HydrophobicContact CE2-CZ2 4.05Å; F111-S344 WeakPolarHBondContact CZ-O 3.3Å; F111-A345 HydrophobicContact CE2-CB 3.75Å; F111-A345 HydrophobicContact CZ-CB 4.35Å
112	E	85.8	Confident	80.6	Confident	114 Å²	114	79.6 Å²	79.6	53%	0.533	43%	0.426	S	S	.	.			trans	-76.9	111.6	168.2	-71.2	-177.7	-177	0	0	108.6	Y110	Y110-E112 PolarHBondContact O-N 2.85Å
113	I	85.3	Confident	79.6	Confident	6 Å²	6	83.2 Å²	83.2	3%	0.031	46%	0.457	C	S	.	.			trans	-104.8	127.5	-176.9	-62.7	160.1	0	0	0	108.5	N42 F111 H305 M340 W341	N42-I113 WeakPolarHBondContact ND2-CB 3.45Å; N42-I113 PolarHBondContact ND2-N 2.9Å; N42-I113 PolarHBondContact ND2-O 2.82Å; N42-I113 PolarHBondContact OD1-N 3.4Å; N42-I113 PolarHBondContact OD1-O 3.03Å; F111-I113 HydrophobicContact CB-CG1 4.42Å; F111-I113 PolarHBondContact O-N 3.5Å; I113-H305 HydrophobicContact CD1-CB 4.19Å; I113-M340 HydrophobicContact CG1-CB 4.44Å; I113-M340 HydrophobicContact CG2-CB 3.4Å; I113-M340 HydrophobicContact CG2-CE 3.47Å; I113-M340 VanDerWaalsContact CG2-CE 3.47Å; I113-M340 HydrophobicContact CG2-CG 4.09Å; I113-M340 HydrophobicContact CG2-SD 3.59Å; I113-M340 VanDerWaalsContact CG2-SD 3.59Å; I113-W341 HydrophobicContact CD1-CB 3.38Å; I113-W341 VanDerWaalsContact CD1-CD1 3.49Å; I113-W341 HydrophobicContact CD1-CG 3.81Å
114	P	81	Confident	78.6	Confident	68 Å²	68	86.5 Å²	86.5	44%	0.442	48%	0.475	S	S	.	.			trans	-54.7	159	174.8	-23.6	32	0	0	0	113	S118 M340	P114-S118 VanDerWaalsContact CB-OG 3.26Å; P114-S118 WeakPolarHBondContact CB-OG 3.25Å; P114-M340 HydrophobicContact CB-SD 4.21Å; P114-M340 HydrophobicContact CG-SD 4.22Å; P114-M340 WeakPolarHBondContact O-CE 3.35Å
115	A	77.1	Confident	77.2	Confident	59 Å²	59	88.5 Å²	88.5	49%	0.488	50%	0.5	S	S	.	.			trans	-63.4	152.8	172.2	0	0	0	0	0	111.1	D117 S118	A115-D117 WeakPolarHBondContact CB-OD1 3.37Å; A115-D117 PolarHBondContact O-N 2.95Å; A115-S118 WeakPolarHBondContact O-CB 3.31Å; A115-S118 PolarHBondContact O-N 3.43Å; A115-S118 PolarHBondContact O-OG 3.13Å
116	E	71.1	Confident	76.2	Confident	84 Å²	84	88.1 Å²	88.1	39%	0.393	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-51.9	-33.6	-178.1	55.6	163.7	-169.8	0	0	113.9	S118 W119 H388	E116-S118 PolarHBondContact O-N 3.21Å; E116-W119 PolarHBondContact O-N 3.15Å; E116-H388 IonicContact OE2-CE1 3.01Å; E116-H388 PolarHBondContact OE2-CE1 3.25Å; E116-H388 IonicContact OE2-ND1 3.55Å; E116-H388 IonicContact OE2-NE2 2.83Å
117	D	75.3	Confident	75	Confident	133 Å²	133	90.9 Å²	90.9	71%	0.711	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-76.3	-3.1	-178.4	65.6	-23.4	0	0	0	113.5	A115 W119	A115-D117 WeakPolarHBondContact CB-OD1 3.37Å; A115-D117 PolarHBondContact O-N 2.95Å; D117-W119 PolarHBondContact O-N 3.33Å
118	S	75.2	Confident	73.8	Confident	69 Å²	69	94.1 Å²	94.1	48%	0.483	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19.1	170.3	-52	0	0	0	0	112.2	P114 A115 E116	P114-S118 VanDerWaalsContact CB-OG 3.26Å; P114-S118 WeakPolarHBondContact CB-OG 3.25Å; A115-S118 WeakPolarHBondContact O-CB 3.31Å; A115-S118 PolarHBondContact O-N 3.43Å; A115-S118 PolarHBondContact O-OG 3.13Å; E116-S118 PolarHBondContact O-N 3.21Å
119	W	71.9	Confident	72.5	Confident	120 Å²	120	98.1 Å²	98.1	46%	0.455	54%	0.538	S	S	.	.			trans	-120.9	145	-178.6	-64.3	97.1	0	0	0	112.5	E116 D117 F121 W339 M340	E116-W119 PolarHBondContact O-N 3.15Å; D117-W119 PolarHBondContact O-N 3.33Å; W119-F121 HydrophobicContact CB-CE2 3.99Å; W119-F121 HydrophobicContact CB-CZ 4.46Å; W119-W339 AromaticContact CD1-CZ3 3.85Å; W119-W339 AromaticContact CD2-CH2 3.67Å; W119-W339 HydrophobicContact CD2-CH2 3.67Å; W119-W339 AromaticContact CD2-CZ3 3.57Å; W119-W339 HydrophobicContact CD2-CZ3 3.57Å; W119-W339 AromaticContact CE2-CH2 3.51Å; W119-W339 AromaticContact CE2-CZ3 3.56Å; W119-W339 AromaticContact CE3-CH2 3.79Å; W119-W339 HydrophobicContact CE3-CH2 3.79Å; W119-W339 HydrophobicContact CE3-CZ3 4.09Å; W119-W339 HydrophobicContact CG-CH2 4.36Å; W119-W339 AromaticContact CG-CZ3 3.78Å; W119-W339 HydrophobicContact CG-CZ3 3.78Å; W119-W339 AromaticContact CH2-CH2 3.67Å; W119-W339 HydrophobicContact CH2-CH2 3.67Å; W119-W339 AromaticContact CZ2-CH2 3.53Å; W119-W339 HydrophobicContact CZ2-CH2 3.53Å; W119-W339 HydrophobicContact CZ2-CZ3 4.06Å; W119-W339 AromaticContact CZ3-CH2 3.8Å; W119-W339 HydrophobicContact CZ3-CH2 3.8Å; W119-W339 AromaticContact NE1-CZ3 3.71Å; W119-M340 PolarHBondContact NE1-SD 2.96Å
120	L	71.6	Confident	70.9	Confident	150 Å²	150	99 Å²	99	79%	0.785	54%	0.541	S	S	*	.			trans	-117.5	117.7	173.3	-171.7	80.8	0	0	0	109.4	I122	L120-I122 HydrophobicContact CD2-CD1 4.39Å; L120-I122 HydrophobicContact CD2-CG1 4.15Å; L120-I122 HydrophobicContact CG-CG1 4.46Å
121	F	73.5	Confident	69.2	Low	101 Å²	101	101.6 Å²	101.6	44%	0.443	56%	0.56	S	S	.	*			trans	-86.8	118.6	176.7	-65.7	-95.2	0	0	0	109.9	W119 P336 W339 L354	W119-F121 HydrophobicContact CB-CE2 3.99Å; W119-F121 HydrophobicContact CB-CZ 4.46Å; F121-P336 HydrophobicContact CD2-CG 4.36Å; F121-P336 HydrophobicContact CE2-CB 3.78Å; F121-P336 HydrophobicContact CE2-CG 3.35Å; F121-P336 HydrophobicContact CZ-CB 3.71Å; F121-P336 HydrophobicContact CZ-CG 3.59Å; F121-W339 HydrophobicContact CZ-CE3 4.39Å; F121-L354 HydrophobicContact CD1-CD1 4.25Å; F121-L354 HydrophobicContact CD1-CD2 4.41Å; F121-L354 HydrophobicContact CE1-CD1 3.9Å; F121-L354 HydrophobicContact CE1-CD2 4.2Å; F121-L354 HydrophobicContact CZ-CD2 4.46Å
122	I	72.9	Confident	67.4	Low	141 Å²	141	103.9 Å²	103.9	72%	0.723	58%	0.583	S	S	*	*			trans	-107.9	119.1	-179.4	-56.4	174.4	0	0	0	107.2	L120 D124	L120-I122 HydrophobicContact CD2-CD1 4.39Å; L120-I122 HydrophobicContact CD2-CG1 4.15Å; L120-I122 HydrophobicContact CG-CG1 4.46Å; I122-D124 PolarHBondContact O-N 3.28Å
123	A	68.1	Low	65.2	Low	94 Å²	94	104.2 Å²	104.2	78%	0.777	60%	0.596	S	S	*	*			trans	-67	128.2	172.8	0	0	0	0	0	109.3	G125	A123-G125 PolarHBondContact O-N 2.95Å
124	D	63.7	Low	63.4	Low	124 Å²	124	107.5 Å²	107.5	66%	0.663	62%	0.624	S	S	*	*			trans	-75.8	121.2	166	-159.8	-9.9	0	0	0	107.3	I122 S126	I122-D124 PolarHBondContact O-N 3.28Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 PolarHBondContact OD1-OG 3.35Å; D124-S126 PolarHBondContact OD2-OG 2.82Å
125	G	56.6	Low	61.8	Low	79 Å²	79	106.1 Å²	106.1	81%	0.814	61%	0.613	S	S	*	*			trans	-78.5	19.8	-177.5	0	0	0	0	0	113.2	A123 D127	A123-G125 PolarHBondContact O-N 2.95Å; G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.11Å
126	S	59.9	Low	60.3	Low	74 Å²	74	106.3 Å²	106.3	52%	0.517	61%	0.611	S	S	.	*			trans	-94.9	33.2	-170.6	65.1	0	0	0	0	113.1	D124 K128	D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 PolarHBondContact OD1-OG 3.35Å; D124-S126 PolarHBondContact OD2-OG 2.82Å; S126-K128 PolarHBondContact O-N 3.04Å; S126-K128 VanDerWaalsContact O-N 3.11Å
127	D	58.8	Low	59	Low	153 Å²	153	108.4 Å²	108.4	82%	0.818	63%	0.632	S	S	*	*			trans	-61.1	116.1	173.2	-66.5	-35.7	0	0	0	108.9	G125	G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.11Å
128	K	58.9	Low	57.3	Low	149 Å²	149	107.4 Å²	107.4	65%	0.648	63%	0.631	S	S	*	*			trans	-100.1	98	171.7	-76.3	-171.2	177.6	-175.3	0	108.1	S126	S126-K128 PolarHBondContact O-N 3.04Å; S126-K128 VanDerWaalsContact O-N 3.11Å
129	E	55.7	Low	56	Low	190 Å²	190	108 Å²	108	89%	0.888	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-74.9	125.8	165	-78.6	-177.1	164.6	0	0	109.4	D131	E129-D131 PolarHBondContact O-N 2.68Å
130	L	52.8	Low	55	Low	47 Å²	47	106.8 Å²	106.8	25%	0.246	63%	0.63	C	S	.	*	P	Polyproline II helix	trans	-69.7	121.9	165.7	-107	164.9	0	0	0	108.2	S132 A134 L135 M197 A200 L201	L130-S132 PolarHBondContact O-N 2.88Å; L130-S132 VanDerWaalsContact O-N 3.15Å; L130-A134 HydrophobicContact CD2-CB 4.48Å; L130-L135 HydrophobicContact CD1-CD1 4.48Å; L130-M197 HydrophobicContact CD1-CE 4.34Å; L130-A200 HydrophobicContact CD1-CB 4.49Å; L130-A200 HydrophobicContact CD2-CB 3.93Å; L130-L201 HydrophobicContact CB-CD2 4.39Å; L130-L201 HydrophobicContact CD1-CD1 4.03Å; L130-L201 HydrophobicContact CD1-CD2 3.57Å; L130-L201 HydrophobicContact CD1-CG 3.42Å; L130-L201 VanDerWaalsContact CD1-CG 3.42Å; L130-L201 HydrophobicContact CG-CD2 3.58Å; L130-L201 HydrophobicContact CG-CG 3.96Å
131	D	51.1	Low	54.3	Low	126 Å²	126	100.2 Å²	100.2	67%	0.674	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-59.9	119.3	175.5	-139.1	-10.5	0	0	0	108.7	E129 C133 A134	E129-D131 PolarHBondContact O-N 2.68Å; D131-C133 PolarHBondContact O-N 2.8Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 3.48Å
132	S	49.5	Very low	54.3	Low	101 Å²	101	98.9 Å²	98.9	71%	0.706	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-57.8	-19.6	-172.6	54.5	0	0	0	0	113.4	L130 A134	L130-S132 PolarHBondContact O-N 2.88Å; L130-S132 VanDerWaalsContact O-N 3.15Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 3.12Å
133	C	40.2	Very low	54.6	Low	120 Å²	120	92.7 Å²	92.7	81%	0.811	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-71	-18	173.3	-83.7	0	0	0	0	115.3	D131 L135	D131-C133 PolarHBondContact O-N 2.8Å; C133-L135 VanDerWaalsContact C-N 3.32Å
134	A	45.8	Very low	55.1	Low	76 Å²	76	89.1 Å²	89.1	63%	0.628	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-79.3	-16.9	179.4	0	0	0	0	0	113	L130 D131 S132	L130-A134 HydrophobicContact CD2-CB 4.48Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 3.48Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 3.12Å
135	L	48.9	Very low	56.2	Low	38 Å²	38	84.8 Å²	84.8	20%	0.199	50%	0.504	C	S	.	.	S	Bend	trans	-100.7	135.8	179.4	-68.8	160.3	0	0	0	109.3	L130 C133 L193 M197	L130-L135 HydrophobicContact CD1-CD1 4.48Å; C133-L135 VanDerWaalsContact C-N 3.32Å; L135-L193 HydrophobicContact CD2-CD1 4.46Å; L135-M197 HydrophobicContact CD1-CE 3.87Å; L135-M197 HydrophobicContact CD1-CG 4.16Å; L135-M197 HydrophobicContact CD1-SD 4.28Å; L135-M197 HydrophobicContact CD2-CG 3.62Å
136	S	45.1	Very low	57.5	Low	63 Å²	63	82.9 Å²	82.9	44%	0.441	47%	0.474	S	S	.	.			trans	-51.9	129.1	-176.5	-177.1	0	0	0	0	110.6	T138 I139	S136-T138 PolarHBondContact O-N 3.32Å; S136-T138 PolarHBondContact OG-OG1 2.91Å; S136-I139 PolarHBondContact O-N 3.47Å
137	P	43.3	Very low	58.7	Low	129 Å²	129	82.2 Å²	82.2	84%	0.838	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	2.8	-177.1	25.8	-34	0	0	0	114.2
138	T	40.7	Very low	60.1	Low	112 Å²	112	75 Å²	75	69%	0.687	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.3	-179.2	52.7	0	0	0	0	114.1	S136	S136-T138 PolarHBondContact O-N 3.32Å; S136-T138 PolarHBondContact OG-OG1 2.91Å
139	I	47.2	Very low	61.3	Low	82 Å²	82	70.3 Å²	70.3	42%	0.421	41%	0.413	S	S	.	.			trans	-107.4	102	-174.8	-50.8	-177.6	0	0	0	108.1	S136 D141 L193	S136-I139 PolarHBondContact O-N 3.47Å; I139-D141 WeakPolarHBondContact CG2-O 3.38Å; I139-D141 PolarHBondContact O-N 3.02Å; I139-L193 HydrophobicContact CD1-CD1 3.79Å; I139-L193 HydrophobicContact CG2-CD1 4.16Å; I139-L193 HydrophobicContact CG2-CD2 3.57Å; I139-L193 HydrophobicContact CG2-CG 4.43Å
140	N	50	Low	62.6	Low	94 Å²	94	62.5 Å²	62.5	50%	0.503	38%	0.378	S	S	.	.			trans	-71.7	-14.7	-177.6	-79.3	3.5	0	0	0	113.9	N166 S169	N140-N166 PolarHBondContact O-ND2 3.12Å; N140-S169 PolarHBondContact ND2-OG 2.93Å; N140-S169 VanDerWaalsContact ND2-OG 3.08Å
141	D	57.3	Low	63.6	Low	11 Å²	11	62.5 Å²	62.5	6%	0.059	38%	0.38	C	S	.	.			trans	-105.9	137	-179.5	-60.2	-12.3	0	0	0	108.8	I139 S171 A172 I173 L193	I139-D141 WeakPolarHBondContact CG2-O 3.38Å; I139-D141 PolarHBondContact O-N 3.02Å; D141-S171 WeakPolarHBondContact OD1-CA 3.16Å; D141-S171 WeakPolarHBondContact OD1-CB 3.41Å; D141-A172 PolarHBondContact OD1-N 3.09Å; D141-A172 VanDerWaalsContact OD1-N 3.17Å; D141-A172 WeakPolarHBondContact OD2-CA 3.32Å; D141-A172 WeakPolarHBondContact OD2-CB 3.36Å; D141-A172 PolarHBondContact OD2-N 2.76Å; D141-I173 HydrophobicContact CB-CD1 4.09Å; D141-I173 WeakPolarHBondContact OD2-CG1 3.42Å; D141-I173 PolarHBondContact OD2-N 3.43Å; D141-L193 WeakPolarHBondContact O-CD2 3.46Å
142	H	73	Confident	64.8	Low	74 Å²	74	62.1 Å²	62.1	34%	0.343	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.7	175.3	52.9	-75	0	0	0	109.9	Q164 N166 M197	H142-Q164 WeakPolarHBondContact NE2-CB 3.47Å; H142-Q164 WeakPolarHBondContact O-CB 3.38Å; H142-Q164 PolarHBondContact O-N 2.94Å; H142-N166 PolarHBondContact CE1-ND2 3.28Å; H142-N166 PolarHBondContact CE1-OD1 2.9Å; H142-N166 PolarHBondContact ND1-ND2 3.21Å; H142-M197 HydrophobicContact CB-CE 4.48Å
143	F	79.9	Confident	66.1	Low	10 Å²	10	59.4 Å²	59.4	4%	0.044	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.8	174.1	-75.7	-96.2	0	0	0	110.5	F145 A161 I162 V163 S190 L193 A194 M197	F143-F145 HydrophobicContact CB-CE2 4.05Å; F143-A161 HydrophobicContact CD1-CB 3.75Å; F143-A161 HydrophobicContact CE1-CB 4.32Å; F143-A161 HydrophobicContact CG-CB 4.41Å; F143-I162 CarbonylContact C-O 3.6Å; F143-I162 WeakPolarHBondContact CA-O 3.28Å; F143-V163 HydrophobicContact CD1-CG2 4.04Å; F143-V163 HydrophobicContact CE1-CB 4.42Å; F143-V163 HydrophobicContact CE1-CG2 3.36Å; F143-V163 HydrophobicContact CE2-CG2 4.42Å; F143-V163 HydrophobicContact CZ-CG2 3.59Å; F143-S190 WeakPolarHBondContact CE2-O 3.5Å; F143-L193 HydrophobicContact CD2-CB 4.44Å; F143-L193 HydrophobicContact CD2-CD2 3.88Å; F143-L193 HydrophobicContact CD2-CG 4.04Å; F143-L193 HydrophobicContact CE2-CB 4.19Å; F143-L193 HydrophobicContact CE2-CD2 4Å; F143-L193 HydrophobicContact CE2-CG 4.24Å; F143-A194 HydrophobicContact CD1-CB 4.17Å; F143-A194 HydrophobicContact CD2-CB 3.99Å; F143-A194 HydrophobicContact CE1-CB 4.06Å; F143-A194 HydrophobicContact CE2-CB 3.9Å; F143-A194 HydrophobicContact CG-CB 4.13Å; F143-A194 HydrophobicContact CZ-CB 3.93Å; F143-M197 HydrophobicContact CB-CE 4.31Å; F143-M197 HydrophobicContact CB-SD 3.87Å; F143-M197 HydrophobicContact CD2-SD 4.31Å; F143-M197 PolarHBondContact N-SD 3.45Å; F143-M197 VanDerWaalsContact N-SD 3.4Å; F143-M197 WeakPolarHBondContact O-CE 3.47Å
144	A	79.6	Confident	67.9	Low	20 Å²	20	64.5 Å²	64.5	17%	0.165	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.6	161	0	0	0	0	0	109.6	A161 I162 Q164	A144-A161 CarbonylContact O-C 3.57Å; A144-A161 WeakPolarHBondContact O-CA 3.21Å; A144-I162 PolarHBondContact N-O 3.23Å; A144-I162 PolarHBondContact O-N 3.13Å; A144-Q164 HydrophobicContact CB-CG 3.79Å
145	F	85.7	Confident	69.6	Low	32 Å²	32	68.7 Å²	68.7	14%	0.14	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.2	-178.7	-75.2	-95.2	0	0	0	110	F143 F159 E160 A161 A194 M197 A198 L201 L203 I208	F143-F145 HydrophobicContact CB-CE2 4.05Å; F145-F159 HydrophobicContact CB-CB 4.22Å; F145-F159 HydrophobicContact CB-CD1 4.17Å; F145-F159 HydrophobicContact CB-CG 4.5Å; F145-F159 HydrophobicContact CD1-CB 4.01Å; F145-E160 CarbonylContact C-O 3.53Å; F145-E160 VanDerWaalsContact CA-O 3.3Å; F145-E160 WeakPolarHBondContact CA-O 3.28Å; F145-A161 HydrophobicContact CD1-CB 4.18Å; F145-A161 HydrophobicContact CE1-CB 3.7Å; F145-A161 HydrophobicContact CZ-CB 3.99Å; F145-A194 WeakPolarHBondContact CZ-O 3.26Å; F145-M197 HydrophobicContact CE2-CB 3.66Å; F145-M197 HydrophobicContact CE2-CE 4.41Å; F145-M197 HydrophobicContact CZ-CB 4Å; F145-A198 HydrophobicContact CE1-CB 3.88Å; F145-A198 HydrophobicContact CZ-CB 3.95Å; F145-L201 HydrophobicContact CB-CD1 4.27Å; F145-L201 HydrophobicContact CD2-CD1 3.37Å; F145-L201 HydrophobicContact CE2-CD1 3.79Å; F145-L201 HydrophobicContact CG-CD1 3.83Å; F145-L203 HydrophobicContact CD1-CD1 3.77Å; F145-L203 HydrophobicContact CE1-CD1 4Å; F145-L203 HydrophobicContact CG-CD1 4.43Å; F145-I208 HydrophobicContact CE1-CG2 4.22Å
146	H	83.4	Confident	71.3	Confident	39 Å²	39	69.8 Å²	69.8	18%	0.181	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.1	-175.7	-72.1	-139.6	0	0	0	109.7	F159 E160 I162	H146-F159 CarbonylContact O-C 3.47Å; H146-F159 WeakPolarHBondContact O-CA 3.43Å; H146-E160 PolarHBondContact N-O 3.29Å; H146-E160 PolarHBondContact O-N 2.81Å; H146-I162 HydrophobicContact CB-CD1 4.1Å
147	P	85.9	Confident	73.4	Confident	61 Å²	61	69.2 Å²	69.2	40%	0.396	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.6	-175.9	30.1	-34.5	0	0	0	112	V149 I156 F159	P147-V149 HydrophobicContact CB-CG1 4.13Å; P147-I156 HydrophobicContact CB-CD1 4.37Å; P147-I156 HydrophobicContact CB-CG1 4.36Å; P147-I156 HydrophobicContact CB-CG2 4.02Å; P147-F159 HydrophobicContact CB-CD1 4.18Å; P147-F159 HydrophobicContact CB-CE1 3.97Å
148	I	88	Confident	75.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.4	164.5	-53.7	-179.5	0	0	0	106.8	I157 A158 M349 F350 Q351	I148-I157 PolarHBondContact O-N 3.32Å; I148-A158 HydrophobicContact CB-CB 4.14Å; I148-A158 HydrophobicContact CD1-CB 4.17Å; I148-A158 HydrophobicContact CG1-CB 4.4Å; I148-A158 PolarHBondContact N-O 3Å; I148-A158 PolarHBondContact O-N 3Å; I148-M349 HydrophobicContact CG2-CB 4.25Å; I148-F350 WeakPolarHBondContact CA-O 3.42Å; I148-Q351 HydrophobicContact CG1-CB 4.28Å; I148-Q351 HydrophobicContact CG1-CG 4.3Å
149	V	84.6	Confident	78.1	Confident	50 Å²	50	59.2 Å²	59.2	30%	0.303	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152	-168	-58.9	0	0	0	0	112.6	P147 P151 R155 I156 M349 F350	P147-V149 HydrophobicContact CB-CG1 4.13Å; V149-P151 HydrophobicContact CG2-CG 4.39Å; V149-R155 WeakPolarHBondContact CA-O 3.46Å; V149-I156 HydrophobicContact CG1-CG1 4.18Å; V149-M349 WeakPolarHBondContact O-CA 3.47Å; V149-F350 HydrophobicContact CG2-CB 4.38Å; V149-F350 PolarHBondContact N-O 2.97Å; V149-F350 PolarHBondContact O-N 3.35Å
150	D	82.1	Confident	80.2	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.7	161.5	168.3	1	0	0	0	107.8	L152 S153 R154 R155 I157	D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 2.81Å; D150-L152 WeakPolarHBondContact OD1-CB 3.33Å; D150-L152 PolarHBondContact OD1-N 3.43Å; D150-S153 WeakPolarHBondContact CB-OG 3.42Å; D150-S153 PolarHBondContact OD1-N 2.98Å; D150-S153 WeakPolarHBondContact OD2-CB 3.44Å; D150-S153 PolarHBondContact OD2-OG 3.2Å; D150-R154 WeakPolarHBondContact O-CA 3.48Å; D150-R154 PolarHBondContact O-N 3.02Å; D150-R155 PolarHBondContact N-O 2.96Å; D150-R155 PolarHBondContact O-N 2.9Å; D150-I157 HydrophobicContact CB-CD1 3.85Å; D150-I157 HydrophobicContact CB-CG1 3.81Å
151	P	75.4	Confident	82.2	Confident	46 Å²	46	51.5 Å²	51.5	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.6	-179.9	-25.9	36.2	0	0	0	113.6	V149 R154 W339 F350	V149-P151 HydrophobicContact CG2-CG 4.39Å; P151-R154 WeakPolarHBondContact O-CG 3.44Å; P151-R154 PolarHBondContact O-N 2.85Å; P151-W339 HydrophobicContact CB-CZ2 4.04Å; P151-F350 VanDerWaalsContact CD-CD2 3.48Å; P151-F350 HydrophobicContact CG-CD2 3.74Å; P151-F350 HydrophobicContact CG-CE2 4.28Å; P151-F350 HydrophobicContact CG-CG 4.47Å
152	L	74.4	Confident	83.4	Confident	119 Å²	119	53.4 Å²	53.4	62%	0.623	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-44.8	-177.8	-70.7	171	0	0	0	111	D150 R154 E343	D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 2.81Å; D150-L152 WeakPolarHBondContact OD1-CB 3.33Å; D150-L152 PolarHBondContact OD1-N 3.43Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-E343 HydrophobicContact CD1-CG 4.44Å; L152-E343 WeakPolarHBondContact CD2-OE1 3.47Å; L152-E343 WeakPolarHBondContact CG-OE1 3.45Å
153	S	77.8	Confident	83.5	Confident	44 Å²	44	51.8 Å²	51.8	31%	0.308	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.8	176	73.4	0	0	0	0	113.8	D150 R155	D150-S153 WeakPolarHBondContact CB-OG 3.42Å; D150-S153 PolarHBondContact OD1-N 2.98Å; D150-S153 WeakPolarHBondContact OD2-CB 3.44Å; D150-S153 PolarHBondContact OD2-OG 3.2Å; S153-R155 VanDerWaalsContact C-N 3.32Å; S153-R155 WeakPolarHBondContact OG-CB 3.48Å
154	R	77.6	Confident	82.9	Confident	227 Å²	227	54.1 Å²	54.1	86%	0.857	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	46.9	-173	-60.7	-179.3	-69.8	172	-2.7	111.5	D150 P151 L152	D150-R154 WeakPolarHBondContact O-CA 3.48Å; D150-R154 PolarHBondContact O-N 3.02Å; P151-R154 WeakPolarHBondContact O-CG 3.44Å; P151-R154 PolarHBondContact O-N 2.85Å; L152-R154 VanDerWaalsContact C-N 3.31Å
155	R	81.3	Confident	81.6	Confident	164 Å²	164	60.7 Å²	60.7	62%	0.619	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.1	-178.3	-65.9	176.8	-178.4	-172.8	-0.6	110.8	V149 D150 S153 I157	V149-R155 WeakPolarHBondContact CA-O 3.46Å; D150-R155 PolarHBondContact N-O 2.96Å; D150-R155 PolarHBondContact O-N 2.9Å; S153-R155 VanDerWaalsContact C-N 3.32Å; S153-R155 WeakPolarHBondContact OG-CB 3.48Å; R155-I157 HydrophobicContact CB-CD1 4.33Å
156	I	86.2	Confident	79.9	Confident	61 Å²	61	62.5 Å²	62.5	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.5	158.2	-56.2	172.5	0	0	0	107.1	P147 V149 A158 F159 K206	P147-I156 HydrophobicContact CB-CD1 4.37Å; P147-I156 HydrophobicContact CB-CG1 4.36Å; P147-I156 HydrophobicContact CB-CG2 4.02Å; V149-I156 HydrophobicContact CG1-CG1 4.18Å; I156-A158 WeakPolarHBondContact CG2-O 3.45Å; I156-F159 HydrophobicContact CD1-CE1 4.3Å; I156-F159 HydrophobicContact CD1-CZ 3.79Å; I156-F159 HydrophobicContact CG2-CD2 4.21Å; I156-F159 HydrophobicContact CG2-CE1 4.17Å; I156-F159 HydrophobicContact CG2-CE2 3.74Å; I156-F159 HydrophobicContact CG2-CZ 3.74Å; I156-K206 WeakPolarHBondContact O-CD 3.42Å; I156-K206 VanDerWaalsContact O-CE 3.26Å; I156-K206 WeakPolarHBondContact O-CE 3.33Å; I156-K206 PolarHBondContact O-NZ 2.78Å
157	I	87.8	Confident	78	Confident	50 Å²	50	70.1 Å²	70.1	26%	0.256	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-45.3	179.8	-58.3	-59.4	0	0	0	110	I148 D150 R155 M207 M349	I148-I157 PolarHBondContact O-N 3.32Å; D150-I157 HydrophobicContact CB-CD1 3.85Å; D150-I157 HydrophobicContact CB-CG1 3.81Å; R155-I157 HydrophobicContact CB-CD1 4.33Å; I157-M207 PolarHBondContact O-N 3.32Å; I157-M349 HydrophobicContact CG2-SD 4.23Å
158	A	92.3	Very high	75.9	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	167.5	-177.2	0	0	0	0	0	111.2	I148 I156 M207	I148-A158 HydrophobicContact CB-CB 4.14Å; I148-A158 HydrophobicContact CD1-CB 4.17Å; I148-A158 HydrophobicContact CG1-CB 4.4Å; I148-A158 PolarHBondContact N-O 3Å; I148-A158 PolarHBondContact O-N 3Å; I156-A158 WeakPolarHBondContact CG2-O 3.45Å; A158-M207 CarbonylContact C-O 3.38Å; A158-M207 WeakPolarHBondContact CA-O 3.45Å; A158-M207 HydrophobicContact CB-CB 3.69Å
159	F	91.8	Very high	73.6	Confident	32 Å²	32	76.6 Å²	76.6	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.2	164.7	-69.4	-86.9	0	0	0	109.8	F145 H146 P147 I156 L203 K206 M207 I208 S209	F145-F159 HydrophobicContact CB-CB 4.22Å; F145-F159 HydrophobicContact CB-CD1 4.17Å; F145-F159 HydrophobicContact CB-CG 4.5Å; F145-F159 HydrophobicContact CD1-CB 4.01Å; H146-F159 CarbonylContact O-C 3.47Å; H146-F159 WeakPolarHBondContact O-CA 3.43Å; P147-F159 HydrophobicContact CB-CD1 4.18Å; P147-F159 HydrophobicContact CB-CE1 3.97Å; I156-F159 HydrophobicContact CD1-CE1 4.3Å; I156-F159 HydrophobicContact CD1-CZ 3.79Å; I156-F159 HydrophobicContact CG2-CD2 4.21Å; I156-F159 HydrophobicContact CG2-CE1 4.17Å; I156-F159 HydrophobicContact CG2-CE2 3.74Å; I156-F159 HydrophobicContact CG2-CZ 3.74Å; F159-L203 HydrophobicContact CB-CD1 4.24Å; F159-L203 HydrophobicContact CD2-CD1 4.05Å; F159-L203 HydrophobicContact CD2-CD2 3.92Å; F159-L203 HydrophobicContact CD2-CG 4.4Å; F159-L203 HydrophobicContact CE2-CD2 3.81Å; F159-L203 HydrophobicContact CG-CD1 4.28Å; F159-L203 HydrophobicContact CG-CD2 4.42Å; F159-L203 HydrophobicContact CZ-CD2 4.22Å; F159-K206 HydrophobicContact CD2-CB 4.14Å; F159-K206 HydrophobicContact CD2-CG 4.5Å; F159-K206 HydrophobicContact CE2-CB 4.26Å; F159-K206 HydrophobicContact CE2-CG 4.12Å; F159-M207 PolarHBondContact N-O 3.49Å; F159-I208 CarbonylContact O-C 3.49Å; F159-I208 WeakPolarHBondContact O-CA 3.5Å; F159-S209 PolarHBondContact O-N 2.89Å
160	E	91.3	Very high	71.2	Confident	11 Å²	11	79.2 Å²	79.2	5%	0.051	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	170.8	-174.3	-178	167.1	0	0	110.4	F145 H146 I162 N211 K295 Q351	F145-E160 CarbonylContact C-O 3.53Å; F145-E160 VanDerWaalsContact CA-O 3.3Å; F145-E160 WeakPolarHBondContact CA-O 3.28Å; H146-E160 PolarHBondContact N-O 3.29Å; H146-E160 PolarHBondContact O-N 2.81Å; E160-I162 HydrophobicContact CG-CG1 3.99Å; E160-N211 PolarHBondContact OE1-ND2 2.84Å; E160-K295 VanDerWaalsContact CD-NZ 3.32Å; E160-K295 IonicContact OE1-NZ 3.84Å; E160-K295 IonicContact OE2-NZ 3.46Å; E160-K295 PolarHBondContact OE2-NZ 3.17Å; E160-Q351 PolarHBondContact OE2-NE2 2.84Å; E160-Q351 PolarHBondContact OE2-OE1 2.83Å
161	A	90.4	Very high	69.4	Low	2 Å²	2	78.3 Å²	78.3	2%	0.017	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.6	174	0	0	0	0	0	110.4	F143 A144 F145 A194 S209 I210	F143-A161 HydrophobicContact CD1-CB 3.75Å; F143-A161 HydrophobicContact CE1-CB 4.32Å; F143-A161 HydrophobicContact CG-CB 4.41Å; A144-A161 CarbonylContact O-C 3.57Å; A144-A161 WeakPolarHBondContact O-CA 3.21Å; F145-A161 HydrophobicContact CD1-CB 4.18Å; F145-A161 HydrophobicContact CE1-CB 3.7Å; F145-A161 HydrophobicContact CZ-CB 3.99Å; A161-A194 HydrophobicContact CB-CB 4.1Å; A161-S209 WeakPolarHBondContact CB-O 3.43Å; A161-S209 PolarHBondContact N-O 2.83Å; A161-I210 HydrophobicContact CB-CG2 4.18Å
162	I	82.6	Confident	67.8	Low	52 Å²	52	78.1 Å²	78.1	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.7	-178	-56.2	-179.4	0	0	0	109.7	F143 A144 H146 E160 Q164	F143-I162 CarbonylContact C-O 3.6Å; F143-I162 WeakPolarHBondContact CA-O 3.28Å; A144-I162 PolarHBondContact N-O 3.23Å; A144-I162 PolarHBondContact O-N 3.13Å; H146-I162 HydrophobicContact CB-CD1 4.1Å; E160-I162 HydrophobicContact CG-CG1 3.99Å; I162-Q164 PolarHBondContact O-N 2.91Å
163	V	75.7	Confident	66.5	Low	40 Å²	40	74 Å²	74	24%	0.242	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.4	177.2	179.5	0	0	0	0	109.7	F143 I173	F143-V163 HydrophobicContact CD1-CG2 4.04Å; F143-V163 HydrophobicContact CE1-CB 4.42Å; F143-V163 HydrophobicContact CE1-CG2 3.36Å; F143-V163 HydrophobicContact CE2-CG2 4.42Å; F143-V163 HydrophobicContact CZ-CG2 3.59Å; V163-I173 HydrophobicContact CG1-CB 4.32Å; V163-I173 HydrophobicContact CG1-CD1 3.88Å; V163-I173 HydrophobicContact CG2-CD1 3.94Å; V163-I173 HydrophobicContact CG2-CG2 4.21Å
164	Q	66.3	Low	65	Low	58 Å²	58	73.7 Å²	73.7	27%	0.271	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.9	172.9	-70.2	-69	-2.5	0	0	110.7	H142 A144 I162	H142-Q164 WeakPolarHBondContact NE2-CB 3.47Å; H142-Q164 WeakPolarHBondContact O-CB 3.38Å; H142-Q164 PolarHBondContact O-N 2.94Å; A144-Q164 HydrophobicContact CB-CG 3.79Å; I162-Q164 PolarHBondContact O-N 2.91Å
165	K	53	Low	63.5	Low	159 Å²	159	66.9 Å²	66.9	69%	0.691	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-87.9	117.4	175.3	-71.2	178.2	-177.6	169.9	0	109.2
166	N	51	Low	61.8	Low	69 Å²	69	62.8 Å²	62.8	37%	0.369	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-78.7	125.1	166.8	-89.8	-35.1	0	0	0	109.8	N140 H142 D168 S169	N140-N166 PolarHBondContact O-ND2 3.12Å; H142-N166 PolarHBondContact CE1-ND2 3.28Å; H142-N166 PolarHBondContact CE1-OD1 2.9Å; H142-N166 PolarHBondContact ND1-ND2 3.21Å; N166-D168 PolarHBondContact O-N 3.46Å; N166-S169 CarbonylContact O-C 3.49Å; N166-S169 PolarHBondContact O-N 2.81Å; N166-S169 VanDerWaalsContact O-N 3.17Å
167	E	43	Very low	59.8	Low	200 Å²	200	68 Å²	68	94%	0.935	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.3	176.4	-68	-165.9	152.8	0	0	112.5
168	D	41	Very low	58.1	Low	164 Å²	164	70 Å²	70	88%	0.877	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.8	-179.4	-70.3	-36.9	0	0	0	114.5	N166	N166-D168 PolarHBondContact O-N 3.46Å
169	S	39.5	Very low	56.5	Low	33 Å²	33	77.9 Å²	77.9	23%	0.231	42%	0.42	C	S	.	.	S	Bend	trans	-149.9	116.9	170.8	-97.6	0	0	0	0	109.9	N140 N166 S171	N140-S169 PolarHBondContact ND2-OG 2.93Å; N140-S169 VanDerWaalsContact ND2-OG 3.08Å; N166-S169 CarbonylContact O-C 3.49Å; N166-S169 PolarHBondContact O-N 2.81Å; N166-S169 VanDerWaalsContact O-N 3.17Å; S169-S171 PolarHBondContact O-N 2.82Å
170	P	35.5	Very low	55	Low	105 Å²	105	82.9 Å²	82.9	68%	0.682	45%	0.449	S	S	*	.			trans	-55.4	115.2	173.6	23.1	-29.8	0	0	0	107	A172	P170-A172 PolarHBondContact O-N 2.79Å
171	S	42.7	Very low	53.8	Low	8 Å²	8	84.7 Å²	84.7	6%	0.056	47%	0.47	C	S	.	.			trans	-51.2	133.8	-170.7	62.5	0	0	0	0	108.5	D141 S169 I173 A174	D141-S171 WeakPolarHBondContact OD1-CA 3.16Å; D141-S171 WeakPolarHBondContact OD1-CB 3.41Å; S169-S171 PolarHBondContact O-N 2.82Å; S171-I173 PolarHBondContact O-N 3.07Å; S171-A174 VanDerWaalsContact O-CB 3.31Å; S171-A174 WeakPolarHBondContact O-CB 3.43Å; S171-A174 PolarHBondContact O-N 3.31Å; S171-A174 WeakPolarHBondContact OG-CB 3.34Å; S171-A174 PolarHBondContact OG-N 3.12Å; S171-A174 VanDerWaalsContact OG-N 3.08Å
172	A	42.9	Very low	53.4	Low	43 Å²	43	89.7 Å²	89.7	36%	0.355	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.8	178.6	0	0	0	0	0	111.6	D141 P170 R178	D141-A172 PolarHBondContact OD1-N 3.09Å; D141-A172 VanDerWaalsContact OD1-N 3.17Å; D141-A172 WeakPolarHBondContact OD2-CA 3.32Å; D141-A172 WeakPolarHBondContact OD2-CB 3.36Å; D141-A172 PolarHBondContact OD2-N 2.76Å; P170-A172 PolarHBondContact O-N 2.79Å; A172-R178 PolarHBondContact O-NE 3.15Å; A172-R178 PolarHBondContact O-NH2 2.79Å
173	I	47.8	Very low	53.4	Low	33 Å²	33	88.3 Å²	88.3	17%	0.169	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-8	177	-53.9	157.9	0	0	0	113	D141 V163 S171 V175	D141-I173 HydrophobicContact CB-CD1 4.09Å; D141-I173 WeakPolarHBondContact OD2-CG1 3.42Å; D141-I173 PolarHBondContact OD2-N 3.43Å; V163-I173 HydrophobicContact CG1-CB 4.32Å; V163-I173 HydrophobicContact CG1-CD1 3.88Å; V163-I173 HydrophobicContact CG2-CD1 3.94Å; V163-I173 HydrophobicContact CG2-CG2 4.21Å; S171-I173 PolarHBondContact O-N 3.07Å; I173-V175 PolarHBondContact O-N 2.91Å
174	A	45.1	Very low	54	Low	37 Å²	37	89 Å²	89	31%	0.306	49%	0.485	S	S	.	.			trans	-69.4	103.1	177.1	0	0	0	0	0	109.7	S171 G176	S171-A174 VanDerWaalsContact O-CB 3.31Å; S171-A174 WeakPolarHBondContact O-CB 3.43Å; S171-A174 PolarHBondContact O-N 3.31Å; S171-A174 WeakPolarHBondContact OG-CB 3.34Å; S171-A174 PolarHBondContact OG-N 3.12Å; S171-A174 VanDerWaalsContact OG-N 3.08Å; A174-G176 PolarHBondContact O-N 3.32Å
175	V	46.7	Very low	55.1	Low	84 Å²	84	88.4 Å²	88.4	51%	0.509	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-44.1	-21.7	-176	179.9	0	0	0	0	114.9	I173 Q177 I183	I173-V175 PolarHBondContact O-N 2.91Å; V175-Q177 PolarHBondContact O-N 3.31Å; V175-I183 HydrophobicContact CG1-CD1 4.26Å; V175-I183 HydrophobicContact CG1-CG2 4.23Å; V175-I183 HydrophobicContact CG2-CG2 4.48Å; V175-I183 WeakPolarHBondContact O-CD1 3.36Å
176	G	45.5	Very low	56.7	Low	77 Å²	77	81.5 Å²	81.5	79%	0.794	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-78.1	-5.8	-169.9	0	0	0	0	0	118.2	A174	A174-G176 PolarHBondContact O-N 3.32Å
177	Q	43.6	Very low	58.5	Low	170 Å²	170	78.8 Å²	78.8	79%	0.794	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-127.4	5.1	-172.8	-68.9	-148.9	-7.3	0	0	117.3	V175	V175-Q177 PolarHBondContact O-N 3.31Å
178	R	53.3	Low	60.9	Low	93 Å²	93	69.7 Å²	69.7	35%	0.351	40%	0.401	S	S	.	.	S	Bend	trans	-108.8	151.5	-177.3	-67.8	-174.4	-176.4	-157.1	-2.2	112.2	A172 E182 I183	A172-R178 PolarHBondContact O-NE 3.15Å; A172-R178 PolarHBondContact O-NH2 2.79Å; R178-E182 HydrophobicContact CB-CB 4.19Å; R178-I183 HydrophobicContact CB-CG1 3.7Å
179	K	57.9	Low	63.2	Low	166 Å²	166	68.3 Å²	68.3	72%	0.722	39%	0.387	S	S	*	.			trans	-60.3	146.4	172.3	-70.9	179.7	178.7	175.7	0	109.5	G181 E182	K179-G181 PolarHBondContact O-N 2.89Å; K179-E182 PolarHBondContact O-N 2.72Å
180	D	61	Low	65.6	Low	137 Å²	137	67.2 Å²	67.2	73%	0.733	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-22.7	-169.5	-71.7	-19.3	0	0	0	116.7	Y184	D180-Y184 WeakPolarHBondContact O-CD2 3.44Å; D180-Y184 WeakPolarHBondContact O-CE2 3.27Å
181	G	66	Low	68.3	Low	48 Å²	48	62.5 Å²	62.5	50%	0.495	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-29.1	175.1	0	0	0	0	0	115.2	K179 I183	K179-G181 PolarHBondContact O-N 2.89Å; G181-I183 VanDerWaalsContact C-N 3.31Å; G181-I183 PolarHBondContact O-N 3.2Å
182	E	80.3	Confident	70.7	Confident	107 Å²	107	63.1 Å²	63.1	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-78	-18.6	-173.9	-70.9	177.9	-168.2	0	0	112.9	R178 K179 A186	R178-E182 HydrophobicContact CB-CB 4.19Å; K179-E182 PolarHBondContact O-N 2.72Å; E182-A186 WeakPolarHBondContact O-CB 3.18Å; E182-A186 PolarHBondContact O-N 2.74Å; E182-A186 VanDerWaalsContact O-N 3.1Å
183	I	83.8	Confident	72.9	Confident	23 Å²	23	62 Å²	62	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-47.9	178.5	-65.3	170.6	0	0	0	110.1	V175 R178 G181 A186 D187 L213	V175-I183 HydrophobicContact CG1-CD1 4.26Å; V175-I183 HydrophobicContact CG1-CG2 4.23Å; V175-I183 HydrophobicContact CG2-CG2 4.48Å; V175-I183 WeakPolarHBondContact O-CD1 3.36Å; R178-I183 HydrophobicContact CB-CG1 3.7Å; G181-I183 VanDerWaalsContact C-N 3.31Å; G181-I183 PolarHBondContact O-N 3.2Å; I183-A186 WeakPolarHBondContact O-CB 3.48Å; I183-A186 PolarHBondContact O-N 2.82Å; I183-D187 WeakPolarHBondContact O-CB 3.35Å; I183-D187 PolarHBondContact O-N 2.69Å; I183-L213 HydrophobicContact CG2-CD1 3.75Å
184	Y	88.8	Confident	74.9	Confident	56 Å²	56	60.4 Å²	60.4	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-45	-176.5	-56.1	-54.2	0	0	0	112.3	D180 A186 D187 L188 L213 M215 T216 N219	D180-Y184 WeakPolarHBondContact O-CD2 3.44Å; D180-Y184 WeakPolarHBondContact O-CE2 3.27Å; Y184-A186 VanDerWaalsContact C-N 3.26Å; Y184-A186 PolarHBondContact O-N 3.12Å; Y184-D187 PolarHBondContact O-N 2.71Å; Y184-L188 WeakPolarHBondContact O-CB 3.38Å; Y184-L188 PolarHBondContact O-N 2.99Å; Y184-L213 HydrophobicContact CD1-CD1 4.42Å; Y184-L213 HydrophobicContact CE1-CD1 4.49Å; Y184-M215 HydrophobicContact CD1-CB 4.16Å; Y184-M215 HydrophobicContact CE1-CB 3.42Å; Y184-M215 VanDerWaalsContact CE1-CB 3.42Å; Y184-T216 WeakPolarHBondContact O-CG2 3.03Å; Y184-N219 HydrophobicContact CD2-CB 3.66Å; Y184-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y184-N219 WeakPolarHBondContact CD2-ND2 3.09Å; Y184-N219 HydrophobicContact CE2-CB 4.24Å; Y184-N219 WeakPolarHBondContact CE2-ND2 3.4Å; Y184-N219 HydrophobicContact CG-CB 3.97Å
185	T	89	Confident	77.3	Confident	45 Å²	45	58.7 Å²	58.7	28%	0.276	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-38.1	175.2	-47.6	0	0	0	0	111.3	K189 E220	T185-K189 HydrophobicContact CG2-CD 4.03Å; T185-K189 HydrophobicContact CG2-CG 4.49Å; T185-K189 VanDerWaalsContact O-CB 3.31Å; T185-K189 WeakPolarHBondContact O-CB 3.47Å; T185-K189 VanDerWaalsContact O-CG 3.25Å; T185-K189 WeakPolarHBondContact O-CG 3.1Å; T185-K189 PolarHBondContact O-N 2.6Å; T185-E220 WeakPolarHBondContact CA-OE1 3.41Å; T185-E220 WeakPolarHBondContact CB-OE1 3.38Å; T185-E220 PolarHBondContact N-OE1 2.97Å; T185-E220 PolarHBondContact OG1-OE1 3.31Å
186	A	86.3	Confident	79.4	Confident	13 Å²	13	57.6 Å²	57.6	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-45.1	178.9	0	0	0	0	0	112.4	E182 I183 Y184 K189 S190	E182-A186 WeakPolarHBondContact O-CB 3.18Å; E182-A186 PolarHBondContact O-N 2.74Å; E182-A186 VanDerWaalsContact O-N 3.1Å; I183-A186 WeakPolarHBondContact O-CB 3.48Å; I183-A186 PolarHBondContact O-N 2.82Å; Y184-A186 VanDerWaalsContact C-N 3.26Å; Y184-A186 PolarHBondContact O-N 3.12Å; A186-K189 PolarHBondContact O-N 3.37Å; A186-S190 WeakPolarHBondContact O-CB 3.32Å; A186-S190 PolarHBondContact O-N 3.35Å
187	D	89.4	Confident	81.5	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-49.8	175	177.4	37.9	0	0	0	110.4	I183 Y184 S190 K191 L212 L213 T216	I183-D187 WeakPolarHBondContact O-CB 3.35Å; I183-D187 PolarHBondContact O-N 2.69Å; Y184-D187 PolarHBondContact O-N 2.71Å; D187-S190 WeakPolarHBondContact O-CB 3.47Å; D187-S190 PolarHBondContact O-N 2.8Å; D187-S190 PolarHBondContact O-OG 3.42Å; D187-K191 WeakPolarHBondContact O-CE 3.28Å; D187-K191 PolarHBondContact O-NZ 3.21Å; D187-K191 WeakPolarHBondContact OD1-CE 3.26Å; D187-K191 IonicContact OD1-NZ 2.71Å; D187-K191 PolarHBondContact OD1-NZ 3.1Å; D187-L212 WeakPolarHBondContact OD2-CD2 3.43Å; D187-L213 HydrophobicContact CB-CD1 4.28Å; D187-L213 PolarHBondContact OD2-N 3.18Å; D187-T216 WeakPolarHBondContact OD2-CB 3.15Å; D187-T216 PolarHBondContact OD2-OG1 3.37Å
188	L	92.2	Very high	83.8	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-50	176.7	-175.1	61.4	0	0	0	112.4	Y184 S190 K191 T216 E220 A223 F226 L227	Y184-L188 WeakPolarHBondContact O-CB 3.38Å; Y184-L188 PolarHBondContact O-N 2.99Å; L188-S190 PolarHBondContact O-N 2.95Å; L188-K191 WeakPolarHBondContact O-CG 3.37Å; L188-K191 PolarHBondContact O-N 3.33Å; L188-K191 VanDerWaalsContact O-N 3.11Å; L188-T216 HydrophobicContact CB-CG2 3.71Å; L188-T216 HydrophobicContact CD1-CG2 4.45Å; L188-E220 HydrophobicContact CD2-CB 3.92Å; L188-E220 HydrophobicContact CD2-CG 4.1Å; L188-A223 HydrophobicContact CD1-CB 4.09Å; L188-A223 HydrophobicContact CD2-CB 4.02Å; L188-F226 HydrophobicContact CD1-CD1 3.61Å; L188-F226 HydrophobicContact CD1-CE1 4.19Å; L188-F226 HydrophobicContact CD1-CG 4.41Å; L188-F226 HydrophobicContact CD2-CB 4.18Å; L188-F226 HydrophobicContact CD2-CD1 4.02Å; L188-F226 HydrophobicContact CD2-CG 4.09Å; L188-F226 HydrophobicContact CG-CD1 3.53Å; L188-F226 HydrophobicContact CG-CE1 3.9Å; L188-F226 HydrophobicContact CG-CG 4.11Å; L188-F226 WeakPolarHBondContact O-CE1 3.29Å; L188-L227 HydrophobicContact CD1-CD2 4.14Å; L188-L227 HydrophobicContact CD1-CG 4.17Å
189	K	90.7	Very high	85.5	Confident	134 Å²	134	46.6 Å²	46.6	58%	0.583	24%	0.244	S	C	*	.	H	α-helix	trans	-64.8	-26.3	-178	-75.7	-179.4	-179.2	177.4	0	113.2	T185 A186 K191 A192 F226	T185-K189 HydrophobicContact CG2-CD 4.03Å; T185-K189 HydrophobicContact CG2-CG 4.49Å; T185-K189 VanDerWaalsContact O-CB 3.31Å; T185-K189 WeakPolarHBondContact O-CB 3.47Å; T185-K189 VanDerWaalsContact O-CG 3.25Å; T185-K189 WeakPolarHBondContact O-CG 3.1Å; T185-K189 PolarHBondContact O-N 2.6Å; A186-K189 PolarHBondContact O-N 3.37Å; K189-K191 PolarHBondContact O-N 2.84Å; K189-A192 WeakPolarHBondContact O-CB 3.14Å; K189-A192 PolarHBondContact O-N 3.3Å; K189-F226 HydrophobicContact CG-CZ 4.4Å
190	S	88.7	Confident	87	Confident	10 Å²	10	41 Å²	41	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-26.6	175.2	75.4	0	0	0	0	113	F143 A186 D187 L188 A192 L193 A194	F143-S190 WeakPolarHBondContact CE2-O 3.5Å; A186-S190 WeakPolarHBondContact O-CB 3.32Å; A186-S190 PolarHBondContact O-N 3.35Å; D187-S190 WeakPolarHBondContact O-CB 3.47Å; D187-S190 PolarHBondContact O-N 2.8Å; D187-S190 PolarHBondContact O-OG 3.42Å; L188-S190 PolarHBondContact O-N 2.95Å; S190-A192 VanDerWaalsContact C-N 3.29Å; S190-A192 PolarHBondContact O-N 3.23Å; S190-L193 WeakPolarHBondContact O-CB 3.2Å; S190-L193 PolarHBondContact O-N 2.81Å; S190-L193 VanDerWaalsContact O-N 3.14Å; S190-A194 PolarHBondContact O-N 3.3Å
191	K	93.1	Very high	88.1	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-71.6	-24.6	-176.4	-47.1	-47.5	169.6	-152.4	0	113	D187 L188 K189 L193 A194 F195 I210 N211 L212 L227	D187-K191 WeakPolarHBondContact O-CE 3.28Å; D187-K191 PolarHBondContact O-NZ 3.21Å; D187-K191 WeakPolarHBondContact OD1-CE 3.26Å; D187-K191 IonicContact OD1-NZ 2.71Å; D187-K191 PolarHBondContact OD1-NZ 3.1Å; L188-K191 WeakPolarHBondContact O-CG 3.37Å; L188-K191 PolarHBondContact O-N 3.33Å; L188-K191 VanDerWaalsContact O-N 3.11Å; K189-K191 PolarHBondContact O-N 2.84Å; K191-L193 PolarHBondContact O-N 3.34Å; K191-A194 PolarHBondContact O-N 2.82Å; K191-F195 HydrophobicContact CB-CE2 4.13Å; K191-F195 HydrophobicContact CB-CZ 4.44Å; K191-F195 WeakPolarHBondContact O-CD2 3.33Å; K191-F195 WeakPolarHBondContact O-CG 3.28Å; K191-F195 PolarHBondContact O-N 2.89Å; K191-I210 HydrophobicContact CB-CD1 4.09Å; K191-I210 HydrophobicContact CD-CB 4.28Å; K191-I210 HydrophobicContact CD-CD1 4.11Å; K191-I210 HydrophobicContact CG-CD1 3.88Å; K191-N211 WeakPolarHBondContact CE-O 3.45Å; K191-N211 PolarHBondContact NZ-O 3.33Å; K191-L212 HydrophobicContact CD-CD2 4.39Å; K191-L212 HydrophobicContact CG-CD2 4.12Å; K191-L212 HydrophobicContact CG-CG 4.46Å; K191-L227 HydrophobicContact CB-CD2 4.03Å; K191-L227 HydrophobicContact CG-CD2 4.25Å
192	A	92.2	Very high	89.1	Confident	21 Å²	21	41 Å²	41	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-40.1	170.8	0	0	0	0	0	111.4	K189 S190 T196 F226 E230	K189-A192 WeakPolarHBondContact O-CB 3.14Å; K189-A192 PolarHBondContact O-N 3.3Å; S190-A192 VanDerWaalsContact C-N 3.29Å; S190-A192 PolarHBondContact O-N 3.23Å; A192-T196 WeakPolarHBondContact O-CB 2.87Å; A192-T196 PolarHBondContact O-N 3.29Å; A192-T196 PolarHBondContact O-OG1 2.96Å; A192-F226 HydrophobicContact CB-CZ 4.25Å; A192-E230 HydrophobicContact CB-CG 3.98Å; A192-E230 WeakPolarHBondContact CB-OE2 3.5Å
193	L	89.4	Confident	89.3	Confident	20 Å²	20	37 Å²	37	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-46.1	174.8	177.8	66	0	0	0	111.6	L135 I139 D141 F143 S190 K191 F195 T196 M197	L135-L193 HydrophobicContact CD2-CD1 4.46Å; I139-L193 HydrophobicContact CD1-CD1 3.79Å; I139-L193 HydrophobicContact CG2-CD1 4.16Å; I139-L193 HydrophobicContact CG2-CD2 3.57Å; I139-L193 HydrophobicContact CG2-CG 4.43Å; D141-L193 WeakPolarHBondContact O-CD2 3.46Å; F143-L193 HydrophobicContact CD2-CB 4.44Å; F143-L193 HydrophobicContact CD2-CD2 3.88Å; F143-L193 HydrophobicContact CD2-CG 4.04Å; F143-L193 HydrophobicContact CE2-CB 4.19Å; F143-L193 HydrophobicContact CE2-CD2 4Å; F143-L193 HydrophobicContact CE2-CG 4.24Å; S190-L193 WeakPolarHBondContact O-CB 3.2Å; S190-L193 PolarHBondContact O-N 2.81Å; S190-L193 VanDerWaalsContact O-N 3.14Å; K191-L193 PolarHBondContact O-N 3.34Å; L193-F195 VanDerWaalsContact C-N 3.3Å; L193-F195 PolarHBondContact O-N 3.46Å; L193-T196 WeakPolarHBondContact O-CB 3.38Å; L193-T196 PolarHBondContact O-N 2.77Å; L193-M197 HydrophobicContact CD1-CG 4.13Å; L193-M197 HydrophobicContact CD1-SD 4.17Å; L193-M197 HydrophobicContact CD2-SD 4.46Å; L193-M197 HydrophobicContact CG-CG 4.36Å; L193-M197 HydrophobicContact CG-SD 4.02Å; L193-M197 WeakPolarHBondContact O-CG 3.35Å; L193-M197 PolarHBondContact O-N 2.89Å
194	A	90.8	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-45.8	177.4	0	0	0	0	0	111.4	F143 F145 A161 S190 K191 M197 A198 I210	F143-A194 HydrophobicContact CD1-CB 4.17Å; F143-A194 HydrophobicContact CD2-CB 3.99Å; F143-A194 HydrophobicContact CE1-CB 4.06Å; F143-A194 HydrophobicContact CE2-CB 3.9Å; F143-A194 HydrophobicContact CG-CB 4.13Å; F143-A194 HydrophobicContact CZ-CB 3.93Å; F145-A194 WeakPolarHBondContact CZ-O 3.26Å; A161-A194 HydrophobicContact CB-CB 4.1Å; S190-A194 PolarHBondContact O-N 3.3Å; K191-A194 PolarHBondContact O-N 2.82Å; A194-M197 PolarHBondContact O-N 3.43Å; A194-A198 WeakPolarHBondContact O-CB 3.48Å; A194-A198 PolarHBondContact O-N 3.09Å; A194-I210 HydrophobicContact CB-CG2 4.19Å
195	F	94.1	Very high	89.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-37.2	177.7	-59.6	-38.2	0	0	0	113.2	K191 L193 A198 H199 I210 L227 E230 I231 N234 L236 I241	K191-F195 HydrophobicContact CB-CE2 4.13Å; K191-F195 HydrophobicContact CB-CZ 4.44Å; K191-F195 WeakPolarHBondContact O-CD2 3.33Å; K191-F195 WeakPolarHBondContact O-CG 3.28Å; K191-F195 PolarHBondContact O-N 2.89Å; L193-F195 VanDerWaalsContact C-N 3.3Å; L193-F195 PolarHBondContact O-N 3.46Å; F195-A198 PolarHBondContact O-N 3.06Å; F195-H199 PolarHBondContact O-N 3.06Å; F195-I210 HydrophobicContact CE1-CD1 4.16Å; F195-I210 HydrophobicContact CE1-CG2 4.06Å; F195-I210 HydrophobicContact CZ-CD1 3.68Å; F195-L227 HydrophobicContact CE2-CD2 3.96Å; F195-L227 HydrophobicContact CZ-CD2 4.17Å; F195-E230 HydrophobicContact CD2-CB 3.68Å; F195-E230 HydrophobicContact CE2-CB 4.13Å; F195-I231 HydrophobicContact CD2-CG1 4.36Å; F195-I231 HydrophobicContact CE1-CG1 4.39Å; F195-I231 HydrophobicContact CE2-CG1 3.91Å; F195-I231 HydrophobicContact CZ-CD1 4.4Å; F195-I231 HydrophobicContact CZ-CG1 3.92Å; F195-N234 HydrophobicContact CB-CB 4.11Å; F195-L236 HydrophobicContact CB-CD1 4Å; F195-L236 HydrophobicContact CD1-CD1 3.92Å; F195-L236 HydrophobicContact CG-CD1 4.21Å; F195-I241 HydrophobicContact CD1-CD1 4.26Å; F195-I241 HydrophobicContact CE1-CD1 3.8Å; F195-I241 HydrophobicContact CE1-CG1 4.26Å; F195-I241 HydrophobicContact CE1-CG2 4.14Å; F195-I241 HydrophobicContact CZ-CG2 4.21Å
196	T	92	Very high	89.3	Confident	61 Å²	61	42.9 Å²	42.9	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-45.2	173.9	-55.6	0	0	0	0	111.2	A192 L193 H199 A200 N234	A192-T196 WeakPolarHBondContact O-CB 2.87Å; A192-T196 PolarHBondContact O-N 3.29Å; A192-T196 PolarHBondContact O-OG1 2.96Å; L193-T196 WeakPolarHBondContact O-CB 3.38Å; L193-T196 PolarHBondContact O-N 2.77Å; T196-H199 PolarHBondContact O-N 3.38Å; T196-A200 WeakPolarHBondContact O-CB 3.16Å; T196-A200 PolarHBondContact O-N 2.92Å; T196-N234 VanDerWaalsContact CA-OD1 3.26Å; T196-N234 WeakPolarHBondContact CA-OD1 3.35Å; T196-N234 PolarHBondContact OG1-OD1 3.29Å
197	M	89.2	Confident	89.8	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.044	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177.7	-68.9	-178.2	69.4	0	0	111.8	L130 L135 H142 F143 F145 L193 A194 H199 A200 L201	L130-M197 HydrophobicContact CD1-CE 4.34Å; L135-M197 HydrophobicContact CD1-CE 3.87Å; L135-M197 HydrophobicContact CD1-CG 4.16Å; L135-M197 HydrophobicContact CD1-SD 4.28Å; L135-M197 HydrophobicContact CD2-CG 3.62Å; H142-M197 HydrophobicContact CB-CE 4.48Å; F143-M197 HydrophobicContact CB-CE 4.31Å; F143-M197 HydrophobicContact CB-SD 3.87Å; F143-M197 HydrophobicContact CD2-SD 4.31Å; F143-M197 PolarHBondContact N-SD 3.45Å; F143-M197 VanDerWaalsContact N-SD 3.4Å; F143-M197 WeakPolarHBondContact O-CE 3.47Å; F145-M197 HydrophobicContact CE2-CB 3.66Å; F145-M197 HydrophobicContact CE2-CE 4.41Å; F145-M197 HydrophobicContact CZ-CB 4Å; L193-M197 HydrophobicContact CD1-CG 4.13Å; L193-M197 HydrophobicContact CD1-SD 4.17Å; L193-M197 HydrophobicContact CD2-SD 4.46Å; L193-M197 HydrophobicContact CG-CG 4.36Å; L193-M197 HydrophobicContact CG-SD 4.02Å; L193-M197 WeakPolarHBondContact O-CG 3.35Å; L193-M197 PolarHBondContact O-N 2.89Å; A194-M197 PolarHBondContact O-N 3.43Å; M197-H199 VanDerWaalsContact C-N 3.32Å; M197-H199 PolarHBondContact O-N 2.82Å; M197-A200 PolarHBondContact O-N 3.25Å; M197-L201 WeakPolarHBondContact O-CB 3.42Å; M197-L201 WeakPolarHBondContact O-CG 3.41Å; M197-L201 PolarHBondContact O-N 3.49Å
198	A	90.6	Very high	90.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-40.3	176.6	0	0	0	0	0	112.4	F145 A194 F195 L201 E202 L203 I208	F145-A198 HydrophobicContact CE1-CB 3.88Å; F145-A198 HydrophobicContact CZ-CB 3.95Å; A194-A198 WeakPolarHBondContact O-CB 3.48Å; A194-A198 PolarHBondContact O-N 3.09Å; F195-A198 PolarHBondContact O-N 3.06Å; A198-L201 PolarHBondContact O-N 3.4Å; A198-E202 PolarHBondContact O-N 3.23Å; A198-L203 HydrophobicContact CB-CD1 3.9Å; A198-L203 PolarHBondContact O-N 3.08Å; A198-I208 HydrophobicContact CB-CD1 3.64Å; A198-I208 HydrophobicContact CB-CG1 4.36Å
199	H	90.2	Very high	90.3	Very high	100 Å²	100	43.3 Å²	43.3	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-46.8	173.2	-177.8	76.9	0	0	0	111.5	F195 T196 M197 L201 E202 N234	F195-H199 PolarHBondContact O-N 3.06Å; T196-H199 PolarHBondContact O-N 3.38Å; M197-H199 VanDerWaalsContact C-N 3.32Å; M197-H199 PolarHBondContact O-N 2.82Å; H199-L201 VanDerWaalsContact C-N 3.28Å; H199-L201 PolarHBondContact O-N 3.26Å; H199-E202 PolarHBondContact O-N 3.1Å; H199-N234 HydrophobicContact CB-CB 4.2Å; H199-N234 PolarHBondContact ND1-O 3.45Å
200	A	88.3	Confident	90.5	Very high	48 Å²	48	37 Å²	37	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-29.7	179.7	0	0	0	0	0	113.4	L130 T196 M197 E202	L130-A200 HydrophobicContact CD1-CB 4.49Å; L130-A200 HydrophobicContact CD2-CB 3.93Å; T196-A200 WeakPolarHBondContact O-CB 3.16Å; T196-A200 PolarHBondContact O-N 2.92Å; M197-A200 PolarHBondContact O-N 3.25Å; A200-E202 PolarHBondContact O-N 3.46Å
201	L	85.5	Confident	90.7	Very high	29 Å²	29	38.6 Å²	38.6	15%	0.152	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.2	173.4	-76.4	168	0	0	0	113.8	L130 F145 M197 A198 H199 L203	L130-L201 HydrophobicContact CB-CD2 4.39Å; L130-L201 HydrophobicContact CD1-CD1 4.03Å; L130-L201 HydrophobicContact CD1-CD2 3.57Å; L130-L201 HydrophobicContact CD1-CG 3.42Å; L130-L201 VanDerWaalsContact CD1-CG 3.42Å; L130-L201 HydrophobicContact CG-CD2 3.58Å; L130-L201 HydrophobicContact CG-CG 3.96Å; F145-L201 HydrophobicContact CB-CD1 4.27Å; F145-L201 HydrophobicContact CD2-CD1 3.37Å; F145-L201 HydrophobicContact CE2-CD1 3.79Å; F145-L201 HydrophobicContact CG-CD1 3.83Å; M197-L201 WeakPolarHBondContact O-CB 3.42Å; M197-L201 WeakPolarHBondContact O-CG 3.41Å; M197-L201 PolarHBondContact O-N 3.49Å; A198-L201 PolarHBondContact O-N 3.4Å; H199-L201 VanDerWaalsContact C-N 3.28Å; H199-L201 PolarHBondContact O-N 3.26Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 HydrophobicContact CB-CD2 3.67Å; L201-L203 HydrophobicContact CB-CG 3.83Å; L201-L203 HydrophobicContact CD1-CD2 4.32Å; L201-L203 PolarHBondContact O-N 3.26Å
202	E	87.4	Confident	90.7	Very high	155 Å²	155	38.5 Å²	38.5	72%	0.724	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	48.4	-175.4	-57.5	179.5	164.4	0	0	111.8	A198 H199 A200 G204	A198-E202 PolarHBondContact O-N 3.23Å; H199-E202 PolarHBondContact O-N 3.1Å; A200-E202 PolarHBondContact O-N 3.46Å; E202-G204 PolarHBondContact O-N 2.9Å
203	L	84.4	Confident	90.6	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.131	22%	0.219	C	C	.	.			trans	-63.8	-2.4	-178	-60.1	-175.9	0	0	0	114.1	F145 F159 A198 L201 D205 K206 I208	F145-L203 HydrophobicContact CD1-CD1 3.77Å; F145-L203 HydrophobicContact CE1-CD1 4Å; F145-L203 HydrophobicContact CG-CD1 4.43Å; F159-L203 HydrophobicContact CB-CD1 4.24Å; F159-L203 HydrophobicContact CD2-CD1 4.05Å; F159-L203 HydrophobicContact CD2-CD2 3.92Å; F159-L203 HydrophobicContact CD2-CG 4.4Å; F159-L203 HydrophobicContact CE2-CD2 3.81Å; F159-L203 HydrophobicContact CG-CD1 4.28Å; F159-L203 HydrophobicContact CG-CD2 4.42Å; F159-L203 HydrophobicContact CZ-CD2 4.22Å; A198-L203 HydrophobicContact CB-CD1 3.9Å; A198-L203 PolarHBondContact O-N 3.08Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 HydrophobicContact CB-CD2 3.67Å; L201-L203 HydrophobicContact CB-CG 3.83Å; L201-L203 HydrophobicContact CD1-CD2 4.32Å; L201-L203 PolarHBondContact O-N 3.26Å; L203-D205 PolarHBondContact O-N 3.37Å; L203-K206 VanDerWaalsContact O-CB 3.3Å; L203-K206 WeakPolarHBondContact O-CB 3.33Å; L203-K206 WeakPolarHBondContact O-CG 3.33Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-I208 HydrophobicContact CD1-CG1 4.17Å
204	G	84	Confident	90.7	Very high	56 Å²	56	38.3 Å²	38.3	58%	0.577	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	-129.4	168	0	0	0	0	0	112.8	E202 K206 Q240	E202-G204 PolarHBondContact O-N 2.9Å; G204-K206 VanDerWaalsContact C-N 3.33Å; G204-Q240 PolarHBondContact O-NE2 3.32Å
205	D	86.5	Confident	90.7	Very high	130 Å²	130	38.9 Å²	38.9	70%	0.695	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.1	179.8	67.6	-20.9	0	0	0	113.4	L203	L203-D205 PolarHBondContact O-N 3.37Å
206	K	91.1	Very high	90.7	Very high	60 Å²	60	38.9 Å²	38.9	26%	0.261	22%	0.217	S	C	.	.			trans	-70.3	149.3	-178.2	-57.4	-58	179.9	-175.2	0	111.7	I156 F159 L203 G204 Q240	I156-K206 WeakPolarHBondContact O-CD 3.42Å; I156-K206 VanDerWaalsContact O-CE 3.26Å; I156-K206 WeakPolarHBondContact O-CE 3.33Å; I156-K206 PolarHBondContact O-NZ 2.78Å; F159-K206 HydrophobicContact CD2-CB 4.14Å; F159-K206 HydrophobicContact CD2-CG 4.5Å; F159-K206 HydrophobicContact CE2-CB 4.26Å; F159-K206 HydrophobicContact CE2-CG 4.12Å; L203-K206 VanDerWaalsContact O-CB 3.3Å; L203-K206 WeakPolarHBondContact O-CB 3.33Å; L203-K206 WeakPolarHBondContact O-CG 3.33Å; L203-K206 PolarHBondContact O-N 2.88Å; G204-K206 VanDerWaalsContact C-N 3.33Å; K206-Q240 PolarHBondContact O-NE2 2.94Å
207	M	95.3	Very high	90.7	Very high	44 Å²	44	36.4 Å²	36.4	22%	0.217	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147	172.3	-57.5	-67.9	-65.8	0	0	109.8	I157 A158 F159 E239 Q240 I242	I157-M207 PolarHBondContact O-N 3.32Å; A158-M207 CarbonylContact C-O 3.38Å; A158-M207 WeakPolarHBondContact CA-O 3.45Å; A158-M207 HydrophobicContact CB-CB 3.69Å; F159-M207 PolarHBondContact N-O 3.49Å; M207-E239 WeakPolarHBondContact CE-O 3.45Å; M207-Q240 CarbonylContact C-O 3.45Å; M207-Q240 WeakPolarHBondContact CA-O 3.48Å; M207-I242 HydrophobicContact CB-CD1 4.03Å; M207-I242 HydrophobicContact CB-CG1 4.45Å; M207-I242 HydrophobicContact CE-CD1 3.89Å; M207-I242 HydrophobicContact CE-CG1 3.52Å
208	I	96.4	Very high	90.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116	178.3	-59.1	158.2	0	0	0	107.9	F145 F159 A198 L203 I210 L236 Q240 I241 I242	F145-I208 HydrophobicContact CE1-CG2 4.22Å; F159-I208 CarbonylContact O-C 3.49Å; F159-I208 WeakPolarHBondContact O-CA 3.5Å; A198-I208 HydrophobicContact CB-CD1 3.64Å; A198-I208 HydrophobicContact CB-CG1 4.36Å; L203-I208 HydrophobicContact CD1-CG1 4.17Å; I208-I210 HydrophobicContact CG2-CG2 4.48Å; I208-L236 HydrophobicContact CD1-CD1 3.87Å; I208-L236 HydrophobicContact CD1-CD2 3.81Å; I208-L236 HydrophobicContact CD1-CG 4.47Å; I208-Q240 PolarHBondContact N-O 2.87Å; I208-I241 HydrophobicContact CB-CD1 3.97Å; I208-I241 HydrophobicContact CD1-CD1 4.19Å; I208-I241 WeakPolarHBondContact O-CA 3.31Å; I208-I242 PolarHBondContact O-N 2.73Å
209	S	95.7	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.8	173.4	-102.7	0	0	0	0	111.2	F159 A161 I242 E244	F159-S209 PolarHBondContact O-N 2.89Å; A161-S209 WeakPolarHBondContact CB-O 3.43Å; A161-S209 PolarHBondContact N-O 2.83Å; S209-I242 CarbonylContact C-O 3.58Å; S209-I242 WeakPolarHBondContact CA-O 3.38Å; S209-I242 WeakPolarHBondContact OG-CB 3.47Å; S209-E244 WeakPolarHBondContact CB-OE1 3.41Å; S209-E244 VanDerWaalsContact OG-CD 3.3Å; S209-E244 PolarHBondContact OG-OE1 3.38Å
210	I	95.4	Very high	91.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.4	172.4	54.7	158.2	0	0	0	110.7	A161 K191 A194 F195 I208 L212 L227 I241 I242 V243 E244	A161-I210 HydrophobicContact CB-CG2 4.18Å; K191-I210 HydrophobicContact CB-CD1 4.09Å; K191-I210 HydrophobicContact CD-CB 4.28Å; K191-I210 HydrophobicContact CD-CD1 4.11Å; K191-I210 HydrophobicContact CG-CD1 3.88Å; A194-I210 HydrophobicContact CB-CG2 4.19Å; F195-I210 HydrophobicContact CE1-CD1 4.16Å; F195-I210 HydrophobicContact CE1-CG2 4.06Å; F195-I210 HydrophobicContact CZ-CD1 3.68Å; I208-I210 HydrophobicContact CG2-CG2 4.48Å; I210-L212 HydrophobicContact CD1-CD1 4.38Å; I210-L227 HydrophobicContact CD1-CD2 4.06Å; I210-I241 HydrophobicContact CD1-CG2 4.44Å; I210-I241 HydrophobicContact CG1-CG2 4.25Å; I210-I242 PolarHBondContact N-O 2.8Å; I210-V243 HydrophobicContact CD1-CG2 4.2Å; I210-V243 HydrophobicContact CG1-CG2 4.18Å; I210-E244 PolarHBondContact O-N 3.17Å
211	N	92.4	Very high	91.2	Very high	44 Å²	44	40.4 Å²	40.4	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.7	173.4	-74.4	-64.1	0	0	0	111	E160 K191 E244	E160-N211 PolarHBondContact OE1-ND2 2.84Å; K191-N211 WeakPolarHBondContact CE-O 3.45Å; K191-N211 PolarHBondContact NZ-O 3.33Å; N211-E244 WeakPolarHBondContact CA-O 3.43Å; N211-E244 VanDerWaalsContact OD1-CB 3.32Å; N211-E244 WeakPolarHBondContact OD1-CB 3.46Å
212	L	93.1	Very high	91.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	25%	0.249	C	C	.	.			trans	-133	143.7	172.3	-88.7	170.9	0	0	0	110.3	D187 K191 I210 T216 L227 V243 E244 F245	D187-L212 WeakPolarHBondContact OD2-CD2 3.43Å; K191-L212 HydrophobicContact CD-CD2 4.39Å; K191-L212 HydrophobicContact CG-CD2 4.12Å; K191-L212 HydrophobicContact CG-CG 4.46Å; I210-L212 HydrophobicContact CD1-CD1 4.38Å; L212-T216 HydrophobicContact CD2-CG2 3.94Å; L212-L227 HydrophobicContact CD1-CD1 3.93Å; L212-V243 HydrophobicContact CB-CG1 3.93Å; L212-V243 HydrophobicContact CD1-CG1 3.7Å; L212-V243 HydrophobicContact CD1-CG2 4.37Å; L212-V243 HydrophobicContact CG-CG1 4.23Å; L212-E244 PolarHBondContact N-O 2.91Å; L212-F245 HydrophobicContact CB-CE1 4Å; L212-F245 WeakPolarHBondContact O-CD1 3.41Å
213	L	90.9	Very high	92	Very high	34 Å²	34	37.4 Å²	37.4	18%	0.178	22%	0.215	C	C	.	.			trans	-69.1	136.1	170.4	-56.8	170.8	0	0	0	109.3	I183 Y184 D187 M215 T216 E249	I183-L213 HydrophobicContact CG2-CD1 3.75Å; Y184-L213 HydrophobicContact CD1-CD1 4.42Å; Y184-L213 HydrophobicContact CE1-CD1 4.49Å; D187-L213 HydrophobicContact CB-CD1 4.28Å; D187-L213 PolarHBondContact OD2-N 3.18Å; L213-M215 PolarHBondContact O-N 3.43Å; L213-M215 VanDerWaalsContact O-N 3.17Å; L213-T216 WeakPolarHBondContact O-CB 3.27Å; L213-T216 PolarHBondContact O-N 2.99Å; L213-E249 WeakPolarHBondContact CA-OE2 3.32Å; L213-E249 WeakPolarHBondContact CD2-OE2 3.35Å
214	P	90.8	Very high	92.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-53.4	-41.4	177.6	-29.9	35	0	0	0	112.6	T216 L217 F245 E249 I251 F257	P214-T216 PolarHBondContact O-N 3.14Å; P214-L217 PolarHBondContact O-N 3.31Å; P214-F245 HydrophobicContact CB-CD1 4.38Å; P214-F245 HydrophobicContact CG-CB 4.36Å; P214-F245 HydrophobicContact CG-CD1 3.98Å; P214-E249 WeakPolarHBondContact CD-OE2 3.09Å; P214-E249 HydrophobicContact CG-CB 4.02Å; P214-I251 HydrophobicContact CB-CG1 3.97Å; P214-I251 HydrophobicContact CG-CG1 4.18Å; P214-F257 HydrophobicContact CB-CD2 3.88Å; P214-F257 HydrophobicContact CB-CE2 3.59Å; P214-F257 HydrophobicContact CB-CZ 4.05Å; P214-F257 HydrophobicContact CG-CE2 4.42Å
215	M	91.5	Very high	93.2	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.054	21%	0.209	C	C	.	.	H	α-helix	trans	-74.8	-11.9	-179	-65.7	-56.9	91.6	0	0	113.3	Y184 L213 V218 N219 I251 S252 F257	Y184-M215 HydrophobicContact CD1-CB 4.16Å; Y184-M215 HydrophobicContact CE1-CB 3.42Å; Y184-M215 VanDerWaalsContact CE1-CB 3.42Å; L213-M215 PolarHBondContact O-N 3.43Å; L213-M215 VanDerWaalsContact O-N 3.17Å; M215-V218 HydrophobicContact CE-CB 4.32Å; M215-V218 HydrophobicContact CE-CG2 3.59Å; M215-V218 PolarHBondContact O-N 2.96Å; M215-V218 HydrophobicContact SD-CB 4.42Å; M215-V218 HydrophobicContact SD-CG2 4.31Å; M215-N219 VanDerWaalsContact O-CB 3.24Å; M215-N219 WeakPolarHBondContact O-CB 3.5Å; M215-N219 PolarHBondContact O-N 2.83Å; M215-N219 PolarHBondContact O-ND2 3.31Å; M215-I251 HydrophobicContact CE-CB 4.37Å; M215-I251 HydrophobicContact CE-CG2 3.78Å; M215-S252 PolarHBondContact SD-OG 3.36Å; M215-S252 VanDerWaalsContact SD-OG 3.33Å; M215-F257 HydrophobicContact CE-CB 4.38Å
216	T	93.3	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-46.8	167.8	-64	0	0	0	0	110.5	Y184 D187 L188 L212 L213 P214 V218 N219 E220	Y184-T216 WeakPolarHBondContact O-CG2 3.03Å; D187-T216 WeakPolarHBondContact OD2-CB 3.15Å; D187-T216 PolarHBondContact OD2-OG1 3.37Å; L188-T216 HydrophobicContact CB-CG2 3.71Å; L188-T216 HydrophobicContact CD1-CG2 4.45Å; L212-T216 HydrophobicContact CD2-CG2 3.94Å; L213-T216 WeakPolarHBondContact O-CB 3.27Å; L213-T216 PolarHBondContact O-N 2.99Å; P214-T216 PolarHBondContact O-N 3.14Å; T216-V218 PolarHBondContact O-N 2.77Å; T216-N219 PolarHBondContact O-N 3.32Å; T216-E220 HydrophobicContact CG2-CG 4.35Å; T216-E220 VanDerWaalsContact O-CB 3.28Å; T216-E220 WeakPolarHBondContact O-CB 3.5Å; T216-E220 PolarHBondContact O-N 2.92Å
217	L	92.8	Very high	94	Very high	10 Å²	10	31 Å²	31	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-30.2	177.3	-79.4	-176.9	0	0	0	113.6	P214 A223 V224 F245 F257 A260 I261 L264	P214-L217 PolarHBondContact O-N 3.31Å; L217-A223 HydrophobicContact CD2-CB 3.93Å; L217-V224 HydrophobicContact CD2-CG2 4.44Å; L217-F245 HydrophobicContact CD1-CE1 3.82Å; L217-F245 HydrophobicContact CD1-CE2 4.46Å; L217-F245 HydrophobicContact CD1-CZ 3.42Å; L217-F245 VanDerWaalsContact CD1-CZ 3.42Å; L217-F245 HydrophobicContact CG-CE1 4.31Å; L217-F245 HydrophobicContact CG-CZ 4.25Å; L217-F257 HydrophobicContact CD1-CD2 4.37Å; L217-F257 HydrophobicContact CD1-CE2 4.04Å; L217-A260 HydrophobicContact CB-CB 3.89Å; L217-A260 HydrophobicContact CD1-CB 4.04Å; L217-A260 HydrophobicContact CG-CB 4.46Å; L217-I261 HydrophobicContact CD1-CD1 4.03Å; L217-L264 HydrophobicContact CD1-CD1 3.75Å; L217-L264 HydrophobicContact CD2-CD1 4.17Å; L217-L264 HydrophobicContact CD2-CG 4.42Å
218	V	92.4	Very high	94.1	Very high	17 Å²	17	31.5 Å²	31.5	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-90.2	-34.1	-175.7	-163.1	0	0	0	0	112	M215 T216 R253 E256 F257	M215-V218 HydrophobicContact CE-CB 4.32Å; M215-V218 HydrophobicContact CE-CG2 3.59Å; M215-V218 PolarHBondContact O-N 2.96Å; M215-V218 HydrophobicContact SD-CB 4.42Å; M215-V218 HydrophobicContact SD-CG2 4.31Å; T216-V218 PolarHBondContact O-N 2.77Å; V218-R253 HydrophobicContact CG1-CB 4.12Å; V218-R253 VanDerWaalsContact CG1-NH2 3.28Å; V218-R253 PolarHBondContact O-NH2 3.1Å; V218-E256 HydrophobicContact CG1-CB 3.5Å; V218-E256 VanDerWaalsContact CG1-CB 3.5Å; V218-E256 HydrophobicContact CG1-CG 4.36Å; V218-E256 WeakPolarHBondContact CG1-OE2 3.5Å; V218-F257 HydrophobicContact CG2-CB 3.82Å; V218-F257 HydrophobicContact CG2-CD2 4.29Å
219	N	92.6	Very high	94.2	Very high	64 Å²	64	36.5 Å²	36.5	34%	0.342	20%	0.204	S	C	.	.	H	α-helix	trans	-85.6	-21.2	179.7	-73.8	-57.6	0	0	0	113.7	Y184 M215 T216 P221 R253	Y184-N219 HydrophobicContact CD2-CB 3.66Å; Y184-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y184-N219 WeakPolarHBondContact CD2-ND2 3.09Å; Y184-N219 HydrophobicContact CE2-CB 4.24Å; Y184-N219 WeakPolarHBondContact CE2-ND2 3.4Å; Y184-N219 HydrophobicContact CG-CB 3.97Å; M215-N219 VanDerWaalsContact O-CB 3.24Å; M215-N219 WeakPolarHBondContact O-CB 3.5Å; M215-N219 PolarHBondContact O-N 2.83Å; M215-N219 PolarHBondContact O-ND2 3.31Å; T216-N219 PolarHBondContact O-N 3.32Å; N219-P221 WeakPolarHBondContact O-CD 3.44Å; N219-R253 PolarHBondContact OD1-NH2 2.75Å
220	E	94	Very high	94.3	Very high	43 Å²	43	38.9 Å²	38.9	20%	0.201	22%	0.215	C	C	.	.			trans	-108.1	94.4	177.6	-61.8	-65.9	159.7	0	0	109.2	T185 L188 T216 D222 A223	T185-E220 WeakPolarHBondContact CA-OE1 3.41Å; T185-E220 WeakPolarHBondContact CB-OE1 3.38Å; T185-E220 PolarHBondContact N-OE1 2.97Å; T185-E220 PolarHBondContact OG1-OE1 3.31Å; L188-E220 HydrophobicContact CD2-CB 3.92Å; L188-E220 HydrophobicContact CD2-CG 4.1Å; T216-E220 HydrophobicContact CG2-CG 4.35Å; T216-E220 VanDerWaalsContact O-CB 3.28Å; T216-E220 WeakPolarHBondContact O-CB 3.5Å; T216-E220 PolarHBondContact O-N 2.92Å; E220-D222 PolarHBondContact O-N 3.17Å; E220-D222 VanDerWaalsContact O-N 3.09Å; E220-A223 HydrophobicContact CB-CB 4.05Å; E220-A223 WeakPolarHBondContact O-CB 3.25Å; E220-A223 PolarHBondContact O-N 2.8Å
221	P	89.1	Confident	94.4	Very high	118 Å²	118	38.9 Å²	38.9	77%	0.766	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.1	-172.6	-22.6	33.4	0	0	0	113.6	N219	N219-P221 WeakPolarHBondContact O-CD 3.44Å
222	D	93.7	Very high	94.6	Very high	118 Å²	118	45 Å²	45	63%	0.631	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	11.8	-179.8	-63.3	-46.6	0	0	0	113	E220 V224 S225 F226	E220-D222 PolarHBondContact O-N 3.17Å; E220-D222 VanDerWaalsContact O-N 3.09Å; D222-V224 PolarHBondContact O-N 3.32Å; D222-S225 WeakPolarHBondContact O-CB 3.47Å; D222-S225 PolarHBondContact O-N 3.19Å; D222-S225 VanDerWaalsContact O-N 3.14Å; D222-F226 WeakPolarHBondContact O-CB 3.43Å; D222-F226 PolarHBondContact O-N 2.95Å
223	A	96.1	Very high	94.7	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-54.5	-46.7	-174.7	0	0	0	0	0	113.4	L188 L217 E220 F226 L227	L188-A223 HydrophobicContact CD1-CB 4.09Å; L188-A223 HydrophobicContact CD2-CB 4.02Å; L217-A223 HydrophobicContact CD2-CB 3.93Å; E220-A223 HydrophobicContact CB-CB 4.05Å; E220-A223 WeakPolarHBondContact O-CB 3.25Å; E220-A223 PolarHBondContact O-N 2.8Å; A223-F226 WeakPolarHBondContact O-CB 3.28Å; A223-F226 PolarHBondContact O-N 3.49Å; A223-L227 WeakPolarHBondContact O-CG 3.47Å; A223-L227 PolarHBondContact O-N 3.48Å
224	V	96.2	Very high	94.9	Very high	25 Å²	25	47.7 Å²	47.7	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-44.7	179.2	-178.8	0	0	0	0	110.8	L217 D222 F226 L227 L228 L264 A267	L217-V224 HydrophobicContact CD2-CG2 4.44Å; D222-V224 PolarHBondContact O-N 3.32Å; V224-F226 VanDerWaalsContact C-N 3.31Å; V224-F226 PolarHBondContact O-N 3.14Å; V224-L227 PolarHBondContact O-N 3.14Å; V224-L228 HydrophobicContact CG1-CD1 4.34Å; V224-L228 WeakPolarHBondContact O-CG 3.4Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-L264 HydrophobicContact CG1-CD2 4.32Å; V224-L264 HydrophobicContact CG2-CD2 3.98Å; V224-L264 HydrophobicContact CG2-CG 4.15Å; V224-A267 HydrophobicContact CG1-CB 4.18Å
225	S	97	Very high	95	Very high	63 Å²	63	51.2 Å²	51.2	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-62.3	-39.5	177	-54.1	0	0	0	0	111.8	D222 N229	D222-S225 WeakPolarHBondContact O-CB 3.47Å; D222-S225 PolarHBondContact O-N 3.19Å; D222-S225 VanDerWaalsContact O-N 3.14Å; S225-N229 VanDerWaalsContact O-CG 3.23Å; S225-N229 PolarHBondContact O-N 3.11Å; S225-N229 VanDerWaalsContact O-N 3.08Å; S225-N229 PolarHBondContact O-ND2 3.39Å; S225-N229 VanDerWaalsContact O-ND2 3.13Å
226	F	97.8	Very high	95.2	Very high	48 Å²	48	51.7 Å²	51.7	21%	0.211	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-51.8	175.6	175.8	-90.4	0	0	0	111.1	L188 K189 A192 D222 A223 V224 L228 N229 E230	L188-F226 HydrophobicContact CD1-CD1 3.61Å; L188-F226 HydrophobicContact CD1-CE1 4.19Å; L188-F226 HydrophobicContact CD1-CG 4.41Å; L188-F226 HydrophobicContact CD2-CB 4.18Å; L188-F226 HydrophobicContact CD2-CD1 4.02Å; L188-F226 HydrophobicContact CD2-CG 4.09Å; L188-F226 HydrophobicContact CG-CD1 3.53Å; L188-F226 HydrophobicContact CG-CE1 3.9Å; L188-F226 HydrophobicContact CG-CG 4.11Å; L188-F226 WeakPolarHBondContact O-CE1 3.29Å; K189-F226 HydrophobicContact CG-CZ 4.4Å; A192-F226 HydrophobicContact CB-CZ 4.25Å; D222-F226 WeakPolarHBondContact O-CB 3.43Å; D222-F226 PolarHBondContact O-N 2.95Å; A223-F226 WeakPolarHBondContact O-CB 3.28Å; A223-F226 PolarHBondContact O-N 3.49Å; V224-F226 VanDerWaalsContact C-N 3.31Å; V224-F226 PolarHBondContact O-N 3.14Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 2.86Å; F226-N229 PolarHBondContact O-N 2.88Å; F226-N229 VanDerWaalsContact O-N 3.15Å; F226-E230 HydrophobicContact CD1-CG 4.27Å; F226-E230 HydrophobicContact CE1-CG 3.78Å; F226-E230 HydrophobicContact CE2-CG 4.13Å; F226-E230 HydrophobicContact CZ-CG 3.71Å; F226-E230 PolarHBondContact O-N 2.96Å
227	L	97.9	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-45.9	178.3	-68.4	172.6	0	0	0	111.2	L188 K191 F195 I210 L212 A223 V224 N229 E230 I231 V243 L264 I269	L188-L227 HydrophobicContact CD1-CD2 4.14Å; L188-L227 HydrophobicContact CD1-CG 4.17Å; K191-L227 HydrophobicContact CB-CD2 4.03Å; K191-L227 HydrophobicContact CG-CD2 4.25Å; F195-L227 HydrophobicContact CE2-CD2 3.96Å; F195-L227 HydrophobicContact CZ-CD2 4.17Å; I210-L227 HydrophobicContact CD1-CD2 4.06Å; L212-L227 HydrophobicContact CD1-CD1 3.93Å; A223-L227 WeakPolarHBondContact O-CG 3.47Å; A223-L227 PolarHBondContact O-N 3.48Å; V224-L227 PolarHBondContact O-N 3.14Å; L227-N229 VanDerWaalsContact C-N 3.32Å; L227-N229 PolarHBondContact O-N 3.35Å; L227-E230 PolarHBondContact O-N 3.15Å; L227-I231 HydrophobicContact CB-CD1 4.48Å; L227-I231 WeakPolarHBondContact O-CB 3.47Å; L227-I231 WeakPolarHBondContact O-CD1 3.46Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.86Å; L227-V243 HydrophobicContact CD1-CG2 4.45Å; L227-L264 HydrophobicContact CD1-CD2 3.95Å; L227-I269 HydrophobicContact CB-CD1 4.45Å
228	L	98	Very high	95.5	Very high	56 Å²	56	55.9 Å²	55.9	29%	0.293	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-39.9	177.8	-75.4	174.2	0	0	0	113.5	V224 F226 K232 P238 A267 I269	V224-L228 HydrophobicContact CG1-CD1 4.34Å; V224-L228 WeakPolarHBondContact O-CG 3.4Å; V224-L228 PolarHBondContact O-N 3.39Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 2.86Å; L228-K232 WeakPolarHBondContact O-CB 3.49Å; L228-K232 PolarHBondContact O-N 3.04Å; L228-K232 VanDerWaalsContact O-N 3.07Å; L228-P238 HydrophobicContact CD2-CB 4.13Å; L228-P238 HydrophobicContact CD2-CG 3.68Å; L228-A267 HydrophobicContact CD1-CB 3.97Å; L228-A267 HydrophobicContact CD2-CB 4.1Å; L228-A267 HydrophobicContact CG-CB 4.34Å; L228-I269 HydrophobicContact CD2-CD1 4.37Å
229	N	98.1	Very high	95.8	Very high	106 Å²	106	60.7 Å²	60.7	57%	0.567	35%	0.345	S	S	*	.	H	α-helix	trans	-66.6	-43.4	177.6	-72.3	-30.5	0	0	0	111.5	S225 F226 L227 K232 A233	S225-N229 VanDerWaalsContact O-CG 3.23Å; S225-N229 PolarHBondContact O-N 3.11Å; S225-N229 VanDerWaalsContact O-N 3.08Å; S225-N229 PolarHBondContact O-ND2 3.39Å; S225-N229 VanDerWaalsContact O-ND2 3.13Å; F226-N229 PolarHBondContact O-N 2.88Å; F226-N229 VanDerWaalsContact O-N 3.15Å; L227-N229 VanDerWaalsContact C-N 3.32Å; L227-N229 PolarHBondContact O-N 3.35Å; N229-K232 PolarHBondContact O-N 3.27Å; N229-A233 VanDerWaalsContact O-CB 3.31Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.42Å
230	E	97.1	Very high	95.9	Very high	50 Å²	50	58.8 Å²	58.8	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-69.1	-39.9	178.7	-66	-60.5	147	0	0	112.3	A192 F195 F226 L227 K232 A233 N234	A192-E230 HydrophobicContact CB-CG 3.98Å; A192-E230 WeakPolarHBondContact CB-OE2 3.5Å; F195-E230 HydrophobicContact CD2-CB 3.68Å; F195-E230 HydrophobicContact CE2-CB 4.13Å; F226-E230 HydrophobicContact CD1-CG 4.27Å; F226-E230 HydrophobicContact CE1-CG 3.78Å; F226-E230 HydrophobicContact CE2-CG 4.13Å; F226-E230 HydrophobicContact CZ-CG 3.71Å; F226-E230 PolarHBondContact O-N 2.96Å; L227-E230 PolarHBondContact O-N 3.15Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.41Å; E230-A233 PolarHBondContact O-N 3.38Å; E230-N234 PolarHBondContact O-N 3.22Å; E230-N234 VanDerWaalsContact O-N 3.08Å; E230-N234 PolarHBondContact O-ND2 3.38Å
231	I	96.9	Very high	96.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-55.4	-50.7	172.7	-72	165.1	0	0	0	109.7	F195 L227 A233 N234 A235 L236 P238 I241 I269	F195-I231 HydrophobicContact CD2-CG1 4.36Å; F195-I231 HydrophobicContact CE1-CG1 4.39Å; F195-I231 HydrophobicContact CE2-CG1 3.91Å; F195-I231 HydrophobicContact CZ-CD1 4.4Å; F195-I231 HydrophobicContact CZ-CG1 3.92Å; L227-I231 HydrophobicContact CB-CD1 4.48Å; L227-I231 WeakPolarHBondContact O-CB 3.47Å; L227-I231 WeakPolarHBondContact O-CD1 3.46Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.86Å; I231-A233 PolarHBondContact O-N 3.15Å; I231-N234 PolarHBondContact O-N 3.38Å; I231-A235 PolarHBondContact O-N 3Å; I231-L236 HydrophobicContact CG2-CB 3.9Å; I231-L236 WeakPolarHBondContact CG2-O 3.33Å; I231-L236 PolarHBondContact O-N 3.49Å; I231-P238 HydrophobicContact CG2-CG 4.4Å; I231-I241 HydrophobicContact CD1-CB 4.22Å; I231-I241 HydrophobicContact CD1-CG1 3.61Å; I231-I241 HydrophobicContact CD1-CG2 4.47Å; I231-I241 HydrophobicContact CG1-CD1 4.49Å; I231-I241 HydrophobicContact CG1-CG1 3.8Å; I231-I269 HydrophobicContact CD1-CD1 3.86Å; I231-I269 HydrophobicContact CD1-CG1 4.35Å
232	K	96.5	Very high	96.5	Very high	172 Å²	172	51.4 Å²	51.4	75%	0.748	29%	0.289	S	S	*	.	H	α-helix	trans	-64.9	-40.3	179.2	-174.8	-179.9	179.8	-179	0	112.6	L228 N229 E230 N234 A235	L228-K232 WeakPolarHBondContact O-CB 3.49Å; L228-K232 PolarHBondContact O-N 3.04Å; L228-K232 VanDerWaalsContact O-N 3.07Å; N229-K232 PolarHBondContact O-N 3.27Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.41Å; K232-N234 PolarHBondContact O-N 3.49Å; K232-A235 PolarHBondContact O-N 2.98Å
233	A	96.3	Very high	96.7	Very high	78 Å²	78	45.8 Å²	45.8	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-63	-30.9	179.5	0	0	0	0	0	112.3	N229 E230 I231	N229-A233 VanDerWaalsContact O-CB 3.31Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.42Å; E230-A233 PolarHBondContact O-N 3.38Å; I231-A233 PolarHBondContact O-N 3.15Å
234	N	94.8	Very high	96.6	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	16.4	179.6	-67.9	-71.4	0	0	0	113.5	F195 T196 H199 E230 I231 K232 L236	F195-N234 HydrophobicContact CB-CB 4.11Å; T196-N234 VanDerWaalsContact CA-OD1 3.26Å; T196-N234 WeakPolarHBondContact CA-OD1 3.35Å; T196-N234 PolarHBondContact OG1-OD1 3.29Å; H199-N234 HydrophobicContact CB-CB 4.2Å; H199-N234 PolarHBondContact ND1-O 3.45Å; E230-N234 PolarHBondContact O-N 3.22Å; E230-N234 VanDerWaalsContact O-N 3.08Å; E230-N234 PolarHBondContact O-ND2 3.38Å; I231-N234 PolarHBondContact O-N 3.38Å; K232-N234 PolarHBondContact O-N 3.49Å; N234-L236 HydrophobicContact CB-CD1 4.32Å; N234-L236 HydrophobicContact CB-CG 4.34Å; N234-L236 PolarHBondContact O-N 2.93Å; N234-L236 VanDerWaalsContact O-N 3.14Å
235	A	93.9	Very high	96.4	Very high	77 Å²	77	44.7 Å²	44.7	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.5	179.6	0	0	0	0	0	114.5	I231 K232	I231-A235 PolarHBondContact O-N 3Å; K232-A235 PolarHBondContact O-N 2.98Å
236	L	95.3	Very high	95.8	Very high	20 Å²	20	43 Å²	43	11%	0.105	24%	0.239	C	C	.	.			trans	-94.3	164.7	170.7	-58.1	173	0	0	0	109.3	F195 I208 I231 N234 I241	F195-L236 HydrophobicContact CB-CD1 4Å; F195-L236 HydrophobicContact CD1-CD1 3.92Å; F195-L236 HydrophobicContact CG-CD1 4.21Å; I208-L236 HydrophobicContact CD1-CD1 3.87Å; I208-L236 HydrophobicContact CD1-CD2 3.81Å; I208-L236 HydrophobicContact CD1-CG 4.47Å; I231-L236 HydrophobicContact CG2-CB 3.9Å; I231-L236 WeakPolarHBondContact CG2-O 3.33Å; I231-L236 PolarHBondContact O-N 3.49Å; N234-L236 HydrophobicContact CB-CD1 4.32Å; N234-L236 HydrophobicContact CB-CG 4.34Å; N234-L236 PolarHBondContact O-N 2.93Å; N234-L236 VanDerWaalsContact O-N 3.14Å; L236-I241 HydrophobicContact CD1-CD1 4.23Å
237	V	95.7	Very high	94.9	Very high	70 Å²	70	41.2 Å²	41.2	42%	0.424	23%	0.231	S	C	.	.			trans	-112.4	148.4	170	-57.1	0	0	0	0	111.3	E239 Q240	V237-E239 HydrophobicContact CG2-CB 4.45Å; V237-E239 PolarHBondContact O-N 2.86Å; V237-Q240 HydrophobicContact CG2-CB 4.34Å; V237-Q240 HydrophobicContact CG2-CG 3.6Å; V237-Q240 WeakPolarHBondContact O-CB 3.48Å; V237-Q240 PolarHBondContact O-N 3.47Å
238	P	97.3	Very high	93.6	Very high	29 Å²	29	45 Å²	45	19%	0.188	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-54.8	-35.8	-177.8	-27.2	35.9	0	0	0	113.9	L228 I231 Q240 I241 A267 G268 I269	L228-P238 HydrophobicContact CD2-CB 4.13Å; L228-P238 HydrophobicContact CD2-CG 3.68Å; I231-P238 HydrophobicContact CG2-CG 4.4Å; P238-Q240 PolarHBondContact O-N 3.12Å; P238-I241 PolarHBondContact O-N 3.07Å; P238-A267 WeakPolarHBondContact CB-O 3.37Å; P238-G268 CarbonylContact C-O 3.53Å; P238-I269 HydrophobicContact CB-CG1 3.98Å
239	E	96.6	Very high	92.6	Very high	117 Å²	117	45 Å²	45	55%	0.547	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.5	-14.3	179.7	-60.4	81.9	177.3	0	0	113.4	M207 V237 G268	M207-E239 WeakPolarHBondContact CE-O 3.45Å; V237-E239 HydrophobicContact CG2-CB 4.45Å; V237-E239 PolarHBondContact O-N 2.86Å; E239-G268 WeakPolarHBondContact CA-O 3.48Å
240	Q	96.1	Very high	91.2	Very high	25 Å²	25	45.7 Å²	45.7	12%	0.117	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-84.5	-12.7	172	-68.7	179.5	-72.3	0	0	112.7	G204 K206 M207 I208 V237 P238	G204-Q240 PolarHBondContact O-NE2 3.32Å; K206-Q240 PolarHBondContact O-NE2 2.94Å; M207-Q240 CarbonylContact C-O 3.45Å; M207-Q240 WeakPolarHBondContact CA-O 3.48Å; I208-Q240 PolarHBondContact N-O 2.87Å; V237-Q240 HydrophobicContact CG2-CB 4.34Å; V237-Q240 HydrophobicContact CG2-CG 3.6Å; V237-Q240 WeakPolarHBondContact O-CB 3.48Å; V237-Q240 PolarHBondContact O-N 3.47Å; P238-Q240 PolarHBondContact O-N 3.12Å
241	I	97.9	Very high	90.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.7	-171.4	-52.7	-51.5	0	0	0	110.8	F195 I208 I210 I231 L236 P238 I269 S270	F195-I241 HydrophobicContact CD1-CD1 4.26Å; F195-I241 HydrophobicContact CE1-CD1 3.8Å; F195-I241 HydrophobicContact CE1-CG1 4.26Å; F195-I241 HydrophobicContact CE1-CG2 4.14Å; F195-I241 HydrophobicContact CZ-CG2 4.21Å; I208-I241 HydrophobicContact CB-CD1 3.97Å; I208-I241 HydrophobicContact CD1-CD1 4.19Å; I208-I241 WeakPolarHBondContact O-CA 3.31Å; I210-I241 HydrophobicContact CD1-CG2 4.44Å; I210-I241 HydrophobicContact CG1-CG2 4.25Å; I231-I241 HydrophobicContact CD1-CB 4.22Å; I231-I241 HydrophobicContact CD1-CG1 3.61Å; I231-I241 HydrophobicContact CD1-CG2 4.47Å; I231-I241 HydrophobicContact CG1-CD1 4.49Å; I231-I241 HydrophobicContact CG1-CG1 3.8Å; L236-I241 HydrophobicContact CD1-CD1 4.23Å; P238-I241 PolarHBondContact O-N 3.07Å; I241-I269 HydrophobicContact CB-CG2 4.28Å; I241-I269 HydrophobicContact CG2-CG2 4.15Å; I241-S270 PolarHBondContact O-N 3.21Å
242	I	97.7	Very high	89.6	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	170.1	-51.3	174.8	0	0	0	107.5	M207 I208 S209 I210 E244 S270 A272	M207-I242 HydrophobicContact CB-CD1 4.03Å; M207-I242 HydrophobicContact CB-CG1 4.45Å; M207-I242 HydrophobicContact CE-CD1 3.89Å; M207-I242 HydrophobicContact CE-CG1 3.52Å; I208-I242 PolarHBondContact O-N 2.73Å; S209-I242 CarbonylContact C-O 3.58Å; S209-I242 WeakPolarHBondContact CA-O 3.38Å; S209-I242 WeakPolarHBondContact OG-CB 3.47Å; I210-I242 PolarHBondContact N-O 2.8Å; I242-E244 HydrophobicContact CG2-CG 4.41Å; I242-S270 CarbonylContact C-O 3.49Å; I242-S270 WeakPolarHBondContact CA-O 3.41Å; I242-A272 HydrophobicContact CG2-CB 3.63Å
243	V	97.7	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.9	171.2	179	0	0	0	0	109.1	I210 L212 L227 F245 L264 I269 S270 V271 A272	I210-V243 HydrophobicContact CD1-CG2 4.2Å; I210-V243 HydrophobicContact CG1-CG2 4.18Å; L212-V243 HydrophobicContact CB-CG1 3.93Å; L212-V243 HydrophobicContact CD1-CG1 3.7Å; L212-V243 HydrophobicContact CD1-CG2 4.37Å; L212-V243 HydrophobicContact CG-CG1 4.23Å; L227-V243 HydrophobicContact CD1-CG2 4.45Å; V243-F245 HydrophobicContact CB-CE2 4.29Å; V243-F245 HydrophobicContact CB-CZ 4.35Å; V243-F245 HydrophobicContact CG1-CD2 4.43Å; V243-F245 HydrophobicContact CG1-CE1 3.96Å; V243-F245 HydrophobicContact CG1-CE2 3.6Å; V243-F245 HydrophobicContact CG1-CZ 3.31Å; V243-L264 HydrophobicContact CB-CD1 4.23Å; V243-L264 HydrophobicContact CG1-CD1 4.34Å; V243-L264 HydrophobicContact CG2-CD1 4.24Å; V243-L264 HydrophobicContact CG2-CD2 4.47Å; V243-I269 HydrophobicContact CG2-CG2 3.66Å; V243-S270 PolarHBondContact N-O 3.26Å; V243-V271 CarbonylContact O-C 3.58Å; V243-V271 WeakPolarHBondContact O-CA 3.38Å; V243-A272 PolarHBondContact O-N 3.43Å
244	E	94.8	Very high	88.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.8	-179.9	-74.1	-178.8	-168.2	0	0	111.3	S209 I210 N211 L212 I242 A272 D274 K295	S209-E244 WeakPolarHBondContact CB-OE1 3.41Å; S209-E244 VanDerWaalsContact OG-CD 3.3Å; S209-E244 PolarHBondContact OG-OE1 3.38Å; I210-E244 PolarHBondContact O-N 3.17Å; N211-E244 WeakPolarHBondContact CA-O 3.43Å; N211-E244 VanDerWaalsContact OD1-CB 3.32Å; N211-E244 WeakPolarHBondContact OD1-CB 3.46Å; L212-E244 PolarHBondContact N-O 2.91Å; I242-E244 HydrophobicContact CG2-CG 4.41Å; E244-A272 WeakPolarHBondContact CA-O 3.41Å; E244-A272 HydrophobicContact CG-CB 3.74Å; E244-D274 HydrophobicContact CB-CB 4.48Å; E244-K295 VanDerWaalsContact CD-CD 3.49Å; E244-K295 HydrophobicContact CG-CD 4.31Å; E244-K295 WeakPolarHBondContact OE1-CD 3.45Å; E244-K295 WeakPolarHBondContact OE1-CE 3.4Å; E244-K295 IonicContact OE1-NZ 3.12Å; E244-K295 PolarHBondContact OE1-NZ 3.28Å; E244-K295 WeakPolarHBondContact OE2-CD 3.42Å; E244-K295 IonicContact OE2-NZ 3.96Å; E244-K295 PolarHBondContact OE2-NZ 3.24Å
245	F	90.8	Very high	88.5	Confident	5 Å²	5	48.1 Å²	48.1	2%	0.022	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.6	174	-57	-79.7	0	0	0	110	L212 P214 L217 V243 F257 I261 L264 V271 A272 I273 D274	L212-F245 HydrophobicContact CB-CE1 4Å; L212-F245 WeakPolarHBondContact O-CD1 3.41Å; P214-F245 HydrophobicContact CB-CD1 4.38Å; P214-F245 HydrophobicContact CG-CB 4.36Å; P214-F245 HydrophobicContact CG-CD1 3.98Å; L217-F245 HydrophobicContact CD1-CE1 3.82Å; L217-F245 HydrophobicContact CD1-CE2 4.46Å; L217-F245 HydrophobicContact CD1-CZ 3.42Å; L217-F245 VanDerWaalsContact CD1-CZ 3.42Å; L217-F245 HydrophobicContact CG-CE1 4.31Å; L217-F245 HydrophobicContact CG-CZ 4.25Å; V243-F245 HydrophobicContact CB-CE2 4.29Å; V243-F245 HydrophobicContact CB-CZ 4.35Å; V243-F245 HydrophobicContact CG1-CD2 4.43Å; V243-F245 HydrophobicContact CG1-CE1 3.96Å; V243-F245 HydrophobicContact CG1-CE2 3.6Å; V243-F245 HydrophobicContact CG1-CZ 3.31Å; F245-F257 HydrophobicContact CD1-CE2 4Å; F245-F257 HydrophobicContact CD1-CZ 4.08Å; F245-F257 HydrophobicContact CD2-CZ 4.13Å; F245-F257 AromaticContact CE1-CE2 3.84Å; F245-F257 HydrophobicContact CE1-CE2 3.84Å; F245-F257 HydrophobicContact CE1-CZ 4.25Å; F245-F257 HydrophobicContact CE2-CE2 4.48Å; F245-F257 HydrophobicContact CE2-CZ 4.3Å; F245-F257 HydrophobicContact CG-CE2 4.41Å; F245-F257 HydrophobicContact CG-CZ 4.03Å; F245-F257 HydrophobicContact CZ-CE2 4.11Å; F245-F257 HydrophobicContact CZ-CZ 4.37Å; F245-I261 HydrophobicContact CD2-CD1 4.16Å; F245-I261 HydrophobicContact CE2-CD1 3.38Å; F245-I261 HydrophobicContact CZ-CD1 3.77Å; F245-L264 HydrophobicContact CZ-CD1 4.24Å; F245-V271 HydrophobicContact CD2-CG1 3.93Å; F245-V271 HydrophobicContact CE2-CG1 3.8Å; F245-A272 PolarHBondContact N-O 3.28Å; F245-I273 CarbonylContact O-C 3.52Å; F245-I273 WeakPolarHBondContact O-CA 3.15Å; F245-D274 PolarHBondContact O-N 2.98Å
246	T	84.6	Confident	88.5	Confident	27 Å²	27	49.2 Å²	49.2	17%	0.166	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132	176.2	-44.9	0	0	0	0	111.3	S248 E249 H275	T246-S248 VanDerWaalsContact C-N 3.25Å; T246-S248 WeakPolarHBondContact CG2-OG 3.33Å; T246-S248 PolarHBondContact O-N 3.23Å; T246-E249 WeakPolarHBondContact CB-OE1 3.18Å; T246-E249 PolarHBondContact O-N 3.12Å; T246-E249 PolarHBondContact OG1-OE1 2.99Å; T246-H275 HydrophobicContact CG2-CB 4.22Å
247	E	78	Confident	88.3	Confident	10 Å²	10	48.3 Å²	48.3	5%	0.047	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.1	-179.7	-164.7	-143.4	148.5	0	0	113.7	E249 I273 D274 F276 G277 G279 A281 G282 L285	E247-E249 VanDerWaalsContact C-N 3.28Å; E247-E249 PolarHBondContact O-N 2.83Å; E247-I273 HydrophobicContact CB-CG2 3.97Å; E247-I273 HydrophobicContact CG-CG2 4.33Å; E247-D274 PolarHBondContact N-O 3.49Å; E247-F276 HydrophobicContact CG-CD2 4.2Å; E247-F276 WeakPolarHBondContact OE2-CA 3.46Å; E247-G277 PolarHBondContact OE2-N 2.92Å; E247-G279 PolarHBondContact OE2-N 2.87Å; E247-A281 HydrophobicContact CG-CB 4.22Å; E247-A281 PolarHBondContact OE1-N 3.45Å; E247-A281 VanDerWaalsContact OE1-N 3.14Å; E247-G282 PolarHBondContact OE1-N 3.35Å; E247-L285 HydrophobicContact CG-CD2 4.2Å
248	S	71.7	Confident	88.1	Confident	81 Å²	81	45.7 Å²	45.7	57%	0.566	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.3	-176.3	61.8	0	0	0	0	113.9	T246	T246-S248 VanDerWaalsContact C-N 3.25Å; T246-S248 WeakPolarHBondContact CG2-OG 3.33Å; T246-S248 PolarHBondContact O-N 3.23Å
249	E	76.3	Confident	87.8	Confident	55 Å²	55	49.1 Å²	49.1	26%	0.257	26%	0.262	S	S	.	.	S	Bend	trans	-73.2	140.2	-177.7	-76.8	176.8	-145.2	0	0	112.4	L213 P214 T246 E247 I251	L213-E249 WeakPolarHBondContact CA-OE2 3.32Å; L213-E249 WeakPolarHBondContact CD2-OE2 3.35Å; P214-E249 WeakPolarHBondContact CD-OE2 3.09Å; P214-E249 HydrophobicContact CG-CB 4.02Å; T246-E249 WeakPolarHBondContact CB-OE1 3.18Å; T246-E249 PolarHBondContact O-N 3.12Å; T246-E249 PolarHBondContact OG1-OE1 2.99Å; E247-E249 VanDerWaalsContact C-N 3.28Å; E247-E249 PolarHBondContact O-N 2.83Å; E249-I251 PolarHBondContact O-N 2.9Å
250	V	68.3	Low	87.7	Confident	120 Å²	120	44.2 Å²	44.2	73%	0.727	24%	0.241	S	C	*	.			trans	-74.6	118.7	-173.8	179.8	0	0	0	0	110.4
251	I	78.2	Confident	87.6	Confident	42 Å²	42	43.2 Å²	43.2	22%	0.215	24%	0.237	C	C	.	.			trans	-100.4	87.3	173.4	-51.3	172.8	0	0	0	108.9	P214 M215 E249 F254 F257 L285	P214-I251 HydrophobicContact CB-CG1 3.97Å; P214-I251 HydrophobicContact CG-CG1 4.18Å; M215-I251 HydrophobicContact CE-CB 4.37Å; M215-I251 HydrophobicContact CE-CG2 3.78Å; E249-I251 PolarHBondContact O-N 2.9Å; I251-F254 HydrophobicContact CB-CD2 4.05Å; I251-F254 HydrophobicContact CD1-CD2 4.21Å; I251-F254 HydrophobicContact CD1-CE2 3.93Å; I251-F254 HydrophobicContact CG2-CB 4.12Å; I251-F254 HydrophobicContact CG2-CD2 3.67Å; I251-F254 HydrophobicContact CG2-CE2 4.39Å; I251-F254 HydrophobicContact CG2-CG 4.17Å; I251-F257 HydrophobicContact CD1-CD1 3.99Å; I251-F257 HydrophobicContact CD1-CE1 3.86Å; I251-F257 HydrophobicContact CG2-CB 3.87Å; I251-F257 HydrophobicContact CG2-CD1 3.98Å; I251-F257 HydrophobicContact CG2-CG 4.01Å; I251-L285 HydrophobicContact CD1-CD1 4.17Å
252	S	83.1	Confident	87.4	Confident	90 Å²	90	49 Å²	49	63%	0.629	26%	0.261	S	S	*	.	S	Bend	trans	-71.8	-31.8	-177.7	60.9	0	0	0	0	113.4	M215	M215-S252 PolarHBondContact SD-OG 3.36Å; M215-S252 VanDerWaalsContact SD-OG 3.33Å
253	R	87.7	Confident	87.3	Confident	78 Å²	78	51.6 Å²	51.6	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-118.7	72.1	-179.7	-67.4	-178.6	-65.6	160.1	-6.2	111.1	V218 N219 D255 E256 F257	V218-R253 HydrophobicContact CG1-CB 4.12Å; V218-R253 VanDerWaalsContact CG1-NH2 3.28Å; V218-R253 PolarHBondContact O-NH2 3.1Å; N219-R253 PolarHBondContact OD1-NH2 2.75Å; R253-D255 PolarHBondContact O-N 2.88Å; R253-E256 HydrophobicContact CB-CB 4.36Å; R253-E256 WeakPolarHBondContact CD-OE1 3.12Å; R253-E256 IonicContact CZ-OE2 3.59Å; R253-E256 IonicContact NE-OE2 3.36Å; R253-E256 IonicContact NH1-OE2 2.95Å; R253-E256 PolarHBondContact NH1-OE2 3.21Å; R253-E256 PolarHBondContact O-N 2.68Å; R253-F257 PolarHBondContact O-N 3.45Å
254	F	87.9	Confident	87.3	Confident	37 Å²	37	51.6 Å²	51.6	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-42.4	-170	-160.3	-76.3	0	0	0	114	I251 E256 F257 A258 L285 R288 F289	I251-F254 HydrophobicContact CB-CD2 4.05Å; I251-F254 HydrophobicContact CD1-CD2 4.21Å; I251-F254 HydrophobicContact CD1-CE2 3.93Å; I251-F254 HydrophobicContact CG2-CB 4.12Å; I251-F254 HydrophobicContact CG2-CD2 3.67Å; I251-F254 HydrophobicContact CG2-CE2 4.39Å; I251-F254 HydrophobicContact CG2-CG 4.17Å; F254-E256 PolarHBondContact O-N 2.61Å; F254-F257 WeakPolarHBondContact O-CB 3.33Å; F254-F257 PolarHBondContact O-N 2.7Å; F254-A258 PolarHBondContact O-N 3.44Å; F254-L285 HydrophobicContact CE2-CD1 3.63Å; F254-L285 HydrophobicContact CZ-CD1 3.85Å; F254-R288 HydrophobicContact CD1-CB 4.37Å; F254-R288 HydrophobicContact CE1-CB 3.33Å; F254-R288 HydrophobicContact CE1-CG 3.99Å; F254-R288 HydrophobicContact CZ-CB 3.63Å; F254-R288 HydrophobicContact CZ-CG 4.22Å; F254-F289 AromaticContact CZ-CD1 3.99Å; F254-F289 HydrophobicContact CZ-CD1 3.99Å; F254-F289 HydrophobicContact CZ-CE1 4.34Å
255	D	89.7	Confident	87.3	Confident	123 Å²	123	55.5 Å²	55.5	66%	0.658	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-40.5	-177.6	-62.7	-29.5	0	0	0	111.4	R253 A258 E259	R253-D255 PolarHBondContact O-N 2.88Å; D255-A258 PolarHBondContact O-N 2.96Å; D255-E259 PolarHBondContact O-N 3.16Å; D255-E259 VanDerWaalsContact O-N 3.15Å
256	E	92.5	Very high	87.6	Confident	99 Å²	99	59.6 Å²	59.6	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-39.2	175	-62.5	169.9	-137.1	0	0	111.4	V218 R253 F254 E259 A260	V218-E256 HydrophobicContact CG1-CB 3.5Å; V218-E256 VanDerWaalsContact CG1-CB 3.5Å; V218-E256 HydrophobicContact CG1-CG 4.36Å; V218-E256 WeakPolarHBondContact CG1-OE2 3.5Å; R253-E256 HydrophobicContact CB-CB 4.36Å; R253-E256 WeakPolarHBondContact CD-OE1 3.12Å; R253-E256 IonicContact CZ-OE2 3.59Å; R253-E256 IonicContact NE-OE2 3.36Å; R253-E256 IonicContact NH1-OE2 2.95Å; R253-E256 PolarHBondContact NH1-OE2 3.21Å; R253-E256 PolarHBondContact O-N 2.68Å; F254-E256 PolarHBondContact O-N 2.61Å; E256-E259 PolarHBondContact O-N 3.37Å; E256-A260 PolarHBondContact O-N 2.93Å
257	F	91.6	Very high	88.2	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-44.3	173.6	177.6	-109.6	0	0	0	111.9	P214 M215 L217 V218 F245 I251 R253 F254 E259 A260 I261 F289	P214-F257 HydrophobicContact CB-CD2 3.88Å; P214-F257 HydrophobicContact CB-CE2 3.59Å; P214-F257 HydrophobicContact CB-CZ 4.05Å; P214-F257 HydrophobicContact CG-CE2 4.42Å; M215-F257 HydrophobicContact CE-CB 4.38Å; L217-F257 HydrophobicContact CD1-CD2 4.37Å; L217-F257 HydrophobicContact CD1-CE2 4.04Å; V218-F257 HydrophobicContact CG2-CB 3.82Å; V218-F257 HydrophobicContact CG2-CD2 4.29Å; F245-F257 HydrophobicContact CD1-CE2 4Å; F245-F257 HydrophobicContact CD1-CZ 4.08Å; F245-F257 HydrophobicContact CD2-CZ 4.13Å; F245-F257 AromaticContact CE1-CE2 3.84Å; F245-F257 HydrophobicContact CE1-CE2 3.84Å; F245-F257 HydrophobicContact CE1-CZ 4.25Å; F245-F257 HydrophobicContact CE2-CE2 4.48Å; F245-F257 HydrophobicContact CE2-CZ 4.3Å; F245-F257 HydrophobicContact CG-CE2 4.41Å; F245-F257 HydrophobicContact CG-CZ 4.03Å; F245-F257 HydrophobicContact CZ-CE2 4.11Å; F245-F257 HydrophobicContact CZ-CZ 4.37Å; I251-F257 HydrophobicContact CD1-CD1 3.99Å; I251-F257 HydrophobicContact CD1-CE1 3.86Å; I251-F257 HydrophobicContact CG2-CB 3.87Å; I251-F257 HydrophobicContact CG2-CD1 3.98Å; I251-F257 HydrophobicContact CG2-CG 4.01Å; R253-F257 PolarHBondContact O-N 3.45Å; F254-F257 WeakPolarHBondContact O-CB 3.33Å; F254-F257 PolarHBondContact O-N 2.7Å; F257-E259 VanDerWaalsContact C-N 3.32Å; F257-E259 PolarHBondContact O-N 3.01Å; F257-A260 WeakPolarHBondContact O-CB 3.33Å; F257-A260 PolarHBondContact O-N 2.86Å; F257-A260 VanDerWaalsContact O-N 3.12Å; F257-I261 HydrophobicContact CD1-CG1 4.32Å; F257-I261 HydrophobicContact CE1-CD1 4.27Å; F257-I261 HydrophobicContact CE1-CG1 3.91Å; F257-I261 HydrophobicContact CE2-CD1 3.9Å; F257-I261 HydrophobicContact CE2-CG1 4.15Å; F257-I261 HydrophobicContact CZ-CD1 3.69Å; F257-I261 HydrophobicContact CZ-CG1 3.83Å; F257-I261 WeakPolarHBondContact O-CG1 3.4Å; F257-I261 PolarHBondContact O-N 3.02Å; F257-F289 HydrophobicContact CE1-CD1 4.47Å; F257-F289 AromaticContact CE1-CE1 3.9Å; F257-F289 HydrophobicContact CE1-CE1 3.9Å; F257-F289 HydrophobicContact CE1-CZ 4.14Å
258	A	90.7	Very high	89.1	Confident	15 Å²	15	60.2 Å²	60.2	12%	0.124	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-38	178.2	0	0	0	0	0	112.5	F254 D255 I261 K262	F254-A258 PolarHBondContact O-N 3.44Å; D255-A258 PolarHBondContact O-N 2.96Å; A258-I261 PolarHBondContact O-N 3.08Å; A258-K262 WeakPolarHBondContact O-CG 3.04Å; A258-K262 PolarHBondContact O-N 2.8Å; A258-K262 VanDerWaalsContact O-N 3.12Å
259	E	92.3	Very high	90.4	Very high	102 Å²	102	56.5 Å²	56.5	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-35.8	173.2	-68.4	-55.9	130.1	0	0	112.6	D255 E256 F257 K262 S263	D255-E259 PolarHBondContact O-N 3.16Å; D255-E259 VanDerWaalsContact O-N 3.15Å; E256-E259 PolarHBondContact O-N 3.37Å; F257-E259 VanDerWaalsContact C-N 3.32Å; F257-E259 PolarHBondContact O-N 3.01Å; E259-K262 PolarHBondContact O-N 2.98Å; E259-K262 IonicContact OE1-NZ 2.77Å; E259-K262 PolarHBondContact OE1-NZ 3.01Å; E259-K262 IonicContact OE2-NZ 3.51Å; E259-S263 PolarHBondContact O-N 3.21Å; E259-S263 PolarHBondContact O-OG 3.19Å
260	A	93.4	Very high	91.4	Very high	13 Å²	13	55.5 Å²	55.5	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-39.8	174	0	0	0	0	0	112.1	L217 E256 F257 K262 S263 L264	L217-A260 HydrophobicContact CB-CB 3.89Å; L217-A260 HydrophobicContact CD1-CB 4.04Å; L217-A260 HydrophobicContact CG-CB 4.46Å; E256-A260 PolarHBondContact O-N 2.93Å; F257-A260 WeakPolarHBondContact O-CB 3.33Å; F257-A260 PolarHBondContact O-N 2.86Å; F257-A260 VanDerWaalsContact O-N 3.12Å; A260-K262 PolarHBondContact O-N 2.97Å; A260-S263 WeakPolarHBondContact O-CB 3Å; A260-S263 PolarHBondContact O-N 3.17Å; A260-S263 VanDerWaalsContact O-N 3.12Å; A260-L264 PolarHBondContact O-N 3.21Å
261	I	94.1	Very high	92.8	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-45.9	171.9	-67.7	-53.1	0	0	0	111	L217 F245 F257 A258 S263 L264 K265 V271 F289	L217-I261 HydrophobicContact CD1-CD1 4.03Å; F245-I261 HydrophobicContact CD2-CD1 4.16Å; F245-I261 HydrophobicContact CE2-CD1 3.38Å; F245-I261 HydrophobicContact CZ-CD1 3.77Å; F257-I261 HydrophobicContact CD1-CG1 4.32Å; F257-I261 HydrophobicContact CE1-CD1 4.27Å; F257-I261 HydrophobicContact CE1-CG1 3.91Å; F257-I261 HydrophobicContact CE2-CD1 3.9Å; F257-I261 HydrophobicContact CE2-CG1 4.15Å; F257-I261 HydrophobicContact CZ-CD1 3.69Å; F257-I261 HydrophobicContact CZ-CG1 3.83Å; F257-I261 WeakPolarHBondContact O-CG1 3.4Å; F257-I261 PolarHBondContact O-N 3.02Å; A258-I261 PolarHBondContact O-N 3.08Å; I261-S263 PolarHBondContact O-N 2.9Å; I261-L264 HydrophobicContact CD1-CD1 4.36Å; I261-L264 PolarHBondContact O-N 3.17Å; I261-K265 HydrophobicContact CG2-CD 4.29Å; I261-K265 HydrophobicContact CG2-CG 4.49Å; I261-K265 WeakPolarHBondContact O-CG 3.44Å; I261-K265 PolarHBondContact O-N 2.9Å; I261-V271 HydrophobicContact CD1-CG1 4.01Å; I261-V271 HydrophobicContact CD1-CG2 4.14Å; I261-V271 HydrophobicContact CG2-CG2 4.3Å; I261-F289 HydrophobicContact CG2-CD2 4.16Å
262	K	94.5	Very high	93.6	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-37.3	175.4	-70.3	173.2	-172.1	169.4	0	111.8	A258 E259 A260 K265 A266	A258-K262 WeakPolarHBondContact O-CG 3.04Å; A258-K262 PolarHBondContact O-N 2.8Å; A258-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 PolarHBondContact O-N 2.98Å; E259-K262 IonicContact OE1-NZ 2.77Å; E259-K262 PolarHBondContact OE1-NZ 3.01Å; E259-K262 IonicContact OE2-NZ 3.51Å; A260-K262 PolarHBondContact O-N 2.97Å; K262-K265 PolarHBondContact O-N 3.31Å; K262-A266 VanDerWaalsContact O-CB 3.26Å; K262-A266 WeakPolarHBondContact O-CB 3.24Å; K262-A266 PolarHBondContact O-N 3.45Å
263	S	95.6	Very high	94	Very high	59 Å²	59	43.6 Å²	43.6	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-40.5	178.3	-58.2	0	0	0	0	112.4	E259 A260 I261 A267	E259-S263 PolarHBondContact O-N 3.21Å; E259-S263 PolarHBondContact O-OG 3.19Å; A260-S263 WeakPolarHBondContact O-CB 3Å; A260-S263 PolarHBondContact O-N 3.17Å; A260-S263 VanDerWaalsContact O-N 3.12Å; I261-S263 PolarHBondContact O-N 2.9Å; S263-A267 WeakPolarHBondContact O-CB 3.16Å; S263-A267 PolarHBondContact O-N 3.3Å; S263-A267 VanDerWaalsContact O-N 3.17Å
264	L	96.8	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-50.1	171.3	-76.7	176.4	0	0	0	111.6	L217 V224 L227 V243 F245 A260 I261 A266 A267 G268 I269 V271	L217-L264 HydrophobicContact CD1-CD1 3.75Å; L217-L264 HydrophobicContact CD2-CD1 4.17Å; L217-L264 HydrophobicContact CD2-CG 4.42Å; V224-L264 HydrophobicContact CG1-CD2 4.32Å; V224-L264 HydrophobicContact CG2-CD2 3.98Å; V224-L264 HydrophobicContact CG2-CG 4.15Å; L227-L264 HydrophobicContact CD1-CD2 3.95Å; V243-L264 HydrophobicContact CB-CD1 4.23Å; V243-L264 HydrophobicContact CG1-CD1 4.34Å; V243-L264 HydrophobicContact CG2-CD1 4.24Å; V243-L264 HydrophobicContact CG2-CD2 4.47Å; F245-L264 HydrophobicContact CZ-CD1 4.24Å; A260-L264 PolarHBondContact O-N 3.21Å; I261-L264 HydrophobicContact CD1-CD1 4.36Å; I261-L264 PolarHBondContact O-N 3.17Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.02Å; L264-A267 WeakPolarHBondContact O-CA 3.08Å; L264-A267 WeakPolarHBondContact O-CB 2.78Å; L264-A267 PolarHBondContact O-N 3.33Å; L264-G268 PolarHBondContact O-N 3.29Å; L264-I269 HydrophobicContact CB-CB 4.4Å; L264-I269 HydrophobicContact CD2-CB 4.33Å; L264-I269 HydrophobicContact CD2-CD1 3.87Å; L264-I269 HydrophobicContact CD2-CG2 4.24Å; L264-I269 PolarHBondContact O-N 2.97Å; L264-I269 VanDerWaalsContact O-N 3.1Å; L264-V271 HydrophobicContact CB-CG2 4.32Å; L264-V271 HydrophobicContact CD1-CG2 4.14Å
265	K	96.2	Very high	93.9	Very high	83 Å²	83	42 Å²	42	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-39.9	-179.4	-63.4	-170.2	77.1	156.7	0	112	I261 K262 A267 G268 I269 V271 Q290 D292	I261-K265 HydrophobicContact CG2-CD 4.29Å; I261-K265 HydrophobicContact CG2-CG 4.49Å; I261-K265 WeakPolarHBondContact O-CG 3.44Å; I261-K265 PolarHBondContact O-N 2.9Å; K262-K265 PolarHBondContact O-N 3.31Å; K265-A267 PolarHBondContact O-N 3.27Å; K265-G268 PolarHBondContact O-N 3.06Å; K265-I269 WeakPolarHBondContact CA-O 3.22Å; K265-V271 HydrophobicContact CG-CG2 4.29Å; K265-Q290 PolarHBondContact NZ-O 3.28Å; K265-D292 WeakPolarHBondContact CE-OD1 3.27Å; K265-D292 WeakPolarHBondContact CE-OD2 3.39Å; K265-D292 IonicContact NZ-OD1 2.92Å; K265-D292 PolarHBondContact NZ-OD1 2.79Å; K265-D292 IonicContact NZ-OD2 3.55Å
266	A	96.6	Very high	93.8	Very high	91 Å²	91	36.3 Å²	36.3	75%	0.752	21%	0.208	S	C	*	.	H	α-helix	trans	-63.2	-26.1	175.1	0	0	0	0	0	112.8	K262 L264 G268	K262-A266 VanDerWaalsContact O-CB 3.26Å; K262-A266 WeakPolarHBondContact O-CB 3.24Å; K262-A266 PolarHBondContact O-N 3.45Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.02Å; A266-G268 VanDerWaalsContact C-N 3.29Å
267	A	97	Very high	93.1	Very high	26 Å²	26	33.1 Å²	33.1	22%	0.215	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.9	175.7	0	0	0	0	0	113.8	V224 L228 P238 S263 L264 K265	V224-A267 HydrophobicContact CG1-CB 4.18Å; L228-A267 HydrophobicContact CD1-CB 3.97Å; L228-A267 HydrophobicContact CD2-CB 4.1Å; L228-A267 HydrophobicContact CG-CB 4.34Å; P238-A267 WeakPolarHBondContact CB-O 3.37Å; S263-A267 WeakPolarHBondContact O-CB 3.16Å; S263-A267 PolarHBondContact O-N 3.3Å; S263-A267 VanDerWaalsContact O-N 3.17Å; L264-A267 WeakPolarHBondContact O-CA 3.08Å; L264-A267 WeakPolarHBondContact O-CB 2.78Å; L264-A267 PolarHBondContact O-N 3.33Å; K265-A267 PolarHBondContact O-N 3.27Å
268	G	97.3	Very high	92.1	Very high	24 Å²	24	35.2 Å²	35.2	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	0.7	-177.3	0	0	0	0	0	114.4	P238 E239 L264 K265 A266	P238-G268 CarbonylContact C-O 3.53Å; E239-G268 WeakPolarHBondContact CA-O 3.48Å; L264-G268 PolarHBondContact O-N 3.29Å; K265-G268 PolarHBondContact O-N 3.06Å; A266-G268 VanDerWaalsContact C-N 3.29Å
269	I	98.1	Very high	90.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	22%	0.224	C	C	.	.			trans	-84.2	129.1	-179.8	-59.9	173.5	0	0	0	109.2	L227 L228 I231 P238 I241 V243 L264 K265	L227-I269 HydrophobicContact CB-CD1 4.45Å; L228-I269 HydrophobicContact CD2-CD1 4.37Å; I231-I269 HydrophobicContact CD1-CD1 3.86Å; I231-I269 HydrophobicContact CD1-CG1 4.35Å; P238-I269 HydrophobicContact CB-CG1 3.98Å; I241-I269 HydrophobicContact CB-CG2 4.28Å; I241-I269 HydrophobicContact CG2-CG2 4.15Å; V243-I269 HydrophobicContact CG2-CG2 3.66Å; L264-I269 HydrophobicContact CB-CB 4.4Å; L264-I269 HydrophobicContact CD2-CB 4.33Å; L264-I269 HydrophobicContact CD2-CD1 3.87Å; L264-I269 HydrophobicContact CD2-CG2 4.24Å; L264-I269 PolarHBondContact O-N 2.97Å; L264-I269 VanDerWaalsContact O-N 3.1Å; K265-I269 WeakPolarHBondContact CA-O 3.22Å
270	S	97.7	Very high	89.5	Confident	34 Å²	34	38.8 Å²	38.8	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	154.1	177	-64.4	0	0	0	0	111.3	I241 I242 V243 D292	I241-S270 PolarHBondContact O-N 3.21Å; I242-S270 CarbonylContact C-O 3.49Å; I242-S270 WeakPolarHBondContact CA-O 3.41Å; V243-S270 PolarHBondContact N-O 3.26Å; S270-D292 WeakPolarHBondContact CA-OD2 3.15Å
271	V	97	Very high	87.9	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.9	179.4	172.6	0	0	0	0	110.7	V243 F245 I261 L264 K265 F289 P291 D292 R293	V243-V271 CarbonylContact O-C 3.58Å; V243-V271 WeakPolarHBondContact O-CA 3.38Å; F245-V271 HydrophobicContact CD2-CG1 3.93Å; F245-V271 HydrophobicContact CE2-CG1 3.8Å; I261-V271 HydrophobicContact CD1-CG1 4.01Å; I261-V271 HydrophobicContact CD1-CG2 4.14Å; I261-V271 HydrophobicContact CG2-CG2 4.3Å; L264-V271 HydrophobicContact CB-CG2 4.32Å; L264-V271 HydrophobicContact CD1-CG2 4.14Å; K265-V271 HydrophobicContact CG-CG2 4.29Å; V271-F289 HydrophobicContact CG1-CE2 4.38Å; V271-P291 HydrophobicContact CG1-CB 4.27Å; V271-P291 WeakPolarHBondContact O-CB 3.18Å; V271-D292 PolarHBondContact N-OD2 2.62Å; V271-D292 PolarHBondContact O-N 2.92Å; V271-R293 PolarHBondContact O-N 3.02Å
272	A	94.8	Very high	86.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.9	176.3	0	0	0	0	0	111.8	I242 V243 E244 F245 R293	I242-A272 HydrophobicContact CG2-CB 3.63Å; V243-A272 PolarHBondContact O-N 3.43Å; E244-A272 WeakPolarHBondContact CA-O 3.41Å; E244-A272 HydrophobicContact CG-CB 3.74Å; F245-A272 PolarHBondContact N-O 3.28Å; A272-R293 CarbonylContact C-O 3.57Å; A272-R293 WeakPolarHBondContact CA-O 3.37Å; A272-R293 HydrophobicContact CB-CB 3.95Å; A272-R293 HydrophobicContact CB-CG 4.46Å
273	I	91.9	Very high	86.3	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.6	169.5	-60	172.1	0	0	0	108.3	F245 E247 F276 L285 L286 F289 P291 R293 I294 K295	F245-I273 CarbonylContact O-C 3.52Å; F245-I273 WeakPolarHBondContact O-CA 3.15Å; E247-I273 HydrophobicContact CB-CG2 3.97Å; E247-I273 HydrophobicContact CG-CG2 4.33Å; I273-F276 HydrophobicContact CG2-CD2 3.95Å; I273-L285 HydrophobicContact CD1-CD2 3.72Å; I273-L285 HydrophobicContact CD1-CG 4.17Å; I273-L285 HydrophobicContact CG2-CD2 4.41Å; I273-L286 HydrophobicContact CD1-CD2 3.81Å; I273-F289 HydrophobicContact CD1-CE2 4.01Å; I273-F289 HydrophobicContact CD1-CZ 3.65Å; I273-F289 HydrophobicContact CG1-CE2 4.19Å; I273-F289 HydrophobicContact CG1-CZ 3.94Å; I273-P291 HydrophobicContact CD1-CB 4.29Å; I273-P291 HydrophobicContact CD1-CG 3.68Å; I273-P291 HydrophobicContact CG1-CB 4.05Å; I273-P291 HydrophobicContact CG1-CG 3.91Å; I273-R293 PolarHBondContact N-O 3.39Å; I273-I294 HydrophobicContact CB-CG1 4.4Å; I273-K295 PolarHBondContact O-N 2.91Å
274	D	89.2	Confident	85.7	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	155.2	179.6	-162.9	23.7	0	0	0	112.5	E244 F245 E247 F276 K295 M331	E244-D274 HydrophobicContact CB-CB 4.48Å; F245-D274 PolarHBondContact O-N 2.98Å; E247-D274 PolarHBondContact N-O 3.49Å; D274-F276 PolarHBondContact O-N 3.29Å; D274-K295 HydrophobicContact CB-CD 4.27Å; D274-K295 WeakPolarHBondContact OD1-CB 3.43Å; D274-K295 WeakPolarHBondContact OD1-CD 3.3Å; D274-K295 IonicContact OD1-NZ 2.63Å; D274-K295 PolarHBondContact OD1-NZ 3.08Å; D274-K295 IonicContact OD2-NZ 2.68Å; D274-M331 WeakPolarHBondContact OD1-CE 3.39Å
275	H	84.5	Confident	85	Confident	78 Å²	78	43.3 Å²	43.3	36%	0.361	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.6	35.9	-179.3	-64	-71.6	0	0	0	114.5	T246 G277 A278 K295 M331	T246-H275 HydrophobicContact CG2-CB 4.22Å; H275-G277 PolarHBondContact O-N 3.39Å; H275-A278 HydrophobicContact CB-CB 4.36Å; H275-A278 WeakPolarHBondContact O-CB 3.41Å; H275-A278 PolarHBondContact O-N 3.08Å; H275-A278 VanDerWaalsContact O-N 3.1Å; H275-K295 PolarHBondContact N-O 3.47Å; H275-M331 WeakPolarHBondContact CE1-CE 3.43Å; H275-M331 WeakPolarHBondContact ND1-CE 3.43Å
276	F	87.6	Confident	84.6	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.8	-178.1	-166.3	-92.6	0	0	0	111.5	E247 I273 D274 L283 L286 I294 K295 S297 I317	E247-F276 HydrophobicContact CG-CD2 4.2Å; E247-F276 WeakPolarHBondContact OE2-CA 3.46Å; I273-F276 HydrophobicContact CG2-CD2 3.95Å; D274-F276 PolarHBondContact O-N 3.29Å; F276-L283 HydrophobicContact CZ-CD2 4.35Å; F276-L286 HydrophobicContact CE2-CD1 4.34Å; F276-L286 HydrophobicContact CE2-CD2 4.3Å; F276-L286 HydrophobicContact CE2-CG 4.29Å; F276-L286 HydrophobicContact CZ-CD1 3.99Å; F276-L286 HydrophobicContact CZ-CG 4.34Å; F276-I294 HydrophobicContact CB-CG2 3.4Å; F276-I294 HydrophobicContact CD1-CG2 3.79Å; F276-I294 HydrophobicContact CD2-CD1 4.42Å; F276-I294 HydrophobicContact CD2-CG2 4.07Å; F276-I294 HydrophobicContact CE2-CD1 4.31Å; F276-I294 HydrophobicContact CG-CG2 3.48Å; F276-I294 VanDerWaalsContact CG-CG2 3.48Å; F276-I294 HydrophobicContact CZ-CD1 4.48Å; F276-K295 WeakPolarHBondContact CB-O 3.4Å; F276-K295 PolarHBondContact N-O 2.93Å; F276-S297 PolarHBondContact O-N 2.95Å; F276-S297 VanDerWaalsContact O-N 3.07Å; F276-I317 HydrophobicContact CD1-CD1 4.19Å; F276-I317 HydrophobicContact CD1-CG2 4.34Å; F276-I317 HydrophobicContact CE1-CD1 4.21Å; F276-I317 HydrophobicContact CE1-CG1 4.18Å; F276-I317 HydrophobicContact CE1-CG2 4.26Å
277	G	78.8	Confident	84	Confident	32 Å²	32	39 Å²	39	33%	0.33	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-6.8	-175.3	0	0	0	0	0	114.8	E247 H275	E247-G277 PolarHBondContact OE2-N 2.92Å; H275-G277 PolarHBondContact O-N 3.39Å
278	A	69.3	Low	83.4	Confident	45 Å²	45	44.9 Å²	44.9	37%	0.372	26%	0.261	S	S	.	.	S	Bend	trans	-82	-19.8	169.4	0	0	0	0	0	112.4	H275	H275-A278 HydrophobicContact CB-CB 4.36Å; H275-A278 WeakPolarHBondContact O-CB 3.41Å; H275-A278 PolarHBondContact O-N 3.08Å; H275-A278 VanDerWaalsContact O-N 3.1Å
279	G	65.6	Low	82.8	Confident	22 Å²	22	44.3 Å²	44.3	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	-99.4	-172.1	-176.8	0	0	0	0	0	115.1	E247	E247-G279 PolarHBondContact OE2-N 2.87Å
280	F	63	Low	82.5	Confident	171 Å²	171	48.5 Å²	48.5	75%	0.75	27%	0.271	S	S	*	.	S	Bend	trans	-103.9	-5.5	176.5	-62.8	-81.1	0	0	0	113.5	R571	F280-R571 VanDerWaalsContact CG-NH1 3.29Å
281	A	59.8	Low	82.3	Confident	39 Å²	39	47 Å²	47	32%	0.322	26%	0.261	S	S	.	.			trans	-76.4	-41.7	-174.3	0	0	0	0	0	111	E247 L284 L285	E247-A281 HydrophobicContact CG-CB 4.22Å; E247-A281 PolarHBondContact OE1-N 3.45Å; E247-A281 VanDerWaalsContact OE1-N 3.14Å; A281-L284 PolarHBondContact O-N 3.18Å; A281-L285 HydrophobicContact CB-CB 4.3Å; A281-L285 HydrophobicContact CB-CD2 4.37Å
282	G	74	Confident	82.2	Confident	21 Å²	21	49.5 Å²	49.5	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	48.9	-140.2	172.6	0	0	0	0	0	113.7	E247 L284 L285	E247-G282 PolarHBondContact OE1-N 3.35Å; G282-L284 PolarHBondContact O-N 3.13Å; G282-L285 WeakPolarHBondContact O-CB 3.46Å; G282-L285 PolarHBondContact O-N 3.24Å
283	L	82.4	Confident	82.2	Confident	99 Å²	99	50.2 Å²	50.2	52%	0.518	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-19.8	-176.1	-61.8	176.5	0	0	0	114.2	F276 L285 L286 S287 C320	F276-L283 HydrophobicContact CZ-CD2 4.35Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.38Å; L283-L286 HydrophobicContact CD2-CD1 4.1Å; L283-L286 PolarHBondContact O-N 2.63Å; L283-S287 PolarHBondContact O-N 3.3Å; L283-C320 HydrophobicContact CD2-CB 4.25Å
284	L	81.8	Confident	82.3	Confident	119 Å²	119	50.1 Å²	50.1	62%	0.623	28%	0.276	S	S	*	.	H	α-helix	trans	-65.3	-34.2	177.9	-177.7	63	0	0	0	111.1	A281 G282 L286 S287	A281-L284 PolarHBondContact O-N 3.18Å; G282-L284 PolarHBondContact O-N 3.13Å; L284-L286 VanDerWaalsContact C-N 3.29Å; L284-L286 PolarHBondContact O-N 3.5Å; L284-S287 WeakPolarHBondContact O-CB 3.44Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 2.69Å
285	L	82.8	Confident	82.4	Confident	14 Å²	14	50 Å²	50	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-44.9	176.4	-169.6	59.2	0	0	0	111.2	E247 I251 F254 I273 A281 G282 L283 S287 R288 F289	E247-L285 HydrophobicContact CG-CD2 4.2Å; I251-L285 HydrophobicContact CD1-CD1 4.17Å; F254-L285 HydrophobicContact CE2-CD1 3.63Å; F254-L285 HydrophobicContact CZ-CD1 3.85Å; I273-L285 HydrophobicContact CD1-CD2 3.72Å; I273-L285 HydrophobicContact CD1-CG 4.17Å; I273-L285 HydrophobicContact CG2-CD2 4.41Å; A281-L285 HydrophobicContact CB-CB 4.3Å; A281-L285 HydrophobicContact CB-CD2 4.37Å; G282-L285 WeakPolarHBondContact O-CB 3.46Å; G282-L285 PolarHBondContact O-N 3.24Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.38Å; L285-S287 PolarHBondContact O-N 3.08Å; L285-R288 PolarHBondContact O-N 3.39Å; L285-R288 VanDerWaalsContact O-N 3.08Å; L285-F289 HydrophobicContact CD1-CD1 4.3Å; L285-F289 HydrophobicContact CD1-CE1 3.57Å; L285-F289 HydrophobicContact CD1-CZ 4.45Å; L285-F289 HydrophobicContact CD2-CE1 4.42Å; L285-F289 HydrophobicContact CG-CE1 3.75Å; L285-F289 HydrophobicContact CG-CZ 4.29Å; L285-F289 PolarHBondContact O-N 2.87Å
286	L	87.8	Confident	82.8	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-19.3	-178.8	-53.9	-176.4	0	0	0	113.7	I273 F276 L283 L284 R288 F289 Q290 P291 I294 L324 I326	I273-L286 HydrophobicContact CD1-CD2 3.81Å; F276-L286 HydrophobicContact CE2-CD1 4.34Å; F276-L286 HydrophobicContact CE2-CD2 4.3Å; F276-L286 HydrophobicContact CE2-CG 4.29Å; F276-L286 HydrophobicContact CZ-CD1 3.99Å; F276-L286 HydrophobicContact CZ-CG 4.34Å; L283-L286 HydrophobicContact CD2-CD1 4.1Å; L283-L286 PolarHBondContact O-N 2.63Å; L284-L286 VanDerWaalsContact C-N 3.29Å; L284-L286 PolarHBondContact O-N 3.5Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.41Å; L286-F289 CarbonylContact C-O 3.52Å; L286-F289 WeakPolarHBondContact CA-O 3.21Å; L286-Q290 PolarHBondContact O-NE2 2.9Å; L286-P291 HydrophobicContact CD2-CG 4.19Å; L286-I294 HydrophobicContact CD1-CD1 3.69Å; L286-I294 HydrophobicContact CD2-CD1 3.64Å; L286-I294 HydrophobicContact CD2-CG1 4.49Å; L286-I294 HydrophobicContact CG-CD1 4.3Å; L286-L324 HydrophobicContact CB-CD1 4.21Å; L286-L324 HydrophobicContact CD1-CD1 4.38Å; L286-I326 HydrophobicContact CD2-CD1 4.36Å
287	S	84.6	Confident	82.9	Confident	80 Å²	80	46.2 Å²	46.2	56%	0.559	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21	174.5	75.5	0	0	0	0	113	L283 L284 L285	L283-S287 PolarHBondContact O-N 3.3Å; L284-S287 WeakPolarHBondContact O-CB 3.44Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 2.69Å; L285-S287 PolarHBondContact O-N 3.08Å
288	R	82.6	Confident	83.2	Confident	148 Å²	148	49.3 Å²	49.3	56%	0.558	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-34.3	-174.6	-59.5	-165	174.7	-150.9	2.1	113.5	F254 L285 L286	F254-R288 HydrophobicContact CD1-CB 4.37Å; F254-R288 HydrophobicContact CE1-CB 3.33Å; F254-R288 HydrophobicContact CE1-CG 3.99Å; F254-R288 HydrophobicContact CZ-CB 3.63Å; F254-R288 HydrophobicContact CZ-CG 4.22Å; L285-R288 PolarHBondContact O-N 3.39Å; L285-R288 VanDerWaalsContact O-N 3.08Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.41Å
289	F	86.3	Confident	84	Confident	13 Å²	13	53.3 Å²	53.3	6%	0.057	28%	0.275	C	S	.	.			trans	-144.7	149.4	166.8	80	-86.6	0	0	0	110.2	F254 F257 I261 V271 I273 L285 L286 P291	F254-F289 AromaticContact CZ-CD1 3.99Å; F254-F289 HydrophobicContact CZ-CD1 3.99Å; F254-F289 HydrophobicContact CZ-CE1 4.34Å; F257-F289 HydrophobicContact CE1-CD1 4.47Å; F257-F289 AromaticContact CE1-CE1 3.9Å; F257-F289 HydrophobicContact CE1-CE1 3.9Å; F257-F289 HydrophobicContact CE1-CZ 4.14Å; I261-F289 HydrophobicContact CG2-CD2 4.16Å; V271-F289 HydrophobicContact CG1-CE2 4.38Å; I273-F289 HydrophobicContact CD1-CE2 4.01Å; I273-F289 HydrophobicContact CD1-CZ 3.65Å; I273-F289 HydrophobicContact CG1-CE2 4.19Å; I273-F289 HydrophobicContact CG1-CZ 3.94Å; L285-F289 HydrophobicContact CD1-CD1 4.3Å; L285-F289 HydrophobicContact CD1-CE1 3.57Å; L285-F289 HydrophobicContact CD1-CZ 4.45Å; L285-F289 HydrophobicContact CD2-CE1 4.42Å; L285-F289 HydrophobicContact CG-CE1 3.75Å; L285-F289 HydrophobicContact CG-CZ 4.29Å; L285-F289 PolarHBondContact O-N 2.87Å; L286-F289 CarbonylContact C-O 3.52Å; L286-F289 WeakPolarHBondContact CA-O 3.21Å; F289-P291 HydrophobicContact CE2-CB 4.17Å
290	Q	90	Very high	85.1	Confident	90 Å²	90	53.2 Å²	53.2	42%	0.421	27%	0.269	S	S	.	.			trans	-108.5	109.4	178	-64.2	76.4	45.7	0	0	109	K265 L286 I326	K265-Q290 PolarHBondContact NZ-O 3.28Å; L286-Q290 PolarHBondContact O-NE2 2.9Å; Q290-I326 HydrophobicContact CB-CD1 4.35Å
291	P	94.4	Very high	86.5	Confident	3 Å²	3	45 Å²	45	2%	0.019	23%	0.233	C	C	.	.			trans	-67.6	165.4	171	34.2	-39.3	0	0	0	110.1	V271 I273 L286 F289 R293 I294 I326	V271-P291 HydrophobicContact CG1-CB 4.27Å; V271-P291 WeakPolarHBondContact O-CB 3.18Å; I273-P291 HydrophobicContact CD1-CB 4.29Å; I273-P291 HydrophobicContact CD1-CG 3.68Å; I273-P291 HydrophobicContact CG1-CB 4.05Å; I273-P291 HydrophobicContact CG1-CG 3.91Å; L286-P291 HydrophobicContact CD2-CG 4.19Å; F289-P291 HydrophobicContact CE2-CB 4.17Å; P291-R293 VanDerWaalsContact C-N 3.31Å; P291-R293 WeakPolarHBondContact CB-O 3.31Å; P291-I294 HydrophobicContact CG-CD1 4.39Å; P291-I294 HydrophobicContact CG-CG1 3.94Å; P291-I326 HydrophobicContact CG-CD1 4.36Å; P291-I326 HydrophobicContact CG-CG2 4.21Å
292	D	95.5	Very high	87.9	Confident	51 Å²	51	45.6 Å²	45.6	27%	0.273	23%	0.233	S	C	.	.	S	Bend	trans	-78.7	-24	171.9	-52.1	-68.5	0	0	0	110.8	K265 S270 V271 Q327	K265-D292 WeakPolarHBondContact CE-OD1 3.27Å; K265-D292 WeakPolarHBondContact CE-OD2 3.39Å; K265-D292 IonicContact NZ-OD1 2.92Å; K265-D292 PolarHBondContact NZ-OD1 2.79Å; K265-D292 IonicContact NZ-OD2 3.55Å; S270-D292 WeakPolarHBondContact CA-OD2 3.15Å; V271-D292 PolarHBondContact N-OD2 2.62Å; V271-D292 PolarHBondContact O-N 2.92Å; D292-Q327 WeakPolarHBondContact O-CB 3.33Å; D292-Q327 PolarHBondContact O-N 3.44Å; D292-Q327 VanDerWaalsContact O-N 3.09Å
293	R	94.2	Very high	88.7	Confident	16 Å²	16	47.3 Å²	47.3	6%	0.06	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150.9	179.6	-177.1	176.4	-62	-159.7	-1.9	114	V271 A272 I273 P291 Q327 M349	V271-R293 PolarHBondContact O-N 3.02Å; A272-R293 CarbonylContact C-O 3.57Å; A272-R293 WeakPolarHBondContact CA-O 3.37Å; A272-R293 HydrophobicContact CB-CB 3.95Å; A272-R293 HydrophobicContact CB-CG 4.46Å; I273-R293 PolarHBondContact N-O 3.39Å; P291-R293 VanDerWaalsContact C-N 3.31Å; P291-R293 WeakPolarHBondContact CB-O 3.31Å; R293-Q327 CarbonylContact C-O 3.54Å; R293-Q327 VanDerWaalsContact CA-O 3.28Å; R293-Q327 WeakPolarHBondContact CA-O 3.42Å; R293-Q327 HydrophobicContact CB-CB 4.33Å; R293-Q327 HydrophobicContact CG-CB 4.35Å; R293-M349 PolarHBondContact NH1-SD 3.18Å; R293-M349 PolarHBondContact NH2-SD 2.97Å
294	I	93.5	Very high	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	167.5	-74.1	169.6	0	0	0	109.4	I273 F276 L286 P291 I326 Q327 V328 S329	I273-I294 HydrophobicContact CB-CG1 4.4Å; F276-I294 HydrophobicContact CB-CG2 3.4Å; F276-I294 HydrophobicContact CD1-CG2 3.79Å; F276-I294 HydrophobicContact CD2-CD1 4.42Å; F276-I294 HydrophobicContact CD2-CG2 4.07Å; F276-I294 HydrophobicContact CE2-CD1 4.31Å; F276-I294 HydrophobicContact CG-CG2 3.48Å; F276-I294 VanDerWaalsContact CG-CG2 3.48Å; F276-I294 HydrophobicContact CZ-CD1 4.48Å; L286-I294 HydrophobicContact CD1-CD1 3.69Å; L286-I294 HydrophobicContact CD2-CD1 3.64Å; L286-I294 HydrophobicContact CD2-CG1 4.49Å; L286-I294 HydrophobicContact CG-CD1 4.3Å; P291-I294 HydrophobicContact CG-CD1 4.39Å; P291-I294 HydrophobicContact CG-CG1 3.94Å; I294-I326 HydrophobicContact CB-CG2 4.37Å; I294-I326 HydrophobicContact CD1-CD1 4.42Å; I294-I326 HydrophobicContact CD1-CG2 3.88Å; I294-I326 HydrophobicContact CG1-CG2 3.87Å; I294-Q327 PolarHBondContact N-O 2.87Å; I294-V328 WeakPolarHBondContact O-CA 3.14Å; I294-S329 PolarHBondContact O-N 3.36Å; I294-S329 PolarHBondContact O-OG 3.2Å
295	K	92.1	Very high	89.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.7	174	-53.5	171.6	78.5	-153.1	0	108.8	E160 E244 I273 D274 H275 F276 S329 M331	E160-K295 VanDerWaalsContact CD-NZ 3.32Å; E160-K295 IonicContact OE1-NZ 3.84Å; E160-K295 IonicContact OE2-NZ 3.46Å; E160-K295 PolarHBondContact OE2-NZ 3.17Å; E244-K295 VanDerWaalsContact CD-CD 3.49Å; E244-K295 HydrophobicContact CG-CD 4.31Å; E244-K295 WeakPolarHBondContact OE1-CD 3.45Å; E244-K295 WeakPolarHBondContact OE1-CE 3.4Å; E244-K295 IonicContact OE1-NZ 3.12Å; E244-K295 PolarHBondContact OE1-NZ 3.28Å; E244-K295 WeakPolarHBondContact OE2-CD 3.42Å; E244-K295 IonicContact OE2-NZ 3.96Å; E244-K295 PolarHBondContact OE2-NZ 3.24Å; I273-K295 PolarHBondContact O-N 2.91Å; D274-K295 HydrophobicContact CB-CD 4.27Å; D274-K295 WeakPolarHBondContact OD1-CB 3.43Å; D274-K295 WeakPolarHBondContact OD1-CD 3.3Å; D274-K295 IonicContact OD1-NZ 2.63Å; D274-K295 PolarHBondContact OD1-NZ 3.08Å; D274-K295 IonicContact OD2-NZ 2.68Å; H275-K295 PolarHBondContact N-O 3.47Å; F276-K295 WeakPolarHBondContact CB-O 3.4Å; F276-K295 PolarHBondContact N-O 2.93Å; K295-S329 CarbonylContact C-O 3.48Å; K295-S329 WeakPolarHBondContact CA-O 3.17Å; K295-S329 WeakPolarHBondContact CG-OG 3.33Å; K295-M331 HydrophobicContact CB-CG 3.75Å; K295-M331 HydrophobicContact CB-SD 3.86Å; K295-M331 HydrophobicContact CD-SD 3.99Å; K295-M331 WeakPolarHBondContact CE-SD 3.43Å; K295-M331 HydrophobicContact CG-SD 4.42Å; K295-M331 PolarHBondContact NZ-SD 3.2Å
296	I	92.5	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.6	178.3	-60.7	-178.9	0	0	0	108.9	L300 I301 I314 I317 V328 S329 M331 I347	I296-L300 HydrophobicContact CG2-CB 3.97Å; I296-L300 HydrophobicContact CG2-CD1 4.23Å; I296-I301 HydrophobicContact CB-CD1 4.23Å; I296-I301 HydrophobicContact CG2-CD1 4.08Å; I296-I301 HydrophobicContact CG2-CG1 4.05Å; I296-I301 WeakPolarHBondContact O-CD1 3.45Å; I296-I314 HydrophobicContact CD1-CG1 4.41Å; I296-I314 HydrophobicContact CD1-CG2 4Å; I296-I314 HydrophobicContact CG2-CG1 4.36Å; I296-I317 HydrophobicContact CD1-CG2 4.19Å; I296-I317 HydrophobicContact CG1-CG2 4.41Å; I296-V328 HydrophobicContact CD1-CG1 3.59Å; I296-V328 HydrophobicContact CG1-CG1 3.85Å; I296-S329 PolarHBondContact N-O 3.44Å; I296-M331 PolarHBondContact O-N 3.43Å; I296-M331 VanDerWaalsContact O-N 3.12Å; I296-I347 HydrophobicContact CD1-CD1 3.87Å
297	S	89.2	Confident	90.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	20%	0.198	C	C	.	.			trans	-64.7	147.7	-178.4	76.5	0	0	0	0	112.6	F276 E299 L300 I301	F276-S297 PolarHBondContact O-N 2.95Å; F276-S297 VanDerWaalsContact O-N 3.07Å; S297-E299 PolarHBondContact O-N 3.42Å; S297-L300 PolarHBondContact O-N 3.48Å; S297-I301 PolarHBondContact O-N 2.93Å
298	Q	86.4	Confident	91.2	Very high	97 Å²	97	36.4 Å²	36.4	45%	0.453	18%	0.176	S	C	.	.	H	α-helix	trans	-54.8	-33.5	171.6	-174.4	178.5	20.8	0	0	111.9	L300 I301 T302 M331 G332	Q298-L300 PolarHBondContact O-N 3.4Å; Q298-I301 PolarHBondContact O-N 3.38Å; Q298-T302 PolarHBondContact O-N 2.91Å; Q298-T302 PolarHBondContact O-OG1 3.32Å; Q298-M331 WeakPolarHBondContact CA-O 3.34Å; Q298-G332 PolarHBondContact NE2-O 2.96Å
299	E	85.4	Confident	91.8	Very high	129 Å²	129	32.3 Å²	32.3	60%	0.603	17%	0.168	S	C	*	.	H	α-helix	trans	-58.9	-32.7	178.8	-171.3	175.4	-178	0	0	112.6	S297 R310	S297-E299 PolarHBondContact O-N 3.42Å; E299-R310 PolarHBondContact O-NH1 2.92Å; E299-R310 PolarHBondContact O-NH2 3.18Å
300	L	89.8	Confident	92.2	Very high	20 Å²	20	35 Å²	35	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-83.6	-29.9	172.5	-77	177.4	0	0	0	113.2	I296 S297 Q298 R310 I313 I314 I317	I296-L300 HydrophobicContact CG2-CB 3.97Å; I296-L300 HydrophobicContact CG2-CD1 4.23Å; S297-L300 PolarHBondContact O-N 3.48Å; Q298-L300 PolarHBondContact O-N 3.4Å; L300-R310 WeakPolarHBondContact O-CD 3.47Å; L300-I313 HydrophobicContact CD1-CG2 4.03Å; L300-I313 HydrophobicContact CD2-CD1 4.38Å; L300-I313 HydrophobicContact CD2-CG2 4.01Å; L300-I314 HydrophobicContact CB-CD1 4.29Å; L300-I314 HydrophobicContact CB-CG1 4.45Å; L300-I317 HydrophobicContact CD1-CD1 4.01Å
301	I	90.8	Very high	92.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-76.8	-37.9	-175.8	-74.7	159.4	0	0	0	112.9	I296 S297 Q298 N303 V304 A330 M331 V333 E338 L342	I296-I301 HydrophobicContact CB-CD1 4.23Å; I296-I301 HydrophobicContact CG2-CD1 4.08Å; I296-I301 HydrophobicContact CG2-CG1 4.05Å; I296-I301 WeakPolarHBondContact O-CD1 3.45Å; S297-I301 PolarHBondContact O-N 2.93Å; Q298-I301 PolarHBondContact O-N 3.38Å; I301-N303 PolarHBondContact O-N 3.22Å; I301-V304 VanDerWaalsContact O-CB 3.24Å; I301-V304 WeakPolarHBondContact O-CB 3.49Å; I301-V304 WeakPolarHBondContact O-CG1 3.42Å; I301-V304 PolarHBondContact O-N 2.76Å; I301-A330 HydrophobicContact CD1-CB 3.55Å; I301-A330 HydrophobicContact CG1-CB 4.42Å; I301-M331 VanDerWaalsContact CD1-N 3.29Å; I301-M331 WeakPolarHBondContact CD1-O 3.34Å; I301-V333 HydrophobicContact CG2-CG2 4.24Å; I301-E338 HydrophobicContact CG2-CB 4.33Å; I301-E338 HydrophobicContact CG2-CG 4.41Å; I301-L342 HydrophobicContact CG1-CD1 4.18Å; I301-L342 HydrophobicContact CG1-CD2 4.24Å; I301-L342 HydrophobicContact CG2-CD1 3.93Å
302	T	89	Confident	92.4	Very high	50 Å²	50	34.3 Å²	34.3	31%	0.307	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	124.3	-175.3	-64.2	0	0	0	0	111.1	Q298 V304 R310 E338	Q298-T302 PolarHBondContact O-N 2.91Å; Q298-T302 PolarHBondContact O-OG1 3.32Å; T302-V304 PolarHBondContact O-N 3.14Å; T302-V304 VanDerWaalsContact O-N 3.09Å; T302-R310 WeakPolarHBondContact O-CD 3.48Å; T302-R310 PolarHBondContact O-NH1 3.45Å; T302-E338 WeakPolarHBondContact CA-OE1 3.21Å
303	N	92.4	Very high	92.3	Very high	58 Å²	58	35.8 Å²	35.8	31%	0.31	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	26.1	-177.5	-60.3	-52.9	0	0	0	115.3	I301 H305 K306 S307 E338	I301-N303 PolarHBondContact O-N 3.22Å; N303-H305 PolarHBondContact O-N 2.77Å; N303-K306 PolarHBondContact O-N 2.7Å; N303-S307 PolarHBondContact O-N 3.45Å; N303-E338 PolarHBondContact N-OE1 2.73Å
304	V	93.9	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.5	-37	-179.7	64.2	0	0	0	0	112.3	I301 T302 K306 S307 R310 Q311 I314 E338 W341 L342	I301-V304 VanDerWaalsContact O-CB 3.24Å; I301-V304 WeakPolarHBondContact O-CB 3.49Å; I301-V304 WeakPolarHBondContact O-CG1 3.42Å; I301-V304 PolarHBondContact O-N 2.76Å; T302-V304 PolarHBondContact O-N 3.14Å; T302-V304 VanDerWaalsContact O-N 3.09Å; V304-K306 PolarHBondContact O-N 3.43Å; V304-S307 PolarHBondContact O-N 3.3Å; V304-S307 VanDerWaalsContact O-N 3.17Å; V304-R310 HydrophobicContact CG2-CB 4.13Å; V304-Q311 HydrophobicContact CG2-CG 4.03Å; V304-Q311 WeakPolarHBondContact O-CG 3.34Å; V304-Q311 PolarHBondContact O-NE2 3.06Å; V304-I314 HydrophobicContact CB-CD1 4.25Å; V304-I314 HydrophobicContact CG2-CD1 3.59Å; V304-E338 HydrophobicContact CG1-CB 4.43Å; V304-E338 HydrophobicContact CG1-CG 4.28Å; V304-W341 HydrophobicContact CB-CE3 4.28Å; V304-W341 HydrophobicContact CG1-CB 4.34Å; V304-W341 HydrophobicContact CG1-CD2 4.18Å; V304-W341 HydrophobicContact CG1-CE3 3.75Å; V304-W341 HydrophobicContact CG1-CG 4.4Å; V304-W341 HydrophobicContact CG1-CZ3 4.5Å; V304-W341 HydrophobicContact CG2-CD2 3.92Å; V304-W341 HydrophobicContact CG2-CE3 3.46Å; V304-W341 VanDerWaalsContact CG2-CE3 3.46Å; V304-W341 HydrophobicContact CG2-CH2 3.97Å; V304-W341 HydrophobicContact CG2-CZ2 4.4Å; V304-W341 HydrophobicContact CG2-CZ3 3.48Å; V304-W341 VanDerWaalsContact CG2-CZ3 3.48Å; V304-L342 HydrophobicContact CG1-CD2 4.35Å; V304-L342 HydrophobicContact CG1-CG 4.24Å
305	H	92	Very high	92.3	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.074	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60.8	-10.3	176.8	62.2	-81.7	0	0	0	114.1	I113 N303 Q311 E337 W341	I113-H305 HydrophobicContact CD1-CB 4.19Å; N303-H305 PolarHBondContact O-N 2.77Å; H305-Q311 PolarHBondContact O-NE2 3.22Å; H305-E337 HydrophobicContact CB-CB 4.31Å; H305-W341 HydrophobicContact CB-CB 4.03Å; H305-W341 HydrophobicContact CB-CG 4.32Å
306	K	94.4	Very high	92.3	Very high	36 Å²	36	39.9 Å²	39.9	16%	0.157	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-117.2	-9.6	179.1	-67	173.5	178.6	172.9	0	114.7	V44 E45 N303 V304	V44-K306 CarbonylContact C-O 3.6Å; V44-K306 WeakPolarHBondContact CA-O 3.28Å; E45-K306 PolarHBondContact N-O 3.46Å; N303-K306 PolarHBondContact O-N 2.7Å; V304-K306 PolarHBondContact O-N 3.43Å
307	S	96.1	Very high	92.3	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-117.2	103.3	-169.6	-179.7	0	0	0	0	111.6	N303 V304 P309 R310 Q311	N303-S307 PolarHBondContact O-N 3.45Å; V304-S307 PolarHBondContact O-N 3.3Å; V304-S307 VanDerWaalsContact O-N 3.17Å; S307-P309 VanDerWaalsContact C-N 3.32Å; S307-R310 PolarHBondContact O-N 2.92Å; S307-R310 WeakPolarHBondContact OG-CG 3.37Å; S307-Q311 VanDerWaalsContact O-CG 3.26Å; S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.17Å
308	G	94.8	Very high	92.4	Very high	10 Å²	10	41.3 Å²	41.3	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-52.5	-43.3	176.4	0	0	0	0	0	113.6	E45 Q311 A312	E45-G308 WeakPolarHBondContact O-CA 3.48Å; E45-G308 PolarHBondContact O-N 3.17Å; G308-Q311 PolarHBondContact O-N 3.02Å; G308-A312 WeakPolarHBondContact O-CB 3.46Å; G308-A312 PolarHBondContact O-N 3.18Å
309	P	94.5	Very high	92.6	Very high	61 Å²	61	44.2 Å²	44.2	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-46.2	173.3	-28	36.1	0	0	0	114	E45 S307 A312 I313	E45-P309 WeakPolarHBondContact O-CD 3.38Å; S307-P309 VanDerWaalsContact C-N 3.32Å; P309-A312 PolarHBondContact O-N 3.1Å; P309-I313 WeakPolarHBondContact O-CD1 3.12Å; P309-I313 VanDerWaalsContact O-CG1 3.26Å; P309-I313 WeakPolarHBondContact O-CG1 3.26Å; P309-I313 PolarHBondContact O-N 3.23Å
310	R	95.1	Very high	93	Very high	71 Å²	71	39.7 Å²	39.7	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-42.2	178.7	-66.5	175.2	-177	-122.9	-15	111.2	E299 L300 T302 V304 S307 A312 I313 I314	E299-R310 PolarHBondContact O-NH1 2.92Å; E299-R310 PolarHBondContact O-NH2 3.18Å; L300-R310 WeakPolarHBondContact O-CD 3.47Å; T302-R310 WeakPolarHBondContact O-CD 3.48Å; T302-R310 PolarHBondContact O-NH1 3.45Å; V304-R310 HydrophobicContact CG2-CB 4.13Å; S307-R310 PolarHBondContact O-N 2.92Å; S307-R310 WeakPolarHBondContact OG-CG 3.37Å; R310-A312 PolarHBondContact O-N 3.34Å; R310-I313 PolarHBondContact O-N 2.95Å; R310-I314 WeakPolarHBondContact O-CB 3.46Å; R310-I314 WeakPolarHBondContact O-CG1 3.49Å; R310-I314 PolarHBondContact O-N 3.45Å
311	Q	95.9	Very high	93.1	Very high	20 Å²	20	38.8 Å²	38.8	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-50.1	175.7	-67.4	-178.5	6.9	0	0	111.4	V304 H305 S307 G308 I313 I314 Q315 W341	V304-Q311 HydrophobicContact CG2-CG 4.03Å; V304-Q311 WeakPolarHBondContact O-CG 3.34Å; V304-Q311 PolarHBondContact O-NE2 3.06Å; H305-Q311 PolarHBondContact O-NE2 3.22Å; S307-Q311 VanDerWaalsContact O-CG 3.26Å; S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.17Å; G308-Q311 PolarHBondContact O-N 3.02Å; Q311-I313 PolarHBondContact O-N 3.26Å; Q311-I314 PolarHBondContact O-N 3.2Å; Q311-Q315 WeakPolarHBondContact O-CB 3.34Å; Q311-Q315 VanDerWaalsContact O-CG 3.28Å; Q311-Q315 WeakPolarHBondContact O-CG 3.41Å; Q311-Q315 PolarHBondContact O-N 2.98Å; Q311-W341 HydrophobicContact CB-CH2 3.95Å; Q311-W341 HydrophobicContact CB-CZ2 3.42Å; Q311-W341 VanDerWaalsContact CB-CZ2 3.42Å; Q311-W341 HydrophobicContact CG-CD2 4.4Å; Q311-W341 VanDerWaalsContact CG-CE2 3.5Å; Q311-W341 HydrophobicContact CG-CH2 4.05Å; Q311-W341 HydrophobicContact CG-CZ2 3.32Å
312	A	93.7	Very high	93.1	Very high	58 Å²	58	43.5 Å²	43.5	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-41.8	179.7	0	0	0	0	0	112.3	G308 P309 R310 A316	G308-A312 WeakPolarHBondContact O-CB 3.46Å; G308-A312 PolarHBondContact O-N 3.18Å; P309-A312 PolarHBondContact O-N 3.1Å; R310-A312 PolarHBondContact O-N 3.34Å; A312-A316 WeakPolarHBondContact O-CB 3.24Å; A312-A316 PolarHBondContact O-N 2.79Å
313	I	93.3	Very high	93.3	Very high	81 Å²	81	45.6 Å²	45.6	42%	0.415	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-49.6	177.4	-69.2	164.9	0	0	0	110.5	L300 P309 R310 Q311 Q315 A316 I317	L300-I313 HydrophobicContact CD1-CG2 4.03Å; L300-I313 HydrophobicContact CD2-CD1 4.38Å; L300-I313 HydrophobicContact CD2-CG2 4.01Å; P309-I313 WeakPolarHBondContact O-CD1 3.12Å; P309-I313 VanDerWaalsContact O-CG1 3.26Å; P309-I313 WeakPolarHBondContact O-CG1 3.26Å; P309-I313 PolarHBondContact O-N 3.23Å; R310-I313 PolarHBondContact O-N 2.95Å; Q311-I313 PolarHBondContact O-N 3.26Å; I313-Q315 PolarHBondContact O-N 3.11Å; I313-A316 WeakPolarHBondContact O-CB 3.44Å; I313-A316 PolarHBondContact O-N 3.17Å; I313-I317 HydrophobicContact CG2-CD1 3.86Å; I313-I317 HydrophobicContact CG2-CG1 4.49Å; I313-I317 WeakPolarHBondContact O-CG1 3.18Å; I313-I317 PolarHBondContact O-N 2.62Å
314	I	94.2	Very high	93.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-42.2	-178.7	-71.8	166	0	0	0	111	I296 L300 V304 R310 Q311 A316 I317 I318 W341 L342 I347	I296-I314 HydrophobicContact CD1-CG1 4.41Å; I296-I314 HydrophobicContact CD1-CG2 4Å; I296-I314 HydrophobicContact CG2-CG1 4.36Å; L300-I314 HydrophobicContact CB-CD1 4.29Å; L300-I314 HydrophobicContact CB-CG1 4.45Å; V304-I314 HydrophobicContact CB-CD1 4.25Å; V304-I314 HydrophobicContact CG2-CD1 3.59Å; R310-I314 WeakPolarHBondContact O-CB 3.46Å; R310-I314 WeakPolarHBondContact O-CG1 3.49Å; R310-I314 PolarHBondContact O-N 3.45Å; Q311-I314 PolarHBondContact O-N 3.2Å; I314-A316 VanDerWaalsContact C-N 3.31Å; I314-A316 PolarHBondContact O-N 3.01Å; I314-I317 WeakPolarHBondContact O-CB 3.34Å; I314-I317 PolarHBondContact O-N 2.9Å; I314-I317 VanDerWaalsContact O-N 3.17Å; I314-I318 HydrophobicContact CG2-CD1 3.76Å; I314-I318 HydrophobicContact CG2-CG1 4.27Å; I314-I318 VanDerWaalsContact O-CG1 3.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.04Å; I314-I318 PolarHBondContact O-N 2.85Å; I314-W341 HydrophobicContact CB-CH2 4.25Å; I314-W341 HydrophobicContact CB-CZ3 4.14Å; I314-W341 HydrophobicContact CD1-CZ3 4.44Å; I314-W341 HydrophobicContact CG2-CH2 4.18Å; I314-W341 HydrophobicContact CG2-CZ3 3.78Å; I314-L342 HydrophobicContact CD1-CD2 4.26Å; I314-L342 HydrophobicContact CG2-CD2 4.32Å; I314-I347 HydrophobicContact CG2-CD1 4.27Å
315	Q	93.3	Very high	93.3	Very high	44 Å²	44	55.1 Å²	55.1	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-39.4	174.9	-74.5	171.3	-3.3	0	0	112.3	Q311 I313 I318 K319 W341	Q311-Q315 WeakPolarHBondContact O-CB 3.34Å; Q311-Q315 VanDerWaalsContact O-CG 3.28Å; Q311-Q315 WeakPolarHBondContact O-CG 3.41Å; Q311-Q315 PolarHBondContact O-N 2.98Å; I313-Q315 PolarHBondContact O-N 3.11Å; Q315-I318 PolarHBondContact O-N 3.09Å; Q315-K319 WeakPolarHBondContact O-CB 3.32Å; Q315-K319 PolarHBondContact O-N 2.88Å; Q315-W341 HydrophobicContact CG-CH2 4.11Å; Q315-W341 HydrophobicContact CG-CZ2 4.4Å
316	A	92.6	Very high	93.4	Very high	58 Å²	58	54.8 Å²	54.8	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-41	174.8	0	0	0	0	0	112	A312 I313 I314 C320	A312-A316 WeakPolarHBondContact O-CB 3.24Å; A312-A316 PolarHBondContact O-N 2.79Å; I313-A316 WeakPolarHBondContact O-CB 3.44Å; I313-A316 PolarHBondContact O-N 3.17Å; I314-A316 VanDerWaalsContact C-N 3.31Å; I314-A316 PolarHBondContact O-N 3.01Å; A316-C320 WeakPolarHBondContact O-CB 3.22Å; A316-C320 PolarHBondContact O-N 3.49Å
317	I	92.5	Very high	93.3	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-51.8	174.7	-68.4	167.8	0	0	0	110.1	F276 I296 L300 I313 I314 K319 C320 C321	F276-I317 HydrophobicContact CD1-CD1 4.19Å; F276-I317 HydrophobicContact CD1-CG2 4.34Å; F276-I317 HydrophobicContact CE1-CD1 4.21Å; F276-I317 HydrophobicContact CE1-CG1 4.18Å; F276-I317 HydrophobicContact CE1-CG2 4.26Å; I296-I317 HydrophobicContact CD1-CG2 4.19Å; I296-I317 HydrophobicContact CG1-CG2 4.41Å; L300-I317 HydrophobicContact CD1-CD1 4.01Å; I313-I317 HydrophobicContact CG2-CD1 3.86Å; I313-I317 HydrophobicContact CG2-CG1 4.49Å; I313-I317 WeakPolarHBondContact O-CG1 3.18Å; I313-I317 PolarHBondContact O-N 2.62Å; I314-I317 WeakPolarHBondContact O-CB 3.34Å; I314-I317 PolarHBondContact O-N 2.9Å; I314-I317 VanDerWaalsContact O-N 3.17Å; I317-K319 VanDerWaalsContact C-N 3.35Å; I317-K319 PolarHBondContact O-N 3.23Å; I317-C320 WeakPolarHBondContact O-CB 3.21Å; I317-C320 PolarHBondContact O-N 3.35Å; I317-C320 VanDerWaalsContact O-N 3.17Å; I317-C321 WeakPolarHBondContact O-CB 3.36Å; I317-C321 PolarHBondContact O-N 2.76Å; I317-C321 PolarHBondContact O-SG 2.84Å
318	I	90.4	Very high	93.1	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.108	32%	0.318	C	S	.	.	H	α-helix	trans	-55.2	-51.6	179.1	-68.4	167.9	0	0	0	109.9	I314 Q315 C320 C321 T322 A345 I347	I314-I318 HydrophobicContact CG2-CD1 3.76Å; I314-I318 HydrophobicContact CG2-CG1 4.27Å; I314-I318 VanDerWaalsContact O-CG1 3.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.04Å; I314-I318 PolarHBondContact O-N 2.85Å; Q315-I318 PolarHBondContact O-N 3.09Å; I318-C320 VanDerWaalsContact C-N 3.3Å; I318-C320 PolarHBondContact O-N 2.87Å; I318-C321 PolarHBondContact O-N 2.85Å; I318-C321 VanDerWaalsContact O-N 3.15Å; I318-T322 PolarHBondContact O-N 3.06Å; I318-T322 PolarHBondContact O-OG1 3.14Å; I318-A345 HydrophobicContact CD1-CB 3.77Å; I318-A345 WeakPolarHBondContact CD1-O 3.41Å; I318-I347 HydrophobicContact CD1-CD1 4Å; I318-I347 HydrophobicContact CD1-CG1 3.8Å; I318-I347 HydrophobicContact CG1-CD1 4.42Å; I318-I347 HydrophobicContact CG1-CG1 4.2Å
319	K	91.4	Very high	93	Very high	157 Å²	157	57.1 Å²	57.1	68%	0.683	31%	0.314	S	S	*	.	H	α-helix	trans	-59.8	-40	-179.9	-171.9	172.3	-174.8	173.5	0	112.9	Q315 I317 S323	Q315-K319 WeakPolarHBondContact O-CB 3.32Å; Q315-K319 PolarHBondContact O-N 2.88Å; I317-K319 VanDerWaalsContact C-N 3.35Å; I317-K319 PolarHBondContact O-N 3.23Å; K319-S323 WeakPolarHBondContact O-CB 3.36Å; K319-S323 PolarHBondContact O-N 3.31Å; K319-S323 VanDerWaalsContact O-N 3.13Å; K319-S323 PolarHBondContact O-OG 3.14Å
320	C	92.7	Very high	92.8	Very high	34 Å²	34	54.2 Å²	54.2	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-48.2	175.5	-176.8	0	0	0	0	111.1	L283 A316 I317 I318 S323 L324	L283-C320 HydrophobicContact CD2-CB 4.25Å; A316-C320 WeakPolarHBondContact O-CB 3.22Å; A316-C320 PolarHBondContact O-N 3.49Å; I317-C320 WeakPolarHBondContact O-CB 3.21Å; I317-C320 PolarHBondContact O-N 3.35Å; I317-C320 VanDerWaalsContact O-N 3.17Å; I318-C320 VanDerWaalsContact C-N 3.3Å; I318-C320 PolarHBondContact O-N 2.87Å; C320-S323 WeakPolarHBondContact O-CB 3.07Å; C320-S323 PolarHBondContact O-N 3.03Å; C320-S323 VanDerWaalsContact O-N 3.15Å; C320-L324 WeakPolarHBondContact O-CG 3.47Å; C320-L324 PolarHBondContact O-N 2.8Å; C320-L324 VanDerWaalsContact O-N 3.11Å
321	C	91.5	Very high	92.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-43.7	-179.8	-62.5	0	0	0	0	111.7	I317 I318 S323 L324 E325 I326 V328	I317-C321 WeakPolarHBondContact O-CB 3.36Å; I317-C321 PolarHBondContact O-N 2.76Å; I317-C321 PolarHBondContact O-SG 2.84Å; I318-C321 PolarHBondContact O-N 2.85Å; I318-C321 VanDerWaalsContact O-N 3.15Å; C321-S323 VanDerWaalsContact C-N 3.27Å; C321-S323 PolarHBondContact O-N 3.22Å; C321-L324 CarbonylContact O-C 3.59Å; C321-L324 PolarHBondContact O-N 2.75Å; C321-E325 PolarHBondContact O-N 3.31Å; C321-I326 HydrophobicContact CB-CB 4.08Å; C321-I326 WeakPolarHBondContact CB-O 3.5Å; C321-I326 PolarHBondContact O-N 2.83Å; C321-V328 HydrophobicContact CB-CG2 3.38Å
322	T	90.9	Very high	91.6	Very high	100 Å²	100	51.2 Å²	51.2	61%	0.613	29%	0.287	S	S	*	.	H	α-helix	trans	-57.8	-40.8	173.5	-54.5	0	0	0	0	111.6	I318 L324 E325	I318-T322 PolarHBondContact O-N 3.06Å; I318-T322 PolarHBondContact O-OG1 3.14Å; T322-L324 PolarHBondContact O-N 3.36Å; T322-E325 PolarHBondContact O-N 3.41Å
323	S	93.9	Very high	91.1	Very high	94 Å²	94	48.7 Å²	48.7	66%	0.657	27%	0.265	S	S	*	.	H	α-helix	trans	-69.3	-21.7	178.6	-55.5	0	0	0	0	113.2	K319 C320 C321	K319-S323 WeakPolarHBondContact O-CB 3.36Å; K319-S323 PolarHBondContact O-N 3.31Å; K319-S323 VanDerWaalsContact O-N 3.13Å; K319-S323 PolarHBondContact O-OG 3.14Å; C320-S323 WeakPolarHBondContact O-CB 3.07Å; C320-S323 PolarHBondContact O-N 3.03Å; C320-S323 VanDerWaalsContact O-N 3.15Å; C321-S323 VanDerWaalsContact C-N 3.27Å; C321-S323 PolarHBondContact O-N 3.22Å
324	L	92.7	Very high	90.3	Very high	72 Å²	72	46.7 Å²	46.7	38%	0.377	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	3.3	178.3	-65.2	175.4	0	0	0	112.8	L286 C320 C321 T322 I326	L286-L324 HydrophobicContact CB-CD1 4.21Å; L286-L324 HydrophobicContact CD1-CD1 4.38Å; C320-L324 WeakPolarHBondContact O-CG 3.47Å; C320-L324 PolarHBondContact O-N 2.8Å; C320-L324 VanDerWaalsContact O-N 3.11Å; C321-L324 CarbonylContact O-C 3.59Å; C321-L324 PolarHBondContact O-N 2.75Å; T322-L324 PolarHBondContact O-N 3.36Å; L324-I326 HydrophobicContact CB-CD1 3.69Å; L324-I326 HydrophobicContact CB-CG1 3.78Å; L324-I326 HydrophobicContact CD1-CD1 3.91Å; L324-I326 HydrophobicContact CG-CD1 4.47Å; L324-I326 PolarHBondContact O-N 2.86Å
325	E	92.8	Very high	89.6	Confident	185 Å²	185	47.1 Å²	47.1	86%	0.864	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	34.1	-173.5	-58.1	-175.2	173.8	0	0	113.7	C321 T322	C321-E325 PolarHBondContact O-N 3.31Å; T322-E325 PolarHBondContact O-N 3.41Å
326	I	94.1	Very high	89.1	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.051	26%	0.257	C	S	.	.			trans	-95.2	131.2	177.4	-58.1	173.8	0	0	0	109.3	L286 Q290 P291 I294 C321 L324	L286-I326 HydrophobicContact CD2-CD1 4.36Å; Q290-I326 HydrophobicContact CB-CD1 4.35Å; P291-I326 HydrophobicContact CG-CD1 4.36Å; P291-I326 HydrophobicContact CG-CG2 4.21Å; I294-I326 HydrophobicContact CB-CG2 4.37Å; I294-I326 HydrophobicContact CD1-CD1 4.42Å; I294-I326 HydrophobicContact CD1-CG2 3.88Å; I294-I326 HydrophobicContact CG1-CG2 3.87Å; C321-I326 HydrophobicContact CB-CB 4.08Å; C321-I326 WeakPolarHBondContact CB-O 3.5Å; C321-I326 PolarHBondContact O-N 2.83Å; L324-I326 HydrophobicContact CB-CD1 3.69Å; L324-I326 HydrophobicContact CB-CG1 3.78Å; L324-I326 HydrophobicContact CD1-CD1 3.91Å; L324-I326 HydrophobicContact CG-CD1 4.47Å; L324-I326 PolarHBondContact O-N 2.86Å
327	Q	92.2	Very high	88.8	Confident	100 Å²	100	43.7 Å²	43.7	47%	0.467	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145	175	-63.7	-177.4	-7.9	0	0	111.5	D292 R293 I294 M349	D292-Q327 WeakPolarHBondContact O-CB 3.33Å; D292-Q327 PolarHBondContact O-N 3.44Å; D292-Q327 VanDerWaalsContact O-N 3.09Å; R293-Q327 CarbonylContact C-O 3.54Å; R293-Q327 VanDerWaalsContact CA-O 3.28Å; R293-Q327 WeakPolarHBondContact CA-O 3.42Å; R293-Q327 HydrophobicContact CB-CB 4.33Å; R293-Q327 HydrophobicContact CG-CB 4.35Å; I294-Q327 PolarHBondContact N-O 2.87Å; Q327-M349 HydrophobicContact CB-CE 3.94Å
328	V	92.3	Very high	88.7	Confident	19 Å²	19	43.3 Å²	43.3	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134	179	-175.6	0	0	0	0	109.9	I294 I296 C321 I347	I294-V328 WeakPolarHBondContact O-CA 3.14Å; I296-V328 HydrophobicContact CD1-CG1 3.59Å; I296-V328 HydrophobicContact CG1-CG1 3.85Å; C321-V328 HydrophobicContact CB-CG2 3.38Å; V328-I347 HydrophobicContact CG1-CD1 4.14Å; V328-I347 HydrophobicContact CG1-CG1 4.11Å
329	S	92.3	Very high	88.5	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.1	170.3	52.9	0	0	0	0	111.1	I294 K295 I296 M349	I294-S329 PolarHBondContact O-N 3.36Å; I294-S329 PolarHBondContact O-OG 3.2Å; K295-S329 CarbonylContact C-O 3.48Å; K295-S329 WeakPolarHBondContact CA-O 3.17Å; K295-S329 WeakPolarHBondContact CG-OG 3.33Å; I296-S329 PolarHBondContact N-O 3.44Å; S329-M349 CarbonylContact C-O 3.59Å; S329-M349 VanDerWaalsContact CA-O 3.27Å; S329-M349 WeakPolarHBondContact CA-O 3.26Å; S329-M349 WeakPolarHBondContact CB-O 3.43Å
330	A	90.9	Very high	88.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130	179.7	0	0	0	0	0	111.2	I301 V333 L342 I347 M349 F350 Q351	I301-A330 HydrophobicContact CD1-CB 3.55Å; I301-A330 HydrophobicContact CG1-CB 4.42Å; A330-V333 HydrophobicContact CB-CG2 3.82Å; A330-L342 HydrophobicContact CB-CD1 3.78Å; A330-I347 HydrophobicContact CB-CD1 4.37Å; A330-I347 HydrophobicContact CB-CG2 4.03Å; A330-M349 PolarHBondContact N-O 2.87Å; A330-F350 HydrophobicContact CB-CD1 3.97Å; A330-F350 HydrophobicContact CB-CE1 4.21Å; A330-Q351 PolarHBondContact O-N 3.04Å
331	M	84.3	Confident	88.3	Confident	16 Å²	16	34.6 Å²	34.6	8%	0.079	19%	0.194	C	C	.	.			trans	-107.2	153	178.6	-53.9	-147.7	-48.4	0	0	114.1	D274 H275 K295 I296 Q298 I301 V333 Q351	D274-M331 WeakPolarHBondContact OD1-CE 3.39Å; H275-M331 WeakPolarHBondContact CE1-CE 3.43Å; H275-M331 WeakPolarHBondContact ND1-CE 3.43Å; K295-M331 HydrophobicContact CB-CG 3.75Å; K295-M331 HydrophobicContact CB-SD 3.86Å; K295-M331 HydrophobicContact CD-SD 3.99Å; K295-M331 WeakPolarHBondContact CE-SD 3.43Å; K295-M331 HydrophobicContact CG-SD 4.42Å; K295-M331 PolarHBondContact NZ-SD 3.2Å; I296-M331 PolarHBondContact O-N 3.43Å; I296-M331 VanDerWaalsContact O-N 3.12Å; Q298-M331 WeakPolarHBondContact CA-O 3.34Å; I301-M331 VanDerWaalsContact CD1-N 3.29Å; I301-M331 WeakPolarHBondContact CD1-O 3.34Å; M331-V333 PolarHBondContact O-N 3.36Å; M331-Q351 CarbonylContact C-O 3.43Å; M331-Q351 VanDerWaalsContact C-O 3.25Å; M331-Q351 VanDerWaalsContact CA-O 3.28Å; M331-Q351 WeakPolarHBondContact CA-O 3.4Å
332	G	80.6	Confident	88.3	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	62.2	30.8	178	0	0	0	0	0	112.9	Q298 A334 Q351	Q298-G332 PolarHBondContact NE2-O 2.96Å; G332-A334 PolarHBondContact O-N 3.01Å; G332-A334 VanDerWaalsContact O-N 3.16Å; G332-Q351 PolarHBondContact N-O 3.05Å
333	V	84.4	Confident	88.1	Confident	5 Å²	5	32 Å²	32	3%	0.03	17%	0.174	C	C	.	.			trans	-67.6	111.5	175.8	-175.1	0	0	0	0	109.2	I301 A330 M331 E338 W339 L342 F350 Q351 G352	I301-V333 HydrophobicContact CG2-CG2 4.24Å; A330-V333 HydrophobicContact CB-CG2 3.82Å; M331-V333 PolarHBondContact O-N 3.36Å; V333-E338 HydrophobicContact CG1-CB 4.15Å; V333-W339 HydrophobicContact CG1-CB 3.88Å; V333-L342 HydrophobicContact CG2-CD1 3.91Å; V333-F350 HydrophobicContact CG2-CD1 3.9Å; V333-Q351 PolarHBondContact N-O 3.33Å; V333-Q351 VanDerWaalsContact N-O 3.15Å; V333-G352 CarbonylContact O-C 3.4Å
334	A	76.5	Confident	87.8	Confident	40 Å²	40	30.1 Å²	30.1	33%	0.331	16%	0.161	S	C	.	.			trans	-105.8	-23.2	-170.2	0	0	0	0	0	112.9	G332 E338 L354	G332-A334 PolarHBondContact O-N 3.01Å; G332-A334 VanDerWaalsContact O-N 3.16Å; A334-E338 PolarHBondContact N-OE2 2.96Å; A334-E338 VanDerWaalsContact N-OE2 3.12Å; A334-L354 WeakPolarHBondContact O-CD2 3.2Å
335	T	79.7	Confident	87.7	Confident	8 Å²	8	27.5 Å²	27.5	5%	0.049	15%	0.15	C	C	.	.	S	Bend	trans	-125.7	149.5	-174.5	66	0	0	0	0	113.3	E337 E338 W339 H388	T335-E337 PolarHBondContact O-N 3.16Å; T335-E338 PolarHBondContact N-OE2 3.34Å; T335-E338 PolarHBondContact O-N 3.41Å; T335-E338 WeakPolarHBondContact OG1-CB 3.49Å; T335-E338 WeakPolarHBondContact OG1-CG 3.37Å; T335-E338 PolarHBondContact OG1-N 3.22Å; T335-E338 PolarHBondContact OG1-OE2 2.9Å; T335-W339 PolarHBondContact O-N 2.87Å; T335-W339 VanDerWaalsContact O-N 3.12Å; T335-H388 HydrophobicContact CG2-CB 4.07Å; T335-H388 VanDerWaalsContact CG2-CD2 3.41Å; T335-H388 WeakPolarHBondContact CG2-CD2 3.38Å
336	P	81.7	Confident	87.4	Confident	9 Å²	9	21 Å²	21	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-56.1	-38.2	173.7	-22.6	32.7	0	0	0	112.8	F121 W339 M340	F121-P336 HydrophobicContact CD2-CG 4.36Å; F121-P336 HydrophobicContact CE2-CB 3.78Å; F121-P336 HydrophobicContact CE2-CG 3.35Å; F121-P336 HydrophobicContact CZ-CB 3.71Å; F121-P336 HydrophobicContact CZ-CG 3.59Å; P336-W339 PolarHBondContact O-N 3.31Å; P336-M340 HydrophobicContact CB-CE 4.07Å; P336-M340 WeakPolarHBondContact O-CB 2.81Å; P336-M340 WeakPolarHBondContact O-CE 3.39Å; P336-M340 VanDerWaalsContact O-CG 3.26Å; P336-M340 WeakPolarHBondContact O-CG 3.37Å; P336-M340 PolarHBondContact O-N 2.98Å
337	E	87	Confident	87.1	Confident	22 Å²	22	20.7 Å²	20.7	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-70.8	-36.4	-178.1	-61	92.6	135	0	0	112.4	H305 T335 M340 W341 H388	H305-E337 HydrophobicContact CB-CB 4.31Å; T335-E337 PolarHBondContact O-N 3.16Å; E337-M340 HydrophobicContact CB-CE 4.43Å; E337-M340 HydrophobicContact CG-CE 4.04Å; E337-W341 WeakPolarHBondContact O-CB 3.42Å; E337-W341 PolarHBondContact O-N 3.38Å; E337-H388 IonicContact OE1-CD2 3.94Å; E337-H388 IonicContact OE1-CE1 2.7Å; E337-H388 IonicContact OE1-NE2 2.89Å; E337-H388 PolarHBondContact OE1-NE2 3.38Å; E337-H388 IonicContact OE2-CD2 3.44Å; E337-H388 IonicContact OE2-CE1 3.32Å; E337-H388 PolarHBondContact OE2-CE1 2.96Å; E337-H388 IonicContact OE2-NE2 2.8Å; E337-H388 PolarHBondContact OE2-NE2 2.89Å
338	E	89.5	Confident	86.6	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-50.7	168.5	-73.4	157.9	171.4	0	0	110.5	I301 T302 N303 V304 V333 A334 T335 M340 W341 L342	I301-E338 HydrophobicContact CG2-CB 4.33Å; I301-E338 HydrophobicContact CG2-CG 4.41Å; T302-E338 WeakPolarHBondContact CA-OE1 3.21Å; N303-E338 PolarHBondContact N-OE1 2.73Å; V304-E338 HydrophobicContact CG1-CB 4.43Å; V304-E338 HydrophobicContact CG1-CG 4.28Å; V333-E338 HydrophobicContact CG1-CB 4.15Å; A334-E338 PolarHBondContact N-OE2 2.96Å; A334-E338 VanDerWaalsContact N-OE2 3.12Å; T335-E338 PolarHBondContact N-OE2 3.34Å; T335-E338 PolarHBondContact O-N 3.41Å; T335-E338 WeakPolarHBondContact OG1-CB 3.49Å; T335-E338 WeakPolarHBondContact OG1-CG 3.37Å; T335-E338 PolarHBondContact OG1-N 3.22Å; T335-E338 PolarHBondContact OG1-OE2 2.9Å; E338-M340 PolarHBondContact O-N 3.14Å; E338-W341 PolarHBondContact O-N 3.28Å; E338-L342 WeakPolarHBondContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CD1 3.4Å; E338-L342 WeakPolarHBondContact O-CG 3.28Å; E338-L342 PolarHBondContact O-N 3.14Å
339	W	87.1	Confident	86.4	Confident	20 Å²	20	22 Å²	22	8%	0.076	14%	0.137	C	C	.	.	H	α-helix	trans	-56.2	-53	177.3	160.6	57.6	0	0	0	111.8	W119 F121 P151 V333 T335 P336 W341 L342 E343 F350	W119-W339 AromaticContact CD1-CZ3 3.85Å; W119-W339 AromaticContact CD2-CH2 3.67Å; W119-W339 HydrophobicContact CD2-CH2 3.67Å; W119-W339 AromaticContact CD2-CZ3 3.57Å; W119-W339 HydrophobicContact CD2-CZ3 3.57Å; W119-W339 AromaticContact CE2-CH2 3.51Å; W119-W339 AromaticContact CE2-CZ3 3.56Å; W119-W339 AromaticContact CE3-CH2 3.79Å; W119-W339 HydrophobicContact CE3-CH2 3.79Å; W119-W339 HydrophobicContact CE3-CZ3 4.09Å; W119-W339 HydrophobicContact CG-CH2 4.36Å; W119-W339 AromaticContact CG-CZ3 3.78Å; W119-W339 HydrophobicContact CG-CZ3 3.78Å; W119-W339 AromaticContact CH2-CH2 3.67Å; W119-W339 HydrophobicContact CH2-CH2 3.67Å; W119-W339 AromaticContact CZ2-CH2 3.53Å; W119-W339 HydrophobicContact CZ2-CH2 3.53Å; W119-W339 HydrophobicContact CZ2-CZ3 4.06Å; W119-W339 AromaticContact CZ3-CH2 3.8Å; W119-W339 HydrophobicContact CZ3-CH2 3.8Å; W119-W339 AromaticContact NE1-CZ3 3.71Å; F121-W339 HydrophobicContact CZ-CE3 4.39Å; P151-W339 HydrophobicContact CB-CZ2 4.04Å; V333-W339 HydrophobicContact CG1-CB 3.88Å; T335-W339 PolarHBondContact O-N 2.87Å; T335-W339 VanDerWaalsContact O-N 3.12Å; P336-W339 PolarHBondContact O-N 3.31Å; W339-W341 VanDerWaalsContact C-N 3.29Å; W339-W341 PolarHBondContact O-N 3.35Å; W339-L342 PolarHBondContact O-N 3.39Å; W339-L342 VanDerWaalsContact O-N 3.13Å; W339-E343 WeakPolarHBondContact CZ2-OE1 3.31Å; W339-E343 PolarHBondContact NE1-OE1 3.12Å; W339-E343 WeakPolarHBondContact O-CB 3.25Å; W339-E343 PolarHBondContact O-N 3.29Å; W339-F350 AromaticContact CD1-CE1 3.7Å; W339-F350 AromaticContact CD1-CE2 3.69Å; W339-F350 AromaticContact CD1-CZ 3.52Å; W339-F350 AromaticContact NE1-CE2 3.87Å
340	M	86.2	Confident	86.1	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-37.9	-178.4	-72.2	-176.8	-76.9	0	0	112.2	I113 P114 W119 P336 E337 E338 S344	I113-M340 HydrophobicContact CG1-CB 4.44Å; I113-M340 HydrophobicContact CG2-CB 3.4Å; I113-M340 HydrophobicContact CG2-CE 3.47Å; I113-M340 VanDerWaalsContact CG2-CE 3.47Å; I113-M340 HydrophobicContact CG2-CG 4.09Å; I113-M340 HydrophobicContact CG2-SD 3.59Å; I113-M340 VanDerWaalsContact CG2-SD 3.59Å; P114-M340 HydrophobicContact CB-SD 4.21Å; P114-M340 HydrophobicContact CG-SD 4.22Å; P114-M340 WeakPolarHBondContact O-CE 3.35Å; W119-M340 PolarHBondContact NE1-SD 2.96Å; P336-M340 HydrophobicContact CB-CE 4.07Å; P336-M340 WeakPolarHBondContact O-CB 2.81Å; P336-M340 WeakPolarHBondContact O-CE 3.39Å; P336-M340 VanDerWaalsContact O-CG 3.26Å; P336-M340 WeakPolarHBondContact O-CG 3.37Å; P336-M340 PolarHBondContact O-N 2.98Å; E337-M340 HydrophobicContact CB-CE 4.43Å; E337-M340 HydrophobicContact CG-CE 4.04Å; E338-M340 PolarHBondContact O-N 3.14Å; M340-S344 WeakPolarHBondContact O-CB 3.49Å; M340-S344 PolarHBondContact O-N 3.09Å; M340-S344 PolarHBondContact O-OG 3.19Å
341	W	92.8	Very high	85.6	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-48.1	174.7	-169.6	93.9	0	0	0	111.2	F111 I113 V304 H305 Q311 I314 Q315 E337 E338 W339 S344 A345	F111-W341 HydrophobicContact CD2-CD2 4.43Å; F111-W341 AromaticContact CD2-CE2 3.85Å; F111-W341 HydrophobicContact CD2-CZ2 4.21Å; F111-W341 AromaticContact CD2-NE1 3.69Å; F111-W341 HydrophobicContact CE2-CZ2 4.05Å; I113-W341 HydrophobicContact CD1-CB 3.38Å; I113-W341 VanDerWaalsContact CD1-CD1 3.49Å; I113-W341 HydrophobicContact CD1-CG 3.81Å; V304-W341 HydrophobicContact CB-CE3 4.28Å; V304-W341 HydrophobicContact CG1-CB 4.34Å; V304-W341 HydrophobicContact CG1-CD2 4.18Å; V304-W341 HydrophobicContact CG1-CE3 3.75Å; V304-W341 HydrophobicContact CG1-CG 4.4Å; V304-W341 HydrophobicContact CG1-CZ3 4.5Å; V304-W341 HydrophobicContact CG2-CD2 3.92Å; V304-W341 HydrophobicContact CG2-CE3 3.46Å; V304-W341 VanDerWaalsContact CG2-CE3 3.46Å; V304-W341 HydrophobicContact CG2-CH2 3.97Å; V304-W341 HydrophobicContact CG2-CZ2 4.4Å; V304-W341 HydrophobicContact CG2-CZ3 3.48Å; V304-W341 VanDerWaalsContact CG2-CZ3 3.48Å; H305-W341 HydrophobicContact CB-CB 4.03Å; H305-W341 HydrophobicContact CB-CG 4.32Å; Q311-W341 HydrophobicContact CB-CH2 3.95Å; Q311-W341 HydrophobicContact CB-CZ2 3.42Å; Q311-W341 VanDerWaalsContact CB-CZ2 3.42Å; Q311-W341 HydrophobicContact CG-CD2 4.4Å; Q311-W341 VanDerWaalsContact CG-CE2 3.5Å; Q311-W341 HydrophobicContact CG-CH2 4.05Å; Q311-W341 HydrophobicContact CG-CZ2 3.32Å; I314-W341 HydrophobicContact CB-CH2 4.25Å; I314-W341 HydrophobicContact CB-CZ3 4.14Å; I314-W341 HydrophobicContact CD1-CZ3 4.44Å; I314-W341 HydrophobicContact CG2-CH2 4.18Å; I314-W341 HydrophobicContact CG2-CZ3 3.78Å; Q315-W341 HydrophobicContact CG-CH2 4.11Å; Q315-W341 HydrophobicContact CG-CZ2 4.4Å; E337-W341 WeakPolarHBondContact O-CB 3.42Å; E337-W341 PolarHBondContact O-N 3.38Å; E338-W341 PolarHBondContact O-N 3.28Å; W339-W341 VanDerWaalsContact C-N 3.29Å; W339-W341 PolarHBondContact O-N 3.35Å; W341-S344 PolarHBondContact O-N 3.21Å; W341-A345 HydrophobicContact CE3-CB 4.18Å; W341-A345 HydrophobicContact CH2-CB 3.95Å; W341-A345 HydrophobicContact CZ2-CB 4.5Å; W341-A345 HydrophobicContact CZ3-CB 3.78Å; W341-A345 WeakPolarHBondContact O-CB 3.46Å; W341-A345 PolarHBondContact O-N 3.07Å
342	L	92.2	Very high	84.9	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-39.8	-178.8	-68.9	164	0	0	0	111.7	I301 V304 I314 A330 V333 E338 W339 A345 G346 I347 F350	I301-L342 HydrophobicContact CG1-CD1 4.18Å; I301-L342 HydrophobicContact CG1-CD2 4.24Å; I301-L342 HydrophobicContact CG2-CD1 3.93Å; V304-L342 HydrophobicContact CG1-CD2 4.35Å; V304-L342 HydrophobicContact CG1-CG 4.24Å; I314-L342 HydrophobicContact CD1-CD2 4.26Å; I314-L342 HydrophobicContact CG2-CD2 4.32Å; A330-L342 HydrophobicContact CB-CD1 3.78Å; V333-L342 HydrophobicContact CG2-CD1 3.91Å; E338-L342 WeakPolarHBondContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CD1 3.4Å; E338-L342 WeakPolarHBondContact O-CG 3.28Å; E338-L342 PolarHBondContact O-N 3.14Å; W339-L342 PolarHBondContact O-N 3.39Å; W339-L342 VanDerWaalsContact O-N 3.13Å; L342-A345 WeakPolarHBondContact O-CB 3.31Å; L342-A345 PolarHBondContact O-N 2.92Å; L342-G346 PolarHBondContact O-N 2.85Å; L342-I347 HydrophobicContact CB-CB 4.4Å; L342-I347 HydrophobicContact CB-CD1 4.27Å; L342-I347 HydrophobicContact CD2-CD1 3.67Å; L342-I347 WeakPolarHBondContact O-CB 3.27Å; L342-I347 PolarHBondContact O-N 2.95Å; L342-F350 HydrophobicContact CB-CE1 3.65Å; L342-F350 HydrophobicContact CB-CZ 4.21Å; L342-F350 HydrophobicContact CD1-CE1 4.11Å
343	E	86.6	Confident	83.9	Confident	45 Å²	45	26.6 Å²	26.6	21%	0.21	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-47.4	173.5	-175.8	-178.6	-101.5	0	0	110.7	L152 W339 A345 G346 I347 F350	L152-E343 HydrophobicContact CD1-CG 4.44Å; L152-E343 WeakPolarHBondContact CD2-OE1 3.47Å; L152-E343 WeakPolarHBondContact CG-OE1 3.45Å; W339-E343 WeakPolarHBondContact CZ2-OE1 3.31Å; W339-E343 PolarHBondContact NE1-OE1 3.12Å; W339-E343 WeakPolarHBondContact O-CB 3.25Å; W339-E343 PolarHBondContact O-N 3.29Å; E343-A345 PolarHBondContact O-N 3.47Å; E343-G346 PolarHBondContact O-N 3.43Å; E343-I347 WeakPolarHBondContact CA-O 3.35Å; E343-F350 HydrophobicContact CB-CZ 4.19Å
344	S	88.7	Confident	82.3	Confident	56 Å²	56	29.4 Å²	29.4	39%	0.392	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-31.4	175.6	-58.8	0	0	0	0	112.5	F111 M340 W341 G346	F111-S344 WeakPolarHBondContact CZ-O 3.3Å; M340-S344 WeakPolarHBondContact O-CB 3.49Å; M340-S344 PolarHBondContact O-N 3.09Å; M340-S344 PolarHBondContact O-OG 3.19Å; W341-S344 PolarHBondContact O-N 3.21Å; S344-G346 PolarHBondContact O-N 3.26Å
345	A	90.4	Very high	80.9	Confident	16 Å²	16	31.3 Å²	31.3	13%	0.132	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.7	174.9	0	0	0	0	0	113.5	F111 I318 W341 L342 E343	F111-A345 HydrophobicContact CE2-CB 3.75Å; F111-A345 HydrophobicContact CZ-CB 4.35Å; I318-A345 HydrophobicContact CD1-CB 3.77Å; I318-A345 WeakPolarHBondContact CD1-O 3.41Å; W341-A345 HydrophobicContact CE3-CB 4.18Å; W341-A345 HydrophobicContact CH2-CB 3.95Å; W341-A345 HydrophobicContact CZ2-CB 4.5Å; W341-A345 HydrophobicContact CZ3-CB 3.78Å; W341-A345 WeakPolarHBondContact O-CB 3.46Å; W341-A345 PolarHBondContact O-N 3.07Å; L342-A345 WeakPolarHBondContact O-CB 3.31Å; L342-A345 PolarHBondContact O-N 2.92Å; E343-A345 PolarHBondContact O-N 3.47Å
346	G	85.9	Confident	79.4	Confident	50 Å²	50	32.4 Å²	32.4	52%	0.515	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	18.6	177.7	0	0	0	0	0	115.2	L342 E343 S344	L342-G346 PolarHBondContact O-N 2.85Å; E343-G346 PolarHBondContact O-N 3.43Å; S344-G346 PolarHBondContact O-N 3.26Å
347	I	88.1	Confident	78	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	21%	0.211	C	C	.	.			trans	-89.5	129.8	171.8	-62.6	173.9	0	0	0	109.2	I296 I314 I318 V328 A330 L342 E343 F350	I296-I347 HydrophobicContact CD1-CD1 3.87Å; I314-I347 HydrophobicContact CG2-CD1 4.27Å; I318-I347 HydrophobicContact CD1-CD1 4Å; I318-I347 HydrophobicContact CD1-CG1 3.8Å; I318-I347 HydrophobicContact CG1-CD1 4.42Å; I318-I347 HydrophobicContact CG1-CG1 4.2Å; V328-I347 HydrophobicContact CG1-CD1 4.14Å; V328-I347 HydrophobicContact CG1-CG1 4.11Å; A330-I347 HydrophobicContact CB-CD1 4.37Å; A330-I347 HydrophobicContact CB-CG2 4.03Å; L342-I347 HydrophobicContact CB-CB 4.4Å; L342-I347 HydrophobicContact CB-CD1 4.27Å; L342-I347 HydrophobicContact CD2-CD1 3.67Å; L342-I347 WeakPolarHBondContact O-CB 3.27Å; L342-I347 PolarHBondContact O-N 2.95Å; E343-I347 WeakPolarHBondContact CA-O 3.35Å; I347-F350 HydrophobicContact CB-CE1 4.45Å; I347-F350 HydrophobicContact CB-CZ 4.21Å; I347-F350 HydrophobicContact CG2-CE1 3.99Å; I347-F350 HydrophobicContact CG2-CZ 3.97Å; I347-F350 WeakPolarHBondContact O-CE2 3.5Å; I347-F350 WeakPolarHBondContact O-CZ 3.49Å
348	E	82.2	Confident	76.6	Confident	130 Å²	130	35.5 Å²	35.5	61%	0.607	21%	0.213	S	C	*	.			trans	-106.9	-19	-175.7	-62.3	177.4	175.2	0	0	113.1
349	M	87.4	Confident	75.1	Confident	18 Å²	18	35.7 Å²	35.7	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.3	-171.8	-66.1	-178.9	-72.2	0	0	111.5	I148 V149 I157 R293 Q327 S329 A330	I148-M349 HydrophobicContact CG2-CB 4.25Å; V149-M349 WeakPolarHBondContact O-CA 3.47Å; I157-M349 HydrophobicContact CG2-SD 4.23Å; R293-M349 PolarHBondContact NH1-SD 3.18Å; R293-M349 PolarHBondContact NH2-SD 2.97Å; Q327-M349 HydrophobicContact CB-CE 3.94Å; S329-M349 CarbonylContact C-O 3.59Å; S329-M349 VanDerWaalsContact CA-O 3.27Å; S329-M349 WeakPolarHBondContact CA-O 3.26Å; S329-M349 WeakPolarHBondContact CB-O 3.43Å; A330-M349 PolarHBondContact N-O 2.87Å
350	F	86.5	Confident	73.6	Confident	10 Å²	10	40.7 Å²	40.7	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141	-170.3	-60.3	-85.8	0	0	0	111.3	I148 V149 P151 A330 V333 W339 L342 E343 I347	I148-F350 WeakPolarHBondContact CA-O 3.42Å; V149-F350 HydrophobicContact CG2-CB 4.38Å; V149-F350 PolarHBondContact N-O 2.97Å; V149-F350 PolarHBondContact O-N 3.35Å; P151-F350 VanDerWaalsContact CD-CD2 3.48Å; P151-F350 HydrophobicContact CG-CD2 3.74Å; P151-F350 HydrophobicContact CG-CE2 4.28Å; P151-F350 HydrophobicContact CG-CG 4.47Å; A330-F350 HydrophobicContact CB-CD1 3.97Å; A330-F350 HydrophobicContact CB-CE1 4.21Å; V333-F350 HydrophobicContact CG2-CD1 3.9Å; W339-F350 AromaticContact CD1-CE1 3.7Å; W339-F350 AromaticContact CD1-CE2 3.69Å; W339-F350 AromaticContact CD1-CZ 3.52Å; W339-F350 AromaticContact NE1-CE2 3.87Å; L342-F350 HydrophobicContact CB-CE1 3.65Å; L342-F350 HydrophobicContact CB-CZ 4.21Å; L342-F350 HydrophobicContact CD1-CE1 4.11Å; E343-F350 HydrophobicContact CB-CZ 4.19Å; I347-F350 HydrophobicContact CB-CE1 4.45Å; I347-F350 HydrophobicContact CB-CZ 4.21Å; I347-F350 HydrophobicContact CG2-CE1 3.99Å; I347-F350 HydrophobicContact CG2-CZ 3.97Å; I347-F350 WeakPolarHBondContact O-CE2 3.5Å; I347-F350 WeakPolarHBondContact O-CZ 3.49Å
351	Q	80.3	Confident	72.4	Confident	19 Å²	19	47.6 Å²	47.6	9%	0.089	27%	0.265	C	S	.	.			trans	-136.3	133.3	171.5	-172.6	178.2	11	0	0	107.2	I148 E160 A330 M331 G332 V333	I148-Q351 HydrophobicContact CG1-CB 4.28Å; I148-Q351 HydrophobicContact CG1-CG 4.3Å; E160-Q351 PolarHBondContact OE2-NE2 2.84Å; E160-Q351 PolarHBondContact OE2-OE1 2.83Å; A330-Q351 PolarHBondContact O-N 3.04Å; M331-Q351 CarbonylContact C-O 3.43Å; M331-Q351 VanDerWaalsContact C-O 3.25Å; M331-Q351 VanDerWaalsContact CA-O 3.28Å; M331-Q351 WeakPolarHBondContact CA-O 3.4Å; G332-Q351 PolarHBondContact N-O 3.05Å; V333-Q351 PolarHBondContact N-O 3.33Å; V333-Q351 VanDerWaalsContact N-O 3.15Å
352	G	69.7	Low	71.2	Confident	29 Å²	29	47.5 Å²	47.5	30%	0.299	27%	0.265	S	S	.	.			trans	161.8	155.3	179.1	0	0	0	0	0	114.4	V333 L354	V333-G352 CarbonylContact O-C 3.4Å; G352-L354 PolarHBondContact O-N 3.35Å
353	D	59.7	Low	70	Confident	67 Å²	67	50.5 Å²	50.5	36%	0.358	30%	0.296	S	S	.	.			trans	-97.4	76.7	-165.1	-46.3	-58.3	0	0	0	109.9	I355 D357	D353-I355 PolarHBondContact O-N 2.61Å; D353-D357 HydrophobicContact CB-CB 4.14Å; D353-D357 VanDerWaalsContact CB-CG 3.45Å; D353-D357 WeakPolarHBondContact CB-OD1 3.42Å; D353-D357 VanDerWaalsContact CG-OD2 3.27Å
354	L	50.9	Low	69.1	Low	63 Å²	63	49 Å²	49	33%	0.33	29%	0.29	S	S	.	.	S	Bend	trans	-65	86.1	164.2	-84.9	140.7	0	0	0	108.1	F121 A334 G352 G356	F121-L354 HydrophobicContact CD1-CD1 4.25Å; F121-L354 HydrophobicContact CD1-CD2 4.41Å; F121-L354 HydrophobicContact CE1-CD1 3.9Å; F121-L354 HydrophobicContact CE1-CD2 4.2Å; F121-L354 HydrophobicContact CZ-CD2 4.46Å; A334-L354 WeakPolarHBondContact O-CD2 3.2Å; G352-L354 PolarHBondContact O-N 3.35Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.15Å
355	I	46.9	Very low	68.2	Low	80 Å²	80	51 Å²	51	41%	0.41	30%	0.296	S	S	.	.	S	Bend	trans	81.1	-13.2	170.7	-53.3	153.2	0	0	0	115.8	D353 P366	D353-I355 PolarHBondContact O-N 2.61Å; I355-P366 HydrophobicContact CG2-CB 4.19Å
356	G	47.6	Very low	66.7	Low	32 Å²	32	52.8 Å²	52.8	33%	0.33	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-51.6	-175	0	0	0	0	0	115.3	L354 V358 A359 E360	L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.15Å; G356-V358 PolarHBondContact O-N 2.91Å; G356-A359 WeakPolarHBondContact O-CA 3.44Å; G356-A359 WeakPolarHBondContact O-CB 3.38Å; G356-A359 PolarHBondContact O-N 2.95Å; G356-E360 PolarHBondContact O-N 3.32Å
357	D	52.9	Low	65.8	Low	70 Å²	70	55.6 Å²	55.6	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-39.5	-168.5	-78.2	7.8	0	0	0	115.5	D353 A359 E360 R361	D353-D357 HydrophobicContact CB-CB 4.14Å; D353-D357 VanDerWaalsContact CB-CG 3.45Å; D353-D357 WeakPolarHBondContact CB-OD1 3.42Å; D353-D357 VanDerWaalsContact CG-OD2 3.27Å; D357-A359 VanDerWaalsContact C-N 3.28Å; D357-A359 PolarHBondContact O-N 3.01Å; D357-E360 PolarHBondContact O-N 2.86Å; D357-R361 WeakPolarHBondContact O-CA 3.47Å; D357-R361 WeakPolarHBondContact O-CB 3.23Å; D357-R361 PolarHBondContact O-N 2.81Å
358	V	57.7	Low	65	Low	26 Å²	26	58.1 Å²	58.1	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-70.3	-32.9	179.4	-179.9	0	0	0	0	110.5	G356 C362 L369 F391 I399	G356-V358 PolarHBondContact O-N 2.91Å; V358-C362 VanDerWaalsContact O-CB 3.25Å; V358-C362 WeakPolarHBondContact O-CB 3.31Å; V358-C362 PolarHBondContact O-N 3.41Å; V358-C362 PolarHBondContact O-SG 3.41Å; V358-L369 HydrophobicContact CG1-CD1 4.21Å; V358-L369 HydrophobicContact CG1-CD2 4.46Å; V358-F391 HydrophobicContact CB-CD2 4.48Å; V358-F391 HydrophobicContact CG1-CB 4.21Å; V358-F391 HydrophobicContact CG1-CD1 4.19Å; V358-F391 HydrophobicContact CG1-CD2 4.38Å; V358-F391 HydrophobicContact CG1-CG 4.02Å; V358-F391 HydrophobicContact CG2-CB 3.75Å; V358-F391 HydrophobicContact CG2-CD2 3.95Å; V358-F391 HydrophobicContact CG2-CG 4Å; V358-I399 HydrophobicContact CG1-CD1 3.53Å
359	A	56.4	Low	64.5	Low	7 Å²	7	52.4 Å²	52.4	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-71.3	-42.1	175.8	0	0	0	0	0	111.6	G356 D357 G363 I364 P366 L369	G356-A359 WeakPolarHBondContact O-CA 3.44Å; G356-A359 WeakPolarHBondContact O-CB 3.38Å; G356-A359 PolarHBondContact O-N 2.95Å; D357-A359 VanDerWaalsContact C-N 3.28Å; D357-A359 PolarHBondContact O-N 3.01Å; A359-G363 CarbonylContact O-C 3.53Å; A359-G363 WeakPolarHBondContact O-CA 3.23Å; A359-G363 PolarHBondContact O-N 3.37Å; A359-G363 VanDerWaalsContact O-N 3.1Å; A359-I364 CarbonylContact C-O 3.57Å; A359-I364 WeakPolarHBondContact CA-O 3.47Å; A359-I364 WeakPolarHBondContact CB-O 3.41Å; A359-I364 PolarHBondContact O-N 3.49Å; A359-I364 VanDerWaalsContact O-O 3.06Å; A359-P366 HydrophobicContact CB-CB 4.26Å; A359-P366 HydrophobicContact CB-CG 3.54Å; A359-L369 HydrophobicContact CB-CD1 3.81Å
360	E	56.8	Low	63.5	Low	125 Å²	125	54.5 Å²	54.5	58%	0.584	31%	0.309	S	S	*	.	H	α-helix	trans	-71	-52.3	178.3	-170.2	172.9	176.4	0	0	111.8	G356 D357 C362 G363	G356-E360 PolarHBondContact O-N 3.32Å; D357-E360 PolarHBondContact O-N 2.86Å; E360-C362 VanDerWaalsContact C-N 3.26Å; E360-C362 PolarHBondContact O-N 3.25Å; E360-G363 PolarHBondContact O-N 3.38Å
361	R	61.1	Low	62.8	Low	151 Å²	151	55.2 Å²	55.2	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-36.4	179.6	-174.3	173.1	176.4	-164.6	-7.6	112.8	D357 E393	D357-R361 WeakPolarHBondContact O-CA 3.47Å; D357-R361 WeakPolarHBondContact O-CB 3.23Å; D357-R361 PolarHBondContact O-N 2.81Å; R361-E393 IonicContact CZ-OE1 3.24Å; R361-E393 VanDerWaalsContact CZ-OE1 3.24Å; R361-E393 IonicContact CZ-OE2 3.67Å; R361-E393 IonicContact NH1-OE1 2.94Å; R361-E393 PolarHBondContact NH1-OE1 3.34Å; R361-E393 IonicContact NH1-OE2 2.97Å; R361-E393 IonicContact NH2-OE1 3.99Å; R361-E393 PolarHBondContact NH2-OE1 3.09Å; R361-E393 IonicContact NH2-OE2 2.9Å; R361-E393 PolarHBondContact NH2-OE2 3.42Å; R361-E393 VanDerWaalsContact NH2-OE2 3.14Å
362	C	67.6	Low	63	Low	1 Å²	1	55.2 Å²	55.2	1%	0.007	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	1.5	177	-61.9	0	0	0	0	113.4	V358 E360 I364 I399 E400 K403	V358-C362 VanDerWaalsContact O-CB 3.25Å; V358-C362 WeakPolarHBondContact O-CB 3.31Å; V358-C362 PolarHBondContact O-N 3.41Å; V358-C362 PolarHBondContact O-SG 3.41Å; E360-C362 VanDerWaalsContact C-N 3.26Å; E360-C362 PolarHBondContact O-N 3.25Å; C362-I364 VanDerWaalsContact C-N 3.25Å; C362-I364 HydrophobicContact CB-CD1 4.16Å; C362-I364 PolarHBondContact O-N 2.85Å; C362-I399 HydrophobicContact CB-CG2 3.52Å; C362-E400 WeakPolarHBondContact CA-OE1 3.46Å; C362-K403 WeakPolarHBondContact O-CD 3.4Å; C362-K403 VanDerWaalsContact O-CE 3.29Å; C362-K403 WeakPolarHBondContact O-CE 3.43Å; C362-K403 PolarHBondContact O-NZ 2.64Å
363	G	66.3	Low	63.3	Low	64 Å²	64	54.8 Å²	54.8	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	37.6	-177.1	0	0	0	0	0	113.6	A359 E360	A359-G363 CarbonylContact O-C 3.53Å; A359-G363 WeakPolarHBondContact O-CA 3.23Å; A359-G363 PolarHBondContact O-N 3.37Å; A359-G363 VanDerWaalsContact O-N 3.1Å; E360-G363 PolarHBondContact O-N 3.38Å
364	I	68.8	Low	64.1	Low	14 Å²	14	60.1 Å²	60.1	7%	0.072	32%	0.322	C	S	.	.			trans	-125	127.9	180	-70.3	159.9	0	0	0	109.9	A359 C362 T368 L369 W372 I399 K403	A359-I364 CarbonylContact C-O 3.57Å; A359-I364 WeakPolarHBondContact CA-O 3.47Å; A359-I364 WeakPolarHBondContact CB-O 3.41Å; A359-I364 PolarHBondContact O-N 3.49Å; A359-I364 VanDerWaalsContact O-O 3.06Å; C362-I364 VanDerWaalsContact C-N 3.25Å; C362-I364 HydrophobicContact CB-CD1 4.16Å; C362-I364 PolarHBondContact O-N 2.85Å; I364-T368 HydrophobicContact CG2-CG2 3.77Å; I364-L369 HydrophobicContact CB-CD1 4.32Å; I364-L369 HydrophobicContact CB-CG 4.31Å; I364-L369 HydrophobicContact CG2-CD1 4.22Å; I364-L369 HydrophobicContact CG2-CG 3.8Å; I364-W372 HydrophobicContact CD1-CE3 4.44Å; I364-W372 HydrophobicContact CD1-CH2 3.57Å; I364-W372 HydrophobicContact CD1-CZ3 3.5Å; I364-W372 HydrophobicContact CG1-CH2 4.33Å; I364-I399 HydrophobicContact CD1-CG2 3.24Å; I364-K403 HydrophobicContact CD1-CD 3.48Å; I364-K403 VanDerWaalsContact CD1-CD 3.48Å; I364-K403 HydrophobicContact CD1-CG 3.56Å; I364-K403 HydrophobicContact CG1-CD 3.85Å; I364-K403 HydrophobicContact CG1-CG 4.06Å
365	N	68.5	Low	65.3	Low	98 Å²	98	66.3 Å²	66.3	52%	0.524	34%	0.34	S	S	.	.			trans	-52.1	133	173.2	-176.7	-55.5	0	0	0	111.9	V367 T368 L369	N365-V367 PolarHBondContact O-N 3.25Å; N365-V367 VanDerWaalsContact OD1-CB 3.28Å; N365-V367 WeakPolarHBondContact OD1-CB 3.23Å; N365-V367 WeakPolarHBondContact OD1-CG2 3.49Å; N365-V367 PolarHBondContact OD1-N 3.19Å; N365-T368 WeakPolarHBondContact O-CA 3.43Å; N365-T368 WeakPolarHBondContact O-CB 3.34Å; N365-T368 PolarHBondContact O-N 2.61Å; N365-L369 PolarHBondContact O-N 3.02Å
366	P	59.5	Low	66.8	Low	53 Å²	53	66.1 Å²	66.1	34%	0.344	34%	0.335	S	S	.	.	H	α-helix	trans	-50.4	-34	179.6	-26.9	32	0	0	0	114.7	I355 A359 T368 L369 R370	I355-P366 HydrophobicContact CG2-CB 4.19Å; A359-P366 HydrophobicContact CB-CB 4.26Å; A359-P366 HydrophobicContact CB-CG 3.54Å; P366-T368 VanDerWaalsContact C-N 3.34Å; P366-T368 PolarHBondContact O-N 3.01Å; P366-L369 PolarHBondContact O-N 3.21Å; P366-R370 WeakPolarHBondContact O-CB 3.35Å; P366-R370 VanDerWaalsContact O-CG 3.27Å; P366-R370 WeakPolarHBondContact O-CG 3.37Å; P366-R370 PolarHBondContact O-N 3.03Å
367	V	66.3	Low	68.4	Low	108 Å²	108	65.7 Å²	65.7	66%	0.655	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-38	177	-179.2	0	0	0	0	111.5	N365 R370 A371	N365-V367 PolarHBondContact O-N 3.25Å; N365-V367 VanDerWaalsContact OD1-CB 3.28Å; N365-V367 WeakPolarHBondContact OD1-CB 3.23Å; N365-V367 WeakPolarHBondContact OD1-CG2 3.49Å; N365-V367 PolarHBondContact OD1-N 3.19Å; V367-R370 PolarHBondContact O-N 3.13Å; V367-A371 WeakPolarHBondContact O-CB 3.34Å; V367-A371 PolarHBondContact O-N 3.09Å
368	T	72.3	Confident	69.8	Low	56 Å²	56	62.6 Å²	62.6	34%	0.344	31%	0.314	S	S	.	.	H	α-helix	trans	-69.2	-44.1	177.2	-60.2	0	0	0	0	110.8	I364 N365 P366 R370 A371 W372	I364-T368 HydrophobicContact CG2-CG2 3.77Å; N365-T368 WeakPolarHBondContact O-CA 3.43Å; N365-T368 WeakPolarHBondContact O-CB 3.34Å; N365-T368 PolarHBondContact O-N 2.61Å; P366-T368 VanDerWaalsContact C-N 3.34Å; P366-T368 PolarHBondContact O-N 3.01Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.16Å; T368-A371 WeakPolarHBondContact O-CB 3.34Å; T368-A371 PolarHBondContact O-N 2.98Å; T368-A371 VanDerWaalsContact O-N 3.09Å; T368-W372 HydrophobicContact CG2-CD2 4.39Å; T368-W372 HydrophobicContact CG2-CZ2 3.93Å; T368-W372 VanDerWaalsContact O-CD1 3.32Å; T368-W372 PolarHBondContact O-N 3.46Å
369	L	71.7	Confident	70.9	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-56.4	-44.7	171.6	-89.6	160.2	0	0	0	111.5	V358 A359 I364 N365 P366 A371 W372 Q373 L379 I399	V358-L369 HydrophobicContact CG1-CD1 4.21Å; V358-L369 HydrophobicContact CG1-CD2 4.46Å; A359-L369 HydrophobicContact CB-CD1 3.81Å; I364-L369 HydrophobicContact CB-CD1 4.32Å; I364-L369 HydrophobicContact CB-CG 4.31Å; I364-L369 HydrophobicContact CG2-CD1 4.22Å; I364-L369 HydrophobicContact CG2-CG 3.8Å; N365-L369 PolarHBondContact O-N 3.02Å; P366-L369 PolarHBondContact O-N 3.21Å; L369-A371 VanDerWaalsContact C-N 3.35Å; L369-A371 PolarHBondContact O-N 3.21Å; L369-W372 PolarHBondContact O-N 2.91Å; L369-Q373 PolarHBondContact O-N 3.15Å; L369-L379 HydrophobicContact CD2-CD1 3.71Å; L369-I399 HydrophobicContact CD2-CD1 3.54Å; L369-I399 HydrophobicContact CD2-CG1 3.81Å; L369-I399 HydrophobicContact CD2-CG2 4.3Å
370	R	66.3	Low	71.9	Confident	62 Å²	62	69.2 Å²	69.2	23%	0.234	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-37.6	174.7	-72.4	-65.1	-168.2	-148.3	0.5	112.8	P366 V367 T368 R374 R389	P366-R370 WeakPolarHBondContact O-CB 3.35Å; P366-R370 VanDerWaalsContact O-CG 3.27Å; P366-R370 WeakPolarHBondContact O-CG 3.37Å; P366-R370 PolarHBondContact O-N 3.03Å; V367-R370 PolarHBondContact O-N 3.13Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.16Å; R370-R374 WeakPolarHBondContact O-CB 3.46Å; R370-R374 PolarHBondContact O-N 2.97Å; R370-R389 VanDerWaalsContact NH1-NH1 3.11Å
371	A	71.8	Confident	72.7	Confident	25 Å²	25	63.6 Å²	63.6	21%	0.207	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-43.8	176.7	0	0	0	0	0	111.8	V367 T368 L369 Q373 R374 R375 Y376	V367-A371 WeakPolarHBondContact O-CB 3.34Å; V367-A371 PolarHBondContact O-N 3.09Å; T368-A371 WeakPolarHBondContact O-CB 3.34Å; T368-A371 PolarHBondContact O-N 2.98Å; T368-A371 VanDerWaalsContact O-N 3.09Å; L369-A371 VanDerWaalsContact C-N 3.35Å; L369-A371 PolarHBondContact O-N 3.21Å; A371-Q373 VanDerWaalsContact C-N 3.25Å; A371-Q373 PolarHBondContact O-N 3.02Å; A371-R374 PolarHBondContact O-N 2.99Å; A371-R375 WeakPolarHBondContact O-CA 3.5Å; A371-R375 VanDerWaalsContact O-CB 3.28Å; A371-R375 WeakPolarHBondContact O-CB 3.48Å; A371-R375 PolarHBondContact O-N 3.47Å; A371-Y376 WeakPolarHBondContact O-CD2 3.45Å; A371-Y376 PolarHBondContact O-N 3.22Å
372	W	83.6	Confident	72.9	Confident	18 Å²	18	62.2 Å²	62.2	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-40.1	175.9	-70.9	8.2	0	0	0	111.8	I364 T368 L369 Y376 G377 L378 L379 I399 I402 K403 I406	I364-W372 HydrophobicContact CD1-CE3 4.44Å; I364-W372 HydrophobicContact CD1-CH2 3.57Å; I364-W372 HydrophobicContact CD1-CZ3 3.5Å; I364-W372 HydrophobicContact CG1-CH2 4.33Å; T368-W372 HydrophobicContact CG2-CD2 4.39Å; T368-W372 HydrophobicContact CG2-CZ2 3.93Å; T368-W372 VanDerWaalsContact O-CD1 3.32Å; T368-W372 PolarHBondContact O-N 3.46Å; L369-W372 PolarHBondContact O-N 2.91Å; W372-Y376 CarbonylContact O-C 3.55Å; W372-G377 PolarHBondContact O-N 3.14Å; W372-L378 HydrophobicContact CB-CB 4.34Å; W372-L378 HydrophobicContact CB-CD1 4.17Å; W372-L378 HydrophobicContact CG-CD1 4.09Å; W372-L378 PolarHBondContact O-N 3.44Å; W372-L379 HydrophobicContact CB-CD1 4.33Å; W372-L379 HydrophobicContact CE3-CD1 4.44Å; W372-I399 HydrophobicContact CZ3-CG2 4.24Å; W372-I402 HydrophobicContact CD2-CG2 3.81Å; W372-I402 HydrophobicContact CE3-CB 3.98Å; W372-I402 HydrophobicContact CE3-CD1 3.86Å; W372-I402 HydrophobicContact CE3-CG2 3.49Å; W372-I402 VanDerWaalsContact CE3-CG2 3.49Å; W372-I402 HydrophobicContact CH2-CB 4.05Å; W372-I402 HydrophobicContact CH2-CG2 3.45Å; W372-I402 VanDerWaalsContact CH2-CG2 3.45Å; W372-I402 HydrophobicContact CZ2-CG2 3.79Å; W372-I402 HydrophobicContact CZ3-CB 3.57Å; W372-I402 HydrophobicContact CZ3-CD1 4.21Å; W372-I402 HydrophobicContact CZ3-CG2 3.29Å; W372-K403 HydrophobicContact CH2-CG 3.88Å; W372-K403 HydrophobicContact CZ3-CG 4.4Å; W372-I406 HydrophobicContact CH2-CD1 3.9Å; W372-I406 HydrophobicContact CZ2-CD1 3.24Å
373	Q	77.9	Confident	72.4	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-69.1	-61.8	173.7	-172.9	-176.6	28.4	0	0	113.2	L369 A371 G377 R389	L369-Q373 PolarHBondContact O-N 3.15Å; A371-Q373 VanDerWaalsContact C-N 3.25Å; A371-Q373 PolarHBondContact O-N 3.02Å; Q373-G377 VanDerWaalsContact O-CA 3.27Å; Q373-G377 WeakPolarHBondContact O-CA 3.44Å; Q373-G377 PolarHBondContact O-N 3.31Å; Q373-R389 VanDerWaalsContact OE1-CZ 3.31Å
374	R	76.3	Confident	71.6	Confident	180 Å²	180	67 Å²	67	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-77.7	-39.1	-166.6	-74.6	179.6	164.4	153.2	-2.7	113.4	R370 A371	R370-R374 WeakPolarHBondContact O-CB 3.46Å; R370-R374 PolarHBondContact O-N 2.97Å; A371-R374 PolarHBondContact O-N 2.99Å
375	R	76	Confident	70.1	Confident	192 Å²	192	72.2 Å²	72.2	73%	0.725	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-41.2	-172.6	-169.8	179.8	-63.3	170.5	2.5	112	A371	A371-R375 WeakPolarHBondContact O-CA 3.5Å; A371-R375 VanDerWaalsContact O-CB 3.28Å; A371-R375 WeakPolarHBondContact O-CB 3.48Å; A371-R375 PolarHBondContact O-N 3.47Å
376	Y	78.5	Confident	68.5	Low	77 Å²	77	68.6 Å²	68.6	30%	0.302	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-14.5	-175.4	-55.8	-68.5	0	0	0	113.2	A371 W372 L378 V412 K416	A371-Y376 WeakPolarHBondContact O-CD2 3.45Å; A371-Y376 PolarHBondContact O-N 3.22Å; W372-Y376 CarbonylContact O-C 3.55Å; Y376-L378 HydrophobicContact CG-CD1 4.47Å; Y376-L378 PolarHBondContact O-N 2.83Å; Y376-V412 HydrophobicContact CD1-CG1 4.06Å; Y376-V412 HydrophobicContact CD2-CG1 3.99Å; Y376-V412 HydrophobicContact CD2-CG2 4.16Å; Y376-V412 HydrophobicContact CE1-CG1 3.61Å; Y376-V412 HydrophobicContact CE2-CG1 3.51Å; Y376-V412 HydrophobicContact CE2-CG2 4.37Å; Y376-V412 HydrophobicContact CG-CG1 4.24Å; Y376-V412 HydrophobicContact CG-CG2 4.43Å; Y376-K416 WeakPolarHBondContact O-CD 3.42Å
377	G	80.5	Confident	67.7	Low	23 Å²	23	67.1 Å²	67.1	24%	0.237	32%	0.318	C	S	.	.			trans	61	29.6	179.4	0	0	0	0	0	113.7	W372 Q373	W372-G377 PolarHBondContact O-N 3.14Å; Q373-G377 VanDerWaalsContact O-CA 3.27Å; Q373-G377 WeakPolarHBondContact O-CA 3.44Å; Q373-G377 PolarHBondContact O-N 3.31Å
378	L	82	Confident	66.6	Low	5 Å²	5	63.5 Å²	63.5	3%	0.026	29%	0.294	C	S	.	.			trans	-80.1	-26.8	-175.4	-67.9	169.8	0	0	0	113.1	W372 Y376 R398 I402 V412 V415 K416 L419	W372-L378 HydrophobicContact CB-CB 4.34Å; W372-L378 HydrophobicContact CB-CD1 4.17Å; W372-L378 HydrophobicContact CG-CD1 4.09Å; W372-L378 PolarHBondContact O-N 3.44Å; Y376-L378 HydrophobicContact CG-CD1 4.47Å; Y376-L378 PolarHBondContact O-N 2.83Å; L378-R398 PolarHBondContact O-NE 3.23Å; L378-I402 HydrophobicContact CB-CD1 3.72Å; L378-I402 HydrophobicContact CB-CG1 4.47Å; L378-I402 HydrophobicContact CD1-CD1 4.44Å; L378-I402 HydrophobicContact CD1-CG2 4.09Å; L378-V412 HydrophobicContact CD1-CG2 3.62Å; L378-V415 HydrophobicContact CD2-CB 4.01Å; L378-V415 HydrophobicContact CD2-CG1 4.09Å; L378-K416 VanDerWaalsContact CD2-CA 3.43Å; L378-K416 HydrophobicContact CD2-CB 3.55Å; L378-K416 HydrophobicContact CD2-CG 4.31Å; L378-K416 VanDerWaalsContact CD2-N 3.27Å; L378-L419 HydrophobicContact CD2-CD1 4.19Å
379	L	80.1	Confident	66.1	Low	2 Å²	2	63.4 Å²	63.4	1%	0.01	29%	0.288	C	S	.	.			trans	-121.3	135.9	179.8	-61.2	168.3	0	0	0	108.9	L369 W372 F391 R398 I399 I402	L369-L379 HydrophobicContact CD2-CD1 3.71Å; W372-L379 HydrophobicContact CB-CD1 4.33Å; W372-L379 HydrophobicContact CE3-CD1 4.44Å; L379-F391 HydrophobicContact CD1-CE1 4.33Å; L379-R398 HydrophobicContact CD2-CB 4.23Å; L379-R398 HydrophobicContact CD2-CG 4.1Å; L379-I399 HydrophobicContact CD1-CD1 4.17Å; L379-I399 HydrophobicContact CD1-CG1 3.63Å; L379-I399 HydrophobicContact CD2-CG1 3.66Å; L379-I399 HydrophobicContact CG-CG1 4.29Å; L379-I402 HydrophobicContact CD2-CD1 3.8Å; L379-I402 HydrophobicContact CG-CD1 4.03Å
380	K	78.8	Confident	65.6	Low	170 Å²	170	67.2 Å²	67.2	74%	0.739	31%	0.307	S	S	*	.			trans	-129.2	61	172.8	-67.8	-176.1	-174.7	171.4	0	109.2	Q382	K380-Q382 PolarHBondContact O-N 3.26Å
381	P	72.4	Confident	65.7	Low	6 Å²	6	66.5 Å²	66.5	4%	0.039	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-52.2	140.3	178.7	23	-35.8	0	0	0	109.7	R383 R389 L390 F391 D395	P381-R383 PolarHBondContact O-N 3.35Å; P381-R389 HydrophobicContact CB-CB 3.96Å; P381-R389 HydrophobicContact CG-CB 3.58Å; P381-R389 HydrophobicContact CG-CG 3.8Å; P381-L390 CarbonylContact C-O 3.58Å; P381-L390 WeakPolarHBondContact CB-O 3.49Å; P381-F391 HydrophobicContact CB-CD1 3.69Å; P381-F391 HydrophobicContact CB-CD2 4.31Å; P381-F391 HydrophobicContact CB-CE1 3.77Å; P381-F391 HydrophobicContact CB-CE2 4.39Å; P381-F391 HydrophobicContact CB-CG 3.97Å; P381-F391 HydrophobicContact CB-CZ 4.14Å; P381-F391 HydrophobicContact CG-CD1 4.07Å; P381-F391 HydrophobicContact CG-CE1 3.6Å; P381-F391 HydrophobicContact CG-CE2 4.34Å; P381-F391 HydrophobicContact CG-CZ 3.76Å; P381-D395 WeakPolarHBondContact CA-OD2 3.39Å
382	Q	66.3	Low	65.6	Low	122 Å²	122	67.9 Å²	67.9	57%	0.57	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.6	138.5	179	-68.2	-166	18.4	0	0	108.6	K380 R389 L390 D392	K380-Q382 PolarHBondContact O-N 3.26Å; Q382-R389 CarbonylContact O-C 3.49Å; Q382-R389 WeakPolarHBondContact O-CA 3.44Å; Q382-L390 HydrophobicContact CB-CB 4.39Å; Q382-L390 PolarHBondContact N-O 2.92Å; Q382-L390 PolarHBondContact O-N 3.48Å; Q382-D392 PolarHBondContact NE2-OD2 3.16Å
383	R	56.2	Low	64.6	Low	151 Å²	151	71.8 Å²	71.8	57%	0.57	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.3	172.8	-69.1	-170.5	179.2	-137.7	18.9	108	P381 G387 H388	P381-R383 PolarHBondContact O-N 3.35Å; R383-G387 PolarHBondContact NH1-O 3.44Å; R383-H388 CarbonylContact C-O 3.31Å; R383-H388 WeakPolarHBondContact CA-O 3.46Å
384	S	49.5	Very low	64.1	Low	14 Å²	14	77.7 Å²	77.7	10%	0.098	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-54.5	159.3	160.8	78.8	0	0	0	0	107.8	G386 G387 H388	S384-G386 PolarHBondContact O-N 2.93Å; S384-G386 PolarHBondContact OG-N 3.11Å; S384-G387 PolarHBondContact O-N 3.11Å; S384-H388 PolarHBondContact N-O 3.29Å; S384-H388 PolarHBondContact OG-N 2.76Å
385	E	37.1	Very low	64.1	Low	125 Å²	125	69.8 Å²	69.8	58%	0.584	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-9.2	175.5	-68.9	-172.6	154.2	0	0	112.8
386	G	36.5	Very low	64	Low	22 Å²	22	61.5 Å²	61.5	23%	0.227	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.9	174.4	0	0	0	0	0	114.3	S384	S384-G386 PolarHBondContact O-N 2.93Å; S384-G386 PolarHBondContact OG-N 3.11Å
387	G	42.5	Very low	63.8	Low	22 Å²	22	64.2 Å²	64.2	23%	0.227	31%	0.313	C	S	.	.	S	Bend	trans	91.9	-6.7	178	0	0	0	0	0	115.5	R383 S384	R383-G387 PolarHBondContact NH1-O 3.44Å; S384-G387 PolarHBondContact O-N 3.11Å
388	H	43.4	Very low	63.8	Low	32 Å²	32	65.8 Å²	65.8	15%	0.148	31%	0.312	C	S	.	.			trans	-70.7	147.2	176.8	-63.8	-61.2	0	0	0	112.8	E116 T335 E337 R383 S384	E116-H388 IonicContact OE2-CE1 3.01Å; E116-H388 PolarHBondContact OE2-CE1 3.25Å; E116-H388 IonicContact OE2-ND1 3.55Å; E116-H388 IonicContact OE2-NE2 2.83Å; T335-H388 HydrophobicContact CG2-CB 4.07Å; T335-H388 VanDerWaalsContact CG2-CD2 3.41Å; T335-H388 WeakPolarHBondContact CG2-CD2 3.38Å; E337-H388 IonicContact OE1-CD2 3.94Å; E337-H388 IonicContact OE1-CE1 2.7Å; E337-H388 IonicContact OE1-NE2 2.89Å; E337-H388 PolarHBondContact OE1-NE2 3.38Å; E337-H388 IonicContact OE2-CD2 3.44Å; E337-H388 IonicContact OE2-CE1 3.32Å; E337-H388 PolarHBondContact OE2-CE1 2.96Å; E337-H388 IonicContact OE2-NE2 2.8Å; E337-H388 PolarHBondContact OE2-NE2 2.89Å; R383-H388 CarbonylContact C-O 3.31Å; R383-H388 WeakPolarHBondContact CA-O 3.46Å; S384-H388 PolarHBondContact N-O 3.29Å; S384-H388 PolarHBondContact OG-N 2.76Å
389	R	61.3	Low	63.8	Low	54 Å²	54	65.5 Å²	65.5	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.1	-174	-67.5	146.3	175.2	143.5	-3.6	109.6	R370 Q373 P381 Q382 F391	R370-R389 VanDerWaalsContact NH1-NH1 3.11Å; Q373-R389 VanDerWaalsContact OE1-CZ 3.31Å; P381-R389 HydrophobicContact CB-CB 3.96Å; P381-R389 HydrophobicContact CG-CB 3.58Å; P381-R389 HydrophobicContact CG-CG 3.8Å; Q382-R389 CarbonylContact O-C 3.49Å; Q382-R389 WeakPolarHBondContact O-CA 3.44Å; R389-F391 HydrophobicContact CB-CE2 4.06Å; R389-F391 HydrophobicContact CB-CZ 4.42Å
390	L	60.8	Low	63.8	Low	89 Å²	89	69 Å²	69	47%	0.466	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.9	171.2	-60.4	171.6	0	0	0	107.3	P381 Q382	P381-L390 CarbonylContact C-O 3.58Å; P381-L390 WeakPolarHBondContact CB-O 3.49Å; Q382-L390 HydrophobicContact CB-CB 4.39Å; Q382-L390 PolarHBondContact N-O 2.92Å; Q382-L390 PolarHBondContact O-N 3.48Å
391	F	69	Low	63.8	Low	48 Å²	48	63.8 Å²	63.8	21%	0.211	31%	0.305	C	S	.	.			trans	-93.1	114.8	172.9	-62.9	-94.7	0	0	0	107.4	V358 L379 P381 R389 D395 I399	V358-F391 HydrophobicContact CB-CD2 4.48Å; V358-F391 HydrophobicContact CG1-CB 4.21Å; V358-F391 HydrophobicContact CG1-CD1 4.19Å; V358-F391 HydrophobicContact CG1-CD2 4.38Å; V358-F391 HydrophobicContact CG1-CG 4.02Å; V358-F391 HydrophobicContact CG2-CB 3.75Å; V358-F391 HydrophobicContact CG2-CD2 3.95Å; V358-F391 HydrophobicContact CG2-CG 4Å; L379-F391 HydrophobicContact CD1-CE1 4.33Å; P381-F391 HydrophobicContact CB-CD1 3.69Å; P381-F391 HydrophobicContact CB-CD2 4.31Å; P381-F391 HydrophobicContact CB-CE1 3.77Å; P381-F391 HydrophobicContact CB-CE2 4.39Å; P381-F391 HydrophobicContact CB-CG 3.97Å; P381-F391 HydrophobicContact CB-CZ 4.14Å; P381-F391 HydrophobicContact CG-CD1 4.07Å; P381-F391 HydrophobicContact CG-CE1 3.6Å; P381-F391 HydrophobicContact CG-CE2 4.34Å; P381-F391 HydrophobicContact CG-CZ 3.76Å; R389-F391 HydrophobicContact CB-CE2 4.06Å; R389-F391 HydrophobicContact CB-CZ 4.42Å; F391-D395 WeakPolarHBondContact CA-OD2 3.47Å; F391-D395 HydrophobicContact CB-CB 3.99Å; F391-D395 HydrophobicContact CD1-CB 3.96Å; F391-D395 HydrophobicContact CG-CB 4.47Å; F391-I399 HydrophobicContact CD1-CD1 4.14Å; F391-I399 HydrophobicContact CE1-CD1 4.49Å
392	D	68.3	Low	64.3	Low	54 Å²	54	63.5 Å²	63.5	29%	0.289	30%	0.303	S	S	.	.			trans	-87.4	-178.4	173.4	59.5	30.9	0	0	0	111.2	Q382 E394 D395 I396	Q382-D392 PolarHBondContact NE2-OD2 3.16Å; D392-E394 PolarHBondContact O-N 3.33Å; D392-E394 WeakPolarHBondContact OD1-CA 3.5Å; D392-E394 VanDerWaalsContact OD1-CB 3.31Å; D392-E394 WeakPolarHBondContact OD1-CB 3.12Å; D392-E394 PolarHBondContact OD1-N 3.11Å; D392-D395 PolarHBondContact N-OD2 3.15Å; D392-D395 VanDerWaalsContact N-OD2 3.14Å; D392-D395 WeakPolarHBondContact O-CB 3.34Å; D392-D395 PolarHBondContact O-N 3.11Å; D392-D395 PolarHBondContact OD1-N 3.32Å; D392-I396 WeakPolarHBondContact O-CG1 3.27Å; D392-I396 PolarHBondContact O-N 2.86Å
393	E	64	Low	65	Low	99 Å²	99	60.8 Å²	60.8	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-26.7	177.8	-76.1	-65.7	160.1	0	0	112.8	R361 I396 Q397	R361-E393 IonicContact CZ-OE1 3.24Å; R361-E393 VanDerWaalsContact CZ-OE1 3.24Å; R361-E393 IonicContact CZ-OE2 3.67Å; R361-E393 IonicContact NH1-OE1 2.94Å; R361-E393 PolarHBondContact NH1-OE1 3.34Å; R361-E393 IonicContact NH1-OE2 2.97Å; R361-E393 IonicContact NH2-OE1 3.99Å; R361-E393 PolarHBondContact NH2-OE1 3.09Å; R361-E393 IonicContact NH2-OE2 2.9Å; R361-E393 PolarHBondContact NH2-OE2 3.42Å; R361-E393 VanDerWaalsContact NH2-OE2 3.14Å; E393-I396 PolarHBondContact O-N 3.37Å; E393-Q397 WeakPolarHBondContact O-CG 3.49Å; E393-Q397 PolarHBondContact O-N 2.87Å
394	E	67.2	Low	66	Low	145 Å²	145	60.4 Å²	60.4	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-71.5	-41.2	175.7	-167.2	-179.4	171.7	0	0	110.4	D392 I396 Q397 R398	D392-E394 PolarHBondContact O-N 3.33Å; D392-E394 WeakPolarHBondContact OD1-CA 3.5Å; D392-E394 VanDerWaalsContact OD1-CB 3.31Å; D392-E394 WeakPolarHBondContact OD1-CB 3.12Å; D392-E394 PolarHBondContact OD1-N 3.11Å; E394-I396 VanDerWaalsContact C-N 3.31Å; E394-I396 PolarHBondContact O-N 3.18Å; E394-Q397 PolarHBondContact O-N 3.24Å; E394-R398 VanDerWaalsContact O-CB 3.28Å; E394-R398 WeakPolarHBondContact O-CB 3.29Å; E394-R398 PolarHBondContact O-N 3.01Å
395	D	75.3	Confident	67.3	Low	13 Å²	13	63.1 Å²	63.1	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-41.4	171.1	-74.3	-57	0	0	0	111.7	P381 F391 D392 R398 I399	P381-D395 WeakPolarHBondContact CA-OD2 3.39Å; F391-D395 WeakPolarHBondContact CA-OD2 3.47Å; F391-D395 HydrophobicContact CB-CB 3.99Å; F391-D395 HydrophobicContact CD1-CB 3.96Å; F391-D395 HydrophobicContact CG-CB 4.47Å; D392-D395 PolarHBondContact N-OD2 3.15Å; D392-D395 VanDerWaalsContact N-OD2 3.14Å; D392-D395 WeakPolarHBondContact O-CB 3.34Å; D392-D395 PolarHBondContact O-N 3.11Å; D392-D395 PolarHBondContact OD1-N 3.32Å; D395-R398 PolarHBondContact O-N 3.39Å; D395-I399 WeakPolarHBondContact O-CB 3.38Å; D395-I399 WeakPolarHBondContact O-CD1 3.32Å; D395-I399 WeakPolarHBondContact O-CG1 3.25Å; D395-I399 PolarHBondContact O-N 3.36Å
396	I	73.9	Confident	69.3	Low	19 Å²	19	60.1 Å²	60.1	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-47.4	176.7	-68.7	174	0	0	0	111.1	D392 E393 E394 R398 I399 E400	D392-I396 WeakPolarHBondContact O-CG1 3.27Å; D392-I396 PolarHBondContact O-N 2.86Å; E393-I396 PolarHBondContact O-N 3.37Å; E394-I396 VanDerWaalsContact C-N 3.31Å; E394-I396 PolarHBondContact O-N 3.18Å; I396-R398 VanDerWaalsContact C-N 3.26Å; I396-R398 PolarHBondContact O-N 2.98Å; I396-I399 WeakPolarHBondContact O-CB 3.11Å; I396-I399 PolarHBondContact O-N 2.69Å; I396-I399 VanDerWaalsContact O-N 3.16Å; I396-E400 PolarHBondContact O-N 3.17Å
397	Q	73.9	Confident	71	Confident	134 Å²	134	63.5 Å²	63.5	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-59.9	-40	175.2	-74.7	179.7	11.6	0	0	111.7	E393 E394 I399 E400 E401	E393-Q397 WeakPolarHBondContact O-CG 3.49Å; E393-Q397 PolarHBondContact O-N 2.87Å; E394-Q397 PolarHBondContact O-N 3.24Å; Q397-I399 VanDerWaalsContact C-N 3.34Å; Q397-E400 PolarHBondContact O-N 2.84Å; Q397-E401 PolarHBondContact O-N 3.43Å
398	R	81.2	Confident	72.3	Confident	55 Å²	55	67.9 Å²	67.9	21%	0.208	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-36.9	177.2	-167.5	160.1	-176.6	101.5	-8.4	112	L378 L379 E394 D395 I396 E401 I402	L378-R398 PolarHBondContact O-NE 3.23Å; L379-R398 HydrophobicContact CD2-CB 4.23Å; L379-R398 HydrophobicContact CD2-CG 4.1Å; E394-R398 VanDerWaalsContact O-CB 3.28Å; E394-R398 WeakPolarHBondContact O-CB 3.29Å; E394-R398 PolarHBondContact O-N 3.01Å; D395-R398 PolarHBondContact O-N 3.39Å; I396-R398 VanDerWaalsContact C-N 3.26Å; I396-R398 PolarHBondContact O-N 2.98Å; R398-E401 PolarHBondContact O-N 2.77Å; R398-I402 HydrophobicContact CG-CD1 4.39Å; R398-I402 WeakPolarHBondContact O-CD1 3.46Å; R398-I402 WeakPolarHBondContact O-CG1 3.46Å; R398-I402 PolarHBondContact O-N 3.14Å
399	I	82.7	Confident	73.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-47.1	172.6	-71.4	160.6	0	0	0	110.5	V358 C362 I364 L369 W372 L379 F391 D395 I396 Q397 E401 I402 K403	V358-I399 HydrophobicContact CG1-CD1 3.53Å; C362-I399 HydrophobicContact CB-CG2 3.52Å; I364-I399 HydrophobicContact CD1-CG2 3.24Å; L369-I399 HydrophobicContact CD2-CD1 3.54Å; L369-I399 HydrophobicContact CD2-CG1 3.81Å; L369-I399 HydrophobicContact CD2-CG2 4.3Å; W372-I399 HydrophobicContact CZ3-CG2 4.24Å; L379-I399 HydrophobicContact CD1-CD1 4.17Å; L379-I399 HydrophobicContact CD1-CG1 3.63Å; L379-I399 HydrophobicContact CD2-CG1 3.66Å; L379-I399 HydrophobicContact CG-CG1 4.29Å; F391-I399 HydrophobicContact CD1-CD1 4.14Å; F391-I399 HydrophobicContact CE1-CD1 4.49Å; D395-I399 WeakPolarHBondContact O-CB 3.38Å; D395-I399 WeakPolarHBondContact O-CD1 3.32Å; D395-I399 WeakPolarHBondContact O-CG1 3.25Å; D395-I399 PolarHBondContact O-N 3.36Å; I396-I399 WeakPolarHBondContact O-CB 3.11Å; I396-I399 PolarHBondContact O-N 2.69Å; I396-I399 VanDerWaalsContact O-N 3.16Å; Q397-I399 VanDerWaalsContact C-N 3.34Å; I399-E401 VanDerWaalsContact C-N 3.33Å; I399-E401 PolarHBondContact O-N 2.94Å; I399-I402 PolarHBondContact O-N 3.49Å; I399-K403 WeakPolarHBondContact O-CG 3.2Å; I399-K403 PolarHBondContact O-N 3.11Å
400	E	78.7	Confident	73.5	Confident	75 Å²	75	68.3 Å²	68.3	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-37	176.3	-71.7	-55.9	140.3	0	0	112.6	C362 I396 Q397 K403 R404	C362-E400 WeakPolarHBondContact CA-OE1 3.46Å; I396-E400 PolarHBondContact O-N 3.17Å; Q397-E400 PolarHBondContact O-N 2.84Å; E400-K403 VanDerWaalsContact CD-NZ 3.28Å; E400-K403 WeakPolarHBondContact O-CB 3.35Å; E400-K403 PolarHBondContact O-N 3.45Å; E400-K403 IonicContact OE1-NZ 3.62Å; E400-K403 PolarHBondContact OE1-NZ 3.41Å; E400-K403 WeakPolarHBondContact OE2-CD 3.41Å; E400-K403 WeakPolarHBondContact OE2-CE 3.47Å; E400-K403 IonicContact OE2-NZ 2.74Å; E400-K403 PolarHBondContact OE2-NZ 3.47Å; E400-R404 PolarHBondContact O-N 2.91Å
401	E	79.1	Confident	74.2	Confident	60 Å²	60	68 Å²	68	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-40.4	176.1	-167.7	169.9	-148.7	0	0	112.4	Q397 R398 I399 K403 R404 W405 L419	Q397-E401 PolarHBondContact O-N 3.43Å; R398-E401 PolarHBondContact O-N 2.77Å; I399-E401 VanDerWaalsContact C-N 3.33Å; I399-E401 PolarHBondContact O-N 2.94Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 2.93Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 IonicContact OE1-NH2 2.79Å; E401-W405 PolarHBondContact O-N 2.89Å; E401-W405 VanDerWaalsContact O-N 3.08Å; E401-L419 HydrophobicContact CB-CD2 4.42Å; E401-L419 HydrophobicContact CG-CD2 3.86Å; E401-L419 VanDerWaalsContact OE2-CD2 3.26Å; E401-L419 WeakPolarHBondContact OE2-CD2 3.44Å
402	I	83	Confident	74.8	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-43.9	173	-64.5	157	0	0	0	110.3	W372 L378 L379 R398 I399 R404 W405 I406 V415 L419	W372-I402 HydrophobicContact CD2-CG2 3.81Å; W372-I402 HydrophobicContact CE3-CB 3.98Å; W372-I402 HydrophobicContact CE3-CD1 3.86Å; W372-I402 HydrophobicContact CE3-CG2 3.49Å; W372-I402 VanDerWaalsContact CE3-CG2 3.49Å; W372-I402 HydrophobicContact CH2-CB 4.05Å; W372-I402 HydrophobicContact CH2-CG2 3.45Å; W372-I402 VanDerWaalsContact CH2-CG2 3.45Å; W372-I402 HydrophobicContact CZ2-CG2 3.79Å; W372-I402 HydrophobicContact CZ3-CB 3.57Å; W372-I402 HydrophobicContact CZ3-CD1 4.21Å; W372-I402 HydrophobicContact CZ3-CG2 3.29Å; L378-I402 HydrophobicContact CB-CD1 3.72Å; L378-I402 HydrophobicContact CB-CG1 4.47Å; L378-I402 HydrophobicContact CD1-CD1 4.44Å; L378-I402 HydrophobicContact CD1-CG2 4.09Å; L379-I402 HydrophobicContact CD2-CD1 3.8Å; L379-I402 HydrophobicContact CG-CD1 4.03Å; R398-I402 HydrophobicContact CG-CD1 4.39Å; R398-I402 WeakPolarHBondContact O-CD1 3.46Å; R398-I402 WeakPolarHBondContact O-CG1 3.46Å; R398-I402 PolarHBondContact O-N 3.14Å; I399-I402 PolarHBondContact O-N 3.49Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 3.22Å; I402-W405 PolarHBondContact O-N 3.39Å; I402-I406 HydrophobicContact CG2-CD1 3.75Å; I402-I406 HydrophobicContact CG2-CG1 4.44Å; I402-I406 WeakPolarHBondContact O-CG1 3.37Å; I402-I406 PolarHBondContact O-N 3.07Å; I402-V415 HydrophobicContact CB-CG1 4.43Å; I402-V415 HydrophobicContact CG1-CG1 4.14Å; I402-V415 HydrophobicContact CG2-CG1 4.2Å; I402-L419 HydrophobicContact CD1-CD1 4.35Å; I402-L419 HydrophobicContact CG1-CD1 3.68Å
403	K	82	Confident	75.2	Confident	66 Å²	66	67.1 Å²	67.1	29%	0.287	36%	0.36	S	S	.	.	H	α-helix	trans	-56.7	-47.2	175.7	-72.9	169.8	63.4	-167.7	0	111.2	C362 I364 W372 I399 E400 E401 W405 I406 S407	C362-K403 WeakPolarHBondContact O-CD 3.4Å; C362-K403 VanDerWaalsContact O-CE 3.29Å; C362-K403 WeakPolarHBondContact O-CE 3.43Å; C362-K403 PolarHBondContact O-NZ 2.64Å; I364-K403 HydrophobicContact CD1-CD 3.48Å; I364-K403 VanDerWaalsContact CD1-CD 3.48Å; I364-K403 HydrophobicContact CD1-CG 3.56Å; I364-K403 HydrophobicContact CG1-CD 3.85Å; I364-K403 HydrophobicContact CG1-CG 4.06Å; W372-K403 HydrophobicContact CH2-CG 3.88Å; W372-K403 HydrophobicContact CZ3-CG 4.4Å; I399-K403 WeakPolarHBondContact O-CG 3.2Å; I399-K403 PolarHBondContact O-N 3.11Å; E400-K403 VanDerWaalsContact CD-NZ 3.28Å; E400-K403 WeakPolarHBondContact O-CB 3.35Å; E400-K403 PolarHBondContact O-N 3.45Å; E400-K403 IonicContact OE1-NZ 3.62Å; E400-K403 PolarHBondContact OE1-NZ 3.41Å; E400-K403 WeakPolarHBondContact OE2-CD 3.41Å; E400-K403 WeakPolarHBondContact OE2-CE 3.47Å; E400-K403 IonicContact OE2-NZ 2.74Å; E400-K403 PolarHBondContact OE2-NZ 3.47Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 2.93Å; K403-W405 VanDerWaalsContact C-N 3.32Å; K403-W405 PolarHBondContact O-N 2.97Å; K403-I406 PolarHBondContact O-N 3.19Å; K403-S407 PolarHBondContact O-N 2.97Å; K403-S407 PolarHBondContact O-OG 3.24Å
404	R	75.7	Confident	75.8	Confident	143 Å²	143	69.1 Å²	69.1	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-41.1	179.5	-169.9	178.1	70.5	161.5	-2.9	112.3	E400 E401 I402 S407 N408	E400-R404 PolarHBondContact O-N 2.91Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 IonicContact OE1-NH2 2.79Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 3.22Å; R404-S407 WeakPolarHBondContact CA-OG 3.27Å; R404-S407 PolarHBondContact O-OG 2.93Å; R404-N408 WeakPolarHBondContact O-CB 3.34Å; R404-N408 PolarHBondContact O-N 2.93Å; R404-N408 VanDerWaalsContact O-N 3.14Å; R404-N408 PolarHBondContact O-ND2 3.1Å; R404-N408 VanDerWaalsContact O-ND2 3.13Å
405	W	78.5	Confident	76.3	Confident	71 Å²	71	62.2 Å²	62.2	27%	0.269	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-42.1	176.4	-79.2	115.2	0	0	0	112.4	E401 I402 K403 N408 V410 V415 L418	E401-W405 PolarHBondContact O-N 2.89Å; E401-W405 VanDerWaalsContact O-N 3.08Å; I402-W405 PolarHBondContact O-N 3.39Å; K403-W405 VanDerWaalsContact C-N 3.32Å; K403-W405 PolarHBondContact O-N 2.97Å; W405-N408 PolarHBondContact O-N 3.23Å; W405-V410 HydrophobicContact CB-CB 4.42Å; W405-V410 HydrophobicContact CE3-CB 4.5Å; W405-V410 HydrophobicContact CE3-CG2 3.68Å; W405-V410 HydrophobicContact CZ3-CG2 4.24Å; W405-V410 VanDerWaalsContact O-CB 3.3Å; W405-V410 WeakPolarHBondContact O-CB 3.06Å; W405-V410 PolarHBondContact O-N 3.35Å; W405-V410 VanDerWaalsContact O-N 3.08Å; W405-V415 HydrophobicContact CB-CG1 4.11Å; W405-V415 HydrophobicContact CB-CG2 3.98Å; W405-V415 HydrophobicContact CG-CG1 4.34Å; W405-L418 HydrophobicContact CD2-CD1 4.14Å; W405-L418 HydrophobicContact CE3-CD1 3.97Å; W405-L418 HydrophobicContact CH2-CD1 4.32Å; W405-L418 HydrophobicContact CZ2-CB 4.45Å; W405-L418 HydrophobicContact CZ2-CD1 4.5Å; W405-L418 HydrophobicContact CZ3-CD1 4.06Å
406	I	79.1	Confident	76.5	Confident	61 Å²	61	65 Å²	65	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-67.7	-42.2	179	-66.1	168.7	0	0	0	111	W372 I402 K403 N408 G409 V412 V415	W372-I406 HydrophobicContact CH2-CD1 3.9Å; W372-I406 HydrophobicContact CZ2-CD1 3.24Å; I402-I406 HydrophobicContact CG2-CD1 3.75Å; I402-I406 HydrophobicContact CG2-CG1 4.44Å; I402-I406 WeakPolarHBondContact O-CG1 3.37Å; I402-I406 PolarHBondContact O-N 3.07Å; K403-I406 PolarHBondContact O-N 3.19Å; I406-N408 PolarHBondContact O-N 3.37Å; I406-G409 PolarHBondContact O-N 3.16Å; I406-V412 HydrophobicContact CD1-CB 4.15Å; I406-V412 HydrophobicContact CD1-CG2 3.79Å; I406-V412 HydrophobicContact CG1-CB 4.45Å; I406-V412 HydrophobicContact CG1-CG2 4.47Å; I406-V415 HydrophobicContact CG1-CG2 4.32Å
407	S	71.2	Confident	76.5	Confident	93 Å²	93	67 Å²	67	65%	0.65	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-29.9	176.5	66.2	0	0	0	0	112.3	K403 R404 G409	K403-S407 PolarHBondContact O-N 2.97Å; K403-S407 PolarHBondContact O-OG 3.24Å; R404-S407 WeakPolarHBondContact CA-OG 3.27Å; R404-S407 PolarHBondContact O-OG 2.93Å; S407-G409 PolarHBondContact O-N 3.34Å
408	N	69	Low	76.4	Confident	115 Å²	115	63.6 Å²	63.6	62%	0.615	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	9.8	173.7	-68.6	-21.8	0	0	0	113.8	R404 W405 I406	R404-N408 WeakPolarHBondContact O-CB 3.34Å; R404-N408 PolarHBondContact O-N 2.93Å; R404-N408 VanDerWaalsContact O-N 3.14Å; R404-N408 PolarHBondContact O-ND2 3.1Å; R404-N408 VanDerWaalsContact O-ND2 3.13Å; W405-N408 PolarHBondContact O-N 3.23Å; I406-N408 PolarHBondContact O-N 3.37Å
409	G	63.9	Low	75.8	Confident	64 Å²	64	61 Å²	61	66%	0.66	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	10.1	173.3	0	0	0	0	0	115.1	I406 S407 P411	I406-G409 PolarHBondContact O-N 3.16Å; S407-G409 PolarHBondContact O-N 3.34Å; G409-P411 WeakPolarHBondContact O-CD 3.38Å
410	V	66.9	Low	74.9	Confident	30 Å²	30	64.1 Å²	64.1	18%	0.182	36%	0.356	C	S	.	.			trans	-78.5	125.1	175.8	-178.7	0	0	0	0	110.2	W405 V412 K414 V415 L418	W405-V410 HydrophobicContact CB-CB 4.42Å; W405-V410 HydrophobicContact CE3-CB 4.5Å; W405-V410 HydrophobicContact CE3-CG2 3.68Å; W405-V410 HydrophobicContact CZ3-CG2 4.24Å; W405-V410 VanDerWaalsContact O-CB 3.3Å; W405-V410 WeakPolarHBondContact O-CB 3.06Å; W405-V410 PolarHBondContact O-N 3.35Å; W405-V410 VanDerWaalsContact O-N 3.08Å; V410-V412 PolarHBondContact O-N 2.91Å; V410-K414 HydrophobicContact CG1-CB 4.05Å; V410-V415 HydrophobicContact CB-CG2 4.47Å; V410-V415 HydrophobicContact CG1-CG2 3.94Å; V410-L418 HydrophobicContact CG1-CD1 3.84Å; V410-L418 HydrophobicContact CG2-CD1 4.4Å
411	P	76	Confident	73.6	Confident	82 Å²	82	65 Å²	65	53%	0.532	37%	0.367	S	S	.	.			trans	-61.6	134.3	174.8	-21.9	32.7	0	0	0	111.2	G409 G413 K414	G409-P411 WeakPolarHBondContact O-CD 3.38Å; P411-G413 PolarHBondContact O-N 2.94Å; P411-K414 PolarHBondContact O-N 2.98Å
412	V	80.5	Confident	72.3	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.176	38%	0.377	C	S	.	.	H	α-helix	trans	-53.6	-31.6	-172.8	75.8	0	0	0	0	114.2	Y376 L378 I406 V410 K414 V415	Y376-V412 HydrophobicContact CD1-CG1 4.06Å; Y376-V412 HydrophobicContact CD2-CG1 3.99Å; Y376-V412 HydrophobicContact CD2-CG2 4.16Å; Y376-V412 HydrophobicContact CE1-CG1 3.61Å; Y376-V412 HydrophobicContact CE2-CG1 3.51Å; Y376-V412 HydrophobicContact CE2-CG2 4.37Å; Y376-V412 HydrophobicContact CG-CG1 4.24Å; Y376-V412 HydrophobicContact CG-CG2 4.43Å; L378-V412 HydrophobicContact CD1-CG2 3.62Å; I406-V412 HydrophobicContact CD1-CB 4.15Å; I406-V412 HydrophobicContact CD1-CG2 3.79Å; I406-V412 HydrophobicContact CG1-CB 4.45Å; I406-V412 HydrophobicContact CG1-CG2 4.47Å; V410-V412 PolarHBondContact O-N 2.91Å; V412-K414 VanDerWaalsContact C-N 3.25Å; V412-K414 PolarHBondContact O-N 3.07Å; V412-V415 PolarHBondContact O-N 3.46Å
413	G	76.6	Confident	70.5	Confident	55 Å²	55	68.2 Å²	68.2	57%	0.567	39%	0.393	S	S	*	.	H	α-helix	trans	-68.2	-16.6	176.3	0	0	0	0	0	115.2	P411	P411-G413 PolarHBondContact O-N 2.94Å
414	K	77.1	Confident	68.4	Low	142 Å²	142	71.9 Å²	71.9	62%	0.617	41%	0.411	S	S	*	.	H	α-helix	trans	-95.8	-15.6	175.4	-67.3	-171.2	176.7	-176.1	0	113.3	V410 P411 V412 K416 A417	V410-K414 HydrophobicContact CG1-CB 4.05Å; P411-K414 PolarHBondContact O-N 2.98Å; V412-K414 VanDerWaalsContact C-N 3.25Å; V412-K414 PolarHBondContact O-N 3.07Å; K414-K416 VanDerWaalsContact C-N 3.26Å; K414-K416 PolarHBondContact O-N 3.32Å; K414-A417 PolarHBondContact O-N 3.03Å
415	V	78.5	Confident	66.8	Low	0 Å²	0	70.5 Å²	70.5	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-63.1	-35.1	-176	179.3	0	0	0	0	111.3	L378 I402 W405 I406 V410 V412 A417 L418 L419	L378-V415 HydrophobicContact CD2-CB 4.01Å; L378-V415 HydrophobicContact CD2-CG1 4.09Å; I402-V415 HydrophobicContact CB-CG1 4.43Å; I402-V415 HydrophobicContact CG1-CG1 4.14Å; I402-V415 HydrophobicContact CG2-CG1 4.2Å; W405-V415 HydrophobicContact CB-CG1 4.11Å; W405-V415 HydrophobicContact CB-CG2 3.98Å; W405-V415 HydrophobicContact CG-CG1 4.34Å; I406-V415 HydrophobicContact CG1-CG2 4.32Å; V410-V415 HydrophobicContact CB-CG2 4.47Å; V410-V415 HydrophobicContact CG1-CG2 3.94Å; V412-V415 PolarHBondContact O-N 3.46Å; V415-A417 PolarHBondContact O-N 2.97Å; V415-L418 PolarHBondContact O-N 3.35Å; V415-L418 VanDerWaalsContact O-N 3.14Å; V415-L419 HydrophobicContact CG1-CD1 3.76Å; V415-L419 HydrophobicContact CG1-CG 4.02Å; V415-L419 WeakPolarHBondContact O-CG 3.29Å; V415-L419 PolarHBondContact O-N 3.29Å
416	K	79.6	Confident	65.6	Low	71 Å²	71	69.8 Å²	69.8	31%	0.309	42%	0.418	S	S	.	.	H	α-helix	trans	-57.4	-47.8	-179.9	-171.6	178.9	175.8	176.1	0	112.4	Y376 L378 K414 L418 L419 E420	Y376-K416 WeakPolarHBondContact O-CD 3.42Å; L378-K416 VanDerWaalsContact CD2-CA 3.43Å; L378-K416 HydrophobicContact CD2-CB 3.55Å; L378-K416 HydrophobicContact CD2-CG 4.31Å; L378-K416 VanDerWaalsContact CD2-N 3.27Å; K414-K416 VanDerWaalsContact C-N 3.26Å; K414-K416 PolarHBondContact O-N 3.32Å; K416-L418 VanDerWaalsContact C-N 3.29Å; K416-L418 PolarHBondContact O-N 3.25Å; K416-L419 PolarHBondContact O-N 2.96Å; K416-E420 VanDerWaalsContact CE-CD 3.45Å; K416-E420 WeakPolarHBondContact CE-OE1 3.44Å; K416-E420 HydrophobicContact CG-CG 4.28Å; K416-E420 IonicContact NZ-OE1 3.19Å; K416-E420 WeakPolarHBondContact O-CB 3.42Å; K416-E420 WeakPolarHBondContact O-CG 3.39Å; K416-E420 PolarHBondContact O-N 3.4Å
417	A	72.3	Confident	64.1	Low	60 Å²	60	74.1 Å²	74.1	50%	0.496	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-36.5	179.3	0	0	0	0	0	111.9	K414 V415 T421	K414-A417 PolarHBondContact O-N 3.03Å; V415-A417 PolarHBondContact O-N 2.97Å; A417-T421 WeakPolarHBondContact O-CB 3.49Å; A417-T421 PolarHBondContact O-N 3.12Å; A417-T421 PolarHBondContact O-OG1 3.44Å
418	L	71.9	Confident	63.5	Low	63 Å²	63	76 Å²	76	33%	0.33	44%	0.44	S	S	.	.	H	α-helix	trans	-69.3	-40.6	178	-65.3	170.6	0	0	0	112.2	W405 V410 V415 K416 T422	W405-L418 HydrophobicContact CD2-CD1 4.14Å; W405-L418 HydrophobicContact CE3-CD1 3.97Å; W405-L418 HydrophobicContact CH2-CD1 4.32Å; W405-L418 HydrophobicContact CZ2-CB 4.45Å; W405-L418 HydrophobicContact CZ2-CD1 4.5Å; W405-L418 HydrophobicContact CZ3-CD1 4.06Å; V410-L418 HydrophobicContact CG1-CD1 3.84Å; V410-L418 HydrophobicContact CG2-CD1 4.4Å; V415-L418 PolarHBondContact O-N 3.35Å; V415-L418 VanDerWaalsContact O-N 3.14Å; K416-L418 VanDerWaalsContact C-N 3.29Å; K416-L418 PolarHBondContact O-N 3.25Å; L418-T422 PolarHBondContact O-OG1 2.81Å
419	L	69.7	Low	63.6	Low	0 Å²	0	72 Å²	72	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-69.4	-42.4	175.7	-65.4	171.6	0	0	0	112	L378 E401 I402 V415 K416 T422 S423	L378-L419 HydrophobicContact CD2-CD1 4.19Å; E401-L419 HydrophobicContact CB-CD2 4.42Å; E401-L419 HydrophobicContact CG-CD2 3.86Å; E401-L419 VanDerWaalsContact OE2-CD2 3.26Å; E401-L419 WeakPolarHBondContact OE2-CD2 3.44Å; I402-L419 HydrophobicContact CD1-CD1 4.35Å; I402-L419 HydrophobicContact CG1-CD1 3.68Å; V415-L419 HydrophobicContact CG1-CD1 3.76Å; V415-L419 HydrophobicContact CG1-CG 4.02Å; V415-L419 WeakPolarHBondContact O-CG 3.29Å; V415-L419 PolarHBondContact O-N 3.29Å; K416-L419 PolarHBondContact O-N 2.96Å; L419-T422 WeakPolarHBondContact O-CB 3.46Å; L419-T422 PolarHBondContact O-N 2.77Å; L419-T422 VanDerWaalsContact O-N 3.09Å; L419-S423 PolarHBondContact O-N 3.07Å; L419-S423 VanDerWaalsContact O-N 3.13Å; L419-S423 PolarHBondContact O-OG 3.3Å
420	E	63.3	Low	64.7	Low	67 Å²	67	70.2 Å²	70.2	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-34.4	-180	-73.1	177.2	161	0	0	112.5	K416 T422 S423 Q424	K416-E420 VanDerWaalsContact CE-CD 3.45Å; K416-E420 WeakPolarHBondContact CE-OE1 3.44Å; K416-E420 HydrophobicContact CG-CG 4.28Å; K416-E420 IonicContact NZ-OE1 3.19Å; K416-E420 WeakPolarHBondContact O-CB 3.42Å; K416-E420 WeakPolarHBondContact O-CG 3.39Å; K416-E420 PolarHBondContact O-N 3.4Å; E420-T422 PolarHBondContact O-N 2.77Å; E420-S423 PolarHBondContact O-N 3.36Å; E420-Q424 PolarHBondContact O-N 3.14Å
421	T	51.9	Low	65.4	Low	92 Å²	92	71.8 Å²	71.8	56%	0.564	40%	0.404	S	S	*	.	H	α-helix	trans	-64	-19.1	171.7	-49.1	0	0	0	0	111.8	A417	A417-T421 WeakPolarHBondContact O-CB 3.49Å; A417-T421 PolarHBondContact O-N 3.12Å; A417-T421 PolarHBondContact O-OG1 3.44Å
422	T	50.7	Low	65.9	Low	80 Å²	80	75.5 Å²	75.5	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-94.4	-25.9	178.6	-48.4	0	0	0	0	112.2	L418 L419 E420 T426	L418-T422 PolarHBondContact O-OG1 2.81Å; L419-T422 WeakPolarHBondContact O-CB 3.46Å; L419-T422 PolarHBondContact O-N 2.77Å; L419-T422 VanDerWaalsContact O-N 3.09Å; E420-T422 PolarHBondContact O-N 2.77Å; T422-T426 VanDerWaalsContact O-CG2 3.27Å; T422-T426 WeakPolarHBondContact O-CG2 3.29Å; T422-T426 PolarHBondContact O-OG1 3.4Å
423	S	45.6	Very low	66.4	Low	48 Å²	48	74.2 Å²	74.2	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-101.6	-34.8	-174.8	-51.3	0	0	0	0	115.5	L419 E420 T426	L419-S423 PolarHBondContact O-N 3.07Å; L419-S423 VanDerWaalsContact O-N 3.13Å; L419-S423 PolarHBondContact O-OG 3.3Å; E420-S423 PolarHBondContact O-N 3.36Å; S423-T426 PolarHBondContact O-N 3.44Å; S423-T426 PolarHBondContact O-OG1 3.4Å
424	Q	38.9	Very low	67.1	Low	144 Å²	144	73.2 Å²	73.2	67%	0.673	38%	0.38	S	S	*	.	H	α-helix	trans	-76.1	-30.1	178.7	-86.8	180	-37.6	0	0	112.7	E420 T426	E420-Q424 PolarHBondContact O-N 3.14Å; Q424-T426 PolarHBondContact O-N 3.04Å
425	D	42.4	Very low	67.7	Low	113 Å²	113	70.4 Å²	70.4	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-71.3	-12.3	173.4	-80.1	-23.7	0	0	0	112.3	D429	D425-D429 WeakPolarHBondContact O-CB 3.37Å
426	T	51.6	Low	68.2	Low	57 Å²	57	73.9 Å²	73.9	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-99.7	-44	-176	54.1	0	0	0	0	114.4	T422 S423 Q424 D429 W430	T422-T426 VanDerWaalsContact O-CG2 3.27Å; T422-T426 WeakPolarHBondContact O-CG2 3.29Å; T422-T426 PolarHBondContact O-OG1 3.4Å; S423-T426 PolarHBondContact O-N 3.44Å; S423-T426 PolarHBondContact O-OG1 3.4Å; Q424-T426 PolarHBondContact O-N 3.04Å; T426-D429 PolarHBondContact O-N 2.89Å; T426-W430 PolarHBondContact O-N 3.4Å; T426-W430 PolarHBondContact O-NE1 3.32Å
427	E	49.5	Very low	68.7	Low	151 Å²	151	70.6 Å²	70.6	71%	0.706	37%	0.371	S	S	*	.	H	α-helix	trans	-71	-41	-178.6	-83.1	-169.2	151.7	0	0	113.7	D429 W430 S431	E427-D429 PolarHBondContact O-N 3.29Å; E427-W430 PolarHBondContact O-N 3.37Å; E427-S431 PolarHBondContact O-N 3.43Å; E427-S431 VanDerWaalsContact O-N 3.12Å; E427-S431 PolarHBondContact O-OG 3.08Å; E427-S431 VanDerWaalsContact O-OG 3.14Å
428	D	57.5	Low	69.5	Low	133 Å²	133	68.2 Å²	68.2	71%	0.711	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-32.2	173	-107.5	-8.9	0	0	0	110.6	R432	D428-R432 WeakPolarHBondContact O-CB 3.42Å; D428-R432 PolarHBondContact O-N 3.11Å
429	D	72.1	Confident	70.2	Confident	30 Å²	30	68 Å²	68	16%	0.16	35%	0.353	C	S	.	.	H	α-helix	trans	-72.9	-41.9	177.3	-160	15	0	0	0	112.1	D425 T426 E427 S431 R432 L433 Y460	D425-D429 WeakPolarHBondContact O-CB 3.37Å; T426-D429 PolarHBondContact O-N 2.89Å; E427-D429 PolarHBondContact O-N 3.29Å; D429-S431 PolarHBondContact O-N 2.85Å; D429-R432 WeakPolarHBondContact O-CB 3.43Å; D429-R432 PolarHBondContact O-N 2.9Å; D429-R432 IonicContact OD1-CZ 4Å; D429-R432 IonicContact OD1-NE 3.11Å; D429-R432 PolarHBondContact OD1-NE 2.91Å; D429-R432 IonicContact OD1-NH2 3.88Å; D429-R432 PolarHBondContact OD1-NH2 2.78Å; D429-R432 IonicContact OD2-NH2 2.69Å; D429-L433 WeakPolarHBondContact O-CB 3.08Å; D429-L433 VanDerWaalsContact O-CG 3.22Å; D429-L433 WeakPolarHBondContact O-CG 3.13Å; D429-L433 PolarHBondContact O-N 3.32Å; D429-Y460 PolarHBondContact OD2-OH 3.19Å
430	W	86.4	Confident	71.2	Confident	28 Å²	28	68.2 Å²	68.2	11%	0.106	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-45	174.3	-61	132.5	0	0	0	111.9	T426 E427 R432 L433 Q434 Y460 Q464 H468 V469	T426-W430 PolarHBondContact O-N 3.4Å; T426-W430 PolarHBondContact O-NE1 3.32Å; E427-W430 PolarHBondContact O-N 3.37Å; W430-R432 VanDerWaalsContact C-N 3.33Å; W430-R432 PolarHBondContact O-N 3.25Å; W430-L433 HydrophobicContact CE3-CD1 3.79Å; W430-L433 HydrophobicContact CZ3-CD1 3.93Å; W430-L433 PolarHBondContact O-N 3.3Å; W430-Q434 VanDerWaalsContact O-CG 3.3Å; W430-Q434 WeakPolarHBondContact O-CG 3.1Å; W430-Q434 PolarHBondContact O-N 2.89Å; W430-Y460 AromaticContact CH2-CD1 3.34Å; W430-Y460 HydrophobicContact CH2-CD1 3.34Å; W430-Y460 AromaticContact CH2-CE1 3.91Å; W430-Y460 HydrophobicContact CH2-CE1 3.91Å; W430-Y460 AromaticContact CH2-CG 3.9Å; W430-Y460 HydrophobicContact CH2-CG 3.9Å; W430-Y460 HydrophobicContact CZ2-CD1 4.39Å; W430-Y460 AromaticContact CZ3-CD1 3.65Å; W430-Y460 HydrophobicContact CZ3-CD1 3.65Å; W430-Y460 AromaticContact CZ3-CE1 3.99Å; W430-Y460 HydrophobicContact CZ3-CE1 3.99Å; W430-Y460 AromaticContact CZ3-CG 3.94Å; W430-Y460 HydrophobicContact CZ3-CG 3.94Å; W430-Q464 HydrophobicContact CH2-CB 3.83Å; W430-Q464 HydrophobicContact CZ2-CB 3.96Å; W430-Q464 HydrophobicContact CZ2-CG 4.47Å; W430-H468 HydrophobicContact CB-CB 4.21Å; W430-H468 HydrophobicContact CD2-CB 3.89Å; W430-H468 HydrophobicContact CE3-CB 4.29Å; W430-H468 HydrophobicContact CG-CB 3.82Å; W430-V469 HydrophobicContact CE3-CG2 3.69Å; W430-V469 HydrophobicContact CZ3-CG2 4.11Å
431	S	82.4	Confident	72.4	Confident	63 Å²	63	65 Å²	65	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.8	-61.4	0	0	0	0	111.6	E427 D429 Q434 E435	E427-S431 PolarHBondContact O-N 3.43Å; E427-S431 VanDerWaalsContact O-N 3.12Å; E427-S431 PolarHBondContact O-OG 3.08Å; E427-S431 VanDerWaalsContact O-OG 3.14Å; D429-S431 PolarHBondContact O-N 2.85Å; S431-Q434 PolarHBondContact O-N 2.82Å; S431-E435 PolarHBondContact O-N 3.12Å
432	R	86.5	Confident	74	Confident	159 Å²	159	66.8 Å²	66.8	60%	0.6	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-44.9	173.7	-179.3	178.2	73.1	169	4.9	111.9	D428 D429 W430 E435 E436	D428-R432 WeakPolarHBondContact O-CB 3.42Å; D428-R432 PolarHBondContact O-N 3.11Å; D429-R432 WeakPolarHBondContact O-CB 3.43Å; D429-R432 PolarHBondContact O-N 2.9Å; D429-R432 IonicContact OD1-CZ 4Å; D429-R432 IonicContact OD1-NE 3.11Å; D429-R432 PolarHBondContact OD1-NE 2.91Å; D429-R432 IonicContact OD1-NH2 3.88Å; D429-R432 PolarHBondContact OD1-NH2 2.78Å; D429-R432 IonicContact OD2-NH2 2.69Å; W430-R432 VanDerWaalsContact C-N 3.33Å; W430-R432 PolarHBondContact O-N 3.25Å; R432-E435 PolarHBondContact O-N 3.25Å; R432-E436 WeakPolarHBondContact O-CB 3.34Å; R432-E436 PolarHBondContact O-N 3.06Å
433	L	89.2	Confident	75.7	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-38.6	177.9	-70.8	177.1	0	0	0	112.1	D429 W430 E436 M437 L456 Y460 V469	D429-L433 WeakPolarHBondContact O-CB 3.08Å; D429-L433 VanDerWaalsContact O-CG 3.22Å; D429-L433 WeakPolarHBondContact O-CG 3.13Å; D429-L433 PolarHBondContact O-N 3.32Å; W430-L433 HydrophobicContact CE3-CD1 3.79Å; W430-L433 HydrophobicContact CZ3-CD1 3.93Å; W430-L433 PolarHBondContact O-N 3.3Å; L433-E436 PolarHBondContact O-N 3.36Å; L433-M437 WeakPolarHBondContact O-CB 3.33Å; L433-M437 PolarHBondContact O-N 2.93Å; L433-L456 HydrophobicContact CD1-CD2 4.2Å; L433-L456 HydrophobicContact CD2-CD2 3.83Å; L433-Y460 HydrophobicContact CD1-CD2 4.49Å; L433-Y460 HydrophobicContact CD1-CE1 4.45Å; L433-Y460 HydrophobicContact CD1-CE2 3.83Å; L433-V469 HydrophobicContact CB-CG2 4.31Å
434	Q	92.3	Very high	77.4	Confident	33 Å²	33	69.1 Å²	69.1	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-46.2	173.4	-69.5	175.1	26	0	0	111.5	W430 S431 M437 M438 H468 P472 V473	W430-Q434 VanDerWaalsContact O-CG 3.3Å; W430-Q434 WeakPolarHBondContact O-CG 3.1Å; W430-Q434 PolarHBondContact O-N 2.89Å; S431-Q434 PolarHBondContact O-N 2.82Å; Q434-M437 PolarHBondContact O-N 2.85Å; Q434-M438 WeakPolarHBondContact O-CB 3.48Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.87Å; Q434-H468 PolarHBondContact NE2-O 3.25Å; Q434-P472 HydrophobicContact CG-CB 4.47Å; Q434-V473 HydrophobicContact CB-CG2 4Å; Q434-V473 HydrophobicContact CG-CG2 4.08Å
435	E	88.5	Confident	79.7	Confident	84 Å²	84	65.5 Å²	65.5	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-38.9	177	-76.7	-54.1	144.5	0	0	112.8	S431 R432 M438 S439 R442 R476	S431-E435 PolarHBondContact O-N 3.12Å; R432-E435 PolarHBondContact O-N 3.25Å; E435-M438 PolarHBondContact O-N 3.22Å; E435-S439 WeakPolarHBondContact O-CB 3.38Å; E435-S439 PolarHBondContact O-N 2.83Å; E435-R442 IonicContact OE2-NH2 3.4Å; E435-R476 IonicContact OE1-CZ 3.29Å; E435-R476 IonicContact OE1-NH1 3.82Å; E435-R476 PolarHBondContact OE1-NH1 2.84Å; E435-R476 IonicContact OE1-NH2 3.72Å; E435-R476 PolarHBondContact OE1-NH2 3.03Å; E435-R476 IonicContact OE2-NH2 2.91Å
436	E	89	Confident	82	Confident	72 Å²	72	62.9 Å²	62.9	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-46.7	174.3	-165.9	-166.2	155.1	0	0	110.9	R432 L433 M438 S439 I440 R452	R432-E436 WeakPolarHBondContact O-CB 3.34Å; R432-E436 PolarHBondContact O-N 3.06Å; L433-E436 PolarHBondContact O-N 3.36Å; E436-M438 PolarHBondContact O-N 2.91Å; E436-S439 VanDerWaalsContact O-CB 3.31Å; E436-S439 WeakPolarHBondContact O-CB 3.14Å; E436-S439 PolarHBondContact O-N 2.92Å; E436-S439 VanDerWaalsContact O-N 3.15Å; E436-I440 HydrophobicContact CG-CD1 4.44Å; E436-I440 WeakPolarHBondContact O-CG1 3.23Å; E436-I440 PolarHBondContact O-N 2.89Å; E436-R452 IonicContact OE1-CZ 2.87Å; E436-R452 IonicContact OE1-NE 2.63Å; E436-R452 PolarHBondContact OE1-NE 3.4Å; E436-R452 IonicContact OE1-NH2 3.68Å; E436-R452 IonicContact OE2-CZ 2.85Å; E436-R452 IonicContact OE2-NE 3.22Å; E436-R452 PolarHBondContact OE2-NE 3.43Å; E436-R452 IonicContact OE2-NH2 3.85Å; E436-R452 PolarHBondContact OE2-NH2 3.32Å
437	M	90.6	Very high	83.9	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-46.3	177.3	-168.9	60.8	65.6	0	0	111.4	L433 Q434 S439 I440 L441 L449 R452 I453 L456 Y470 V473 F491	L433-M437 WeakPolarHBondContact O-CB 3.33Å; L433-M437 PolarHBondContact O-N 2.93Å; Q434-M437 PolarHBondContact O-N 2.85Å; M437-S439 VanDerWaalsContact C-N 3.28Å; M437-S439 PolarHBondContact O-N 2.77Å; M437-I440 PolarHBondContact O-N 2.89Å; M437-L441 HydrophobicContact CG-CD1 4.2Å; M437-L441 VanDerWaalsContact O-CG 3.32Å; M437-L441 WeakPolarHBondContact O-CG 3.42Å; M437-L441 PolarHBondContact O-N 2.86Å; M437-L449 HydrophobicContact SD-CD1 3.4Å; M437-L449 WeakPolarHBondContact SD-CD1 3.29Å; M437-R452 HydrophobicContact CE-CG 4.16Å; M437-I453 HydrophobicContact CE-CG1 4.34Å; M437-L456 HydrophobicContact CE-CD1 3.48Å; M437-L456 VanDerWaalsContact CE-CD1 3.48Å; M437-Y470 HydrophobicContact CE-CE1 4.34Å; M437-V473 HydrophobicContact CB-CG1 4.44Å; M437-V473 HydrophobicContact CB-CG2 4.03Å; M437-V473 HydrophobicContact CG-CG1 3.91Å; M437-V473 HydrophobicContact CG-CG2 4.18Å; M437-F491 HydrophobicContact CG-CE2 4.17Å; M437-F491 HydrophobicContact CG-CZ 4.12Å; M437-F491 HydrophobicContact SD-CE2 4.02Å
438	M	88.9	Confident	86	Confident	11 Å²	11	60.4 Å²	60.4	5%	0.054	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-39.4	174.6	-73.9	-63.6	-68.4	0	0	111.8	Q434 E435 E436 L441 R442 V473 R476 L477	Q434-M438 WeakPolarHBondContact O-CB 3.48Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.87Å; E435-M438 PolarHBondContact O-N 3.22Å; E436-M438 PolarHBondContact O-N 2.91Å; M438-L441 PolarHBondContact O-N 2.79Å; M438-L441 HydrophobicContact SD-CD1 4.48Å; M438-R442 WeakPolarHBondContact O-CB 3.47Å; M438-R442 VanDerWaalsContact O-CG 3.29Å; M438-R442 WeakPolarHBondContact O-CG 3.24Å; M438-R442 PolarHBondContact O-N 3.3Å; M438-R442 PolarHBondContact O-NE 2.88Å; M438-V473 HydrophobicContact CG-CG1 4.41Å; M438-V473 HydrophobicContact SD-CG1 3.87Å; M438-R476 HydrophobicContact CE-CB 4.45Å; M438-R476 HydrophobicContact SD-CB 4.37Å; M438-L477 HydrophobicContact CE-CD2 3.95Å; M438-L477 HydrophobicContact SD-CD2 3.92Å; M438-L477 HydrophobicContact SD-CG 4.08Å
439	S	87.9	Confident	87.7	Confident	57 Å²	57	54.1 Å²	54.1	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-45.5	175.4	-168.1	0	0	0	0	112.2	E435 E436 M437 L441 R442 M443	E435-S439 WeakPolarHBondContact O-CB 3.38Å; E435-S439 PolarHBondContact O-N 2.83Å; E436-S439 VanDerWaalsContact O-CB 3.31Å; E436-S439 WeakPolarHBondContact O-CB 3.14Å; E436-S439 PolarHBondContact O-N 2.92Å; E436-S439 VanDerWaalsContact O-N 3.15Å; M437-S439 VanDerWaalsContact C-N 3.28Å; M437-S439 PolarHBondContact O-N 2.77Å; S439-L441 VanDerWaalsContact C-N 3.35Å; S439-L441 PolarHBondContact O-N 3Å; S439-R442 PolarHBondContact O-N 2.71Å; S439-M443 WeakPolarHBondContact O-CG 3.5Å; S439-M443 PolarHBondContact O-N 3.27Å
440	I	89.4	Confident	88.7	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-42.4	177.3	-66.2	167.1	0	0	0	111.1	E436 M437 M443 K448 L449 R452	E436-I440 HydrophobicContact CG-CD1 4.44Å; E436-I440 WeakPolarHBondContact O-CG1 3.23Å; E436-I440 PolarHBondContact O-N 2.89Å; M437-I440 PolarHBondContact O-N 2.89Å; I440-M443 WeakPolarHBondContact O-CB 3.32Å; I440-M443 PolarHBondContact O-N 2.97Å; I440-K448 HydrophobicContact CG1-CD 4.47Å; I440-K448 HydrophobicContact CG2-CB 4.32Å; I440-K448 HydrophobicContact CG2-CG 4.21Å; I440-L449 HydrophobicContact CG2-CB 4Å; I440-L449 HydrophobicContact CG2-CD1 4.22Å; I440-R452 HydrophobicContact CD1-CB 3.78Å; I440-R452 HydrophobicContact CD1-CG 3.74Å
441	L	89.7	Confident	89	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-40.8	177.7	-72	167.8	0	0	0	112.1	M437 M438 S439 M443 A444 L449 V473 L477 M490 F491	M437-L441 HydrophobicContact CG-CD1 4.2Å; M437-L441 VanDerWaalsContact O-CG 3.32Å; M437-L441 WeakPolarHBondContact O-CG 3.42Å; M437-L441 PolarHBondContact O-N 2.86Å; M438-L441 PolarHBondContact O-N 2.79Å; M438-L441 HydrophobicContact SD-CD1 4.48Å; S439-L441 VanDerWaalsContact C-N 3.35Å; S439-L441 PolarHBondContact O-N 3Å; L441-M443 PolarHBondContact O-N 3.24Å; L441-A444 PolarHBondContact O-N 3.47Å; L441-L449 HydrophobicContact CD2-CD1 3.86Å; L441-L449 HydrophobicContact CD2-CD2 3.64Å; L441-L449 HydrophobicContact CD2-CG 4.39Å; L441-L449 HydrophobicContact CG-CD1 4.23Å; L441-V473 HydrophobicContact CD1-CG1 3.66Å; L441-L477 HydrophobicContact CD1-CD1 3.64Å; L441-L477 HydrophobicContact CD1-CD2 4.31Å; L441-L477 HydrophobicContact CD1-CG 4.39Å; L441-M490 HydrophobicContact CD2-CE 3.79Å; L441-F491 HydrophobicContact CD1-CB 4.44Å; L441-F491 HydrophobicContact CD1-CD1 4.28Å; L441-F491 HydrophobicContact CD1-CD2 4.45Å; L441-F491 HydrophobicContact CD1-CG 4.16Å; L441-F491 HydrophobicContact CD2-CB 3.73Å; L441-F491 HydrophobicContact CD2-CD2 4.18Å; L441-F491 HydrophobicContact CD2-CG 4.07Å
442	R	84.8	Confident	89.6	Confident	128 Å²	128	57.6 Å²	57.6	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-30.3	174.7	-76.5	-176.8	-69.1	-111.7	2.8	113.2	E435 M438 S439 A444	E435-R442 IonicContact OE2-NH2 3.4Å; M438-R442 WeakPolarHBondContact O-CB 3.47Å; M438-R442 VanDerWaalsContact O-CG 3.29Å; M438-R442 WeakPolarHBondContact O-CG 3.24Å; M438-R442 PolarHBondContact O-N 3.3Å; M438-R442 PolarHBondContact O-NE 2.88Å; S439-R442 PolarHBondContact O-N 2.71Å; R442-A444 PolarHBondContact O-N 2.63Å
443	M	85.6	Confident	89.9	Confident	115 Å²	115	50 Å²	50	57%	0.567	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.8	175	-63.7	-177.5	76.5	0	0	113.7	S439 I440 L441 N445	S439-M443 WeakPolarHBondContact O-CG 3.5Å; S439-M443 PolarHBondContact O-N 3.27Å; I440-M443 WeakPolarHBondContact O-CB 3.32Å; I440-M443 PolarHBondContact O-N 2.97Å; L441-M443 PolarHBondContact O-N 3.24Å; M443-N445 VanDerWaalsContact C-N 3.27Å; M443-N445 PolarHBondContact O-N 3.46Å
444	A	81.9	Confident	90	Very high	63 Å²	63	53.1 Å²	53.1	52%	0.521	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.3	-179.9	0	0	0	0	0	113.8	L441 R442 P446	L441-A444 PolarHBondContact O-N 3.47Å; R442-A444 PolarHBondContact O-N 2.63Å; A444-P446 WeakPolarHBondContact O-CD 3.26Å
445	N	87.8	Confident	89.9	Confident	67 Å²	67	53 Å²	53	36%	0.358	29%	0.286	S	S	.	.			trans	-113.2	97.1	-178.6	-173.6	-30.7	0	0	0	111.5	M443 A447 K448 L449	M443-N445 VanDerWaalsContact C-N 3.27Å; M443-N445 PolarHBondContact O-N 3.46Å; N445-A447 VanDerWaalsContact C-N 3.29Å; N445-A447 PolarHBondContact O-N 3.02Å; N445-A447 PolarHBondContact OD1-N 2.9Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; N445-K448 HydrophobicContact CB-CB 4.12Å; N445-K448 PolarHBondContact O-N 2.95Å; N445-K448 PolarHBondContact OD1-N 2.91Å; N445-L449 PolarHBondContact O-N 2.87Å
446	P	90.3	Very high	90	Very high	58 Å²	58	49.1 Å²	49.1	38%	0.377	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-34.1	-178.3	-23.2	30.7	0	0	0	114.1	A444 L449 R450 M490	A444-P446 WeakPolarHBondContact O-CD 3.26Å; P446-L449 PolarHBondContact O-N 2.82Å; P446-R450 WeakPolarHBondContact O-CG 3.42Å; P446-R450 PolarHBondContact O-N 2.79Å; P446-M490 HydrophobicContact CB-SD 4.37Å; P446-M490 HydrophobicContact CG-CG 4.32Å; P446-M490 HydrophobicContact CG-SD 3.73Å
447	A	92	Very high	89.9	Confident	56 Å²	56	46.6 Å²	46.6	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-69.3	-43	-178.6	0	0	0	0	0	111.6	N445 L449 A451	N445-A447 VanDerWaalsContact C-N 3.29Å; N445-A447 PolarHBondContact O-N 3.02Å; N445-A447 PolarHBondContact OD1-N 2.9Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; A447-L449 VanDerWaalsContact C-N 3.35Å; A447-A451 WeakPolarHBondContact O-CB 3.35Å; A447-A451 PolarHBondContact O-N 2.85Å
448	K	92	Very high	89.5	Confident	101 Å²	101	56.3 Å²	56.3	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-38.8	176	-168.3	175.9	-179.2	-175.8	0	111.4	I440 N445 A451 R452	I440-K448 HydrophobicContact CG1-CD 4.47Å; I440-K448 HydrophobicContact CG2-CB 4.32Å; I440-K448 HydrophobicContact CG2-CG 4.21Å; N445-K448 HydrophobicContact CB-CB 4.12Å; N445-K448 PolarHBondContact O-N 2.95Å; N445-K448 PolarHBondContact OD1-N 2.91Å; K448-A451 PolarHBondContact O-N 2.95Å; K448-R452 PolarHBondContact O-N 2.94Å
449	L	93.6	Very high	89.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-51.9	175.1	-179	62.8	0	0	0	111.9	M437 I440 L441 N445 P446 A447 A451 R452 I453 M490 F491 A494	M437-L449 HydrophobicContact SD-CD1 3.4Å; M437-L449 WeakPolarHBondContact SD-CD1 3.29Å; I440-L449 HydrophobicContact CG2-CB 4Å; I440-L449 HydrophobicContact CG2-CD1 4.22Å; L441-L449 HydrophobicContact CD2-CD1 3.86Å; L441-L449 HydrophobicContact CD2-CD2 3.64Å; L441-L449 HydrophobicContact CD2-CG 4.39Å; L441-L449 HydrophobicContact CG-CD1 4.23Å; N445-L449 PolarHBondContact O-N 2.87Å; P446-L449 PolarHBondContact O-N 2.82Å; A447-L449 VanDerWaalsContact C-N 3.35Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 2.79Å; L449-R452 PolarHBondContact O-N 2.92Å; L449-R452 VanDerWaalsContact O-N 3.16Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.47Å; L449-I453 HydrophobicContact CG-CD1 3.99Å; L449-I453 WeakPolarHBondContact O-CG1 3.12Å; L449-I453 PolarHBondContact O-N 2.94Å; L449-M490 HydrophobicContact CD2-CE 4.19Å; L449-M490 HydrophobicContact CD2-CG 4.18Å; L449-F491 HydrophobicContact CD1-CD2 4.06Å; L449-F491 HydrophobicContact CD1-CE2 4.33Å; L449-F491 HydrophobicContact CD2-CD2 4.27Å; L449-A494 HydrophobicContact CD2-CB 3.85Å; L449-A494 HydrophobicContact CG-CB 4.12Å
450	R	94.4	Very high	89.1	Confident	93 Å²	93	60.7 Å²	60.7	35%	0.351	31%	0.31	S	S	.	.	H	α-helix	trans	-57.7	-46.6	176.2	-76.4	-170.6	-63.4	-101.1	-0.5	112.2	P446 R452 I453 I454 A494 E497	P446-R450 WeakPolarHBondContact O-CG 3.42Å; P446-R450 PolarHBondContact O-N 2.79Å; R450-R452 PolarHBondContact O-N 2.91Å; R450-I453 PolarHBondContact O-N 3.46Å; R450-I454 WeakPolarHBondContact O-CD1 3.46Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.49Å; R450-I454 PolarHBondContact O-N 3.22Å; R450-A494 HydrophobicContact CG-CB 4.26Å; R450-E497 WeakPolarHBondContact CD-OE1 3.28Å; R450-E497 VanDerWaalsContact CD-OE2 3.27Å; R450-E497 WeakPolarHBondContact CD-OE2 3.42Å; R450-E497 IonicContact NH1-OE2 3.95Å
451	A	92.8	Very high	88.8	Confident	60 Å²	60	64.3 Å²	64.3	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-39.3	178.9	0	0	0	0	0	111.7	A447 K448 L449 S455	A447-A451 WeakPolarHBondContact O-CB 3.35Å; A447-A451 PolarHBondContact O-N 2.85Å; K448-A451 PolarHBondContact O-N 2.95Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 2.79Å; A451-S455 PolarHBondContact O-N 3.46Å
452	R	93.9	Very high	88.7	Confident	41 Å²	41	64.5 Å²	64.5	16%	0.155	34%	0.335	C	S	.	.	H	α-helix	trans	-72.3	-43.2	178.4	-167.5	56.1	168.8	132.6	2.7	112.7	E436 M437 I440 K448 L449 R450 I454 S455 L456 E459	E436-R452 IonicContact OE1-CZ 2.87Å; E436-R452 IonicContact OE1-NE 2.63Å; E436-R452 PolarHBondContact OE1-NE 3.4Å; E436-R452 IonicContact OE1-NH2 3.68Å; E436-R452 IonicContact OE2-CZ 2.85Å; E436-R452 IonicContact OE2-NE 3.22Å; E436-R452 PolarHBondContact OE2-NE 3.43Å; E436-R452 IonicContact OE2-NH2 3.85Å; E436-R452 PolarHBondContact OE2-NH2 3.32Å; M437-R452 HydrophobicContact CE-CG 4.16Å; I440-R452 HydrophobicContact CD1-CB 3.78Å; I440-R452 HydrophobicContact CD1-CG 3.74Å; K448-R452 PolarHBondContact O-N 2.94Å; L449-R452 PolarHBondContact O-N 2.92Å; L449-R452 VanDerWaalsContact O-N 3.16Å; R450-R452 PolarHBondContact O-N 2.91Å; R452-I454 VanDerWaalsContact C-N 3.27Å; R452-I454 PolarHBondContact O-N 3Å; R452-S455 PolarHBondContact NH1-OG 3.48Å; R452-S455 PolarHBondContact O-N 3.05Å; R452-S455 VanDerWaalsContact O-N 3.16Å; R452-L456 HydrophobicContact CG-CD1 4.24Å; R452-L456 HydrophobicContact CG-CG 4.35Å; R452-L456 WeakPolarHBondContact O-CG 3.26Å; R452-L456 PolarHBondContact O-N 2.91Å; R452-E459 IonicContact NH1-OE1 3.12Å; R452-E459 IonicContact NH1-OE2 3.74Å; R452-E459 PolarHBondContact NH1-OE2 3.18Å
453	I	93.9	Very high	88.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-43.2	174.6	-68.4	167.2	0	0	0	110.5	M437 L449 R450 S455 L456 G457 F491 A494 L495 Y498	M437-I453 HydrophobicContact CE-CG1 4.34Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.47Å; L449-I453 HydrophobicContact CG-CD1 3.99Å; L449-I453 WeakPolarHBondContact O-CG1 3.12Å; L449-I453 PolarHBondContact O-N 2.94Å; R450-I453 PolarHBondContact O-N 3.46Å; I453-S455 PolarHBondContact O-N 3.04Å; I453-L456 PolarHBondContact O-N 3.42Å; I453-G457 PolarHBondContact O-N 2.88Å; I453-F491 HydrophobicContact CD1-CD2 4.34Å; I453-F491 HydrophobicContact CD1-CE2 4.13Å; I453-A494 HydrophobicContact CD1-CB 3.65Å; I453-L495 HydrophobicContact CD1-CD2 4.03Å; I453-L495 HydrophobicContact CD1-CG 4.45Å; I453-L495 HydrophobicContact CG1-CD2 4.47Å; I453-Y498 HydrophobicContact CG2-CD1 3.75Å; I453-Y498 HydrophobicContact CG2-CD2 4.08Å; I453-Y498 HydrophobicContact CG2-CE1 4.38Å; I453-Y498 HydrophobicContact CG2-CG 3.57Å
454	I	91.1	Very high	88.7	Confident	67 Å²	67	59.9 Å²	59.9	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-42.4	177	-67.6	164.1	0	0	0	111.9	R450 R452 R458 Y498	R450-I454 WeakPolarHBondContact O-CD1 3.46Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.49Å; R450-I454 PolarHBondContact O-N 3.22Å; R452-I454 VanDerWaalsContact C-N 3.27Å; R452-I454 PolarHBondContact O-N 3Å; I454-R458 WeakPolarHBondContact O-CG 3.34Å; I454-R458 PolarHBondContact O-N 3.28Å; I454-Y498 HydrophobicContact CB-CE2 4.19Å; I454-Y498 HydrophobicContact CG1-CD2 3.77Å; I454-Y498 HydrophobicContact CG1-CE2 3.73Å
455	S	90.7	Very high	89	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-47.6	177.3	140.2	0	0	0	0	110.8	A451 R452 I453 G457 R458 E459	A451-S455 PolarHBondContact O-N 3.46Å; R452-S455 PolarHBondContact NH1-OG 3.48Å; R452-S455 PolarHBondContact O-N 3.05Å; R452-S455 VanDerWaalsContact O-N 3.16Å; I453-S455 PolarHBondContact O-N 3.04Å; S455-G457 PolarHBondContact O-N 2.75Å; S455-R458 WeakPolarHBondContact O-CB 3.38Å; S455-R458 PolarHBondContact O-N 2.88Å; S455-R458 VanDerWaalsContact O-N 3.09Å; S455-E459 WeakPolarHBondContact O-CG 3.27Å; S455-E459 PolarHBondContact O-N 3.1Å; S455-E459 VanDerWaalsContact O-N 3.14Å; S455-E459 PolarHBondContact OG-OE1 3.43Å
456	L	89.9	Confident	89.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-45.9	178.1	-71.5	177.8	0	0	0	112.3	L433 M437 R452 I453 R458 E459 Y460 L465 Y470	L433-L456 HydrophobicContact CD1-CD2 4.2Å; L433-L456 HydrophobicContact CD2-CD2 3.83Å; M437-L456 HydrophobicContact CE-CD1 3.48Å; M437-L456 VanDerWaalsContact CE-CD1 3.48Å; R452-L456 HydrophobicContact CG-CD1 4.24Å; R452-L456 HydrophobicContact CG-CG 4.35Å; R452-L456 WeakPolarHBondContact O-CG 3.26Å; R452-L456 PolarHBondContact O-N 2.91Å; I453-L456 PolarHBondContact O-N 3.42Å; L456-R458 PolarHBondContact O-N 2.85Å; L456-R458 VanDerWaalsContact O-N 3.08Å; L456-E459 PolarHBondContact O-N 3.06Å; L456-Y460 HydrophobicContact CD2-CD2 3.9Å; L456-Y460 HydrophobicContact CD2-CE2 3.72Å; L456-Y460 PolarHBondContact O-N 2.62Å; L456-L465 HydrophobicContact CB-CD1 4.37Å; L456-L465 HydrophobicContact CB-CD2 3.9Å; L456-L465 WeakPolarHBondContact O-CD1 3.39Å; L456-Y470 HydrophobicContact CD1-CE1 4.41Å
457	G	85.6	Confident	89	Confident	20 Å²	20	54 Å²	54	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-11.9	178.2	0	0	0	0	0	115.2	I453 S455 Y498	I453-G457 PolarHBondContact O-N 2.88Å; S455-G457 PolarHBondContact O-N 2.75Å; G457-Y498 WeakPolarHBondContact CA-OH 3.25Å
458	R	84.2	Confident	88.9	Confident	206 Å²	206	54.8 Å²	54.8	78%	0.777	27%	0.27	S	S	*	.	H	α-helix	trans	-94.1	-29	170.2	-67.5	173.3	-179	179.9	1.1	112.9	I454 S455 L456	I454-R458 WeakPolarHBondContact O-CG 3.34Å; I454-R458 PolarHBondContact O-N 3.28Å; S455-R458 WeakPolarHBondContact O-CB 3.38Å; S455-R458 PolarHBondContact O-N 2.88Å; S455-R458 VanDerWaalsContact O-N 3.09Å; L456-R458 PolarHBondContact O-N 2.85Å; L456-R458 VanDerWaalsContact O-N 3.08Å
459	E	82.3	Confident	88.9	Confident	104 Å²	104	50 Å²	50	49%	0.486	25%	0.249	S	C	.	.	H	α-helix	trans	-85.6	-32.9	-174.4	-73.2	162	-147.9	0	0	112	R452 S455 L456	R452-E459 IonicContact NH1-OE1 3.12Å; R452-E459 IonicContact NH1-OE2 3.74Å; R452-E459 PolarHBondContact NH1-OE2 3.18Å; S455-E459 WeakPolarHBondContact O-CG 3.27Å; S455-E459 PolarHBondContact O-N 3.1Å; S455-E459 VanDerWaalsContact O-N 3.14Å; S455-E459 PolarHBondContact OG-OE1 3.43Å; L456-E459 PolarHBondContact O-N 3.06Å
460	Y	85.4	Confident	88.9	Confident	55 Å²	55	50 Å²	50	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	-129.9	150.4	-170.8	-58	-82.5	0	0	0	113.1	D429 W430 L433 L456 L465	D429-Y460 PolarHBondContact OD2-OH 3.19Å; W430-Y460 AromaticContact CH2-CD1 3.34Å; W430-Y460 HydrophobicContact CH2-CD1 3.34Å; W430-Y460 AromaticContact CH2-CE1 3.91Å; W430-Y460 HydrophobicContact CH2-CE1 3.91Å; W430-Y460 AromaticContact CH2-CG 3.9Å; W430-Y460 HydrophobicContact CH2-CG 3.9Å; W430-Y460 HydrophobicContact CZ2-CD1 4.39Å; W430-Y460 AromaticContact CZ3-CD1 3.65Å; W430-Y460 HydrophobicContact CZ3-CD1 3.65Å; W430-Y460 AromaticContact CZ3-CE1 3.99Å; W430-Y460 HydrophobicContact CZ3-CE1 3.99Å; W430-Y460 AromaticContact CZ3-CG 3.94Å; W430-Y460 HydrophobicContact CZ3-CG 3.94Å; L433-Y460 HydrophobicContact CD1-CD2 4.49Å; L433-Y460 HydrophobicContact CD1-CE1 4.45Å; L433-Y460 HydrophobicContact CD1-CE2 3.83Å; L456-Y460 HydrophobicContact CD2-CD2 3.9Å; L456-Y460 HydrophobicContact CD2-CE2 3.72Å; L456-Y460 PolarHBondContact O-N 2.62Å; Y460-L465 HydrophobicContact CD2-CD2 4.03Å; Y460-L465 HydrophobicContact CG-CD2 4.15Å
461	P	83.9	Confident	88.8	Confident	82 Å²	82	46.5 Å²	46.5	53%	0.532	24%	0.237	S	C	.	.			trans	-59.4	148.9	173.1	-22.1	33.1	0	0	0	112.8	D463 Q464 L465	P461-D463 PolarHBondContact O-N 3.32Å; P461-Q464 HydrophobicContact CB-CB 4.38Å; P461-Q464 HydrophobicContact CB-CG 4.15Å; P461-Q464 HydrophobicContact CG-CG 4.25Å; P461-Q464 PolarHBondContact O-N 3.03Å; P461-L465 PolarHBondContact O-N 3.42Å
462	V	86.4	Confident	88.7	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-44.2	-176.8	73.2	0	0	0	0	112.7	Q464 L465 I466 W532 L536	V462-Q464 VanDerWaalsContact C-N 3.3Å; V462-Q464 PolarHBondContact O-N 2.74Å; V462-L465 PolarHBondContact O-N 2.92Å; V462-I466 HydrophobicContact CG2-CD1 3.65Å; V462-I466 HydrophobicContact CG2-CG1 4.22Å; V462-I466 VanDerWaalsContact O-CG1 3.31Å; V462-I466 WeakPolarHBondContact O-CG1 3.44Å; V462-I466 PolarHBondContact O-N 2.98Å; V462-W532 HydrophobicContact CB-CH2 4.4Å; V462-W532 HydrophobicContact CB-CZ2 4.07Å; V462-W532 HydrophobicContact CG2-CD2 3.38Å; V462-W532 HydrophobicContact CG2-CE3 3.58Å; V462-W532 HydrophobicContact CG2-CG 3.94Å; V462-W532 HydrophobicContact CG2-CH2 3.73Å; V462-W532 HydrophobicContact CG2-CZ2 3.58Å; V462-W532 HydrophobicContact CG2-CZ3 3.76Å; V462-L536 HydrophobicContact CB-CD1 3.75Å; V462-L536 HydrophobicContact CG1-CD1 3.2Å; V462-L536 HydrophobicContact CG1-CG 3.89Å
463	D	83.2	Confident	88.5	Confident	71 Å²	71	42.9 Å²	42.9	38%	0.38	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-43.4	-177.1	-64.4	-59.7	0	0	0	110.7	P461 I466 N467 R533	P461-D463 PolarHBondContact O-N 3.32Å; D463-I466 PolarHBondContact O-N 2.82Å; D463-N467 VanDerWaalsContact O-CB 3.3Å; D463-N467 WeakPolarHBondContact O-CB 3.46Å; D463-N467 VanDerWaalsContact O-CG 3.3Å; D463-N467 PolarHBondContact O-N 2.96Å; D463-N467 PolarHBondContact O-ND2 3.44Å; D463-R533 WeakPolarHBondContact OD1-CD 3.43Å; D463-R533 WeakPolarHBondContact OD1-CG 3.34Å; D463-R533 IonicContact OD1-NE 2.61Å; D463-R533 PolarHBondContact OD1-NE 2.69Å
464	Q	86.8	Confident	88.4	Confident	75 Å²	75	43.9 Å²	43.9	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-44.6	179.6	-65.7	-70.4	-34.1	0	0	110.9	W430 P461 V462 H468	W430-Q464 HydrophobicContact CH2-CB 3.83Å; W430-Q464 HydrophobicContact CZ2-CB 3.96Å; W430-Q464 HydrophobicContact CZ2-CG 4.47Å; P461-Q464 HydrophobicContact CB-CB 4.38Å; P461-Q464 HydrophobicContact CB-CG 4.15Å; P461-Q464 HydrophobicContact CG-CG 4.25Å; P461-Q464 PolarHBondContact O-N 3.03Å; V462-Q464 VanDerWaalsContact C-N 3.3Å; V462-Q464 PolarHBondContact O-N 2.74Å; Q464-H468 WeakPolarHBondContact O-CA 3.29Å; Q464-H468 VanDerWaalsContact O-CB 3.29Å; Q464-H468 WeakPolarHBondContact O-CB 3.5Å; Q464-H468 PolarHBondContact O-CD2 2.63Å; Q464-H468 PolarHBondContact O-N 3.01Å; Q464-H468 PolarHBondContact OE1-CD2 2.95Å; Q464-H468 PolarHBondContact OE1-NE2 3.29Å
465	L	89.3	Confident	88.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-44	176.9	-73	172.2	0	0	0	112.9	L456 Y460 P461 V462 V469 Y470 W532	L456-L465 HydrophobicContact CB-CD1 4.37Å; L456-L465 HydrophobicContact CB-CD2 3.9Å; L456-L465 WeakPolarHBondContact O-CD1 3.39Å; Y460-L465 HydrophobicContact CD2-CD2 4.03Å; Y460-L465 HydrophobicContact CG-CD2 4.15Å; P461-L465 PolarHBondContact O-N 3.42Å; V462-L465 PolarHBondContact O-N 2.92Å; L465-V469 HydrophobicContact CD2-CG2 4.24Å; L465-V469 CarbonylContact O-C 3.58Å; L465-V469 WeakPolarHBondContact O-CA 3.3Å; L465-V469 WeakPolarHBondContact O-CB 3.34Å; L465-V469 PolarHBondContact O-N 2.95Å; L465-Y470 HydrophobicContact CB-CD2 4.13Å; L465-Y470 HydrophobicContact CB-CE2 3.66Å; L465-Y470 HydrophobicContact CD1-CE2 4.39Å; L465-Y470 PolarHBondContact O-N 3.23Å; L465-W532 HydrophobicContact CD1-CH2 4.39Å
466	I	90.5	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-63.4	-51.8	179.9	-66.9	170	0	0	0	109.6	V462 D463 Y470 L471 L529 R533	V462-I466 HydrophobicContact CG2-CD1 3.65Å; V462-I466 HydrophobicContact CG2-CG1 4.22Å; V462-I466 VanDerWaalsContact O-CG1 3.31Å; V462-I466 WeakPolarHBondContact O-CG1 3.44Å; V462-I466 PolarHBondContact O-N 2.98Å; D463-I466 PolarHBondContact O-N 2.82Å; I466-Y470 HydrophobicContact CG1-CD2 4.33Å; I466-L471 HydrophobicContact CG2-CD1 3.86Å; I466-L471 HydrophobicContact CG2-CG 3.91Å; I466-L471 WeakPolarHBondContact O-CB 3.07Å; I466-L471 WeakPolarHBondContact O-CG 3.44Å; I466-L471 PolarHBondContact O-N 3.03Å; I466-L529 HydrophobicContact CD1-CB 3.95Å; I466-L529 WeakPolarHBondContact CD1-O 3.26Å; I466-L529 HydrophobicContact CG1-CB 4.18Å; I466-L529 HydrophobicContact CG1-CD2 4.31Å; I466-L529 HydrophobicContact CG2-CB 4.37Å; I466-L529 HydrophobicContact CG2-CD1 4.3Å; I466-R533 HydrophobicContact CD1-CB 4.11Å; I466-R533 VanDerWaalsContact CG2-NH2 3.25Å
467	N	88.1	Confident	87.6	Confident	64 Å²	64	49.1 Å²	49.1	34%	0.342	23%	0.234	S	C	.	.	I	π-helix	trans	-76.7	-37.7	-171	-65.4	-20.2	0	0	0	112.9	D463 P472 R533	D463-N467 VanDerWaalsContact O-CB 3.3Å; D463-N467 WeakPolarHBondContact O-CB 3.46Å; D463-N467 VanDerWaalsContact O-CG 3.3Å; D463-N467 PolarHBondContact O-N 2.96Å; D463-N467 PolarHBondContact O-ND2 3.44Å; N467-P472 VanDerWaalsContact O-CD 3.27Å; N467-P472 WeakPolarHBondContact O-CD 3.3Å; N467-P472 WeakPolarHBondContact O-CG 3.42Å; N467-R533 PolarHBondContact OD1-NH2 2.74Å
468	H	89.3	Confident	87.1	Confident	73 Å²	73	53.1 Å²	53.1	34%	0.338	25%	0.254	S	S	.	.	I	π-helix	trans	-103.2	-10.9	-173.9	-56.3	-68.5	0	0	0	114.7	W430 Q434 Q464	W430-H468 HydrophobicContact CB-CB 4.21Å; W430-H468 HydrophobicContact CD2-CB 3.89Å; W430-H468 HydrophobicContact CE3-CB 4.29Å; W430-H468 HydrophobicContact CG-CB 3.82Å; Q434-H468 PolarHBondContact NE2-O 3.25Å; Q464-H468 WeakPolarHBondContact O-CA 3.29Å; Q464-H468 VanDerWaalsContact O-CB 3.29Å; Q464-H468 WeakPolarHBondContact O-CB 3.5Å; Q464-H468 PolarHBondContact O-CD2 2.63Å; Q464-H468 PolarHBondContact O-N 3.01Å; Q464-H468 PolarHBondContact OE1-CD2 2.95Å; Q464-H468 PolarHBondContact OE1-NE2 3.29Å
469	V	92.4	Very high	86.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-124.8	-61.2	179.2	-172.4	0	0	0	0	111.8	W430 L433 L465 V473	W430-V469 HydrophobicContact CE3-CG2 3.69Å; W430-V469 HydrophobicContact CZ3-CG2 4.11Å; L433-V469 HydrophobicContact CB-CG2 4.31Å; L465-V469 HydrophobicContact CD2-CG2 4.24Å; L465-V469 CarbonylContact O-C 3.58Å; L465-V469 WeakPolarHBondContact O-CA 3.3Å; L465-V469 WeakPolarHBondContact O-CB 3.34Å; L465-V469 PolarHBondContact O-N 2.95Å; V469-V473 VanDerWaalsContact O-CB 3.28Å; V469-V473 WeakPolarHBondContact O-CB 3.38Å; V469-V473 WeakPolarHBondContact O-CG2 3.36Å; V469-V473 PolarHBondContact O-N 3.14Å
470	Y	93.8	Very high	85.5	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-71.7	-47.4	-168.6	-57	-34.3	0	0	0	113.2	M437 L456 L465 I466 R474 F491 L495 L529 W532	M437-Y470 HydrophobicContact CE-CE1 4.34Å; L456-Y470 HydrophobicContact CD1-CE1 4.41Å; L465-Y470 HydrophobicContact CB-CD2 4.13Å; L465-Y470 HydrophobicContact CB-CE2 3.66Å; L465-Y470 HydrophobicContact CD1-CE2 4.39Å; L465-Y470 PolarHBondContact O-N 3.23Å; I466-Y470 HydrophobicContact CG1-CD2 4.33Å; Y470-R474 WeakPolarHBondContact O-CB 3.44Å; Y470-R474 VanDerWaalsContact O-CG 3.27Å; Y470-R474 WeakPolarHBondContact O-CG 3.31Å; Y470-R474 PolarHBondContact O-N 3.36Å; Y470-F491 HydrophobicContact CD1-CE2 4.41Å; Y470-F491 AromaticContact CD1-CZ 3.89Å; Y470-F491 HydrophobicContact CD1-CZ 3.89Å; Y470-L495 HydrophobicContact CD1-CD2 3.85Å; Y470-L495 HydrophobicContact CD2-CD2 3.96Å; Y470-L495 HydrophobicContact CE1-CD2 4.05Å; Y470-L495 HydrophobicContact CE2-CD2 4.17Å; Y470-L495 HydrophobicContact CG-CD2 3.79Å; Y470-L529 HydrophobicContact CD2-CD2 4.32Å; Y470-W532 HydrophobicContact CE2-CH2 4.45Å; Y470-W532 AromaticContact CE2-CZ3 3.95Å; Y470-W532 HydrophobicContact CE2-CZ3 3.95Å
471	L	90.7	Very high	83.9	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-46.5	176.9	-66.6	178.3	0	0	0	112.2	I466 V473 R474 Q475 R526	I466-L471 HydrophobicContact CG2-CD1 3.86Å; I466-L471 HydrophobicContact CG2-CG 3.91Å; I466-L471 WeakPolarHBondContact O-CB 3.07Å; I466-L471 WeakPolarHBondContact O-CG 3.44Å; I466-L471 PolarHBondContact O-N 3.03Å; L471-V473 PolarHBondContact O-N 3.29Å; L471-R474 PolarHBondContact O-N 3.08Å; L471-Q475 WeakPolarHBondContact O-CG 3.46Å; L471-Q475 PolarHBondContact O-N 2.93Å; L471-R526 HydrophobicContact CD2-CG 4.03Å
472	P	90.5	Very high	82.5	Confident	26 Å²	26	58 Å²	58	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-44.3	174.9	-27.8	36.7	0	0	0	113.7	Q434 N467 R474 Q475 R476	Q434-P472 HydrophobicContact CG-CB 4.47Å; N467-P472 VanDerWaalsContact O-CD 3.27Å; N467-P472 WeakPolarHBondContact O-CD 3.3Å; N467-P472 WeakPolarHBondContact O-CG 3.42Å; P472-R474 PolarHBondContact O-N 2.99Å; P472-Q475 PolarHBondContact O-N 2.78Å; P472-R476 VanDerWaalsContact O-CG 3.31Å; P472-R476 WeakPolarHBondContact O-CG 3.35Å; P472-R476 PolarHBondContact O-N 3.12Å
473	V	91.2	Very high	81.3	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-42	177.5	170.3	0	0	0	0	111	Q434 M437 M438 L441 V469 L471 R476 L477 F491	Q434-V473 HydrophobicContact CB-CG2 4Å; Q434-V473 HydrophobicContact CG-CG2 4.08Å; M437-V473 HydrophobicContact CB-CG1 4.44Å; M437-V473 HydrophobicContact CB-CG2 4.03Å; M437-V473 HydrophobicContact CG-CG1 3.91Å; M437-V473 HydrophobicContact CG-CG2 4.18Å; M438-V473 HydrophobicContact CG-CG1 4.41Å; M438-V473 HydrophobicContact SD-CG1 3.87Å; L441-V473 HydrophobicContact CD1-CG1 3.66Å; V469-V473 VanDerWaalsContact O-CB 3.28Å; V469-V473 WeakPolarHBondContact O-CB 3.38Å; V469-V473 WeakPolarHBondContact O-CG2 3.36Å; V469-V473 PolarHBondContact O-N 3.14Å; L471-V473 PolarHBondContact O-N 3.29Å; V473-R476 PolarHBondContact O-N 2.9Å; V473-L477 HydrophobicContact CG1-CD1 4.25Å; V473-L477 WeakPolarHBondContact O-CG 3.07Å; V473-L477 PolarHBondContact O-N 3.43Å; V473-L477 VanDerWaalsContact O-N 3.07Å; V473-F491 HydrophobicContact CB-CE1 3.89Å; V473-F491 HydrophobicContact CB-CZ 4.29Å; V473-F491 HydrophobicContact CG1-CD1 4.08Å; V473-F491 HydrophobicContact CG1-CE1 3.47Å; V473-F491 VanDerWaalsContact CG1-CE1 3.47Å; V473-F491 HydrophobicContact CG1-CZ 3.94Å
474	R	90.9	Very high	80.8	Confident	22 Å²	22	59.2 Å²	59.2	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-47.4	174.9	-74.1	-178.4	80.1	-115.6	-3.1	111.7	Y470 L471 P472 R476 L477 V478 F491 D492 L495 E523	Y470-R474 WeakPolarHBondContact O-CB 3.44Å; Y470-R474 VanDerWaalsContact O-CG 3.27Å; Y470-R474 WeakPolarHBondContact O-CG 3.31Å; Y470-R474 PolarHBondContact O-N 3.36Å; L471-R474 PolarHBondContact O-N 3.08Å; P472-R474 PolarHBondContact O-N 2.99Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 2.97Å; R474-L477 PolarHBondContact O-N 3.49Å; R474-L477 VanDerWaalsContact O-N 3.13Å; R474-V478 WeakPolarHBondContact O-CG2 3.41Å; R474-V478 PolarHBondContact O-N 2.94Å; R474-F491 HydrophobicContact CG-CD1 3.67Å; R474-F491 HydrophobicContact CG-CE1 3.63Å; R474-D492 IonicContact CZ-OD1 2.79Å; R474-D492 IonicContact CZ-OD2 3.68Å; R474-D492 IonicContact NE-OD1 3.27Å; R474-D492 PolarHBondContact NE-OD1 2.89Å; R474-D492 IonicContact NE-OD2 3.94Å; R474-D492 IonicContact NH2-OD1 3.35Å; R474-D492 PolarHBondContact NH2-OD1 2.89Å; R474-D492 IonicContact NH2-OD2 3.38Å; R474-D492 PolarHBondContact NH2-OD2 3.11Å; R474-D492 VanDerWaalsContact NH2-OD2 3.13Å; R474-L495 HydrophobicContact CG-CD1 4.42Å; R474-E523 IonicContact CZ-OE2 2.74Å; R474-E523 IonicContact NH1-OE2 3.91Å; R474-E523 PolarHBondContact NH1-OE2 3.16Å
475	Q	86.5	Confident	80.2	Confident	124 Å²	124	65.1 Å²	65.1	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-57.2	-44.2	177.8	-74.2	172.2	-4.8	0	0	111.4	L471 P472 L477 V478 L479	L471-Q475 WeakPolarHBondContact O-CG 3.46Å; L471-Q475 PolarHBondContact O-N 2.93Å; P472-Q475 PolarHBondContact O-N 2.78Å; Q475-L477 VanDerWaalsContact C-N 3.35Å; Q475-L477 PolarHBondContact O-N 3.42Å; Q475-V478 PolarHBondContact O-N 3.12Å; Q475-L479 WeakPolarHBondContact O-CG 3.22Å; Q475-L479 PolarHBondContact O-N 3.16Å
476	R	85.1	Confident	79.9	Confident	82 Å²	82	71.3 Å²	71.3	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-39.7	176.1	-70.8	174.5	65.4	173.5	1.8	112.8	E435 M438 P472 V473 R474 L479	E435-R476 IonicContact OE1-CZ 3.29Å; E435-R476 IonicContact OE1-NH1 3.82Å; E435-R476 PolarHBondContact OE1-NH1 2.84Å; E435-R476 IonicContact OE1-NH2 3.72Å; E435-R476 PolarHBondContact OE1-NH2 3.03Å; E435-R476 IonicContact OE2-NH2 2.91Å; M438-R476 HydrophobicContact CE-CB 4.45Å; M438-R476 HydrophobicContact SD-CB 4.37Å; P472-R476 VanDerWaalsContact O-CG 3.31Å; P472-R476 WeakPolarHBondContact O-CG 3.35Å; P472-R476 PolarHBondContact O-N 3.12Å; V473-R476 PolarHBondContact O-N 2.9Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 2.97Å; R476-L479 PolarHBondContact O-N 2.75Å
477	L	84.1	Confident	79.7	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-69.4	-32.8	177.8	-67.8	167.4	0	0	0	113.1	M438 L441 V473 R474 Q475 L479 S484 M487 F491	M438-L477 HydrophobicContact CE-CD2 3.95Å; M438-L477 HydrophobicContact SD-CD2 3.92Å; M438-L477 HydrophobicContact SD-CG 4.08Å; L441-L477 HydrophobicContact CD1-CD1 3.64Å; L441-L477 HydrophobicContact CD1-CD2 4.31Å; L441-L477 HydrophobicContact CD1-CG 4.39Å; V473-L477 HydrophobicContact CG1-CD1 4.25Å; V473-L477 WeakPolarHBondContact O-CG 3.07Å; V473-L477 PolarHBondContact O-N 3.43Å; V473-L477 VanDerWaalsContact O-N 3.07Å; R474-L477 PolarHBondContact O-N 3.49Å; R474-L477 VanDerWaalsContact O-N 3.13Å; Q475-L477 VanDerWaalsContact C-N 3.35Å; Q475-L477 PolarHBondContact O-N 3.42Å; L477-L479 PolarHBondContact O-N 3.24Å; L477-S484 WeakPolarHBondContact O-CB 3.39Å; L477-M487 HydrophobicContact CD2-CB 4.08Å; L477-F491 HydrophobicContact CD1-CB 4.24Å; L477-F491 HydrophobicContact CD1-CD1 3.85Å; L477-F491 HydrophobicContact CD1-CG 4.41Å
478	V	75.6	Confident	79.7	Confident	104 Å²	104	70.2 Å²	70.2	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-68.2	-27.6	179.6	172.2	0	0	0	0	111.8	R474 Q475	R474-V478 WeakPolarHBondContact O-CG2 3.41Å; R474-V478 PolarHBondContact O-N 2.94Å; Q475-V478 PolarHBondContact O-N 3.12Å
479	L	69	Low	79.6	Confident	143 Å²	143	70.8 Å²	70.8	75%	0.749	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.2	-175.6	-66.7	170	0	0	0	114.9	Q475 R476 L477	Q475-L479 WeakPolarHBondContact O-CG 3.22Å; Q475-L479 PolarHBondContact O-N 3.16Å; R476-L479 PolarHBondContact O-N 2.75Å; L477-L479 PolarHBondContact O-N 3.24Å
480	D	62	Low	79.5	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	37%	0.37	S	S	.	.	S	Bend	trans	-99.7	138.5	-180	-98.4	-38	0	0	0	112.6	S484	D480-S484 WeakPolarHBondContact CB-OG 3.42Å; D480-S484 VanDerWaalsContact O-CB 3.28Å; D480-S484 WeakPolarHBondContact O-CB 3.22Å; D480-S484 PolarHBondContact O-OG 2.83Å
481	H	53.3	Low	79.6	Confident	175 Å²	175	72.7 Å²	72.7	81%	0.81	37%	0.37	S	S	*	.			trans	-78.4	144.7	-172.5	-68.6	-38.9	0	0	0	116	T483	H481-T483 PolarHBondContact O-N 3.14Å
482	N	54.7	Low	79.7	Confident	130 Å²	130	73.3 Å²	73.3	70%	0.695	37%	0.373	S	S	*	.	S	Bend	trans	51.5	-58.8	176.7	-75.2	-11.1	0	0	0	118.8	S484 R485	N482-S484 PolarHBondContact O-N 2.83Å; N482-R485 PolarHBondContact O-N 2.91Å
483	T	61.2	Low	79.8	Confident	90 Å²	90	74 Å²	74	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-65.8	-33.1	-179.1	-54.2	0	0	0	0	111.1	H481 R485 I486 M487	H481-T483 PolarHBondContact O-N 3.14Å; T483-R485 VanDerWaalsContact C-N 3.35Å; T483-R485 PolarHBondContact O-N 3.12Å; T483-I486 PolarHBondContact O-N 2.94Å; T483-M487 HydrophobicContact CG2-CE 3.61Å; T483-M487 HydrophobicContact CG2-SD 4.24Å; T483-M487 PolarHBondContact O-N 3.27Å
484	S	71.3	Confident	80	Confident	13 Å²	13	74.4 Å²	74.4	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-76.1	-19.4	-177	-47	0	0	0	0	113.9	L477 D480 N482 M487 S488	L477-S484 WeakPolarHBondContact O-CB 3.39Å; D480-S484 WeakPolarHBondContact CB-OG 3.42Å; D480-S484 VanDerWaalsContact O-CB 3.28Å; D480-S484 WeakPolarHBondContact O-CB 3.22Å; D480-S484 PolarHBondContact O-OG 2.83Å; N482-S484 PolarHBondContact O-N 2.83Å; S484-M487 PolarHBondContact O-N 3.03Å; S484-S488 WeakPolarHBondContact O-CB 3.41Å; S484-S488 PolarHBondContact O-N 2.88Å
485	R	75.1	Confident	80.2	Confident	198 Å²	198	73.5 Å²	73.5	75%	0.747	39%	0.385	S	S	*	.	H	α-helix	trans	-66.3	-42	171.1	-72.5	-173.1	70.4	176.2	3.3	111.8	N482 T483 S489	N482-R485 PolarHBondContact O-N 2.91Å; T483-R485 VanDerWaalsContact C-N 3.35Å; T483-R485 PolarHBondContact O-N 3.12Å; R485-S489 WeakPolarHBondContact O-CB 3.25Å; R485-S489 PolarHBondContact O-N 3.47Å
486	I	82.2	Confident	80.6	Confident	130 Å²	130	69.8 Å²	69.8	67%	0.667	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-43.9	177	-61.3	175.4	0	0	0	109.7	T483 S489 M490	T483-I486 PolarHBondContact O-N 2.94Å; I486-S489 PolarHBondContact O-N 3.28Å; I486-M490 WeakPolarHBondContact O-CB 3.38Å; I486-M490 PolarHBondContact O-N 3.42Å
487	M	86.6	Confident	81	Confident	28 Å²	28	70.6 Å²	70.6	14%	0.138	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-41.9	177.3	-66.8	176	178	0	0	112.3	L477 T483 S484 S489 M490 F491	L477-M487 HydrophobicContact CD2-CB 4.08Å; T483-M487 HydrophobicContact CG2-CE 3.61Å; T483-M487 HydrophobicContact CG2-SD 4.24Å; T483-M487 PolarHBondContact O-N 3.27Å; S484-M487 PolarHBondContact O-N 3.03Å; M487-S489 VanDerWaalsContact C-N 3.34Å; M487-S489 PolarHBondContact O-N 2.97Å; M487-M490 PolarHBondContact O-N 3.09Å; M487-F491 WeakPolarHBondContact O-CB 3.49Å; M487-F491 PolarHBondContact O-N 2.94Å
488	S	87.6	Confident	81.5	Confident	14 Å²	14	72.1 Å²	72.1	10%	0.098	38%	0.382	C	S	.	.	H	α-helix	trans	-61.3	-43.2	173.9	-171.6	0	0	0	0	111	S484 M490 F491 D492	S484-S488 WeakPolarHBondContact O-CB 3.41Å; S484-S488 PolarHBondContact O-N 2.88Å; S488-M490 PolarHBondContact O-N 3.46Å; S488-F491 PolarHBondContact O-N 3Å; S488-D492 WeakPolarHBondContact O-CB 3.39Å; S488-D492 VanDerWaalsContact O-CG 3.3Å; S488-D492 PolarHBondContact O-N 3.47Å
489	S	88.8	Confident	82.4	Confident	85 Å²	85	67.2 Å²	67.2	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-64.8	-39	176.8	-175.4	0	0	0	0	112.4	R485 I486 M487 F491 G493	R485-S489 WeakPolarHBondContact O-CB 3.25Å; R485-S489 PolarHBondContact O-N 3.47Å; I486-S489 PolarHBondContact O-N 3.28Å; M487-S489 VanDerWaalsContact C-N 3.34Å; M487-S489 PolarHBondContact O-N 2.97Å; S489-F491 VanDerWaalsContact C-N 3.34Å; S489-G493 PolarHBondContact O-N 3.47Å
490	M	90.5	Very high	83.7	Confident	40 Å²	40	62.1 Å²	62.1	20%	0.197	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-40.1	174.4	-178	-177.5	63.6	0	0	111.1	L441 P446 L449 I486 M487 S488 A494	L441-M490 HydrophobicContact CD2-CE 3.79Å; P446-M490 HydrophobicContact CB-SD 4.37Å; P446-M490 HydrophobicContact CG-CG 4.32Å; P446-M490 HydrophobicContact CG-SD 3.73Å; L449-M490 HydrophobicContact CD2-CE 4.19Å; L449-M490 HydrophobicContact CD2-CG 4.18Å; I486-M490 WeakPolarHBondContact O-CB 3.38Å; I486-M490 PolarHBondContact O-N 3.42Å; M487-M490 PolarHBondContact O-N 3.09Å; S488-M490 PolarHBondContact O-N 3.46Å; M490-A494 PolarHBondContact O-N 2.97Å; M490-A494 VanDerWaalsContact O-N 3.15Å
491	F	94	Very high	85.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-49.1	177.9	-169.9	-147	0	0	0	111.9	M437 L441 L449 I453 Y470 V473 R474 L477 M487 S488 S489 G493 A494 L495	M437-F491 HydrophobicContact CG-CE2 4.17Å; M437-F491 HydrophobicContact CG-CZ 4.12Å; M437-F491 HydrophobicContact SD-CE2 4.02Å; L441-F491 HydrophobicContact CD1-CB 4.44Å; L441-F491 HydrophobicContact CD1-CD1 4.28Å; L441-F491 HydrophobicContact CD1-CD2 4.45Å; L441-F491 HydrophobicContact CD1-CG 4.16Å; L441-F491 HydrophobicContact CD2-CB 3.73Å; L441-F491 HydrophobicContact CD2-CD2 4.18Å; L441-F491 HydrophobicContact CD2-CG 4.07Å; L449-F491 HydrophobicContact CD1-CD2 4.06Å; L449-F491 HydrophobicContact CD1-CE2 4.33Å; L449-F491 HydrophobicContact CD2-CD2 4.27Å; I453-F491 HydrophobicContact CD1-CD2 4.34Å; I453-F491 HydrophobicContact CD1-CE2 4.13Å; Y470-F491 HydrophobicContact CD1-CE2 4.41Å; Y470-F491 AromaticContact CD1-CZ 3.89Å; Y470-F491 HydrophobicContact CD1-CZ 3.89Å; V473-F491 HydrophobicContact CB-CE1 3.89Å; V473-F491 HydrophobicContact CB-CZ 4.29Å; V473-F491 HydrophobicContact CG1-CD1 4.08Å; V473-F491 HydrophobicContact CG1-CE1 3.47Å; V473-F491 VanDerWaalsContact CG1-CE1 3.47Å; V473-F491 HydrophobicContact CG1-CZ 3.94Å; R474-F491 HydrophobicContact CG-CD1 3.67Å; R474-F491 HydrophobicContact CG-CE1 3.63Å; L477-F491 HydrophobicContact CD1-CB 4.24Å; L477-F491 HydrophobicContact CD1-CD1 3.85Å; L477-F491 HydrophobicContact CD1-CG 4.41Å; M487-F491 WeakPolarHBondContact O-CB 3.49Å; M487-F491 PolarHBondContact O-N 2.94Å; S488-F491 PolarHBondContact O-N 3Å; S489-F491 VanDerWaalsContact C-N 3.34Å; F491-G493 VanDerWaalsContact C-N 3.29Å; F491-G493 PolarHBondContact O-N 3.17Å; F491-A494 PolarHBondContact O-N 3.06Å; F491-A494 VanDerWaalsContact O-N 3.1Å; F491-L495 HydrophobicContact CD1-CD1 4.06Å; F491-L495 HydrophobicContact CD2-CD1 4.08Å; F491-L495 HydrophobicContact CD2-CD2 4.5Å; F491-L495 HydrophobicContact CD2-CG 3.99Å; F491-L495 HydrophobicContact CE1-CD1 3.85Å; F491-L495 HydrophobicContact CE2-CD1 3.88Å; F491-L495 HydrophobicContact CE2-CD2 3.87Å; F491-L495 HydrophobicContact CE2-CG 3.81Å; F491-L495 HydrophobicContact CG-CD1 4.18Å; F491-L495 HydrophobicContact CZ-CD1 3.76Å; F491-L495 HydrophobicContact CZ-CD2 4.17Å; F491-L495 HydrophobicContact CZ-CG 4.18Å; F491-L495 WeakPolarHBondContact O-CG 3.47Å; F491-L495 PolarHBondContact O-N 3.29Å
492	D	93	Very high	87	Confident	31 Å²	31	52.8 Å²	52.8	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-43.4	176.4	-77	0	0	0	0	111.1	R474 S488 A494 L495 I496 A525	R474-D492 IonicContact CZ-OD1 2.79Å; R474-D492 IonicContact CZ-OD2 3.68Å; R474-D492 IonicContact NE-OD1 3.27Å; R474-D492 PolarHBondContact NE-OD1 2.89Å; R474-D492 IonicContact NE-OD2 3.94Å; R474-D492 IonicContact NH2-OD1 3.35Å; R474-D492 PolarHBondContact NH2-OD1 2.89Å; R474-D492 IonicContact NH2-OD2 3.38Å; R474-D492 PolarHBondContact NH2-OD2 3.11Å; R474-D492 VanDerWaalsContact NH2-OD2 3.13Å; S488-D492 WeakPolarHBondContact O-CB 3.39Å; S488-D492 VanDerWaalsContact O-CG 3.3Å; S488-D492 PolarHBondContact O-N 3.47Å; D492-A494 PolarHBondContact O-N 3.13Å; D492-L495 PolarHBondContact O-N 3.27Å; D492-I496 WeakPolarHBondContact O-CB 3.13Å; D492-I496 WeakPolarHBondContact O-CG1 3.5Å; D492-I496 PolarHBondContact O-N 2.97Å; D492-A525 HydrophobicContact CB-CB 3.71Å; D492-A525 WeakPolarHBondContact OD1-CB 3.37Å
493	G	93.5	Very high	88.9	Confident	40 Å²	40	47.1 Å²	47.1	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-44	175.3	0	0	0	0	0	113.2	S489 F491 E497	S489-G493 PolarHBondContact O-N 3.47Å; F491-G493 VanDerWaalsContact C-N 3.29Å; F491-G493 PolarHBondContact O-N 3.17Å; G493-E497 WeakPolarHBondContact O-CB 3.26Å; G493-E497 PolarHBondContact O-N 2.88Å
494	A	94.6	Very high	90.4	Very high	10 Å²	10	49.6 Å²	49.6	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-70.4	-37.1	179.2	0	0	0	0	0	112.9	L449 R450 I453 M490 F491 D492 Y498	L449-A494 HydrophobicContact CD2-CB 3.85Å; L449-A494 HydrophobicContact CG-CB 4.12Å; R450-A494 HydrophobicContact CG-CB 4.26Å; I453-A494 HydrophobicContact CD1-CB 3.65Å; M490-A494 PolarHBondContact O-N 2.97Å; M490-A494 VanDerWaalsContact O-N 3.15Å; F491-A494 PolarHBondContact O-N 3.06Å; F491-A494 VanDerWaalsContact O-N 3.1Å; D492-A494 PolarHBondContact O-N 3.13Å; A494-Y498 WeakPolarHBondContact O-CB 3.37Å; A494-Y498 PolarHBondContact O-N 3.01Å; A494-Y498 VanDerWaalsContact O-N 3.08Å
495	L	95.1	Very high	91.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-43.8	175.7	-70.1	174.3	0	0	0	111.6	I453 Y470 R474 F491 D492 Y498 A499 L529	I453-L495 HydrophobicContact CD1-CD2 4.03Å; I453-L495 HydrophobicContact CD1-CG 4.45Å; I453-L495 HydrophobicContact CG1-CD2 4.47Å; Y470-L495 HydrophobicContact CD1-CD2 3.85Å; Y470-L495 HydrophobicContact CD2-CD2 3.96Å; Y470-L495 HydrophobicContact CE1-CD2 4.05Å; Y470-L495 HydrophobicContact CE2-CD2 4.17Å; Y470-L495 HydrophobicContact CG-CD2 3.79Å; R474-L495 HydrophobicContact CG-CD1 4.42Å; F491-L495 HydrophobicContact CD1-CD1 4.06Å; F491-L495 HydrophobicContact CD2-CD1 4.08Å; F491-L495 HydrophobicContact CD2-CD2 4.5Å; F491-L495 HydrophobicContact CD2-CG 3.99Å; F491-L495 HydrophobicContact CE1-CD1 3.85Å; F491-L495 HydrophobicContact CE2-CD1 3.88Å; F491-L495 HydrophobicContact CE2-CD2 3.87Å; F491-L495 HydrophobicContact CE2-CG 3.81Å; F491-L495 HydrophobicContact CG-CD1 4.18Å; F491-L495 HydrophobicContact CZ-CD1 3.76Å; F491-L495 HydrophobicContact CZ-CD2 4.17Å; F491-L495 HydrophobicContact CZ-CG 4.18Å; F491-L495 WeakPolarHBondContact O-CG 3.47Å; F491-L495 PolarHBondContact O-N 3.29Å; D492-L495 PolarHBondContact O-N 3.27Å; L495-Y498 PolarHBondContact O-N 2.87Å; L495-A499 WeakPolarHBondContact O-CB 3.31Å; L495-A499 PolarHBondContact O-N 2.92Å; L495-L529 HydrophobicContact CB-CD2 4.37Å; L495-L529 HydrophobicContact CD1-CD1 4.4Å; L495-L529 HydrophobicContact CD2-CD2 4.39Å
496	I	95	Very high	91.9	Very high	46 Å²	46	46.9 Å²	46.9	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-44.8	176.8	-68	168.4	0	0	0	110.6	D492 Y498 A499 A500 A525 W528	D492-I496 WeakPolarHBondContact O-CB 3.13Å; D492-I496 WeakPolarHBondContact O-CG1 3.5Å; D492-I496 PolarHBondContact O-N 2.97Å; I496-Y498 VanDerWaalsContact C-N 3.32Å; I496-Y498 PolarHBondContact O-N 2.79Å; I496-A499 PolarHBondContact O-N 3.32Å; I496-A500 VanDerWaalsContact O-CB 3.23Å; I496-A500 WeakPolarHBondContact O-CB 3.41Å; I496-A500 PolarHBondContact O-N 3.24Å; I496-A525 HydrophobicContact CD1-CB 4.28Å; I496-A525 HydrophobicContact CG1-CB 4.31Å; I496-W528 HydrophobicContact CB-CG 4.37Å; I496-W528 HydrophobicContact CG1-CB 4.08Å; I496-W528 HydrophobicContact CG1-CG 3.92Å; I496-W528 HydrophobicContact CG2-CD2 3.93Å; I496-W528 HydrophobicContact CG2-CG 3.97Å
497	E	94.7	Very high	92.3	Very high	99 Å²	99	45.7 Å²	45.7	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-57.4	-45.6	176.6	-176.4	-176.2	160.7	0	0	111.6	R450 G493 T501	R450-E497 WeakPolarHBondContact CD-OE1 3.28Å; R450-E497 VanDerWaalsContact CD-OE2 3.27Å; R450-E497 WeakPolarHBondContact CD-OE2 3.42Å; R450-E497 IonicContact NH1-OE2 3.95Å; G493-E497 WeakPolarHBondContact O-CB 3.26Å; G493-E497 PolarHBondContact O-N 2.88Å; E497-T501 WeakPolarHBondContact O-CB 3.41Å; E497-T501 PolarHBondContact O-N 3.01Å; E497-T501 PolarHBondContact O-OG1 2.91Å
498	Y	94.5	Very high	92.4	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-49.7	178.6	-171.4	-105.9	0	0	0	112	I453 I454 G457 A494 L495 I496 A500 T501 S502 W532	I453-Y498 HydrophobicContact CG2-CD1 3.75Å; I453-Y498 HydrophobicContact CG2-CD2 4.08Å; I453-Y498 HydrophobicContact CG2-CE1 4.38Å; I453-Y498 HydrophobicContact CG2-CG 3.57Å; I454-Y498 HydrophobicContact CB-CE2 4.19Å; I454-Y498 HydrophobicContact CG1-CD2 3.77Å; I454-Y498 HydrophobicContact CG1-CE2 3.73Å; G457-Y498 WeakPolarHBondContact CA-OH 3.25Å; A494-Y498 WeakPolarHBondContact O-CB 3.37Å; A494-Y498 PolarHBondContact O-N 3.01Å; A494-Y498 VanDerWaalsContact O-N 3.08Å; L495-Y498 PolarHBondContact O-N 2.87Å; I496-Y498 VanDerWaalsContact C-N 3.32Å; I496-Y498 PolarHBondContact O-N 2.79Å; Y498-A500 VanDerWaalsContact C-N 3.33Å; Y498-A500 PolarHBondContact O-N 2.86Å; Y498-T501 WeakPolarHBondContact O-CB 3.32Å; Y498-T501 PolarHBondContact O-N 3.35Å; Y498-T501 VanDerWaalsContact O-N 3.1Å; Y498-S502 PolarHBondContact O-N 2.92Å; Y498-S502 PolarHBondContact O-OG 3.5Å; Y498-W532 HydrophobicContact CD1-CE3 4.42Å; Y498-W532 AromaticContact CD1-CH2 3.94Å; Y498-W532 HydrophobicContact CD1-CH2 3.94Å; Y498-W532 HydrophobicContact CD1-CZ2 4.3Å; Y498-W532 AromaticContact CD1-CZ3 3.96Å; Y498-W532 HydrophobicContact CD1-CZ3 3.96Å; Y498-W532 AromaticContact CE1-CH2 3.42Å; Y498-W532 HydrophobicContact CE1-CH2 3.42Å; Y498-W532 VanDerWaalsContact CE1-CH2 3.42Å; Y498-W532 AromaticContact CE1-CZ2 3.57Å; Y498-W532 HydrophobicContact CE1-CZ2 3.57Å; Y498-W532 AromaticContact CE1-CZ3 3.94Å; Y498-W532 HydrophobicContact CE1-CZ3 3.94Å
499	A	94.4	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.1	-45.5	177.1	0	0	0	0	0	111.8	L495 I496 T501 S502 L503 W528 W532	L495-A499 WeakPolarHBondContact O-CB 3.31Å; L495-A499 PolarHBondContact O-N 2.92Å; I496-A499 PolarHBondContact O-N 3.32Å; A499-T501 VanDerWaalsContact C-N 3.3Å; A499-T501 PolarHBondContact O-N 3.34Å; A499-S502 PolarHBondContact O-N 3.38Å; A499-L503 WeakPolarHBondContact O-CB 3.45Å; A499-L503 VanDerWaalsContact O-CG 3.26Å; A499-L503 WeakPolarHBondContact O-CG 3.49Å; A499-L503 PolarHBondContact O-N 2.87Å; A499-W528 HydrophobicContact CB-CB 4.14Å; A499-W532 HydrophobicContact CB-CB 4.04Å
500	A	94.9	Very high	92.3	Very high	37 Å²	37	62.1 Å²	62.1	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-38.9	176.8	0	0	0	0	0	112.3	I496 Y498 F504 W528	I496-A500 VanDerWaalsContact O-CB 3.23Å; I496-A500 WeakPolarHBondContact O-CB 3.41Å; I496-A500 PolarHBondContact O-N 3.24Å; Y498-A500 VanDerWaalsContact C-N 3.33Å; Y498-A500 PolarHBondContact O-N 2.86Å; A500-F504 PolarHBondContact O-N 3.23Å; A500-W528 HydrophobicContact CB-CE3 4.26Å; A500-W528 HydrophobicContact CB-CZ3 3.84Å
501	T	93.5	Very high	92.2	Very high	69 Å²	69	62 Å²	62	42%	0.423	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-46.8	175.2	-56.3	0	0	0	0	111	E497 Y498 A499 L503 F504 E505	E497-T501 WeakPolarHBondContact O-CB 3.41Å; E497-T501 PolarHBondContact O-N 3.01Å; E497-T501 PolarHBondContact O-OG1 2.91Å; Y498-T501 WeakPolarHBondContact O-CB 3.32Å; Y498-T501 PolarHBondContact O-N 3.35Å; Y498-T501 VanDerWaalsContact O-N 3.1Å; A499-T501 VanDerWaalsContact C-N 3.3Å; A499-T501 PolarHBondContact O-N 3.34Å; T501-L503 PolarHBondContact O-N 3.42Å; T501-F504 WeakPolarHBondContact O-CB 3.27Å; T501-F504 PolarHBondContact O-N 3.46Å; T501-E505 PolarHBondContact O-N 3.04Å
502	S	92	Very high	92.1	Very high	10 Å²	10	68.7 Å²	68.7	7%	0.07	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-40.9	177.1	-59.6	0	0	0	0	112.4	Y498 A499 F504 E505 M506 W532	Y498-S502 PolarHBondContact O-N 2.92Å; Y498-S502 PolarHBondContact O-OG 3.5Å; A499-S502 PolarHBondContact O-N 3.38Å; S502-F504 VanDerWaalsContact C-N 3.33Å; S502-F504 PolarHBondContact O-N 3.18Å; S502-E505 PolarHBondContact O-N 3.44Å; S502-M506 WeakPolarHBondContact O-CG 3.49Å; S502-M506 PolarHBondContact O-N 2.94Å; S502-W532 VanDerWaalsContact CB-CD1 3.5Å
503	L	93.9	Very high	92.1	Very high	11 Å²	11	71.4 Å²	71.4	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-42.9	173.7	-72.2	176.8	0	0	0	111.9	A499 T501 M506 R507 W528 A531 I541 V543	A499-L503 WeakPolarHBondContact O-CB 3.45Å; A499-L503 VanDerWaalsContact O-CG 3.26Å; A499-L503 WeakPolarHBondContact O-CG 3.49Å; A499-L503 PolarHBondContact O-N 2.87Å; T501-L503 PolarHBondContact O-N 3.42Å; L503-M506 PolarHBondContact O-N 3.45Å; L503-R507 WeakPolarHBondContact O-CG 3.36Å; L503-R507 PolarHBondContact O-N 3.47Å; L503-W528 HydrophobicContact CD1-CE3 3.99Å; L503-W528 HydrophobicContact CD1-CZ3 3.95Å; L503-A531 HydrophobicContact CD1-CB 3.92Å; L503-A531 HydrophobicContact CD2-CB 4.38Å; L503-A531 WeakPolarHBondContact CD2-O 3.5Å; L503-I541 HydrophobicContact CD2-CB 4.06Å; L503-V543 HydrophobicContact CD1-CG2 4.16Å
504	F	93.4	Very high	92.2	Very high	142 Å²	142	69.6 Å²	69.6	62%	0.623	34%	0.341	S	S	*	.	H	α-helix	trans	-64.3	-40.4	177.2	-177.7	-97.4	0	0	0	112.1	A500 T501 S502 R507	A500-F504 PolarHBondContact O-N 3.23Å; T501-F504 WeakPolarHBondContact O-CB 3.27Å; T501-F504 PolarHBondContact O-N 3.46Å; S502-F504 VanDerWaalsContact C-N 3.33Å; S502-F504 PolarHBondContact O-N 3.18Å; F504-R507 PolarHBondContact O-N 3.27Å
505	E	89.7	Confident	92.2	Very high	118 Å²	118	70 Å²	70	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-40.8	176	-71.4	-174.9	167.1	0	0	112.4	T501 S502 R507 R508	T501-E505 PolarHBondContact O-N 3.04Å; S502-E505 PolarHBondContact O-N 3.44Å; E505-R507 VanDerWaalsContact C-N 3.31Å; E505-R507 PolarHBondContact O-N 3.4Å; E505-R508 WeakPolarHBondContact O-CB 3.45Å; E505-R508 PolarHBondContact O-N 3.4Å; E505-R508 VanDerWaalsContact O-N 3.14Å
506	M	88.5	Confident	92.2	Very high	36 Å²	36	69.9 Å²	69.9	18%	0.177	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-30.6	-179.7	-70.9	-61.5	-86.5	0	0	113	S502 L503 R508 K509 S535 L536 H540	S502-M506 WeakPolarHBondContact O-CG 3.49Å; S502-M506 PolarHBondContact O-N 2.94Å; L503-M506 PolarHBondContact O-N 3.45Å; M506-R508 PolarHBondContact O-N 2.99Å; M506-K509 WeakPolarHBondContact O-CB 3.46Å; M506-K509 PolarHBondContact O-N 3.28Å; M506-K509 HydrophobicContact SD-CD 4.07Å; M506-S535 WeakPolarHBondContact CE-O 3.3Å; M506-L536 HydrophobicContact CE-CD2 3.84Å; M506-L536 HydrophobicContact SD-CD2 4.43Å; M506-H540 PolarHBondContact O-NE2 2.91Å
507	R	89.8	Confident	92.2	Very high	105 Å²	105	67.8 Å²	67.8	40%	0.396	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.8	173.3	-71.3	174.2	-174.9	-106.5	0.5	114.2	L503 F504 E505 K509 H540 I541 S542	L503-R507 WeakPolarHBondContact O-CG 3.36Å; L503-R507 PolarHBondContact O-N 3.47Å; F504-R507 PolarHBondContact O-N 3.27Å; E505-R507 VanDerWaalsContact C-N 3.31Å; E505-R507 PolarHBondContact O-N 3.4Å; R507-K509 VanDerWaalsContact C-N 3.3Å; R507-H540 HydrophobicContact CG-CB 4.37Å; R507-I541 PolarHBondContact NH2-O 3.36Å; R507-S542 PolarHBondContact NH2-OG 2.95Å
508	R	88.6	Confident	92.1	Very high	212 Å²	212	63.1 Å²	63.1	80%	0.8	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.1	175.9	-56.6	178.8	67.1	175.7	1.1	112.8	E505 M506	E505-R508 WeakPolarHBondContact O-CB 3.45Å; E505-R508 PolarHBondContact O-N 3.4Å; E505-R508 VanDerWaalsContact O-N 3.14Å; M506-R508 PolarHBondContact O-N 2.99Å
509	K	87.6	Confident	91.9	Very high	129 Å²	129	62.2 Å²	62.2	56%	0.561	31%	0.305	S	S	*	.	S	Bend	trans	-101.2	164.3	176.1	-62.6	177.8	-177	171.4	0	109.5	M506 R507 H540	M506-K509 WeakPolarHBondContact O-CB 3.46Å; M506-K509 PolarHBondContact O-N 3.28Å; M506-K509 HydrophobicContact SD-CD 4.07Å; R507-K509 VanDerWaalsContact C-N 3.3Å; K509-H540 PolarHBondContact O-CE1 3.15Å; K509-H540 VanDerWaalsContact O-CE1 3.25Å; K509-H540 PolarHBondContact O-NE2 2.87Å
510	P	86.6	Confident	91.4	Very high	132 Å²	132	68 Å²	68	86%	0.857	34%	0.336	S	S	*	.			trans	-64.9	136.4	171.2	-18.3	31.6	0	0	0	110.9
511	G	88.7	Confident	90.9	Very high	36 Å²	36	67.1 Å²	67.1	37%	0.371	33%	0.327	S	S	.	.			trans	-168	168.8	-179.1	0	0	0	0	0	112.9	G538	G511-G538 CarbonylContact C-O 3.25Å; G511-G538 WeakPolarHBondContact CA-O 3.44Å
512	K	91	Very high	90.4	Very high	141 Å²	141	72.1 Å²	72.1	61%	0.613	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.7	178	-65	176.5	-176.9	173.4	0	110.1	G538 W539 H540	K512-G538 PolarHBondContact N-O 2.88Å; K512-W539 HydrophobicContact CB-CD2 4.3Å; K512-W539 HydrophobicContact CB-CE3 3.54Å; K512-W539 HydrophobicContact CB-CH2 4.33Å; K512-W539 HydrophobicContact CB-CZ3 3.56Å; K512-W539 HydrophobicContact CD-CH2 4.12Å; K512-W539 HydrophobicContact CD-CZ3 4.19Å; K512-W539 CarbonylContact O-C 3.57Å; K512-W539 WeakPolarHBondContact O-CA 3.43Å; K512-H540 PolarHBondContact O-N 2.94Å
513	E	93.9	Very high	90.1	Very high	89 Å²	89	75 Å²	75	42%	0.416	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.7	176.9	-62.8	-67.1	148.8	0	0	111.5	H540	E513-H540 WeakPolarHBondContact OE1-CB 3.39Å; E513-H540 IonicContact OE1-CG 2.81Å; E513-H540 IonicContact OE1-ND1 3.15Å; E513-H540 PolarHBondContact OE1-ND1 3.36Å
514	A	95.6	Very high	89.8	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.008	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.3	170.4	0	0	0	0	0	112.1	W539 H540 I541 S542 T560 I562	A514-W539 HydrophobicContact CB-CD2 4.29Å; A514-W539 HydrophobicContact CB-CE3 3.49Å; A514-W539 VanDerWaalsContact CB-CE3 3.49Å; A514-W539 HydrophobicContact CB-CZ3 3.84Å; A514-H540 PolarHBondContact N-O 2.99Å; A514-I541 HydrophobicContact CB-CD1 4.07Å; A514-I541 WeakPolarHBondContact O-CA 3.31Å; A514-S542 PolarHBondContact O-N 2.96Å; A514-T560 CarbonylContact C-O 3.6Å; A514-T560 VanDerWaalsContact CA-O 3.26Å; A514-T560 WeakPolarHBondContact CA-O 3.41Å; A514-T560 HydrophobicContact CB-CG2 4.41Å; A514-I562 HydrophobicContact CB-CD1 3.67Å; A514-I562 HydrophobicContact CB-CG1 4Å
515	I	95.6	Very high	89.6	Confident	18 Å²	18	74.4 Å²	74.4	9%	0.092	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.7	173.6	-58.5	175.6	0	0	0	108.2	S542 L544 F556 Q559 T560 L561 I562	I515-S542 CarbonylContact C-O 3.51Å; I515-S542 VanDerWaalsContact CA-O 3.25Å; I515-S542 WeakPolarHBondContact CA-O 3.45Å; I515-L544 HydrophobicContact CG2-CD1 4.15Å; I515-L544 HydrophobicContact CG2-CD2 4.24Å; I515-L544 HydrophobicContact CG2-CG 3.75Å; I515-F556 HydrophobicContact CD1-CB 4.47Å; I515-F556 HydrophobicContact CD1-CD1 3.51Å; I515-F556 HydrophobicContact CD1-CE1 3.83Å; I515-F556 HydrophobicContact CD1-CG 4.02Å; I515-Q559 HydrophobicContact CD1-CB 3.98Å; I515-Q559 HydrophobicContact CD1-CG 3.99Å; I515-Q559 HydrophobicContact CG1-CB 4.42Å; I515-T560 PolarHBondContact N-O 3.3Å; I515-L561 HydrophobicContact CB-CD2 3.79Å; I515-L561 HydrophobicContact CD1-CD2 4.18Å; I515-L561 HydrophobicContact CG1-CD2 4.42Å; I515-L561 HydrophobicContact CG2-CD2 4.3Å; I515-I562 PolarHBondContact O-N 2.96Å
516	L	95.1	Very high	89.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.7	174.5	-178.2	68.6	0	0	0	110	L527 E530 A531 L534 I541 S542 L544 I562 W564	L516-L527 HydrophobicContact CD2-CD1 3.7Å; L516-L527 HydrophobicContact CG-CD1 3.76Å; L516-E530 HydrophobicContact CD2-CB 4.43Å; L516-A531 HydrophobicContact CD2-CB 3.69Å; L516-L534 HydrophobicContact CD1-CD1 3.82Å; L516-L534 HydrophobicContact CD2-CD1 4.17Å; L516-I541 HydrophobicContact CB-CG2 3.52Å; L516-I541 HydrophobicContact CD2-CG2 4.35Å; L516-S542 PolarHBondContact N-O 2.76Å; L516-L544 PolarHBondContact O-N 2.88Å; L516-I562 WeakPolarHBondContact CA-O 3.4Å; L516-I562 HydrophobicContact CD1-CB 3.86Å; L516-I562 HydrophobicContact CD1-CG2 3.53Å; L516-W564 HydrophobicContact CD1-CB 4.14Å
517	M	93.9	Very high	89.9	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.3	176.4	61.2	-177.5	57.1	0	0	112.1	L544 I548 P551 F556 L561 I562 V563 W564	M517-L544 HydrophobicContact CB-CB 4.33Å; M517-L544 HydrophobicContact CB-CD1 4.01Å; M517-L544 HydrophobicContact CB-CG 4.47Å; M517-L544 HydrophobicContact CE-CD1 3.67Å; M517-I548 HydrophobicContact CB-CG1 4.35Å; M517-P551 HydrophobicContact SD-CB 3.75Å; M517-P551 HydrophobicContact SD-CG 4.18Å; M517-F556 HydrophobicContact CE-CE2 4.45Å; M517-L561 HydrophobicContact CE-CD1 4.2Å; M517-L561 HydrophobicContact CE-CD2 3.94Å; M517-L561 HydrophobicContact CE-CG 4.49Å; M517-I562 PolarHBondContact N-O 3.27Å; M517-V563 HydrophobicContact CG-CB 4.43Å; M517-V563 HydrophobicContact CG-CG1 4.39Å; M517-V563 HydrophobicContact CG-CG2 4.02Å; M517-V563 HydrophobicContact SD-CG2 4.06Å; M517-W564 PolarHBondContact O-N 2.76Å
518	A	92.4	Very high	90.1	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.4	168.3	0	0	0	0	0	109.5	V521 L527 I548 W564	A518-V521 HydrophobicContact CB-CB 4.26Å; A518-L527 HydrophobicContact CB-CD1 4.02Å; A518-L527 HydrophobicContact CB-CD2 3.93Å; A518-L527 HydrophobicContact CB-CG 4.44Å; A518-I548 PolarHBondContact O-N 3.43Å; A518-W564 CarbonylContact C-O 3.57Å; A518-W564 WeakPolarHBondContact CA-O 3.45Å; A518-W564 HydrophobicContact CB-CE3 4Å; A518-W564 HydrophobicContact CB-CZ3 4.26Å
519	W	90.7	Very high	90.4	Very high	16 Å²	16	56.9 Å²	56.9	6%	0.061	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-96.1	106.1	174.8	-178.9	7.7	0	0	0	110.2	V521 I548 E549 P551 V563 W564 T565 Q573 L576 L577 W580	W519-V521 VanDerWaalsContact C-N 3.31Å; W519-V521 PolarHBondContact O-N 2.84Å; W519-I548 WeakPolarHBondContact CA-O 3.32Å; W519-E549 PolarHBondContact NE1-O 3.42Å; W519-P551 HydrophobicContact CB-CG 4.04Å; W519-P551 HydrophobicContact CD2-CG 3.55Å; W519-P551 HydrophobicContact CE3-CG 3.95Å; W519-P551 HydrophobicContact CG-CG 3.65Å; W519-P551 HydrophobicContact CZ2-CG 4.3Å; W519-P551 HydrophobicContact CZ3-CG 4.42Å; W519-P551 VanDerWaalsContact NE1-CD 3.34Å; W519-V563 HydrophobicContact CB-CG1 3.48Å; W519-V563 VanDerWaalsContact CB-CG1 3.48Å; W519-V563 HydrophobicContact CD2-CG1 4.19Å; W519-V563 HydrophobicContact CE3-CG1 3.59Å; W519-V563 HydrophobicContact CG-CG1 4.23Å; W519-W564 PolarHBondContact N-O 3.47Å; W519-T565 HydrophobicContact CB-CG2 3.93Å; W519-T565 HydrophobicContact CD2-CG2 4.45Å; W519-T565 HydrophobicContact CE3-CG2 4.26Å; W519-T565 HydrophobicContact CG-CG2 4.32Å; W519-Q573 HydrophobicContact CD2-CG 4.04Å; W519-Q573 HydrophobicContact CE3-CB 4.14Å; W519-Q573 HydrophobicContact CE3-CG 3.9Å; W519-Q573 HydrophobicContact CH2-CB 3.78Å; W519-Q573 HydrophobicContact CH2-CG 3.63Å; W519-Q573 HydrophobicContact CZ2-CB 4.36Å; W519-Q573 HydrophobicContact CZ2-CG 3.69Å; W519-Q573 HydrophobicContact CZ3-CB 3.63Å; W519-Q573 HydrophobicContact CZ3-CG 3.71Å; W519-L576 HydrophobicContact CH2-CB 3.85Å; W519-L576 HydrophobicContact CH2-CD1 3.66Å; W519-L576 HydrophobicContact CH2-CG 4.42Å; W519-L576 HydrophobicContact CZ2-CD1 3.69Å; W519-L577 HydrophobicContact CZ3-CG 4.25Å; W519-W580 AromaticContact CH2-CH2 3.6Å; W519-W580 HydrophobicContact CH2-CH2 3.6Å; W519-W580 AromaticContact CH2-CZ3 3.89Å; W519-W580 HydrophobicContact CH2-CZ3 3.89Å; W519-W580 HydrophobicContact CZ2-CH2 4.15Å; W519-W580 HydrophobicContact CZ3-CH2 4.01Å; W519-W580 AromaticContact CZ3-CZ3 3.86Å; W519-W580 HydrophobicContact CZ3-CZ3 3.86Å
520	N	84.7	Confident	90.6	Very high	121 Å²	121	50.7 Å²	50.7	65%	0.647	25%	0.251	S	S	*	.	S	Bend	trans	60.6	35.5	178.6	-157.7	41.9	0	0	0	113.7	I548	N520-I548 PolarHBondContact N-O 2.87Å
521	V	83.8	Confident	91	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.115	21%	0.211	C	C	.	.			trans	-128.1	121.4	179.3	-178	0	0	0	0	110.8	A518 W519 E523 P547 W564 T565	A518-V521 HydrophobicContact CB-CB 4.26Å; W519-V521 VanDerWaalsContact C-N 3.31Å; W519-V521 PolarHBondContact O-N 2.84Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 HydrophobicContact CG1-CB 3.93Å; V521-E523 HydrophobicContact CG1-CG 4.25Å; V521-E523 PolarHBondContact O-N 3.09Å; V521-P547 VanDerWaalsContact O-CB 3.3Å; V521-P547 WeakPolarHBondContact O-CB 3.41Å; V521-P547 VanDerWaalsContact O-CG 3.24Å; V521-P547 WeakPolarHBondContact O-CG 3.2Å; V521-W564 HydrophobicContact CB-CE3 4.47Å; V521-W564 HydrophobicContact CB-CZ3 4.01Å; V521-W564 HydrophobicContact CG1-CE3 4.38Å; V521-W564 HydrophobicContact CG1-CH2 3.65Å; V521-W564 HydrophobicContact CG1-CZ3 3.51Å; V521-T565 WeakPolarHBondContact CG2-O 3.4Å
522	E	82.7	Confident	91.2	Very high	175 Å²	175	43.4 Å²	43.4	82%	0.818	20%	0.196	S	C	*	.			trans	-85.5	0.5	-178.3	-62.9	-169.6	166.7	0	0	114.6	R524	E522-R524 PolarHBondContact O-N 2.65Å
523	E	86	Confident	91.2	Very high	69 Å²	69	37.9 Å²	37.9	32%	0.322	17%	0.171	S	C	.	.			trans	-77.9	75.8	-178.7	-67.9	-160	-104.7	0	0	113.8	R474 V521 A525 R526 L527 W564	R474-E523 IonicContact CZ-OE2 2.74Å; R474-E523 IonicContact NH1-OE2 3.91Å; R474-E523 PolarHBondContact NH1-OE2 3.16Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 HydrophobicContact CG1-CB 3.93Å; V521-E523 HydrophobicContact CG1-CG 4.25Å; V521-E523 PolarHBondContact O-N 3.09Å; E523-A525 PolarHBondContact O-N 2.94Å; E523-R526 HydrophobicContact CB-CB 3.88Å; E523-R526 PolarHBondContact O-N 3.42Å; E523-R526 IonicContact OE1-NH1 2.69Å; E523-R526 PolarHBondContact OE1-NH1 3.44Å; E523-L527 PolarHBondContact O-N 3.42Å; E523-L527 VanDerWaalsContact O-N 3.09Å; E523-W564 HydrophobicContact CB-CH2 4.22Å
524	R	87.5	Confident	91.1	Very high	140 Å²	140	34.4 Å²	34.4	53%	0.528	16%	0.155	S	C	.	.	H	α-helix	trans	-54.7	-48.9	-177.6	-62.6	-179.9	-178.4	-170.4	-9.6	113.6	E522 R526 L527 W528 D546	E522-R524 PolarHBondContact O-N 2.65Å; R524-R526 VanDerWaalsContact C-N 3.3Å; R524-R526 PolarHBondContact O-N 3.07Å; R524-L527 WeakPolarHBondContact O-CB 3.49Å; R524-L527 PolarHBondContact O-N 3.48Å; R524-W528 VanDerWaalsContact O-CD1 3.23Å; R524-W528 PolarHBondContact O-N 3.14Å; R524-D546 IonicContact CZ-OD1 3.9Å; R524-D546 IonicContact NH2-OD1 3.43Å; R524-D546 PolarHBondContact NH2-OD1 3.49Å
525	A	89.7	Confident	90.9	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-37.2	-177.9	0	0	0	0	0	112.4	D492 I496 E523 W528 L529	D492-A525 HydrophobicContact CB-CB 3.71Å; D492-A525 WeakPolarHBondContact OD1-CB 3.37Å; I496-A525 HydrophobicContact CD1-CB 4.28Å; I496-A525 HydrophobicContact CG1-CB 4.31Å; E523-A525 PolarHBondContact O-N 2.94Å; A525-W528 PolarHBondContact O-N 3.45Å; A525-L529 WeakPolarHBondContact O-CG 3.43Å; A525-L529 PolarHBondContact O-N 3.07Å; A525-L529 VanDerWaalsContact O-N 3.13Å
526	R	90.7	Very high	90.4	Very high	42 Å²	42	38 Å²	38	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-38.8	177.7	-171	170.3	179.3	-166	-2.3	111.7	L471 E523 R524 W528 L529 E530 W564	L471-R526 HydrophobicContact CD2-CG 4.03Å; E523-R526 HydrophobicContact CB-CB 3.88Å; E523-R526 PolarHBondContact O-N 3.42Å; E523-R526 IonicContact OE1-NH1 2.69Å; E523-R526 PolarHBondContact OE1-NH1 3.44Å; R524-R526 VanDerWaalsContact C-N 3.3Å; R524-R526 PolarHBondContact O-N 3.07Å; R526-W528 VanDerWaalsContact C-N 3.26Å; R526-W528 PolarHBondContact O-N 3.41Å; R526-L529 WeakPolarHBondContact O-CB 3.28Å; R526-L529 PolarHBondContact O-N 3.37Å; R526-E530 HydrophobicContact CG-CG 4.48Å; R526-E530 WeakPolarHBondContact O-CG 3.45Å; R526-E530 PolarHBondContact O-N 3.42Å; R526-W564 HydrophobicContact CB-CH2 3.84Å; R526-W564 HydrophobicContact CB-CZ2 4.32Å; R526-W564 HydrophobicContact CG-CH2 3.67Å; R526-W564 HydrophobicContact CG-CZ2 3.62Å
527	L	93.1	Very high	89.9	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-54.6	-41.9	172.7	177.8	64.9	0	0	0	112.3	L516 A518 E523 R524 E530 A531 V543 L544 W564	L516-L527 HydrophobicContact CD2-CD1 3.7Å; L516-L527 HydrophobicContact CG-CD1 3.76Å; A518-L527 HydrophobicContact CB-CD1 4.02Å; A518-L527 HydrophobicContact CB-CD2 3.93Å; A518-L527 HydrophobicContact CB-CG 4.44Å; E523-L527 PolarHBondContact O-N 3.42Å; E523-L527 VanDerWaalsContact O-N 3.09Å; R524-L527 WeakPolarHBondContact O-CB 3.49Å; R524-L527 PolarHBondContact O-N 3.48Å; L527-E530 PolarHBondContact O-N 3.33Å; L527-A531 PolarHBondContact O-N 3.13Å; L527-V543 HydrophobicContact CD2-CG1 3.65Å; L527-V543 HydrophobicContact CG-CG1 3.77Å; L527-L544 VanDerWaalsContact CD2-O 3.31Å; L527-L544 WeakPolarHBondContact CD2-O 3.36Å; L527-W564 HydrophobicContact CB-CE3 4.35Å; L527-W564 HydrophobicContact CB-CZ3 4.07Å; L527-W564 HydrophobicContact CD1-CE3 3.92Å; L527-W564 HydrophobicContact CD1-CZ3 4.47Å
528	W	94.6	Very high	89.5	Confident	56 Å²	56	43.7 Å²	43.7	21%	0.212	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-34.4	176.4	-75.1	94.1	0	0	0	113.2	I496 A499 A500 L503 R524 A525 R526 A531 W532 V543	I496-W528 HydrophobicContact CB-CG 4.37Å; I496-W528 HydrophobicContact CG1-CB 4.08Å; I496-W528 HydrophobicContact CG1-CG 3.92Å; I496-W528 HydrophobicContact CG2-CD2 3.93Å; I496-W528 HydrophobicContact CG2-CG 3.97Å; A499-W528 HydrophobicContact CB-CB 4.14Å; A500-W528 HydrophobicContact CB-CE3 4.26Å; A500-W528 HydrophobicContact CB-CZ3 3.84Å; L503-W528 HydrophobicContact CD1-CE3 3.99Å; L503-W528 HydrophobicContact CD1-CZ3 3.95Å; R524-W528 VanDerWaalsContact O-CD1 3.23Å; R524-W528 PolarHBondContact O-N 3.14Å; A525-W528 PolarHBondContact O-N 3.45Å; R526-W528 VanDerWaalsContact C-N 3.26Å; R526-W528 PolarHBondContact O-N 3.41Å; W528-A531 WeakPolarHBondContact O-CB 3.13Å; W528-A531 PolarHBondContact O-N 3.4Å; W528-W532 PolarHBondContact O-N 3.28Å; W528-V543 HydrophobicContact CD2-CG1 4.42Å; W528-V543 HydrophobicContact CD2-CG2 4.44Å; W528-V543 HydrophobicContact CE3-CG2 4.11Å; W528-V543 HydrophobicContact CH2-CB 4.25Å; W528-V543 HydrophobicContact CH2-CG2 4.49Å; W528-V543 HydrophobicContact CZ2-CB 4.28Å; W528-V543 HydrophobicContact CZ2-CG1 4.37Å; W528-V543 HydrophobicContact CZ3-CB 4.39Å; W528-V543 HydrophobicContact CZ3-CG2 4.13Å
529	L	93.7	Very high	89.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-42.9	173.2	-66.8	178.5	0	0	0	111.5	I466 Y470 L495 A525 R526 A531 W532 R533	I466-L529 HydrophobicContact CD1-CB 3.95Å; I466-L529 WeakPolarHBondContact CD1-O 3.26Å; I466-L529 HydrophobicContact CG1-CB 4.18Å; I466-L529 HydrophobicContact CG1-CD2 4.31Å; I466-L529 HydrophobicContact CG2-CB 4.37Å; I466-L529 HydrophobicContact CG2-CD1 4.3Å; Y470-L529 HydrophobicContact CD2-CD2 4.32Å; L495-L529 HydrophobicContact CB-CD2 4.37Å; L495-L529 HydrophobicContact CD1-CD1 4.4Å; L495-L529 HydrophobicContact CD2-CD2 4.39Å; A525-L529 WeakPolarHBondContact O-CG 3.43Å; A525-L529 PolarHBondContact O-N 3.07Å; A525-L529 VanDerWaalsContact O-N 3.13Å; R526-L529 WeakPolarHBondContact O-CB 3.28Å; R526-L529 PolarHBondContact O-N 3.37Å; L529-A531 VanDerWaalsContact C-N 3.32Å; L529-A531 PolarHBondContact O-N 3.35Å; L529-W532 HydrophobicContact CD2-CE3 4.18Å; L529-W532 WeakPolarHBondContact O-CB 3.49Å; L529-W532 PolarHBondContact O-N 3.36Å; L529-W532 VanDerWaalsContact O-N 3.17Å; L529-R533 PolarHBondContact O-N 2.98Å
530	E	93.1	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-35.7	175.2	-64.7	-52.6	142.5	0	0	111.9	L516 R526 L527 W532 R533 L534 W564 H590	L516-E530 HydrophobicContact CD2-CB 4.43Å; R526-E530 HydrophobicContact CG-CG 4.48Å; R526-E530 WeakPolarHBondContact O-CG 3.45Å; R526-E530 PolarHBondContact O-N 3.42Å; L527-E530 PolarHBondContact O-N 3.33Å; E530-W532 VanDerWaalsContact C-N 3.34Å; E530-W532 PolarHBondContact O-N 2.92Å; E530-R533 WeakPolarHBondContact O-CB 3.42Å; E530-R533 PolarHBondContact O-N 3.13Å; E530-R533 IonicContact OE1-CZ 2.75Å; E530-R533 IonicContact OE1-NE 3.73Å; E530-R533 IonicContact OE1-NH1 3.14Å; E530-R533 IonicContact OE1-NH2 3.65Å; E530-R533 PolarHBondContact OE1-NH2 3.49Å; E530-R533 IonicContact OE2-CZ 3.79Å; E530-R533 IonicContact OE2-NE 3.83Å; E530-R533 PolarHBondContact OE2-NE 3.07Å; E530-R533 IonicContact OE2-NH1 3.96Å; E530-R533 IonicContact OE2-NH2 3.26Å; E530-L534 WeakPolarHBondContact O-CB 3.39Å; E530-L534 WeakPolarHBondContact O-CG 3.38Å; E530-L534 PolarHBondContact O-N 3.35Å; E530-W564 HydrophobicContact CG-CD2 4.44Å; E530-W564 HydrophobicContact CG-CZ2 4.25Å; E530-H590 IonicContact OE2-CD2 2.8Å; E530-H590 IonicContact OE2-CE1 3.91Å; E530-H590 IonicContact OE2-NE2 3.24Å; E530-H590 PolarHBondContact OE2-NE2 3.32Å
531	A	94.3	Very high	90.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-44.8	170.7	0	0	0	0	0	111.9	L503 L516 L527 W528 L529 L534 S535 I541 V543	L503-A531 HydrophobicContact CD1-CB 3.92Å; L503-A531 HydrophobicContact CD2-CB 4.38Å; L503-A531 WeakPolarHBondContact CD2-O 3.5Å; L516-A531 HydrophobicContact CD2-CB 3.69Å; L527-A531 PolarHBondContact O-N 3.13Å; W528-A531 WeakPolarHBondContact O-CB 3.13Å; W528-A531 PolarHBondContact O-N 3.4Å; L529-A531 VanDerWaalsContact C-N 3.32Å; L529-A531 PolarHBondContact O-N 3.35Å; A531-L534 PolarHBondContact O-N 3.42Å; A531-S535 PolarHBondContact O-N 3.37Å; A531-I541 HydrophobicContact CB-CB 4.42Å; A531-I541 HydrophobicContact CB-CG2 3.77Å; A531-V543 HydrophobicContact CB-CG2 3.43Å; A531-V543 VanDerWaalsContact CB-CG2 3.43Å
532	W	93.1	Very high	90.6	Very high	15 Å²	15	41.4 Å²	41.4	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177.1	178.5	26.9	0	0	0	111.5	V462 L465 Y470 Y498 A499 S502 W528 L529 E530 S535	V462-W532 HydrophobicContact CB-CH2 4.4Å; V462-W532 HydrophobicContact CB-CZ2 4.07Å; V462-W532 HydrophobicContact CG2-CD2 3.38Å; V462-W532 HydrophobicContact CG2-CE3 3.58Å; V462-W532 HydrophobicContact CG2-CG 3.94Å; V462-W532 HydrophobicContact CG2-CH2 3.73Å; V462-W532 HydrophobicContact CG2-CZ2 3.58Å; V462-W532 HydrophobicContact CG2-CZ3 3.76Å; L465-W532 HydrophobicContact CD1-CH2 4.39Å; Y470-W532 HydrophobicContact CE2-CH2 4.45Å; Y470-W532 AromaticContact CE2-CZ3 3.95Å; Y470-W532 HydrophobicContact CE2-CZ3 3.95Å; Y498-W532 HydrophobicContact CD1-CE3 4.42Å; Y498-W532 AromaticContact CD1-CH2 3.94Å; Y498-W532 HydrophobicContact CD1-CH2 3.94Å; Y498-W532 HydrophobicContact CD1-CZ2 4.3Å; Y498-W532 AromaticContact CD1-CZ3 3.96Å; Y498-W532 HydrophobicContact CD1-CZ3 3.96Å; Y498-W532 AromaticContact CE1-CH2 3.42Å; Y498-W532 HydrophobicContact CE1-CH2 3.42Å; Y498-W532 VanDerWaalsContact CE1-CH2 3.42Å; Y498-W532 AromaticContact CE1-CZ2 3.57Å; Y498-W532 HydrophobicContact CE1-CZ2 3.57Å; Y498-W532 AromaticContact CE1-CZ3 3.94Å; Y498-W532 HydrophobicContact CE1-CZ3 3.94Å; A499-W532 HydrophobicContact CB-CB 4.04Å; S502-W532 VanDerWaalsContact CB-CD1 3.5Å; W528-W532 PolarHBondContact O-N 3.28Å; L529-W532 HydrophobicContact CD2-CE3 4.18Å; L529-W532 WeakPolarHBondContact O-CB 3.49Å; L529-W532 PolarHBondContact O-N 3.36Å; L529-W532 VanDerWaalsContact O-N 3.17Å; E530-W532 VanDerWaalsContact C-N 3.34Å; E530-W532 PolarHBondContact O-N 2.92Å; W532-S535 WeakPolarHBondContact O-CB 3.4Å; W532-S535 PolarHBondContact O-N 3.37Å; W532-S535 PolarHBondContact O-OG 3.2Å
533	R	91.5	Very high	91.2	Very high	25 Å²	25	34.4 Å²	34.4	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-55	-55.4	173.4	-169.3	-177.3	-60.1	179.1	10.3	111.6	D463 I466 N467 L529 E530 S535 L536 P592	D463-R533 WeakPolarHBondContact OD1-CD 3.43Å; D463-R533 WeakPolarHBondContact OD1-CG 3.34Å; D463-R533 IonicContact OD1-NE 2.61Å; D463-R533 PolarHBondContact OD1-NE 2.69Å; I466-R533 HydrophobicContact CD1-CB 4.11Å; I466-R533 VanDerWaalsContact CG2-NH2 3.25Å; N467-R533 PolarHBondContact OD1-NH2 2.74Å; L529-R533 PolarHBondContact O-N 2.98Å; E530-R533 WeakPolarHBondContact O-CB 3.42Å; E530-R533 PolarHBondContact O-N 3.13Å; E530-R533 IonicContact OE1-CZ 2.75Å; E530-R533 IonicContact OE1-NE 3.73Å; E530-R533 IonicContact OE1-NH1 3.14Å; E530-R533 IonicContact OE1-NH2 3.65Å; E530-R533 PolarHBondContact OE1-NH2 3.49Å; E530-R533 IonicContact OE2-CZ 3.79Å; E530-R533 IonicContact OE2-NE 3.83Å; E530-R533 PolarHBondContact OE2-NE 3.07Å; E530-R533 IonicContact OE2-NH1 3.96Å; E530-R533 IonicContact OE2-NH2 3.26Å; R533-S535 PolarHBondContact O-N 3.41Å; R533-L536 PolarHBondContact O-N 3.3Å; R533-L536 VanDerWaalsContact O-N 3.1Å; R533-P592 PolarHBondContact NH1-OXT 3.16Å
534	L	91.3	Very high	91.5	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-29.7	178.9	-77.2	166.3	0	0	0	113.3	L516 E530 A531 L536 S537 I541 I562 H590	L516-L534 HydrophobicContact CD1-CD1 3.82Å; L516-L534 HydrophobicContact CD2-CD1 4.17Å; E530-L534 WeakPolarHBondContact O-CB 3.39Å; E530-L534 WeakPolarHBondContact O-CG 3.38Å; E530-L534 PolarHBondContact O-N 3.35Å; A531-L534 PolarHBondContact O-N 3.42Å; L534-L536 PolarHBondContact O-N 2.91Å; L534-S537 PolarHBondContact O-N 3.08Å; L534-S537 VanDerWaalsContact O-N 3.08Å; L534-I541 HydrophobicContact CB-CD1 3.94Å; L534-I541 HydrophobicContact CB-CG1 3.93Å; L534-I541 HydrophobicContact CD1-CD1 4.34Å; L534-I562 HydrophobicContact CD1-CD1 4.16Å; L534-I562 HydrophobicContact CD1-CG2 3.96Å; L534-I562 HydrophobicContact CD2-CD1 4.43Å; L534-H590 HydrophobicContact CD1-CB 4.46Å
535	S	90.6	Very high	91.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-28.4	179.1	80.2	0	0	0	0	113.4	M506 A531 W532 R533 S537 G538 W539	M506-S535 WeakPolarHBondContact CE-O 3.3Å; A531-S535 PolarHBondContact O-N 3.37Å; W532-S535 WeakPolarHBondContact O-CB 3.4Å; W532-S535 PolarHBondContact O-N 3.37Å; W532-S535 PolarHBondContact O-OG 3.2Å; R533-S535 PolarHBondContact O-N 3.41Å; S535-S537 VanDerWaalsContact C-N 3.25Å; S535-S537 PolarHBondContact O-N 2.86Å; S535-G538 PolarHBondContact O-N 3.38Å; S535-W539 WeakPolarHBondContact CA-O 3.24Å
536	L	86.2	Confident	91.2	Very high	92 Å²	92	34 Å²	34	48%	0.482	19%	0.193	S	C	.	.	H	α-helix	trans	-72.1	-21.4	175.6	-62.6	-159.2	0	0	0	112.8	V462 M506 R533 L534 G538	V462-L536 HydrophobicContact CB-CD1 3.75Å; V462-L536 HydrophobicContact CG1-CD1 3.2Å; V462-L536 HydrophobicContact CG1-CG 3.89Å; M506-L536 HydrophobicContact CE-CD2 3.84Å; M506-L536 HydrophobicContact SD-CD2 4.43Å; R533-L536 PolarHBondContact O-N 3.3Å; R533-L536 VanDerWaalsContact O-N 3.1Å; L534-L536 PolarHBondContact O-N 2.91Å; L536-G538 PolarHBondContact O-N 3.42Å
537	S	84.7	Confident	90.7	Very high	91 Å²	91	34 Å²	34	64%	0.636	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	16.5	174.6	-46.4	0	0	0	0	113.3	L534 S535	L534-S537 PolarHBondContact O-N 3.08Å; L534-S537 VanDerWaalsContact O-N 3.08Å; S535-S537 VanDerWaalsContact C-N 3.25Å; S535-S537 PolarHBondContact O-N 2.86Å
538	G	84.3	Confident	90.5	Very high	32 Å²	32	36.1 Å²	36.1	33%	0.33	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	17.9	176.8	0	0	0	0	0	114.6	G511 K512 S535 L536	G511-G538 CarbonylContact C-O 3.25Å; G511-G538 WeakPolarHBondContact CA-O 3.44Å; K512-G538 PolarHBondContact N-O 2.88Å; S535-G538 PolarHBondContact O-N 3.38Å; L536-G538 PolarHBondContact O-N 3.42Å
539	W	91.1	Very high	90	Very high	46 Å²	46	41.3 Å²	41.3	17%	0.174	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.4	174.7	-65	101.2	0	0	0	112.3	K512 A514 S535 I541 T560 I562 I588	K512-W539 HydrophobicContact CB-CD2 4.3Å; K512-W539 HydrophobicContact CB-CE3 3.54Å; K512-W539 HydrophobicContact CB-CH2 4.33Å; K512-W539 HydrophobicContact CB-CZ3 3.56Å; K512-W539 HydrophobicContact CD-CH2 4.12Å; K512-W539 HydrophobicContact CD-CZ3 4.19Å; K512-W539 CarbonylContact O-C 3.57Å; K512-W539 WeakPolarHBondContact O-CA 3.43Å; A514-W539 HydrophobicContact CB-CD2 4.29Å; A514-W539 HydrophobicContact CB-CE3 3.49Å; A514-W539 VanDerWaalsContact CB-CE3 3.49Å; A514-W539 HydrophobicContact CB-CZ3 3.84Å; S535-W539 WeakPolarHBondContact CA-O 3.24Å; W539-I541 HydrophobicContact CB-CD1 3.49Å; W539-I541 VanDerWaalsContact CB-CD1 3.49Å; W539-I541 HydrophobicContact CB-CG1 3.95Å; W539-I541 HydrophobicContact CG-CD1 4.23Å; W539-I541 PolarHBondContact O-N 3.42Å; W539-T560 HydrophobicContact CH2-CG2 4.02Å; W539-T560 HydrophobicContact CZ3-CG2 4.05Å; W539-I562 HydrophobicContact CD2-CD1 4.37Å; W539-I588 HydrophobicContact CH2-CD1 4.14Å; W539-I588 HydrophobicContact CZ2-CD1 4.19Å
540	H	95	Very high	89.6	Confident	19 Å²	19	44.6 Å²	44.6	9%	0.088	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	95.5	162.9	-64	170.5	0	0	0	108.3	M506 R507 K509 K512 E513 A514	M506-H540 PolarHBondContact O-NE2 2.91Å; R507-H540 HydrophobicContact CG-CB 4.37Å; K509-H540 PolarHBondContact O-CE1 3.15Å; K509-H540 VanDerWaalsContact O-CE1 3.25Å; K509-H540 PolarHBondContact O-NE2 2.87Å; K512-H540 PolarHBondContact O-N 2.94Å; E513-H540 WeakPolarHBondContact OE1-CB 3.39Å; E513-H540 IonicContact OE1-CG 2.81Å; E513-H540 IonicContact OE1-ND1 3.15Å; E513-H540 PolarHBondContact OE1-ND1 3.36Å; A514-H540 PolarHBondContact N-O 2.99Å
541	I	95.3	Very high	89.4	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.2	-175.4	-56.7	-62.9	0	0	0	110.8	L503 R507 A514 L516 A531 L534 W539 V543 I562	L503-I541 HydrophobicContact CD2-CB 4.06Å; R507-I541 PolarHBondContact NH2-O 3.36Å; A514-I541 HydrophobicContact CB-CD1 4.07Å; A514-I541 WeakPolarHBondContact O-CA 3.31Å; L516-I541 HydrophobicContact CB-CG2 3.52Å; L516-I541 HydrophobicContact CD2-CG2 4.35Å; A531-I541 HydrophobicContact CB-CB 4.42Å; A531-I541 HydrophobicContact CB-CG2 3.77Å; L534-I541 HydrophobicContact CB-CD1 3.94Å; L534-I541 HydrophobicContact CB-CG1 3.93Å; L534-I541 HydrophobicContact CD1-CD1 4.34Å; W539-I541 HydrophobicContact CB-CD1 3.49Å; W539-I541 VanDerWaalsContact CB-CD1 3.49Å; W539-I541 HydrophobicContact CB-CG1 3.95Å; W539-I541 HydrophobicContact CG-CD1 4.23Å; W539-I541 PolarHBondContact O-N 3.42Å; I541-V543 HydrophobicContact CG2-CG2 3.93Å; I541-I562 HydrophobicContact CD1-CD1 3.87Å
542	S	94.6	Very high	89.2	Confident	42 Å²	42	51.8 Å²	51.8	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.8	163.2	-59.4	0	0	0	0	108.7	R507 A514 I515 L516	R507-S542 PolarHBondContact NH2-OG 2.95Å; A514-S542 PolarHBondContact O-N 2.96Å; I515-S542 CarbonylContact C-O 3.51Å; I515-S542 VanDerWaalsContact CA-O 3.25Å; I515-S542 WeakPolarHBondContact CA-O 3.45Å; L516-S542 PolarHBondContact N-O 2.76Å
543	V	94.8	Very high	89.1	Confident	28 Å²	28	51.1 Å²	51.1	17%	0.17	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	-174	-176	0	0	0	0	110.2	L503 L527 W528 A531 I541 A545	L503-V543 HydrophobicContact CD1-CG2 4.16Å; L527-V543 HydrophobicContact CD2-CG1 3.65Å; L527-V543 HydrophobicContact CG-CG1 3.77Å; W528-V543 HydrophobicContact CD2-CG1 4.42Å; W528-V543 HydrophobicContact CD2-CG2 4.44Å; W528-V543 HydrophobicContact CE3-CG2 4.11Å; W528-V543 HydrophobicContact CH2-CB 4.25Å; W528-V543 HydrophobicContact CH2-CG2 4.49Å; W528-V543 HydrophobicContact CZ2-CB 4.28Å; W528-V543 HydrophobicContact CZ2-CG1 4.37Å; W528-V543 HydrophobicContact CZ3-CB 4.39Å; W528-V543 HydrophobicContact CZ3-CG2 4.13Å; A531-V543 HydrophobicContact CB-CG2 3.43Å; A531-V543 VanDerWaalsContact CB-CG2 3.43Å; I541-V543 HydrophobicContact CG2-CG2 3.93Å; V543-A545 PolarHBondContact O-N 2.97Å
544	L	92.9	Very high	89	Confident	50 Å²	50	54.1 Å²	54.1	26%	0.262	30%	0.299	S	S	.	.			trans	-77.9	111.7	163.8	-66.7	-173.8	0	0	0	108.8	I515 L516 M517 L527 D546 I548 F556	I515-L544 HydrophobicContact CG2-CD1 4.15Å; I515-L544 HydrophobicContact CG2-CD2 4.24Å; I515-L544 HydrophobicContact CG2-CG 3.75Å; L516-L544 PolarHBondContact O-N 2.88Å; M517-L544 HydrophobicContact CB-CB 4.33Å; M517-L544 HydrophobicContact CB-CD1 4.01Å; M517-L544 HydrophobicContact CB-CG 4.47Å; M517-L544 HydrophobicContact CE-CD1 3.67Å; L527-L544 VanDerWaalsContact CD2-O 3.31Å; L527-L544 WeakPolarHBondContact CD2-O 3.36Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.19Å; L544-I548 HydrophobicContact CD1-CD1 4.45Å; L544-I548 HydrophobicContact CD1-CG1 4.34Å; L544-F556 HydrophobicContact CD1-CE2 4.4Å; L544-F556 HydrophobicContact CD1-CZ 4.36Å
545	A	84.5	Confident	89	Confident	56 Å²	56	59 Å²	59	46%	0.463	33%	0.325	S	S	.	.			trans	-68.7	-24	-166.8	0	0	0	0	0	114.6	V543	V543-A545 PolarHBondContact O-N 2.97Å
546	D	85.7	Confident	89.1	Confident	96 Å²	96	61.8 Å²	61.8	51%	0.513	34%	0.337	S	S	.	.	S	Bend	trans	-102.1	142.2	179.5	-73.1	-53.2	0	0	0	111.5	R524 L544 I548	R524-D546 IonicContact CZ-OD1 3.9Å; R524-D546 IonicContact NH2-OD1 3.43Å; R524-D546 PolarHBondContact NH2-OD1 3.49Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.19Å; D546-I548 PolarHBondContact O-N 3.3Å
547	P	81	Confident	89.1	Confident	42 Å²	42	61.7 Å²	61.7	27%	0.273	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.8	134.1	170.2	-23.2	33.6	0	0	0	111	V521	V521-P547 VanDerWaalsContact O-CB 3.3Å; V521-P547 WeakPolarHBondContact O-CB 3.41Å; V521-P547 VanDerWaalsContact O-CG 3.24Å; V521-P547 WeakPolarHBondContact O-CG 3.2Å
548	I	87.7	Confident	89.3	Confident	49 Å²	49	62.9 Å²	62.9	25%	0.251	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-103.1	117	178	-54.8	-59.2	0	0	0	108.3	M517 A518 W519 N520 L544 D546 S550 P551	M517-I548 HydrophobicContact CB-CG1 4.35Å; A518-I548 PolarHBondContact O-N 3.43Å; W519-I548 WeakPolarHBondContact CA-O 3.32Å; N520-I548 PolarHBondContact N-O 2.87Å; L544-I548 HydrophobicContact CD1-CD1 4.45Å; L544-I548 HydrophobicContact CD1-CG1 4.34Å; D546-I548 PolarHBondContact O-N 3.3Å; I548-S550 VanDerWaalsContact CG2-C 3.49Å; I548-S550 WeakPolarHBondContact CG2-O 3.4Å; I548-P551 HydrophobicContact CG2-CG 4.49Å
549	E	84.2	Confident	89.7	Confident	165 Å²	165	65 Å²	65	77%	0.771	35%	0.347	S	S	*	.	S	Bend	trans	-66.8	-39.7	177	-65.7	-179.5	176.3	0	0	111.7	W519	W519-E549 PolarHBondContact NE1-O 3.42Å
550	S	85.9	Confident	89.9	Confident	70 Å²	70	63.9 Å²	63.9	49%	0.49	35%	0.345	S	S	.	.	S	Bend	trans	-138.6	102.5	-179.3	-176.4	0	0	0	0	109.9	I548	I548-S550 VanDerWaalsContact CG2-C 3.49Å; I548-S550 WeakPolarHBondContact CG2-O 3.4Å
551	P	89.1	Confident	89.9	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.019	34%	0.342	C	S	.	.			trans	-55.7	142.7	173.9	-23.6	32.3	0	0	0	111	M517 W519 I548 V563 W580	M517-P551 HydrophobicContact SD-CB 3.75Å; M517-P551 HydrophobicContact SD-CG 4.18Å; W519-P551 HydrophobicContact CB-CG 4.04Å; W519-P551 HydrophobicContact CD2-CG 3.55Å; W519-P551 HydrophobicContact CE3-CG 3.95Å; W519-P551 HydrophobicContact CG-CG 3.65Å; W519-P551 HydrophobicContact CZ2-CG 4.3Å; W519-P551 HydrophobicContact CZ3-CG 4.42Å; W519-P551 VanDerWaalsContact NE1-CD 3.34Å; I548-P551 HydrophobicContact CG2-CG 4.49Å; P551-V563 HydrophobicContact CG-CG1 4.41Å; P551-W580 HydrophobicContact CB-CH2 3.55Å; P551-W580 HydrophobicContact CB-CZ2 4.25Å; P551-W580 HydrophobicContact CB-CZ3 4Å; P551-W580 HydrophobicContact CG-CH2 3.93Å; P551-W580 HydrophobicContact CG-CZ3 4.38Å; P551-W580 VanDerWaalsContact O-CZ2 3.28Å; P551-W580 WeakPolarHBondContact O-CZ2 3.32Å
552	R	89.9	Confident	89.8	Confident	148 Å²	148	63.2 Å²	63.2	56%	0.558	34%	0.342	S	S	*	.			trans	-130.6	81.9	-179.8	-71.4	-166.1	-174.5	-159.4	1.3	110	E554 L555	R552-E554 VanDerWaalsContact CA-OE2 3.26Å; R552-E554 WeakPolarHBondContact CA-OE2 3.38Å; R552-E554 HydrophobicContact CB-CG 4.46Å; R552-E554 WeakPolarHBondContact CB-OE1 3.32Å; R552-E554 WeakPolarHBondContact CD-OE1 3.31Å; R552-E554 WeakPolarHBondContact CG-OE1 3.23Å; R552-E554 PolarHBondContact O-N 3.16Å; R552-E554 VanDerWaalsContact O-N 3.16Å; R552-L555 HydrophobicContact CB-CD1 3.96Å; R552-L555 HydrophobicContact CB-CG 4.09Å; R552-L555 WeakPolarHBondContact O-CB 3.49Å; R552-L555 PolarHBondContact O-N 2.8Å; R552-L555 VanDerWaalsContact O-N 3.12Å
553	P	90.6	Very high	89.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58	-25.1	-178.2	-27.3	38.5	0	0	0	114.6	L555 F556 L561 W580 Y585 V587	P553-L555 PolarHBondContact O-N 3.1Å; P553-L555 VanDerWaalsContact O-N 3.12Å; P553-F556 CarbonylContact O-C 3.4Å; P553-F556 PolarHBondContact O-N 3.07Å; P553-L561 HydrophobicContact CB-CD1 3.75Å; P553-L561 HydrophobicContact CG-CD1 4.05Å; P553-W580 HydrophobicContact CB-CG 4.46Å; P553-W580 HydrophobicContact CG-CB 4.13Å; P553-W580 HydrophobicContact CG-CD2 3.45Å; P553-W580 VanDerWaalsContact CG-CD2 3.45Å; P553-W580 HydrophobicContact CG-CE3 3.83Å; P553-W580 HydrophobicContact CG-CG 3.59Å; P553-W580 HydrophobicContact CG-CZ2 4.35Å; P553-W580 HydrophobicContact CG-CZ3 4.44Å; P553-Y585 HydrophobicContact CB-CD1 3.93Å; P553-Y585 HydrophobicContact CB-CD2 3.91Å; P553-Y585 HydrophobicContact CB-CG 3.6Å; P553-V587 HydrophobicContact CB-CG2 4.03Å; P553-V587 HydrophobicContact CG-CG2 3.8Å
554	E	90.8	Very high	89.7	Confident	88 Å²	88	59.9 Å²	59.9	41%	0.411	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.2	175.6	65.4	-87.9	-160.9	0	0	114.1	R552 F556 Y585	R552-E554 VanDerWaalsContact CA-OE2 3.26Å; R552-E554 WeakPolarHBondContact CA-OE2 3.38Å; R552-E554 HydrophobicContact CB-CG 4.46Å; R552-E554 WeakPolarHBondContact CB-OE1 3.32Å; R552-E554 WeakPolarHBondContact CD-OE1 3.31Å; R552-E554 WeakPolarHBondContact CG-OE1 3.23Å; R552-E554 PolarHBondContact O-N 3.16Å; R552-E554 VanDerWaalsContact O-N 3.16Å; E554-F556 VanDerWaalsContact C-N 3.29Å; E554-Y585 HydrophobicContact CB-CE1 4.49Å; E554-Y585 WeakPolarHBondContact CB-OH 3.49Å
555	L	91.2	Very high	89.5	Confident	119 Å²	119	58.1 Å²	58.1	62%	0.623	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-76.7	-15.9	174.7	-62.6	178.5	0	0	0	113.1	R552 P553	R552-L555 HydrophobicContact CB-CD1 3.96Å; R552-L555 HydrophobicContact CB-CG 4.09Å; R552-L555 WeakPolarHBondContact O-CB 3.49Å; R552-L555 PolarHBondContact O-N 2.8Å; R552-L555 VanDerWaalsContact O-N 3.12Å; P553-L555 PolarHBondContact O-N 3.1Å; P553-L555 VanDerWaalsContact O-N 3.12Å
556	F	91.1	Very high	89.4	Confident	60 Å²	60	55.9 Å²	55.9	26%	0.263	29%	0.294	S	S	.	.			trans	-132.6	56.4	-175	-54	-76.5	0	0	0	112	I515 M517 L544 P553 E554 T558 Q559 L561	I515-F556 HydrophobicContact CD1-CB 4.47Å; I515-F556 HydrophobicContact CD1-CD1 3.51Å; I515-F556 HydrophobicContact CD1-CE1 3.83Å; I515-F556 HydrophobicContact CD1-CG 4.02Å; M517-F556 HydrophobicContact CE-CE2 4.45Å; L544-F556 HydrophobicContact CD1-CE2 4.4Å; L544-F556 HydrophobicContact CD1-CZ 4.36Å; P553-F556 CarbonylContact O-C 3.4Å; P553-F556 PolarHBondContact O-N 3.07Å; E554-F556 VanDerWaalsContact C-N 3.29Å; F556-T558 PolarHBondContact O-N 3.37Å; F556-Q559 HydrophobicContact CB-CB 4.15Å; F556-Q559 HydrophobicContact CB-CG 4.46Å; F556-Q559 PolarHBondContact O-N 3.02Å; F556-Q559 VanDerWaalsContact O-N 3.14Å; F556-L561 HydrophobicContact CB-CD1 4.36Å; F556-L561 HydrophobicContact CB-CD2 3.86Å; F556-L561 HydrophobicContact CB-CG 4.42Å; F556-L561 HydrophobicContact CD2-CD1 4.27Å; F556-L561 HydrophobicContact CD2-CD2 3.94Å; F556-L561 HydrophobicContact CG-CD2 4.02Å
557	P	87	Confident	89.2	Confident	89 Å²	89	58 Å²	58	58%	0.578	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.3	-165.9	26.1	-36.2	0	0	0	114.8	Y585	P557-Y585 HydrophobicContact CB-CE1 4.45Å
558	T	89.1	Confident	89.1	Confident	117 Å²	117	59.8 Å²	59.8	72%	0.718	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-5.9	-177.6	57	0	0	0	0	113.9	F556	F556-T558 PolarHBondContact O-N 3.37Å
559	Q	92.2	Very high	88.8	Confident	75 Å²	75	58.9 Å²	58.9	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-99.3	152.2	-173.5	-60.8	-65.8	-25.1	0	0	111	I515 F556	I515-Q559 HydrophobicContact CD1-CB 3.98Å; I515-Q559 HydrophobicContact CD1-CG 3.99Å; I515-Q559 HydrophobicContact CG1-CB 4.42Å; F556-Q559 HydrophobicContact CB-CB 4.15Å; F556-Q559 HydrophobicContact CB-CG 4.46Å; F556-Q559 PolarHBondContact O-N 3.02Å; F556-Q559 VanDerWaalsContact O-N 3.14Å
560	T	95.2	Very high	88.6	Confident	24 Å²	24	54.9 Å²	54.9	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.9	166.8	-50.8	0	0	0	0	108.2	A514 I515 W539 K586 I588	A514-T560 CarbonylContact C-O 3.6Å; A514-T560 VanDerWaalsContact CA-O 3.26Å; A514-T560 WeakPolarHBondContact CA-O 3.41Å; A514-T560 HydrophobicContact CB-CG2 4.41Å; I515-T560 PolarHBondContact N-O 3.3Å; W539-T560 HydrophobicContact CH2-CG2 4.02Å; W539-T560 HydrophobicContact CZ3-CG2 4.05Å; T560-K586 WeakPolarHBondContact CA-O 3.45Å; T560-K586 HydrophobicContact CG2-CB 4.47Å; T560-I588 HydrophobicContact CG2-CD1 3.63Å; T560-I588 HydrophobicContact CG2-CG1 4.17Å
561	L	94.9	Very high	88.2	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.2	174.7	-60.6	-176.5	0	0	0	109.2	I515 M517 P553 F556 K586 V587 I588	I515-L561 HydrophobicContact CB-CD2 3.79Å; I515-L561 HydrophobicContact CD1-CD2 4.18Å; I515-L561 HydrophobicContact CG1-CD2 4.42Å; I515-L561 HydrophobicContact CG2-CD2 4.3Å; M517-L561 HydrophobicContact CE-CD1 4.2Å; M517-L561 HydrophobicContact CE-CD2 3.94Å; M517-L561 HydrophobicContact CE-CG 4.49Å; P553-L561 HydrophobicContact CB-CD1 3.75Å; P553-L561 HydrophobicContact CG-CD1 4.05Å; F556-L561 HydrophobicContact CB-CD1 4.36Å; F556-L561 HydrophobicContact CB-CD2 3.86Å; F556-L561 HydrophobicContact CB-CG 4.42Å; F556-L561 HydrophobicContact CD2-CD1 4.27Å; F556-L561 HydrophobicContact CD2-CD2 3.94Å; F556-L561 HydrophobicContact CG-CD2 4.02Å; L561-K586 PolarHBondContact N-O 2.98Å; L561-V587 HydrophobicContact CB-CG1 4.27Å; L561-V587 HydrophobicContact CB-CG2 4.36Å; L561-V587 HydrophobicContact CD1-CG2 4.43Å; L561-V587 CarbonylContact O-C 3.59Å; L561-V587 WeakPolarHBondContact O-CA 3.27Å; L561-I588 PolarHBondContact O-N 3.22Å
562	I	94.7	Very high	87.8	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	170.6	-58.2	176.3	0	0	0	107.1	A514 I515 L516 M517 L534 W539 I541 I588 H590	A514-I562 HydrophobicContact CB-CD1 3.67Å; A514-I562 HydrophobicContact CB-CG1 4Å; I515-I562 PolarHBondContact O-N 2.96Å; L516-I562 WeakPolarHBondContact CA-O 3.4Å; L516-I562 HydrophobicContact CD1-CB 3.86Å; L516-I562 HydrophobicContact CD1-CG2 3.53Å; M517-I562 PolarHBondContact N-O 3.27Å; L534-I562 HydrophobicContact CD1-CD1 4.16Å; L534-I562 HydrophobicContact CD1-CG2 3.96Å; L534-I562 HydrophobicContact CD2-CD1 4.43Å; W539-I562 HydrophobicContact CD2-CD1 4.37Å; I541-I562 HydrophobicContact CD1-CD1 3.87Å; I562-I588 CarbonylContact C-O 3.56Å; I562-I588 VanDerWaalsContact CA-O 3.29Å; I562-I588 WeakPolarHBondContact CA-O 3.38Å; I562-I588 HydrophobicContact CG1-CB 4.39Å; I562-H590 HydrophobicContact CG2-CB 3.51Å
563	V	93.2	Very high	87.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.9	-177.5	-171.8	0	0	0	0	109.2	M517 W519 P551 L577 V587 I588 F589 H590	M517-V563 HydrophobicContact CG-CB 4.43Å; M517-V563 HydrophobicContact CG-CG1 4.39Å; M517-V563 HydrophobicContact CG-CG2 4.02Å; M517-V563 HydrophobicContact SD-CG2 4.06Å; W519-V563 HydrophobicContact CB-CG1 3.48Å; W519-V563 VanDerWaalsContact CB-CG1 3.48Å; W519-V563 HydrophobicContact CD2-CG1 4.19Å; W519-V563 HydrophobicContact CE3-CG1 3.59Å; W519-V563 HydrophobicContact CG-CG1 4.23Å; P551-V563 HydrophobicContact CG-CG1 4.41Å; V563-L577 HydrophobicContact CG2-CD2 4.36Å; V563-V587 HydrophobicContact CG2-CG1 3.53Å; V563-I588 PolarHBondContact N-O 3.28Å; V563-F589 WeakPolarHBondContact O-CD2 3.42Å; V563-H590 PolarHBondContact O-N 3.48Å
564	W	92.7	Very high	87.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.9	179.8	173.8	72.4	0	0	0	110.1	L516 M517 A518 W519 V521 E523 R526 L527 E530 G566 H590	L516-W564 HydrophobicContact CD1-CB 4.14Å; M517-W564 PolarHBondContact O-N 2.76Å; A518-W564 CarbonylContact C-O 3.57Å; A518-W564 WeakPolarHBondContact CA-O 3.45Å; A518-W564 HydrophobicContact CB-CE3 4Å; A518-W564 HydrophobicContact CB-CZ3 4.26Å; W519-W564 PolarHBondContact N-O 3.47Å; V521-W564 HydrophobicContact CB-CE3 4.47Å; V521-W564 HydrophobicContact CB-CZ3 4.01Å; V521-W564 HydrophobicContact CG1-CE3 4.38Å; V521-W564 HydrophobicContact CG1-CH2 3.65Å; V521-W564 HydrophobicContact CG1-CZ3 3.51Å; E523-W564 HydrophobicContact CB-CH2 4.22Å; R526-W564 HydrophobicContact CB-CH2 3.84Å; R526-W564 HydrophobicContact CB-CZ2 4.32Å; R526-W564 HydrophobicContact CG-CH2 3.67Å; R526-W564 HydrophobicContact CG-CZ2 3.62Å; L527-W564 HydrophobicContact CB-CE3 4.35Å; L527-W564 HydrophobicContact CB-CZ3 4.07Å; L527-W564 HydrophobicContact CD1-CE3 3.92Å; L527-W564 HydrophobicContact CD1-CZ3 4.47Å; E530-W564 HydrophobicContact CG-CD2 4.44Å; E530-W564 HydrophobicContact CG-CZ2 4.25Å; W564-G566 VanDerWaalsContact CE2-CA 3.45Å; W564-G566 VanDerWaalsContact CZ2-CA 3.48Å; W564-H590 AromaticContact CD1-CD2 3.7Å
565	T	88.1	Confident	87.2	Confident	12 Å²	12	65.2 Å²	65.2	7%	0.074	34%	0.34	C	S	.	.			trans	-115.6	5.2	-179.6	63.5	0	0	0	0	113.1	W519 V521 M567 F589	W519-T565 HydrophobicContact CB-CG2 3.93Å; W519-T565 HydrophobicContact CD2-CG2 4.45Å; W519-T565 HydrophobicContact CE3-CG2 4.26Å; W519-T565 HydrophobicContact CG-CG2 4.32Å; V521-T565 WeakPolarHBondContact CG2-O 3.4Å; T565-M567 PolarHBondContact O-N 2.84Å; T565-M567 PolarHBondContact OG1-O 3.5Å; T565-F589 HydrophobicContact CG2-CE2 3.84Å; T565-F589 WeakPolarHBondContact OG1-CE2 3.4Å; T565-F589 WeakPolarHBondContact OG1-CZ 3.5Å
566	G	83.7	Confident	87	Confident	9 Å²	9	62 Å²	62	9%	0.093	32%	0.323	C	S	.	.	S	Bend	trans	69.4	-13.3	-179.5	0	0	0	0	0	115.6	W564	W564-G566 VanDerWaalsContact CE2-CA 3.45Å; W564-G566 VanDerWaalsContact CZ2-CA 3.48Å
567	M	81.5	Confident	86.9	Confident	140 Å²	140	60.2 Å²	60.2	69%	0.69	32%	0.316	S	S	*	.	S	Bend	trans	-141.2	-175.2	178.6	-58.2	-163.8	-52.3	0	0	109.8	T565 F589	T565-M567 PolarHBondContact O-N 2.84Å; T565-M567 PolarHBondContact OG1-O 3.5Å; M567-F589 WeakPolarHBondContact O-CZ 3.39Å
568	A	78.8	Confident	87	Confident	81 Å²	81	62 Å²	62	67%	0.669	32%	0.317	S	S	*	.	S	Bend	trans	-63	142	167.7	0	0	0	0	0	110.8
569	P	80.3	Confident	87.1	Confident	30 Å²	30	60.6 Å²	60.6	20%	0.195	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-69	139	-177.6	27.5	-29.3	0	0	0	110.5	Q573 N574 F589	P569-Q573 HydrophobicContact CB-CB 4.22Å; P569-N574 WeakPolarHBondContact CB-OD1 3.49Å; P569-N574 WeakPolarHBondContact CG-OD1 3.47Å; P569-F589 HydrophobicContact CB-CD2 4.23Å; P569-F589 HydrophobicContact CB-CE2 3.79Å; P569-F589 HydrophobicContact CB-CZ 3.96Å; P569-F589 VanDerWaalsContact CD-CZ 3.44Å; P569-F589 HydrophobicContact CG-CD1 4.23Å; P569-F589 HydrophobicContact CG-CD2 4.36Å; P569-F589 HydrophobicContact CG-CE1 3.92Å; P569-F589 HydrophobicContact CG-CE2 4.05Å; P569-F589 HydrophobicContact CG-CG 4.44Å; P569-F589 HydrophobicContact CG-CZ 3.82Å
570	T	81.7	Confident	87	Confident	81 Å²	81	57.7 Å²	57.7	50%	0.497	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.7	158.4	172.8	62.5	0	0	0	0	110.9	R572 Q573 N574	T570-R572 VanDerWaalsContact C-N 3.26Å; T570-R572 PolarHBondContact O-N 3.31Å; T570-Q573 WeakPolarHBondContact O-CA 3.5Å; T570-Q573 WeakPolarHBondContact O-CB 3.26Å; T570-Q573 PolarHBondContact O-N 2.93Å; T570-Q573 VanDerWaalsContact OG1-CD 3.31Å; T570-Q573 VanDerWaalsContact OG1-CG 3.26Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.28Å; T570-Q573 PolarHBondContact OG1-N 3.25Å; T570-Q573 PolarHBondContact OG1-OE1 3.29Å; T570-N574 PolarHBondContact O-N 3.49Å
571	R	77.5	Confident	86.7	Confident	141 Å²	141	58.7 Å²	58.7	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-48.9	-46.7	176.9	-178.4	179.1	171.1	163.9	4.4	112.9	F280 Q573 N574 E575	F280-R571 VanDerWaalsContact CG-NH1 3.29Å; R571-Q573 VanDerWaalsContact C-N 3.32Å; R571-Q573 PolarHBondContact O-N 2.86Å; R571-N574 PolarHBondContact O-N 2.96Å; R571-E575 IonicContact CZ-OE1 3.76Å; R571-E575 IonicContact NE-OE1 2.76Å; R571-E575 PolarHBondContact NE-OE1 3.1Å; R571-E575 VanDerWaalsContact NE-OE1 3.11Å; R571-E575 WeakPolarHBondContact O-CG 3.34Å; R571-E575 PolarHBondContact O-N 3.15Å
572	R	80.3	Confident	86.4	Confident	190 Å²	190	65 Å²	65	72%	0.717	33%	0.332	S	S	*	.	H	α-helix	trans	-63.1	-36.4	178.1	-173.8	-179.7	179.5	-170.6	-0.4	112.8	T570 L576	T570-R572 VanDerWaalsContact C-N 3.26Å; T570-R572 PolarHBondContact O-N 3.31Å; R572-L576 WeakPolarHBondContact O-CG 3.01Å; R572-L576 PolarHBondContact O-N 3.05Å; R572-L576 VanDerWaalsContact O-N 3.16Å
573	Q	86.3	Confident	86.2	Confident	22 Å²	22	69.6 Å²	69.6	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-69.8	-39.3	176.7	-71.4	168.8	-47.3	0	0	111.2	W519 P569 T570 R571 L576 L577	W519-Q573 HydrophobicContact CD2-CG 4.04Å; W519-Q573 HydrophobicContact CE3-CB 4.14Å; W519-Q573 HydrophobicContact CE3-CG 3.9Å; W519-Q573 HydrophobicContact CH2-CB 3.78Å; W519-Q573 HydrophobicContact CH2-CG 3.63Å; W519-Q573 HydrophobicContact CZ2-CB 4.36Å; W519-Q573 HydrophobicContact CZ2-CG 3.69Å; W519-Q573 HydrophobicContact CZ3-CB 3.63Å; W519-Q573 HydrophobicContact CZ3-CG 3.71Å; P569-Q573 HydrophobicContact CB-CB 4.22Å; T570-Q573 WeakPolarHBondContact O-CA 3.5Å; T570-Q573 WeakPolarHBondContact O-CB 3.26Å; T570-Q573 PolarHBondContact O-N 2.93Å; T570-Q573 VanDerWaalsContact OG1-CD 3.31Å; T570-Q573 VanDerWaalsContact OG1-CG 3.26Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.28Å; T570-Q573 PolarHBondContact OG1-N 3.25Å; T570-Q573 PolarHBondContact OG1-OE1 3.29Å; R571-Q573 VanDerWaalsContact C-N 3.32Å; R571-Q573 PolarHBondContact O-N 2.86Å; Q573-L576 PolarHBondContact O-N 3.35Å; Q573-L577 VanDerWaalsContact O-CG 3.29Å; Q573-L577 WeakPolarHBondContact O-CG 2.97Å; Q573-L577 PolarHBondContact O-N 3.46Å
574	N	86.1	Confident	86	Confident	74 Å²	74	72.3 Å²	72.3	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-45.3	173.5	-77.1	-27.1	0	0	0	112.2	P569 T570 R571 L576 L577 Q578	P569-N574 WeakPolarHBondContact CB-OD1 3.49Å; P569-N574 WeakPolarHBondContact CG-OD1 3.47Å; T570-N574 PolarHBondContact O-N 3.49Å; R571-N574 PolarHBondContact O-N 2.96Å; N574-L576 VanDerWaalsContact C-N 3.28Å; N574-L576 PolarHBondContact O-N 3.22Å; N574-L577 PolarHBondContact O-N 3.32Å; N574-Q578 WeakPolarHBondContact O-CB 3.4Å; N574-Q578 PolarHBondContact O-N 3.41Å
575	E	86.5	Confident	85.9	Confident	98 Å²	98	75.1 Å²	75.1	46%	0.458	39%	0.393	S	S	.	.	H	α-helix	trans	-56.8	-42.3	175.4	-73	167	-175.9	0	0	111.5	R571 H579	R571-E575 IonicContact CZ-OE1 3.76Å; R571-E575 IonicContact NE-OE1 2.76Å; R571-E575 PolarHBondContact NE-OE1 3.1Å; R571-E575 VanDerWaalsContact NE-OE1 3.11Å; R571-E575 WeakPolarHBondContact O-CG 3.34Å; R571-E575 PolarHBondContact O-N 3.15Å; E575-H579 VanDerWaalsContact O-CB 3.27Å; E575-H579 WeakPolarHBondContact O-CB 3.17Å; E575-H579 PolarHBondContact O-N 3.44Å
576	L	86.7	Confident	86.1	Confident	52 Å²	52	81.4 Å²	81.4	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-69.2	-42	176.8	-76.8	169.9	0	0	0	113.1	W519 R572 Q573 N574 Q578 H579 W580	W519-L576 HydrophobicContact CH2-CB 3.85Å; W519-L576 HydrophobicContact CH2-CD1 3.66Å; W519-L576 HydrophobicContact CH2-CG 4.42Å; W519-L576 HydrophobicContact CZ2-CD1 3.69Å; R572-L576 WeakPolarHBondContact O-CG 3.01Å; R572-L576 PolarHBondContact O-N 3.05Å; R572-L576 VanDerWaalsContact O-N 3.16Å; Q573-L576 PolarHBondContact O-N 3.35Å; N574-L576 VanDerWaalsContact C-N 3.28Å; N574-L576 PolarHBondContact O-N 3.22Å; L576-Q578 VanDerWaalsContact C-N 3.31Å; L576-Q578 PolarHBondContact O-N 3.47Å; L576-H579 PolarHBondContact O-N 3.2Å; L576-W580 HydrophobicContact CB-CH2 4.06Å; L576-W580 HydrophobicContact CB-CZ2 4.16Å; L576-W580 HydrophobicContact CB-CZ3 4.3Å; L576-W580 HydrophobicContact CD2-CZ2 4.36Å; L576-W580 VanDerWaalsContact O-CG 3.22Å; L576-W580 PolarHBondContact O-N 2.98Å
577	L	89.4	Confident	86.5	Confident	22 Å²	22	82.3 Å²	82.3	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-59.6	-44.8	176	-74.8	165.6	0	0	0	111.2	W519 V563 Q573 N574 W580 G581 V587 F589	W519-L577 HydrophobicContact CZ3-CG 4.25Å; V563-L577 HydrophobicContact CG2-CD2 4.36Å; Q573-L577 VanDerWaalsContact O-CG 3.29Å; Q573-L577 WeakPolarHBondContact O-CG 2.97Å; Q573-L577 PolarHBondContact O-N 3.46Å; N574-L577 PolarHBondContact O-N 3.32Å; L577-W580 HydrophobicContact CD2-CE3 4.17Å; L577-W580 HydrophobicContact CD2-CZ3 4.16Å; L577-W580 PolarHBondContact O-N 3.48Å; L577-G581 PolarHBondContact O-N 3.07Å; L577-G581 VanDerWaalsContact O-N 3.07Å; L577-V587 HydrophobicContact CD2-CB 4.36Å; L577-V587 HydrophobicContact CD2-CG1 3.5Å; L577-F589 HydrophobicContact CD1-CB 3.98Å; L577-F589 HydrophobicContact CD1-CD2 4.01Å; L577-F589 HydrophobicContact CD1-CG 4.28Å
578	Q	88.2	Confident	87	Confident	128 Å²	128	79.1 Å²	79.1	60%	0.598	41%	0.408	S	S	*	.	H	α-helix	trans	-62.6	-48.3	175.5	-175.4	176.7	-1.3	0	0	111	N574 L576 W580 G581 E582	N574-Q578 WeakPolarHBondContact O-CB 3.4Å; N574-Q578 PolarHBondContact O-N 3.41Å; L576-Q578 VanDerWaalsContact C-N 3.31Å; L576-Q578 PolarHBondContact O-N 3.47Å; Q578-W580 VanDerWaalsContact C-N 3.3Å; Q578-W580 PolarHBondContact O-N 2.85Å; Q578-G581 WeakPolarHBondContact O-CA 3.4Å; Q578-G581 PolarHBondContact O-N 3.28Å; Q578-E582 WeakPolarHBondContact O-CG 3.43Å; Q578-E582 PolarHBondContact O-N 3.37Å
579	H	90.2	Very high	87.6	Confident	86 Å²	86	77.9 Å²	77.9	40%	0.398	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-39.9	178.8	-174.4	61.7	0	0	0	112.9	E575 L576 E582 Q583	E575-H579 VanDerWaalsContact O-CB 3.27Å; E575-H579 WeakPolarHBondContact O-CB 3.17Å; E575-H579 PolarHBondContact O-N 3.44Å; L576-H579 PolarHBondContact O-N 3.2Å; H579-E582 IonicContact ND1-OE2 3.53Å; H579-E582 PolarHBondContact O-N 3.44Å; H579-Q583 PolarHBondContact NE2-NE2 3.06Å; H579-Q583 WeakPolarHBondContact O-CG 3.29Å; H579-Q583 PolarHBondContact O-N 3.03Å; H579-Q583 VanDerWaalsContact O-N 3.1Å
580	W	91.6	Very high	88	Confident	15 Å²	15	77.8 Å²	77.8	6%	0.057	38%	0.384	C	S	.	.	H	α-helix	trans	-68.4	-35.9	175	-64.2	-37.3	0	0	0	112.6	W519 P551 P553 L576 L577 Q578 Q583 G584 Y585 V587	W519-W580 AromaticContact CH2-CH2 3.6Å; W519-W580 HydrophobicContact CH2-CH2 3.6Å; W519-W580 AromaticContact CH2-CZ3 3.89Å; W519-W580 HydrophobicContact CH2-CZ3 3.89Å; W519-W580 HydrophobicContact CZ2-CH2 4.15Å; W519-W580 HydrophobicContact CZ3-CH2 4.01Å; W519-W580 AromaticContact CZ3-CZ3 3.86Å; W519-W580 HydrophobicContact CZ3-CZ3 3.86Å; P551-W580 HydrophobicContact CB-CH2 3.55Å; P551-W580 HydrophobicContact CB-CZ2 4.25Å; P551-W580 HydrophobicContact CB-CZ3 4Å; P551-W580 HydrophobicContact CG-CH2 3.93Å; P551-W580 HydrophobicContact CG-CZ3 4.38Å; P551-W580 VanDerWaalsContact O-CZ2 3.28Å; P551-W580 WeakPolarHBondContact O-CZ2 3.32Å; P553-W580 HydrophobicContact CB-CG 4.46Å; P553-W580 HydrophobicContact CG-CB 4.13Å; P553-W580 HydrophobicContact CG-CD2 3.45Å; P553-W580 VanDerWaalsContact CG-CD2 3.45Å; P553-W580 HydrophobicContact CG-CE3 3.83Å; P553-W580 HydrophobicContact CG-CG 3.59Å; P553-W580 HydrophobicContact CG-CZ2 4.35Å; P553-W580 HydrophobicContact CG-CZ3 4.44Å; L576-W580 HydrophobicContact CB-CH2 4.06Å; L576-W580 HydrophobicContact CB-CZ2 4.16Å; L576-W580 HydrophobicContact CB-CZ3 4.3Å; L576-W580 HydrophobicContact CD2-CZ2 4.36Å; L576-W580 VanDerWaalsContact O-CG 3.22Å; L576-W580 PolarHBondContact O-N 2.98Å; L577-W580 HydrophobicContact CD2-CE3 4.17Å; L577-W580 HydrophobicContact CD2-CZ3 4.16Å; L577-W580 PolarHBondContact O-N 3.48Å; Q578-W580 VanDerWaalsContact C-N 3.3Å; Q578-W580 PolarHBondContact O-N 2.85Å; W580-Q583 PolarHBondContact O-N 3.39Å; W580-G584 PolarHBondContact O-N 3.44Å; W580-Y585 HydrophobicContact CB-CD2 4.33Å; W580-Y585 WeakPolarHBondContact O-CB 3.47Å; W580-Y585 PolarHBondContact O-N 3.37Å; W580-V587 HydrophobicContact CB-CG2 3.96Å; W580-V587 HydrophobicContact CE3-CG1 4.22Å; W580-V587 HydrophobicContact CE3-CG2 4.33Å
581	G	88.4	Confident	87.7	Confident	44 Å²	44	76.7 Å²	76.7	45%	0.454	38%	0.383	S	S	.	.	H	α-helix	trans	-60	-44.1	171.6	0	0	0	0	0	112.3	L577 Q578 Q583 G584	L577-G581 PolarHBondContact O-N 3.07Å; L577-G581 VanDerWaalsContact O-N 3.07Å; Q578-G581 WeakPolarHBondContact O-CA 3.4Å; Q578-G581 PolarHBondContact O-N 3.28Å; G581-Q583 VanDerWaalsContact C-N 3.29Å; G581-Q583 PolarHBondContact O-N 2.92Å; G581-G584 WeakPolarHBondContact O-CA 3.44Å; G581-G584 PolarHBondContact O-N 3.04Å
582	E	89.4	Confident	86.8	Confident	136 Å²	136	73.1 Å²	73.1	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-62.4	-35	175.7	-69.3	170.4	-177.7	0	0	112.5	Q578 H579 G584	Q578-E582 WeakPolarHBondContact O-CG 3.43Å; Q578-E582 PolarHBondContact O-N 3.37Å; H579-E582 IonicContact ND1-OE2 3.53Å; H579-E582 PolarHBondContact O-N 3.44Å; E582-G584 PolarHBondContact O-N 3.38Å
583	Q	89	Confident	87.2	Confident	100 Å²	100	67.3 Å²	67.3	47%	0.467	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.3	173.8	-69.7	176.1	-23.4	0	0	113.5	H579 W580 G581 Y585	H579-Q583 PolarHBondContact NE2-NE2 3.06Å; H579-Q583 WeakPolarHBondContact O-CG 3.29Å; H579-Q583 PolarHBondContact O-N 3.03Å; H579-Q583 VanDerWaalsContact O-N 3.1Å; W580-Q583 PolarHBondContact O-N 3.39Å; G581-Q583 VanDerWaalsContact C-N 3.29Å; G581-Q583 PolarHBondContact O-N 2.92Å; Q583-Y585 HydrophobicContact CB-CD2 3.66Å; Q583-Y585 HydrophobicContact CB-CE2 3.69Å
584	G	88.9	Confident	87.2	Confident	58 Å²	58	69.7 Å²	69.7	60%	0.598	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	7.7	178.9	0	0	0	0	0	114.5	W580 G581 E582	W580-G584 PolarHBondContact O-N 3.44Å; G581-G584 WeakPolarHBondContact O-CA 3.44Å; G581-G584 PolarHBondContact O-N 3.04Å; E582-G584 PolarHBondContact O-N 3.38Å
585	Y	91.1	Very high	87.3	Confident	59 Å²	59	69.4 Å²	69.4	23%	0.231	37%	0.374	C	S	.	.			trans	-76.6	134.8	174.5	-60.9	-67.6	0	0	0	110.6	P553 E554 P557 W580 Q583 V587	P553-Y585 HydrophobicContact CB-CD1 3.93Å; P553-Y585 HydrophobicContact CB-CD2 3.91Å; P553-Y585 HydrophobicContact CB-CG 3.6Å; E554-Y585 HydrophobicContact CB-CE1 4.49Å; E554-Y585 WeakPolarHBondContact CB-OH 3.49Å; P557-Y585 HydrophobicContact CB-CE1 4.45Å; W580-Y585 HydrophobicContact CB-CD2 4.33Å; W580-Y585 WeakPolarHBondContact O-CB 3.47Å; W580-Y585 PolarHBondContact O-N 3.37Å; Q583-Y585 HydrophobicContact CB-CD2 3.66Å; Q583-Y585 HydrophobicContact CB-CE2 3.69Å; Y585-V587 PolarHBondContact O-N 3.3Å; Y585-V587 VanDerWaalsContact O-N 3.07Å
586	K	91.9	Very high	87.3	Confident	144 Å²	144	67.8 Å²	67.8	63%	0.626	37%	0.369	S	S	*	.			trans	-83.3	83.6	177.4	-66.3	-178.9	-177.3	177.4	0	110.1	T560 L561	T560-K586 WeakPolarHBondContact CA-O 3.45Å; T560-K586 HydrophobicContact CG2-CB 4.47Å; L561-K586 PolarHBondContact N-O 2.98Å
587	V	92.2	Very high	87.4	Confident	27 Å²	27	68.8 Å²	68.8	16%	0.164	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	178	-165.8	0	0	0	0	110	P553 L561 V563 L577 W580 Y585	P553-V587 HydrophobicContact CB-CG2 4.03Å; P553-V587 HydrophobicContact CG-CG2 3.8Å; L561-V587 HydrophobicContact CB-CG1 4.27Å; L561-V587 HydrophobicContact CB-CG2 4.36Å; L561-V587 HydrophobicContact CD1-CG2 4.43Å; L561-V587 CarbonylContact O-C 3.59Å; L561-V587 WeakPolarHBondContact O-CA 3.27Å; V563-V587 HydrophobicContact CG2-CG1 3.53Å; L577-V587 HydrophobicContact CD2-CB 4.36Å; L577-V587 HydrophobicContact CD2-CG1 3.5Å; W580-V587 HydrophobicContact CB-CG2 3.96Å; W580-V587 HydrophobicContact CE3-CG1 4.22Å; W580-V587 HydrophobicContact CE3-CG2 4.33Å; Y585-V587 PolarHBondContact O-N 3.3Å; Y585-V587 VanDerWaalsContact O-N 3.07Å
588	I	91.8	Very high	87.2	Confident	74 Å²	74	71.9 Å²	71.9	38%	0.379	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.4	179.7	-56.3	174.8	0	0	0	107.8	W539 T560 L561 I562 V563	W539-I588 HydrophobicContact CH2-CD1 4.14Å; W539-I588 HydrophobicContact CZ2-CD1 4.19Å; T560-I588 HydrophobicContact CG2-CD1 3.63Å; T560-I588 HydrophobicContact CG2-CG1 4.17Å; L561-I588 PolarHBondContact O-N 3.22Å; I562-I588 CarbonylContact C-O 3.56Å; I562-I588 VanDerWaalsContact CA-O 3.29Å; I562-I588 WeakPolarHBondContact CA-O 3.38Å; I562-I588 HydrophobicContact CG1-CB 4.39Å; V563-I588 PolarHBondContact N-O 3.28Å
589	F	91.3	Very high	87.2	Confident	55 Å²	55	67.9 Å²	67.9	24%	0.241	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.9	170.6	-178.6	-100.7	0	0	0	110.5	V563 T565 M567 P569 L577 A591	V563-F589 WeakPolarHBondContact O-CD2 3.42Å; T565-F589 HydrophobicContact CG2-CE2 3.84Å; T565-F589 WeakPolarHBondContact OG1-CE2 3.4Å; T565-F589 WeakPolarHBondContact OG1-CZ 3.5Å; M567-F589 WeakPolarHBondContact O-CZ 3.39Å; P569-F589 HydrophobicContact CB-CD2 4.23Å; P569-F589 HydrophobicContact CB-CE2 3.79Å; P569-F589 HydrophobicContact CB-CZ 3.96Å; P569-F589 VanDerWaalsContact CD-CZ 3.44Å; P569-F589 HydrophobicContact CG-CD1 4.23Å; P569-F589 HydrophobicContact CG-CD2 4.36Å; P569-F589 HydrophobicContact CG-CE1 3.92Å; P569-F589 HydrophobicContact CG-CE2 4.05Å; P569-F589 HydrophobicContact CG-CG 4.44Å; P569-F589 HydrophobicContact CG-CZ 3.82Å; L577-F589 HydrophobicContact CD1-CB 3.98Å; L577-F589 HydrophobicContact CD1-CD2 4.01Å; L577-F589 HydrophobicContact CD1-CG 4.28Å; F589-A591 HydrophobicContact CD1-CB 4.48Å; F589-A591 HydrophobicContact CE1-CB 4.01Å
590	H	88.6	Confident	86.9	Confident	27 Å²	27	66.5 Å²	66.5	13%	0.125	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.2	172.4	-179.3	58.7	0	0	0	109.6	E530 L534 I562 V563 W564	E530-H590 IonicContact OE2-CD2 2.8Å; E530-H590 IonicContact OE2-CE1 3.91Å; E530-H590 IonicContact OE2-NE2 3.24Å; E530-H590 PolarHBondContact OE2-NE2 3.32Å; L534-H590 HydrophobicContact CD1-CB 4.46Å; I562-H590 HydrophobicContact CG2-CB 3.51Å; V563-H590 PolarHBondContact O-N 3.48Å; W564-H590 AromaticContact CD1-CD2 3.7Å
591	A	75.6	Confident	86.5	Confident	58 Å²	58	70.8 Å²	70.8	48%	0.479	40%	0.403	S	S	.	.			trans	-74	142.3	173.4	0	0	0	0	0	110.2	F589	F589-A591 HydrophobicContact CD1-CB 4.48Å; F589-A591 HydrophobicContact CE1-CB 4.01Å
592	P	60.3	Low	86.4	Confident	67 Å²	67	73.2 Å²	73.2	44%	0.435	40%	0.398	S	S	.	.			trans	-61.9	0	179.5	26.1	-34.6	0	0	0	114.3	R533	R533-P592 PolarHBondContact NH1-OXT 3.16Å

Retrieved 592 of 592 residues in 483.8 ms (Link to these results)

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