A0A087XTC7_POEFO Loading...

AP complex subunit sigma

AlphaFold DB (Q6PEJ2), UniProt , Accession A0A087XTC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 142 aa.

						>A0A087XTC7_POEFO|A0A087XTC7
MIRFILIQNRAGKTRLAKWYMQFDDDEKQKLIEEVHAVVTVRDAKHTNFVEFRNFKIIYRRYAGLYFCICVDVTDNNLAYLEAIHNFVEVLNEYFHNVCELDLVFNFYKVYTVVDEMFLAGEIRETSQTKVLKQLLMLQSLE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.5	Very high	97.8	Very high	62 Å²	62	32.4 Å²	32.4	31%	0.305	16%	0.164	S	C	.	.				0	147.1	0	177.2	178.1	44.8	0	0	111.3	R3 M21 V71 D72 D75 G121 E122	M1-R3 PolarHBondContact O-N 3.4Å; M1-M21 HydrophobicContact CE-SD 4.16Å; M1-V71 WeakPolarHBondContact O-CA 3.49Å; M1-D72 PolarHBondContact N-OD2 2.91Å; M1-D72 PolarHBondContact O-N 2.77Å; M1-D75 PolarHBondContact N-OD1 3.43Å; M1-D75 VanDerWaalsContact N-OD1 3.09Å; M1-D75 PolarHBondContact N-OD2 2.95Å; M1-G121 WeakPolarHBondContact CG-O 3.41Å; M1-E122 WeakPolarHBondContact CA-OE1 3.32Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å
2	I	98.5	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.3	172	-54.6	168.6	0	0	0	110.3	I5 Y20 I69 C70 V71 Y80 F118 G121	I2-I5 HydrophobicContact CG2-CG1 4.01Å; I2-Y20 HydrophobicContact CB-CD2 4.19Å; I2-Y20 HydrophobicContact CG2-CD2 3.72Å; I2-Y20 HydrophobicContact CG2-CE2 3.98Å; I2-Y20 WeakPolarHBondContact O-CB 3.4Å; I2-I69 HydrophobicContact CB-CG2 4.28Å; I2-I69 HydrophobicContact CD1-CG2 4.27Å; I2-I69 HydrophobicContact CG1-CG2 3.86Å; I2-I69 HydrophobicContact CG2-CG2 3.6Å; I2-C70 CarbonylContact C-O 3.58Å; I2-C70 WeakPolarHBondContact CA-O 3.25Å; I2-V71 HydrophobicContact CG1-CG1 4.32Å; I2-Y80 HydrophobicContact CD1-CD1 4.22Å; I2-Y80 HydrophobicContact CD1-CE1 3.72Å; I2-Y80 HydrophobicContact CG1-CD1 3.97Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I2-F118 HydrophobicContact CD1-CD1 3.65Å; I2-F118 HydrophobicContact CD1-CE1 4.24Å; I2-F118 HydrophobicContact CD1-CG 4.49Å; I2-G121 WeakPolarHBondContact CA-O 3.2Å; I2-G121 VanDerWaalsContact CB-O 3.25Å; I2-G121 WeakPolarHBondContact CB-O 3.29Å; I2-G121 VanDerWaalsContact CG1-O 3.31Å; I2-G121 WeakPolarHBondContact CG1-O 3.32Å; I2-G121 PolarHBondContact N-O 3.39Å
3	R	98.3	Very high	97.7	Very high	42 Å²	42	39.5 Å²	39.5	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-46.1	173.2	-56	-60.2	-178.7	174	1.7	111.4	M1 Y20 M21 F55 C70 D72	M1-R3 PolarHBondContact O-N 3.4Å; R3-Y20 PolarHBondContact O-N 3.04Å; R3-M21 HydrophobicContact CB-CG 4.48Å; R3-M21 PolarHBondContact NH1-SD 2.81Å; R3-M21 PolarHBondContact O-N 3.25Å; R3-F55 HydrophobicContact CG-CD1 4.03Å; R3-F55 HydrophobicContact CG-CE1 4Å; R3-F55 HydrophobicContact CG-CG 4.49Å; R3-F55 HydrophobicContact CG-CZ 4.4Å; R3-F55 VanDerWaalsContact NE-CE1 3.35Å; R3-C70 HydrophobicContact CB-CB 4.24Å; R3-C70 PolarHBondContact N-O 2.76Å; R3-D72 IonicContact CZ-OD1 2.97Å; R3-D72 IonicContact CZ-OD2 3.26Å; R3-D72 IonicContact NE-OD1 3.49Å; R3-D72 PolarHBondContact NE-OD1 3.21Å; R3-D72 IonicContact NE-OD2 2.81Å; R3-D72 IonicContact NH2-OD1 3.42Å; R3-D72 PolarHBondContact NH2-OD1 3.3Å; R3-D72 IonicContact NH2-OD2 2.63Å; R3-D72 PolarHBondContact NH2-OD2 2.76Å
4	F	98.7	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	161.7	177.4	56.6	-102.2	0	0	0	112	L6 K18 W19 F23 L31 V35 I57 C70	F4-L6 HydrophobicContact CD2-CD1 4.03Å; F4-L6 HydrophobicContact CD2-CG 3.8Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.4Å; F4-K18 VanDerWaalsContact CB-O 3.24Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.46Å; F4-W19 VanDerWaalsContact CB-CE3 3.46Å; F4-W19 HydrophobicContact CB-CZ3 3.8Å; F4-W19 AromaticContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD1-CZ3 3.46Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD2-CZ3 4.3Å; F4-W19 HydrophobicContact CE1-CZ3 4.02Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.41Å; F4-W19 AromaticContact CG-CZ3 3.6Å; F4-W19 HydrophobicContact CG-CZ3 3.6Å; F4-F23 HydrophobicContact CD1-CE2 4.14Å; F4-F23 HydrophobicContact CD1-CZ 4.4Å; F4-L31 HydrophobicContact CE1-CD1 4.12Å; F4-L31 HydrophobicContact CE1-CD2 4.31Å; F4-L31 HydrophobicContact CZ-CD2 4.47Å; F4-V35 HydrophobicContact CE2-CG2 4.08Å; F4-V35 HydrophobicContact CZ-CG2 4.05Å; F4-I57 HydrophobicContact CE2-CD1 4.22Å; F4-I57 HydrophobicContact CZ-CD1 4.17Å; F4-C70 HydrophobicContact CD1-CB 3.81Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.51Å; F4-C70 VanDerWaalsContact CE1-SG 3.59Å; F4-C70 HydrophobicContact CE2-CB 3.36Å; F4-C70 HydrophobicContact CG-CB 3.9Å; F4-C70 HydrophobicContact CZ-CB 3.29Å; F4-C70 PolarHBondContact O-N 3.11Å
5	I	98.9	Very high	97.8	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.7	172.2	-54.8	176.2	0	0	0	107.9	I2 L16 A17 K18 Y20 C68 I69 V114 F118	I2-I5 HydrophobicContact CG2-CG1 4.01Å; I5-L16 HydrophobicContact CB-CD2 4.35Å; I5-L16 HydrophobicContact CG2-CD2 4.04Å; I5-A17 WeakPolarHBondContact O-CA 3.23Å; I5-K18 HydrophobicContact CB-CB 4.32Å; I5-K18 PolarHBondContact N-O 3.13Å; I5-K18 PolarHBondContact O-N 2.97Å; I5-Y20 HydrophobicContact CD1-CE2 3.96Å; I5-Y20 HydrophobicContact CG1-CE2 4.12Å; I5-C68 WeakPolarHBondContact CA-O 3.47Å; I5-I69 HydrophobicContact CG1-CG1 4.2Å; I5-I69 HydrophobicContact CG1-CG2 4.48Å; I5-I69 HydrophobicContact CG2-CG1 4.36Å; I5-V114 HydrophobicContact CD1-CG1 4.24Å; I5-F118 HydrophobicContact CD1-CB 4.22Å; I5-F118 HydrophobicContact CD1-CD1 4.31Å; I5-F118 HydrophobicContact CD1-CD2 3.86Å; I5-F118 HydrophobicContact CD1-CE2 4.27Å; I5-F118 HydrophobicContact CD1-CG 3.88Å
6	L	98.8	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.4	175.3	-66	177.8	0	0	0	110.4	F4 L16 A17 W19 I32 V35 C68	F4-L6 HydrophobicContact CD2-CD1 4.03Å; F4-L6 HydrophobicContact CD2-CG 3.8Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; L6-L16 WeakPolarHBondContact CA-O 3.39Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; L6-I32 HydrophobicContact CD1-CG1 4.12Å; L6-I32 HydrophobicContact CD2-CG1 3.91Å; L6-V35 HydrophobicContact CD1-CB 4.12Å; L6-V35 HydrophobicContact CD1-CG1 4.17Å; L6-V35 HydrophobicContact CD1-CG2 4.26Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.95Å; L6-C68 PolarHBondContact O-N 3.18Å
7	I	98.8	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121	166	-52.4	171.2	0	0	0	107.2	R15 L16 L65 Y66 F67 F87 L103	I7-R15 HydrophobicContact CB-CB 4.28Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 3.37Å; I7-L16 HydrophobicContact CB-CB 4.04Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD1 4.28Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.33Å; I7-L16 HydrophobicContact CG1-CB 3.93Å; I7-L16 HydrophobicContact CG1-CD2 4.41Å; I7-L16 PolarHBondContact N-O 3.45Å; I7-L16 PolarHBondContact O-N 3.42Å; I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD2 4.46Å; I7-Y66 WeakPolarHBondContact CA-O 3.33Å; I7-F67 HydrophobicContact CD1-CD1 3.73Å; I7-F67 HydrophobicContact CD1-CE1 3.55Å; I7-F67 HydrophobicContact CD1-CZ 4.42Å; I7-F67 HydrophobicContact CG1-CD1 3.74Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.34Å; I7-F67 HydrophobicContact CG2-CD1 4.27Å; I7-F67 HydrophobicContact CG2-CD2 4.4Å; I7-F67 HydrophobicContact CG2-CE1 4.14Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.4Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; I7-F87 HydrophobicContact CD1-CE1 3.9Å; I7-F87 HydrophobicContact CD1-CZ 4.46Å; I7-L103 HydrophobicContact CD1-CD2 4.06Å; I7-L103 HydrophobicContact CG2-CD2 3.91Å
8	Q	98.7	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.2	-178.4	-64.6	173.5	-68.7	0	0	110.6	K13 I32 L65 Y66	Q8-K13 WeakPolarHBondContact CA-O 3.28Å; Q8-I32 VanDerWaalsContact NE2-CG2 3.25Å; Q8-I32 PolarHBondContact NE2-O 3.31Å; Q8-L65 CarbonylContact O-C 3.58Å; Q8-L65 WeakPolarHBondContact O-CA 3.31Å; Q8-Y66 PolarHBondContact N-O 2.86Å; Q8-Y66 PolarHBondContact O-N 2.83Å
9	N	98	Very high	98	Very high	18 Å²	18	39.7 Å²	39.7	10%	0.096	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	174.9	171.4	77.4	5.3	0	0	0	112.3	A11 G12 K13 R15 H36 G64 L65 E100	N9-A11 PolarHBondContact O-N 3.44Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.49Å; N9-A11 PolarHBondContact OD1-N 2.98Å; N9-G12 PolarHBondContact O-N 3.4Å; N9-G12 PolarHBondContact OD1-N 2.87Å; N9-K13 PolarHBondContact N-O 3.07Å; N9-K13 WeakPolarHBondContact OD1-CB 3.45Å; N9-K13 PolarHBondContact OD1-N 3.25Å; N9-R15 PolarHBondContact ND2-NH2 3.28Å; N9-H36 PolarHBondContact O-NE2 2.91Å; N9-H36 VanDerWaalsContact O-NE2 3.08Å; N9-G64 CarbonylContact C-O 3.47Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; N9-L65 HydrophobicContact CB-CD2 3.75Å; N9-E100 VanDerWaalsContact CB-OE1 3.25Å; N9-E100 WeakPolarHBondContact CB-OE1 3.47Å; N9-E100 PolarHBondContact ND2-OE1 3.32Å
10	R	96.1	Very high	98	Very high	147 Å²	147	40 Å²	40	56%	0.555	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.9	177.9	-67.4	-173.9	-169	175.6	12.1	113.9	G12 H36 A63 G64 Y66	R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.27Å; R10-H36 PolarHBondContact O-CE1 3.44Å; R10-H36 PolarHBondContact O-NE2 3.41Å; R10-A63 PolarHBondContact NH2-O 2.7Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 2.75Å; R10-Y66 HydrophobicContact CG-CE2 4.08Å
11	A	96.6	Very high	97.9	Very high	78 Å²	78	41.6 Å²	41.6	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	5.5	-178.7	0	0	0	0	0	113.9	N9 K13	N9-A11 PolarHBondContact O-N 3.44Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.49Å; N9-A11 PolarHBondContact OD1-N 2.98Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.36Å
12	G	96.3	Very high	97.9	Very high	24 Å²	24	47.9 Å²	47.9	25%	0.247	24%	0.235	C	C	.	.	S	Bend	trans	81.5	8.3	180	0	0	0	0	0	114.1	N9 R10 T14 H36	N9-G12 PolarHBondContact O-N 3.4Å; N9-G12 PolarHBondContact OD1-N 2.87Å; R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.27Å; G12-T14 PolarHBondContact O-N 3.37Å; G12-H36 VanDerWaalsContact CA-CE1 3.49Å; G12-H36 WeakPolarHBondContact CA-CE1 3.45Å; G12-H36 VanDerWaalsContact CA-NE2 3.26Å; G12-H36 WeakPolarHBondContact CA-NE2 3.18Å; G12-H36 PolarHBondContact N-CE1 3.04Å; G12-H36 PolarHBondContact N-NE2 3.06Å; G12-H36 VanDerWaalsContact N-NE2 3.13Å
13	K	98.2	Very high	97.7	Very high	133 Å²	133	49.9 Å²	49.9	58%	0.578	24%	0.243	S	C	*	.			trans	-78.3	122.8	175.9	-57	-58.1	-175.8	-176	0	109.9	Q8 N9 A11	Q8-K13 WeakPolarHBondContact CA-O 3.28Å; N9-K13 PolarHBondContact N-O 3.07Å; N9-K13 WeakPolarHBondContact OD1-CB 3.45Å; N9-K13 PolarHBondContact OD1-N 3.25Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.36Å
14	T	98.4	Very high	97.7	Very high	53 Å²	53	52.9 Å²	52.9	33%	0.325	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.3	176.1	-54.6	0	0	0	0	110.7	G12 L16 A17 I32	G12-T14 PolarHBondContact O-N 3.37Å; T14-L16 WeakPolarHBondContact CG2-O 3.37Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å
15	R	98.3	Very high	97.6	Very high	69 Å²	69	58.3 Å²	58.3	26%	0.26	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-28	174.9	-56.2	-50.9	-176.9	-171.4	8	112.1	I7 N9 L65 E100 L103 V104	I7-R15 HydrophobicContact CB-CB 4.28Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 3.37Å; N9-R15 PolarHBondContact ND2-NH2 3.28Å; R15-L65 HydrophobicContact CG-CD2 3.99Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 IonicContact NE-OE1 2.79Å; R15-E100 PolarHBondContact NE-OE1 2.86Å; R15-E100 IonicContact NH2-OE1 3.92Å; R15-E100 PolarHBondContact NH2-OE1 3.46Å; R15-L103 HydrophobicContact CB-CB 4.14Å; R15-L103 HydrophobicContact CB-CD2 4.15Å; R15-V104 VanDerWaalsContact NH1-CG2 3.25Å
16	L	98.7	Very high	97.6	Very high	2 Å²	2	64 Å²	64	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	139.2	173.2	-176.9	141.6	0	0	0	109.3	I5 L6 I7 T14 K18 V110 Y111 V114	I5-L16 HydrophobicContact CB-CD2 4.35Å; I5-L16 HydrophobicContact CG2-CD2 4.04Å; L6-L16 WeakPolarHBondContact CA-O 3.39Å; I7-L16 HydrophobicContact CB-CB 4.04Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD1 4.28Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.33Å; I7-L16 HydrophobicContact CG1-CB 3.93Å; I7-L16 HydrophobicContact CG1-CD2 4.41Å; I7-L16 PolarHBondContact N-O 3.45Å; I7-L16 PolarHBondContact O-N 3.42Å; T14-L16 WeakPolarHBondContact CG2-O 3.37Å; L16-K18 HydrophobicContact CD2-CB 4.16Å; L16-V110 HydrophobicContact CD1-CG1 3.65Å; L16-Y111 HydrophobicContact CD1-CD2 4.06Å; L16-Y111 HydrophobicContact CD1-CE2 3.96Å; L16-Y111 HydrophobicContact CD1-CG 4.44Å; L16-Y111 HydrophobicContact CG-CD2 4.5Å; L16-Y111 HydrophobicContact CG-CE1 4.44Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; L16-V114 HydrophobicContact CD1-CG2 3.71Å
17	A	98.6	Very high	97.6	Very high	20 Å²	20	66 Å²	66	17%	0.165	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	107.1	168.6	0	0	0	0	0	110.2	I5 L6 T14 Y111	I5-A17 WeakPolarHBondContact O-CA 3.23Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; A17-Y111 VanDerWaalsContact C-OH 3.29Å; A17-Y111 PolarHBondContact N-OH 2.93Å; A17-Y111 PolarHBondContact O-OH 3.12Å
18	K	98.6	Very high	97.6	Very high	43 Å²	43	68.3 Å²	68.3	19%	0.187	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125	176.2	-175.1	77.3	179.9	-161.2	0	108.8	F4 I5 L16 Y20 Y111 V114 D115	F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.4Å; F4-K18 VanDerWaalsContact CB-O 3.24Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; I5-K18 HydrophobicContact CB-CB 4.32Å; I5-K18 PolarHBondContact N-O 3.13Å; I5-K18 PolarHBondContact O-N 2.97Å; L16-K18 HydrophobicContact CD2-CB 4.16Å; K18-Y20 HydrophobicContact CG-CD2 4.49Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.84Å; K18-Y111 HydrophobicContact CB-CE1 4.43Å; K18-Y111 HydrophobicContact CD-CD1 4.19Å; K18-Y111 HydrophobicContact CD-CE1 4.04Å; K18-V114 HydrophobicContact CB-CG1 4.44Å; K18-V114 HydrophobicContact CD-CG1 4.49Å; K18-V114 HydrophobicContact CG-CG1 4.17Å; K18-D115 VanDerWaalsContact CE-OD1 3.31Å; K18-D115 WeakPolarHBondContact CE-OD1 3.16Å; K18-D115 IonicContact NZ-OD1 2.89Å; K18-D115 PolarHBondContact NZ-OD1 3.14Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 2.97Å
19	W	98.4	Very high	97.5	Very high	54 Å²	54	72.9 Å²	72.9	21%	0.205	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.4	-178.5	-54.9	93.5	0	0	0	109.3	F4 L6 F23 K28 L31 I32	F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.46Å; F4-W19 VanDerWaalsContact CB-CE3 3.46Å; F4-W19 HydrophobicContact CB-CZ3 3.8Å; F4-W19 AromaticContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD1-CZ3 3.46Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD2-CZ3 4.3Å; F4-W19 HydrophobicContact CE1-CZ3 4.02Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.41Å; F4-W19 AromaticContact CG-CZ3 3.6Å; F4-W19 HydrophobicContact CG-CZ3 3.6Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; W19-F23 HydrophobicContact CD2-CD2 4.33Å; W19-F23 AromaticContact CE3-CD2 3.41Å; W19-F23 HydrophobicContact CE3-CD2 3.41Å; W19-F23 VanDerWaalsContact CE3-CD2 3.41Å; W19-F23 AromaticContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CE2 4.07Å; W19-F23 HydrophobicContact CZ3-CG 4.48Å; W19-K28 HydrophobicContact CD2-CD 4.21Å; W19-K28 HydrophobicContact CD2-CG 3.96Å; W19-K28 HydrophobicContact CE3-CG 4.25Å; W19-K28 HydrophobicContact CG-CD 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.93Å; W19-K28 HydrophobicContact CH2-CG 3.95Å; W19-K28 HydrophobicContact CZ2-CB 3.58Å; W19-K28 HydrophobicContact CZ2-CD 4.2Å; W19-K28 HydrophobicContact CZ2-CG 3.62Å; W19-K28 HydrophobicContact CZ3-CG 4.24Å; W19-L31 HydrophobicContact CH2-CB 3.95Å; W19-L31 HydrophobicContact CH2-CD1 4.11Å; W19-L31 HydrophobicContact CZ3-CB 4.31Å; W19-L31 HydrophobicContact CZ3-CD1 3.71Å; W19-I32 HydrophobicContact CH2-CG1 4.37Å; W19-I32 HydrophobicContact CZ2-CD1 4.09Å; W19-I32 HydrophobicContact CZ2-CG1 4.07Å
20	Y	98.2	Very high	97.6	Very high	46 Å²	46	77.2 Å²	77.2	18%	0.18	38%	0.381	C	S	.	.	S	Bend	trans	-102.5	-13.5	174.9	-66.1	-75.8	0	0	0	112.4	I2 R3 I5 K18 F118	I2-Y20 HydrophobicContact CB-CD2 4.19Å; I2-Y20 HydrophobicContact CG2-CD2 3.72Å; I2-Y20 HydrophobicContact CG2-CE2 3.98Å; I2-Y20 WeakPolarHBondContact O-CB 3.4Å; R3-Y20 PolarHBondContact O-N 3.04Å; I5-Y20 HydrophobicContact CD1-CE2 3.96Å; I5-Y20 HydrophobicContact CG1-CE2 4.12Å; K18-Y20 HydrophobicContact CG-CD2 4.49Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.84Å; Y20-F118 WeakPolarHBondContact OH-CB 3.29Å; Y20-F118 PolarHBondContact OH-O 2.97Å
21	M	95.8	Very high	97.7	Very high	74 Å²	74	70.4 Å²	70.4	37%	0.365	36%	0.356	S	S	.	.	S	Bend	trans	-111	153.3	168.3	-64.8	-61.9	-64.8	0	0	110.3	M1 R3 F23	M1-M21 HydrophobicContact CE-SD 4.16Å; R3-M21 HydrophobicContact CB-CG 4.48Å; R3-M21 PolarHBondContact NH1-SD 2.81Å; R3-M21 PolarHBondContact O-N 3.25Å; M21-F23 HydrophobicContact CB-CD2 4.34Å; M21-F23 HydrophobicContact CB-CE2 3.65Å; M21-F23 HydrophobicContact CB-CZ 4.01Å; M21-F23 VanDerWaalsContact O-CD2 3.29Å; M21-F23 WeakPolarHBondContact O-CD2 3.48Å; M21-F23 PolarHBondContact O-N 3.02Å
22	Q	94.9	Very high	97.8	Very high	194 Å²	194	67.7 Å²	67.7	91%	0.907	33%	0.33	S	S	*	.			trans	-74.2	124.2	174.7	-172.3	173.9	-3.8	0	0	110.1
23	F	95.4	Very high	97.9	Very high	42 Å²	42	72 Å²	72	18%	0.184	34%	0.343	C	S	.	.			trans	-131.2	144.6	168.6	-60.6	-80.8	0	0	0	107.2	F4 W19 M21 E27 K28 L31	F4-F23 HydrophobicContact CD1-CE2 4.14Å; F4-F23 HydrophobicContact CD1-CZ 4.4Å; W19-F23 HydrophobicContact CD2-CD2 4.33Å; W19-F23 AromaticContact CE3-CD2 3.41Å; W19-F23 HydrophobicContact CE3-CD2 3.41Å; W19-F23 VanDerWaalsContact CE3-CD2 3.41Å; W19-F23 AromaticContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CE2 4.07Å; W19-F23 HydrophobicContact CZ3-CG 4.48Å; M21-F23 HydrophobicContact CB-CD2 4.34Å; M21-F23 HydrophobicContact CB-CE2 3.65Å; M21-F23 HydrophobicContact CB-CZ 4.01Å; M21-F23 VanDerWaalsContact O-CD2 3.29Å; M21-F23 WeakPolarHBondContact O-CD2 3.48Å; M21-F23 PolarHBondContact O-N 3.02Å; F23-E27 HydrophobicContact CB-CB 4.47Å; F23-E27 HydrophobicContact CB-CG 4.4Å; F23-E27 HydrophobicContact CD1-CG 3.87Å; F23-K28 HydrophobicContact CB-CG 3.76Å; F23-K28 WeakPolarHBondContact O-CE 3.34Å; F23-K28 PolarHBondContact O-NZ 3.34Å; F23-L31 HydrophobicContact CD1-CD1 3.81Å; F23-L31 HydrophobicContact CD2-CD1 4.45Å; F23-L31 HydrophobicContact CE1-CD1 3.84Å; F23-L31 HydrophobicContact CE2-CD1 4.46Å; F23-L31 HydrophobicContact CG-CD1 4.12Å; F23-L31 HydrophobicContact CZ-CD1 4.18Å
24	D	97.4	Very high	97.9	Very high	104 Å²	104	69 Å²	69	56%	0.556	33%	0.331	S	S	*	.			trans	-69.6	164.6	165.7	61.5	56.9	0	0	0	110.5	D26 E27 K28	D24-D26 VanDerWaalsContact C-N 3.32Å; D24-D26 PolarHBondContact O-N 3.15Å; D24-D26 PolarHBondContact OD1-N 2.87Å; D24-E27 PolarHBondContact O-N 2.83Å; D24-E27 WeakPolarHBondContact OD1-CB 3.46Å; D24-E27 PolarHBondContact OD1-N 2.87Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.8Å
25	D	97.4	Very high	97.9	Very high	116 Å²	116	66.4 Å²	66.4	62%	0.62	32%	0.316	S	S	*	.	H	α-helix	trans	-70.3	-30.2	-172	-65.7	-26.2	0	0	0	112.8	K28 Q29	D25-K28 PolarHBondContact O-N 3.26Å; D25-K28 IonicContact OD1-NZ 3.38Å; D25-K28 PolarHBondContact OD1-NZ 3.46Å; D25-Q29 PolarHBondContact O-N 2.92Å
26	D	98.3	Very high	98	Very high	126 Å²	126	64.7 Å²	64.7	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-65.6	-42.9	174.9	-71.3	-20.9	0	0	0	110.7	D24 Q29 K30	D24-D26 VanDerWaalsContact C-N 3.32Å; D24-D26 PolarHBondContact O-N 3.15Å; D24-D26 PolarHBondContact OD1-N 2.87Å; D26-Q29 PolarHBondContact O-N 2.8Å; D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 2.94Å; D26-K30 VanDerWaalsContact O-N 3.07Å
27	E	97.9	Very high	97.9	Very high	41 Å²	41	67.1 Å²	67.1	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-40.2	177.1	-176.6	59.1	-167.6	0	0	111.7	F23 D24 Q29 K30 L31 R53	F23-E27 HydrophobicContact CB-CB 4.47Å; F23-E27 HydrophobicContact CB-CG 4.4Å; F23-E27 HydrophobicContact CD1-CG 3.87Å; D24-E27 PolarHBondContact O-N 2.83Å; D24-E27 WeakPolarHBondContact OD1-CB 3.46Å; D24-E27 PolarHBondContact OD1-N 2.87Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.1Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 3.35Å; E27-R53 IonicContact OE1-CZ 3.17Å; E27-R53 IonicContact OE1-NH1 2.91Å; E27-R53 PolarHBondContact OE1-NH1 2.81Å; E27-R53 IonicContact OE1-NH2 3.89Å
28	K	98.5	Very high	97.9	Very high	50 Å²	50	68.4 Å²	68.4	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-45	172.3	-71.8	175.8	-166.6	146.5	0	111.4	W19 F23 D24 D25 L31 I32	W19-K28 HydrophobicContact CD2-CD 4.21Å; W19-K28 HydrophobicContact CD2-CG 3.96Å; W19-K28 HydrophobicContact CE3-CG 4.25Å; W19-K28 HydrophobicContact CG-CD 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.93Å; W19-K28 HydrophobicContact CH2-CG 3.95Å; W19-K28 HydrophobicContact CZ2-CB 3.58Å; W19-K28 HydrophobicContact CZ2-CD 4.2Å; W19-K28 HydrophobicContact CZ2-CG 3.62Å; W19-K28 HydrophobicContact CZ3-CG 4.24Å; F23-K28 HydrophobicContact CB-CG 3.76Å; F23-K28 WeakPolarHBondContact O-CE 3.34Å; F23-K28 PolarHBondContact O-NZ 3.34Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.8Å; D25-K28 PolarHBondContact O-N 3.26Å; D25-K28 IonicContact OD1-NZ 3.38Å; D25-K28 PolarHBondContact OD1-NZ 3.46Å; K28-L31 PolarHBondContact O-N 2.9Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.27Å; K28-I32 PolarHBondContact O-N 3.4Å
29	Q	98.4	Very high	97.9	Very high	97 Å²	97	66.3 Å²	66.3	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-43.8	-179.7	-175.1	57.6	35.4	0	0	111.4	D25 D26 E27 L31 I32 E33	D25-Q29 PolarHBondContact O-N 2.92Å; D26-Q29 PolarHBondContact O-N 2.8Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.1Å; Q29-L31 PolarHBondContact O-N 3.31Å; Q29-I32 PolarHBondContact O-N 3.07Å; Q29-E33 PolarHBondContact NE2-OE1 2.62Å; Q29-E33 WeakPolarHBondContact O-CG 3.23Å; Q29-E33 PolarHBondContact O-N 2.96Å; Q29-E33 VanDerWaalsContact O-N 3.1Å
30	K	98.5	Very high	97.7	Very high	109 Å²	109	65.7 Å²	65.7	47%	0.474	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-46.1	173.9	-70.7	172.7	-170.4	168	0	112.2	D26 E27 I32 E33 E34	D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 2.94Å; D26-K30 VanDerWaalsContact O-N 3.07Å; E27-K30 PolarHBondContact O-N 3.45Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 3.49Å; K30-E33 PolarHBondContact O-N 3.1Å; K30-E34 WeakPolarHBondContact O-CB 3.27Å; K30-E34 VanDerWaalsContact O-CG 3.31Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.49Å
31	L	98.7	Very high	97.6	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-41.2	178.4	-71.4	169	0	0	0	111.7	F4 W19 F23 E27 K28 Q29 V35 F52	F4-L31 HydrophobicContact CE1-CD1 4.12Å; F4-L31 HydrophobicContact CE1-CD2 4.31Å; F4-L31 HydrophobicContact CZ-CD2 4.47Å; W19-L31 HydrophobicContact CH2-CB 3.95Å; W19-L31 HydrophobicContact CH2-CD1 4.11Å; W19-L31 HydrophobicContact CZ3-CB 4.31Å; W19-L31 HydrophobicContact CZ3-CD1 3.71Å; F23-L31 HydrophobicContact CD1-CD1 3.81Å; F23-L31 HydrophobicContact CD2-CD1 4.45Å; F23-L31 HydrophobicContact CE1-CD1 3.84Å; F23-L31 HydrophobicContact CE2-CD1 4.46Å; F23-L31 HydrophobicContact CG-CD1 4.12Å; F23-L31 HydrophobicContact CZ-CD1 4.18Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 3.35Å; K28-L31 PolarHBondContact O-N 2.9Å; Q29-L31 PolarHBondContact O-N 3.31Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3Å; L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.92Å
32	I	98.8	Very high	97.6	Very high	20 Å²	20	68.4 Å²	68.4	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-44.6	176.3	-74.4	169.9	0	0	0	111.3	L6 Q8 T14 W19 K28 Q29 K30 H36	L6-I32 HydrophobicContact CD1-CG1 4.12Å; L6-I32 HydrophobicContact CD2-CG1 3.91Å; Q8-I32 VanDerWaalsContact NE2-CG2 3.25Å; Q8-I32 PolarHBondContact NE2-O 3.31Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å; W19-I32 HydrophobicContact CH2-CG1 4.37Å; W19-I32 HydrophobicContact CZ2-CD1 4.09Å; W19-I32 HydrophobicContact CZ2-CG1 4.07Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.27Å; K28-I32 PolarHBondContact O-N 3.4Å; Q29-I32 PolarHBondContact O-N 3.07Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 3.49Å; I32-H36 WeakPolarHBondContact O-CB 3.35Å; I32-H36 PolarHBondContact O-N 3.14Å
33	E	98.6	Very high	97.4	Very high	114 Å²	114	63.1 Å²	63.1	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-70.6	-46.1	-179.7	-71.2	173.6	-169	0	0	112.1	Q29 K30 H36 A37	Q29-E33 PolarHBondContact NE2-OE1 2.62Å; Q29-E33 WeakPolarHBondContact O-CG 3.23Å; Q29-E33 PolarHBondContact O-N 2.96Å; Q29-E33 VanDerWaalsContact O-N 3.1Å; K30-E33 PolarHBondContact O-N 3.1Å; E33-H36 PolarHBondContact O-N 3.03Å; E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.91Å
34	E	98.6	Very high	97.2	Very high	70 Å²	70	66.3 Å²	66.3	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-44.2	-179.7	-71.6	176.6	-158.4	0	0	112	K30 H36 A37 V38 F52 R53	K30-E34 WeakPolarHBondContact O-CB 3.27Å; K30-E34 VanDerWaalsContact O-CG 3.31Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.49Å; E34-H36 VanDerWaalsContact C-N 3.33Å; E34-H36 PolarHBondContact O-N 2.93Å; E34-A37 PolarHBondContact O-N 2.99Å; E34-V38 WeakPolarHBondContact O-CB 3.43Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 3.4Å; E34-F52 HydrophobicContact CB-CE2 3.75Å; E34-F52 HydrophobicContact CB-CZ 3.89Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.39Å; E34-R53 IonicContact OE1-CZ 2.66Å; E34-R53 IonicContact OE1-NE 3.88Å; E34-R53 IonicContact OE1-NH2 2.77Å; E34-R53 PolarHBondContact OE1-NH2 3.35Å; E34-R53 IonicContact OE2-CZ 3.72Å; E34-R53 VanDerWaalsContact OE2-CZ 3.26Å; E34-R53 IonicContact OE2-NE 3.95Å; E34-R53 PolarHBondContact OE2-NE 3.44Å; E34-R53 IonicContact OE2-NH2 2.75Å; E34-R53 PolarHBondContact OE2-NH2 3.01Å
35	V	98.7	Very high	97	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-45.1	177.3	169.6	0	0	0	0	110.3	F4 L6 L31 V38 V39 F52 I57 C68	F4-V35 HydrophobicContact CE2-CG2 4.08Å; F4-V35 HydrophobicContact CZ-CG2 4.05Å; L6-V35 HydrophobicContact CD1-CB 4.12Å; L6-V35 HydrophobicContact CD1-CG1 4.17Å; L6-V35 HydrophobicContact CD1-CG2 4.26Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3Å; V35-V38 PolarHBondContact O-N 2.8Å; V35-V39 HydrophobicContact CG1-CG1 4.45Å; V35-V39 WeakPolarHBondContact O-CG1 3.49Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 2.89Å; V35-F52 HydrophobicContact CG2-CE1 4.12Å; V35-F52 HydrophobicContact CG2-CE2 4.27Å; V35-F52 HydrophobicContact CG2-CZ 3.94Å; V35-I57 HydrophobicContact CG1-CG2 4.47Å; V35-I57 HydrophobicContact CG2-CD1 3.83Å; V35-I57 HydrophobicContact CG2-CG1 4.23Å; V35-C68 HydrophobicContact CG1-CB 4.11Å
36	H	98.7	Very high	97	Very high	32 Å²	32	69 Å²	69	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-48.8	177.9	-176.1	-101.9	0	0	0	112	N9 R10 G12 I32 E33 E34 V38 V39 T40	N9-H36 PolarHBondContact O-NE2 2.91Å; N9-H36 VanDerWaalsContact O-NE2 3.08Å; R10-H36 PolarHBondContact O-CE1 3.44Å; R10-H36 PolarHBondContact O-NE2 3.41Å; G12-H36 VanDerWaalsContact CA-CE1 3.49Å; G12-H36 WeakPolarHBondContact CA-CE1 3.45Å; G12-H36 VanDerWaalsContact CA-NE2 3.26Å; G12-H36 WeakPolarHBondContact CA-NE2 3.18Å; G12-H36 PolarHBondContact N-CE1 3.04Å; G12-H36 PolarHBondContact N-NE2 3.06Å; G12-H36 VanDerWaalsContact N-NE2 3.13Å; I32-H36 WeakPolarHBondContact O-CB 3.35Å; I32-H36 PolarHBondContact O-N 3.14Å; E33-H36 PolarHBondContact O-N 3.03Å; E34-H36 VanDerWaalsContact C-N 3.33Å; E34-H36 PolarHBondContact O-N 2.93Å; H36-V38 VanDerWaalsContact C-N 3.29Å; H36-V38 PolarHBondContact O-N 3.23Å; H36-V39 PolarHBondContact O-N 3.13Å; H36-T40 VanDerWaalsContact NE2-CG2 3.32Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.3Å; H36-T40 WeakPolarHBondContact O-CB 3.26Å; H36-T40 VanDerWaalsContact O-CG2 3.28Å; H36-T40 WeakPolarHBondContact O-CG2 3.32Å; H36-T40 PolarHBondContact O-N 3.08Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.97Å
37	A	98.3	Very high	96.9	Very high	53 Å²	53	67 Å²	67	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-59.6	-41.7	179.6	0	0	0	0	0	111.5	E33 E34 V41	E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.91Å; E34-A37 PolarHBondContact O-N 2.99Å; A37-V41 WeakPolarHBondContact O-CG2 3.42Å
38	V	97.8	Very high	97	Very high	47 Å²	47	67.7 Å²	67.7	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-69	-42.3	-178.9	168.1	0	0	0	0	112.6	E34 V35 H36 R42 V50 F52	E34-V38 WeakPolarHBondContact O-CB 3.43Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 3.4Å; V35-V38 PolarHBondContact O-N 2.8Å; H36-V38 VanDerWaalsContact C-N 3.29Å; H36-V38 PolarHBondContact O-N 3.23Å; V38-R42 WeakPolarHBondContact O-CD 3.31Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; V38-V50 HydrophobicContact CG1-CB 4.2Å; V38-V50 HydrophobicContact CG1-CG1 3.4Å; V38-V50 VanDerWaalsContact CG1-CG1 3.4Å; V38-V50 HydrophobicContact CG1-CG2 4.45Å; V38-F52 HydrophobicContact CG2-CD2 4.47Å
39	V	97.9	Very high	97	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-83.9	-26.8	-174.5	-58.1	0	0	0	0	113.6	V35 H36 I57 Y59 Y66	V35-V39 HydrophobicContact CG1-CG1 4.45Å; V35-V39 WeakPolarHBondContact O-CG1 3.49Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 2.89Å; H36-V39 PolarHBondContact O-N 3.13Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; V39-Y59 HydrophobicContact CB-CD2 3.97Å; V39-Y59 HydrophobicContact CB-CE2 4Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.95Å; V39-Y59 HydrophobicContact CG1-CD2 4.13Å; V39-Y59 HydrophobicContact CG1-CE1 4.29Å; V39-Y59 HydrophobicContact CG1-CE2 4.44Å; V39-Y59 HydrophobicContact CG1-CG 3.87Å; V39-Y66 HydrophobicContact CB-CD1 4.25Å; V39-Y66 HydrophobicContact CG2-CD1 3.75Å; V39-Y66 HydrophobicContact CG2-CE1 4.37Å; V39-Y66 HydrophobicContact CG2-CG 4.06Å
40	T	95.9	Very high	96.9	Very high	41 Å²	41	63.7 Å²	63.7	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-77.9	-29.6	-174.3	49.9	0	0	0	0	114.3	H36 R42 Y66	H36-T40 VanDerWaalsContact NE2-CG2 3.32Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.3Å; H36-T40 WeakPolarHBondContact O-CB 3.26Å; H36-T40 VanDerWaalsContact O-CG2 3.28Å; H36-T40 WeakPolarHBondContact O-CG2 3.32Å; H36-T40 PolarHBondContact O-N 3.08Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.97Å; T40-R42 PolarHBondContact O-N 2.95Å; T40-Y66 HydrophobicContact CG2-CD2 4.31Å; T40-Y66 HydrophobicContact CG2-CE1 4.33Å; T40-Y66 HydrophobicContact CG2-CE2 3.82Å
41	V	95.4	Very high	96.9	Very high	122 Å²	122	66.4 Å²	66.4	74%	0.739	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-7	178.3	-60.2	0	0	0	0	113.4	A37	A37-V41 WeakPolarHBondContact O-CG2 3.42Å
42	R	95.9	Very high	96.9	Very high	55 Å²	55	66.8 Å²	66.8	21%	0.208	36%	0.359	C	S	.	.			trans	-88.5	137	-175.7	-63.2	173.1	69.7	89.9	-9.1	111.3	V38 T40 H46 T47 F49 Y59	V38-R42 WeakPolarHBondContact O-CD 3.31Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; T40-R42 PolarHBondContact O-N 2.95Å; R42-H46 HydrophobicContact CB-CB 4.17Å; R42-T47 PolarHBondContact NH2-O 2.87Å; R42-F49 PolarHBondContact NH2-O 2.84Å; R42-Y59 VanDerWaalsContact CB-OH 3.32Å; R42-Y59 WeakPolarHBondContact CB-OH 3.11Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 2.94Å
43	D	91.1	Very high	96.7	Very high	83 Å²	83	71.4 Å²	71.4	44%	0.444	38%	0.375	S	S	.	.			trans	-103.1	-176.8	179	71.4	11.5	0	0	0	112.8	K45 H46	D43-K45 PolarHBondContact O-N 2.66Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 VanDerWaalsContact OD1-CB 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.43Å; D43-K45 PolarHBondContact OD1-N 2.89Å; D43-H46 PolarHBondContact N-ND1 2.98Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.42Å; D43-H46 VanDerWaalsContact O-N 3.11Å; D43-H46 IonicContact OD1-CE1 3.43Å; D43-H46 PolarHBondContact OD1-CE1 3.08Å; D43-H46 IonicContact OD1-CG 3.92Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.08Å
44	A	90.2	Very high	96.6	Very high	109 Å²	109	72.5 Å²	72.5	90%	0.901	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.9	-178.2	0	0	0	0	0	114.8	H46	A44-H46 VanDerWaalsContact C-N 3.31Å
45	K	94.5	Very high	96.6	Very high	188 Å²	188	71.6 Å²	71.6	82%	0.817	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.9	175.4	-58.3	177.5	-179.6	175.4	0	111.9	D43	D43-K45 PolarHBondContact O-N 2.66Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 VanDerWaalsContact OD1-CB 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.43Å; D43-K45 PolarHBondContact OD1-N 2.89Å
46	H	96.5	Very high	96.6	Very high	88 Å²	88	73.6 Å²	73.6	41%	0.407	39%	0.388	S	S	.	.	S	Bend	trans	-86.2	149	177.9	-65.9	82.3	0	0	0	110.9	R42 D43 A44	R42-H46 HydrophobicContact CB-CB 4.17Å; D43-H46 PolarHBondContact N-ND1 2.98Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.42Å; D43-H46 VanDerWaalsContact O-N 3.11Å; D43-H46 IonicContact OD1-CE1 3.43Å; D43-H46 PolarHBondContact OD1-CE1 3.08Å; D43-H46 IonicContact OD1-CG 3.92Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.08Å; A44-H46 VanDerWaalsContact C-N 3.31Å
47	T	97.1	Very high	96.6	Very high	84 Å²	84	72 Å²	72	52%	0.515	38%	0.381	S	S	.	.			trans	-72.9	161	171.5	64.2	0	0	0	0	110.9	R42 F49	R42-T47 PolarHBondContact NH2-O 2.87Å; T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 VanDerWaalsContact O-N 3.1Å; T47-F49 PolarHBondContact OG1-O 3.08Å
48	N	98.2	Very high	96.6	Very high	55 Å²	55	69.5 Å²	69.5	29%	0.294	36%	0.36	S	S	.	.	S	Bend	trans	-69.2	5.5	172.4	-67.7	103.5	0	0	0	114.4	I58 Y59 L81	N48-I58 WeakPolarHBondContact O-CA 3.34Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.48Å; N48-Y59 PolarHBondContact ND2-O 3.17Å; N48-Y59 WeakPolarHBondContact O-CD1 3.25Å; N48-Y59 PolarHBondContact O-N 2.77Å; N48-L81 HydrophobicContact CB-CD1 3.85Å; N48-L81 HydrophobicContact CB-CD2 4.16Å
49	F	98.4	Very high	96.7	Very high	51 Å²	51	68 Å²	68	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	-175.8	-44.9	-48.1	0	0	0	109.7	R42 T47 I57 I58 N77 L78 L81	R42-F49 PolarHBondContact NH2-O 2.84Å; T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 VanDerWaalsContact O-N 3.1Å; T47-F49 PolarHBondContact OG1-O 3.08Å; F49-I57 WeakPolarHBondContact CA-O 3.46Å; F49-I58 HydrophobicContact CD1-CB 4.28Å; F49-I58 HydrophobicContact CD1-CD1 3.99Å; F49-I58 HydrophobicContact CD1-CG1 3.78Å; F49-I58 HydrophobicContact CD1-CG2 4.03Å; F49-I58 HydrophobicContact CE1-CG1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.94Å; F49-N77 HydrophobicContact CD1-CB 3.79Å; F49-N77 HydrophobicContact CD2-CB 4.25Å; F49-N77 HydrophobicContact CE1-CB 3.62Å; F49-N77 HydrophobicContact CE2-CB 4.08Å; F49-N77 HydrophobicContact CG-CB 4.11Å; F49-N77 HydrophobicContact CZ-CB 3.77Å; F49-L78 HydrophobicContact CZ-CD2 3.99Å; F49-L81 HydrophobicContact CE1-CB 4.17Å; F49-L81 HydrophobicContact CE1-CD2 4.16Å; F49-L81 HydrophobicContact CZ-CD2 4.05Å
50	V	98	Very high	96.7	Very high	13 Å²	13	71 Å²	71	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.8	-179.4	-162.8	0	0	0	0	109.5	V38 F52 K56 I57 Y59	V38-V50 HydrophobicContact CG1-CB 4.2Å; V38-V50 HydrophobicContact CG1-CG1 3.4Å; V38-V50 VanDerWaalsContact CG1-CG1 3.4Å; V38-V50 HydrophobicContact CG1-CG2 4.45Å; V50-F52 PolarHBondContact O-N 3.38Å; V50-K56 CarbonylContact O-C 3.59Å; V50-K56 VanDerWaalsContact O-CA 3.27Å; V50-K56 WeakPolarHBondContact O-CA 3.4Å; V50-I57 HydrophobicContact CB-CB 4.42Å; V50-I57 PolarHBondContact N-O 3.45Å; V50-I57 PolarHBondContact O-N 3.39Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.59Å
51	E	97.3	Very high	96.8	Very high	166 Å²	166	74.8 Å²	74.8	78%	0.776	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	130.4	166.6	-66	-175	170.6	0	0	108.9
52	F	98.1	Very high	96.9	Very high	11 Å²	11	71.8 Å²	71.8	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	105.2	-173.6	179.1	-102.8	0	0	0	109.5	L31 E34 V35 V38 V50 N54 F55 I57	L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.92Å; E34-F52 HydrophobicContact CB-CE2 3.75Å; E34-F52 HydrophobicContact CB-CZ 3.89Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.39Å; V35-F52 HydrophobicContact CG2-CE1 4.12Å; V35-F52 HydrophobicContact CG2-CE2 4.27Å; V35-F52 HydrophobicContact CG2-CZ 3.94Å; V38-F52 HydrophobicContact CG2-CD2 4.47Å; V50-F52 PolarHBondContact O-N 3.38Å; F52-N54 PolarHBondContact O-N 3.32Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.08Å; F52-F55 CarbonylContact O-C 3.39Å; F52-F55 WeakPolarHBondContact O-CA 3.22Å; F52-F55 WeakPolarHBondContact O-CB 3.31Å; F52-F55 PolarHBondContact O-N 3.45Å; F52-F55 VanDerWaalsContact O-O 3.09Å; F52-I57 HydrophobicContact CB-CD1 4.38Å; F52-I57 HydrophobicContact CB-CG1 3.62Å; F52-I57 HydrophobicContact CD1-CD1 3.95Å; F52-I57 HydrophobicContact CD1-CG1 4.03Å; F52-I57 HydrophobicContact CD2-CG1 4.4Å; F52-I57 HydrophobicContact CG-CD1 4.2Å; F52-I57 HydrophobicContact CG-CG1 3.75Å
53	R	96.2	Very high	96.8	Very high	117 Å²	117	73.2 Å²	73.2	44%	0.442	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	-125.1	-172.4	-54.5	176.2	170.1	-157.5	4.8	109.4	E27 E34 F55	E27-R53 IonicContact OE1-CZ 3.17Å; E27-R53 IonicContact OE1-NH1 2.91Å; E27-R53 PolarHBondContact OE1-NH1 2.81Å; E27-R53 IonicContact OE1-NH2 3.89Å; E34-R53 IonicContact OE1-CZ 2.66Å; E34-R53 IonicContact OE1-NE 3.88Å; E34-R53 IonicContact OE1-NH2 2.77Å; E34-R53 PolarHBondContact OE1-NH2 3.35Å; E34-R53 IonicContact OE2-CZ 3.72Å; E34-R53 VanDerWaalsContact OE2-CZ 3.26Å; E34-R53 IonicContact OE2-NE 3.95Å; E34-R53 PolarHBondContact OE2-NE 3.44Å; E34-R53 IonicContact OE2-NH2 2.75Å; E34-R53 PolarHBondContact OE2-NH2 3.01Å; R53-F55 VanDerWaalsContact C-N 3.31Å
54	N	96.2	Very high	97	Very high	137 Å²	137	70.2 Å²	70.2	73%	0.733	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	16.7	176.4	-60.9	-35.4	0	0	0	113.2	F52 V73	F52-N54 PolarHBondContact O-N 3.32Å; N54-V73 WeakPolarHBondContact O-CG1 3.46Å
55	F	98	Very high	97.4	Very high	51 Å²	51	65.7 Å²	65.7	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	-177.3	-173.3	-57.9	-62.8	0	0	0	110.7	R3 F52 R53 V71	R3-F55 HydrophobicContact CG-CD1 4.03Å; R3-F55 HydrophobicContact CG-CE1 4Å; R3-F55 HydrophobicContact CG-CG 4.49Å; R3-F55 HydrophobicContact CG-CZ 4.4Å; R3-F55 VanDerWaalsContact NE-CE1 3.35Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.08Å; F52-F55 CarbonylContact O-C 3.39Å; F52-F55 WeakPolarHBondContact O-CA 3.22Å; F52-F55 WeakPolarHBondContact O-CB 3.31Å; F52-F55 PolarHBondContact O-N 3.45Å; F52-F55 VanDerWaalsContact O-O 3.09Å; R53-F55 VanDerWaalsContact C-N 3.31Å; F55-V71 WeakPolarHBondContact CB-O 3.14Å
56	K	98.4	Very high	97.6	Very high	42 Å²	42	57.3 Å²	57.3	18%	0.183	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.7	169.2	-69.6	175.7	-179.3	163.3	0	110.3	V50 I58 C70 V71 V73	V50-K56 CarbonylContact O-C 3.59Å; V50-K56 VanDerWaalsContact O-CA 3.27Å; V50-K56 WeakPolarHBondContact O-CA 3.4Å; K56-I58 HydrophobicContact CB-CD1 3.71Å; K56-C70 WeakPolarHBondContact O-CA 3.31Å; K56-V71 HydrophobicContact CB-CG2 4.25Å; K56-V71 PolarHBondContact N-O 2.77Å; K56-V71 PolarHBondContact O-N 3.31Å; K56-V73 HydrophobicContact CG-CG1 4.23Å; K56-V73 PolarHBondContact NZ-O 2.95Å
57	I	98.8	Very high	97.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120	166	-58.7	-58.3	0	0	0	108.4	F4 V35 V39 F49 V50 F52 C68 C70	F4-I57 HydrophobicContact CE2-CD1 4.22Å; F4-I57 HydrophobicContact CZ-CD1 4.17Å; V35-I57 HydrophobicContact CG1-CG2 4.47Å; V35-I57 HydrophobicContact CG2-CD1 3.83Å; V35-I57 HydrophobicContact CG2-CG1 4.23Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; F49-I57 WeakPolarHBondContact CA-O 3.46Å; V50-I57 HydrophobicContact CB-CB 4.42Å; V50-I57 PolarHBondContact N-O 3.45Å; V50-I57 PolarHBondContact O-N 3.39Å; F52-I57 HydrophobicContact CB-CD1 4.38Å; F52-I57 HydrophobicContact CB-CG1 3.62Å; F52-I57 HydrophobicContact CD1-CD1 3.95Å; F52-I57 HydrophobicContact CD1-CG1 4.03Å; F52-I57 HydrophobicContact CD2-CG1 4.4Å; F52-I57 HydrophobicContact CG-CD1 4.2Å; F52-I57 HydrophobicContact CG-CG1 3.75Å; I57-C68 HydrophobicContact CG2-CB 4.05Å; I57-C70 HydrophobicContact CD1-CB 3.5Å; I57-C70 VanDerWaalsContact CD1-CB 3.5Å
58	I	98.8	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.7	170.2	-66.3	23.2	0	0	0	105.2	N48 F49 K56 C68 I69 V71 N77 L81 I84	N48-I58 WeakPolarHBondContact O-CA 3.34Å; F49-I58 HydrophobicContact CD1-CB 4.28Å; F49-I58 HydrophobicContact CD1-CD1 3.99Å; F49-I58 HydrophobicContact CD1-CG1 3.78Å; F49-I58 HydrophobicContact CD1-CG2 4.03Å; F49-I58 HydrophobicContact CE1-CG1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.94Å; K56-I58 HydrophobicContact CB-CD1 3.71Å; I58-C68 WeakPolarHBondContact O-CA 3.12Å; I58-I69 PolarHBondContact N-O 2.94Å; I58-I69 PolarHBondContact O-N 2.66Å; I58-V71 HydrophobicContact CD1-CG2 3.76Å; I58-V71 HydrophobicContact CG1-CG2 4.17Å; I58-N77 HydrophobicContact CD1-CB 4.5Å; I58-N77 HydrophobicContact CG1-CB 4.3Å; I58-L81 HydrophobicContact CG2-CB 4.01Å; I58-L81 HydrophobicContact CG2-CD1 4.46Å; I58-I84 HydrophobicContact CG2-CD1 4.13Å; I58-I84 WeakPolarHBondContact O-CD1 3.15Å
59	Y	98.8	Very high	97.8	Very high	15 Å²	15	47.3 Å²	47.3	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151	-175.3	79.7	-74.6	0	0	0	113.6	V39 R42 N48 V50 Y66 F67 C68	V39-Y59 HydrophobicContact CB-CD2 3.97Å; V39-Y59 HydrophobicContact CB-CE2 4Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.95Å; V39-Y59 HydrophobicContact CG1-CD2 4.13Å; V39-Y59 HydrophobicContact CG1-CE1 4.29Å; V39-Y59 HydrophobicContact CG1-CE2 4.44Å; V39-Y59 HydrophobicContact CG1-CG 3.87Å; R42-Y59 VanDerWaalsContact CB-OH 3.32Å; R42-Y59 WeakPolarHBondContact CB-OH 3.11Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 2.94Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.48Å; N48-Y59 PolarHBondContact ND2-O 3.17Å; N48-Y59 WeakPolarHBondContact O-CD1 3.25Å; N48-Y59 PolarHBondContact O-N 2.77Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.59Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.32Å; Y59-F67 CarbonylContact C-O 3.53Å; Y59-F67 WeakPolarHBondContact CA-O 3.4Å; Y59-F67 WeakPolarHBondContact CB-O 3.24Å; Y59-C68 VanDerWaalsContact CB-SG 3.6Å
60	R	98.5	Very high	97.8	Very high	63 Å²	63	44.9 Å²	44.9	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.2	169	-173.8	172.6	-93.8	176.7	-5	110.2	Y62 F67 L81 I84 H85	R60-Y62 HydrophobicContact CB-CD2 4.48Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 VanDerWaalsContact CD-CE2 3.46Å; R60-Y62 VanDerWaalsContact CD-CZ 3.42Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.11Å; R60-Y62 HydrophobicContact CG-CE2 3.5Å; R60-Y62 VanDerWaalsContact CG-CE2 3.5Å; R60-F67 PolarHBondContact N-O 2.84Å; R60-F67 PolarHBondContact O-N 2.96Å; R60-L81 HydrophobicContact CB-CD1 4.12Å; R60-I84 HydrophobicContact CB-CG2 3.98Å; R60-H85 PolarHBondContact NH1-ND1 3.05Å
61	R	97.6	Very high	97.8	Very high	120 Å²	120	44.2 Å²	44.2	45%	0.453	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.7	177.2	-179	-178.2	168.6	-175.1	-3.1	110	A63 L65 Y66	R61-A63 PolarHBondContact NE-O 3.22Å; R61-A63 VanDerWaalsContact NE-O 3.15Å; R61-L65 CarbonylContact C-O 3.51Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.29Å; R61-Y66 HydrophobicContact CB-CD1 4.3Å; R61-Y66 HydrophobicContact CB-CE1 4.33Å; R61-Y66 HydrophobicContact CG-CD1 4.45Å; R61-Y66 HydrophobicContact CG-CE1 4.23Å
62	Y	97.3	Very high	97.9	Very high	59 Å²	59	37.7 Å²	37.7	23%	0.231	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.6	170.7	-69.8	-91.5	0	0	0	108.5	R60 G64 L65 F67 I84 H85 V88	R60-Y62 HydrophobicContact CB-CD2 4.48Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 VanDerWaalsContact CD-CE2 3.46Å; R60-Y62 VanDerWaalsContact CD-CZ 3.42Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.11Å; R60-Y62 HydrophobicContact CG-CE2 3.5Å; R60-Y62 VanDerWaalsContact CG-CE2 3.5Å; Y62-G64 PolarHBondContact O-N 3.37Å; Y62-L65 PolarHBondContact N-O 2.75Å; Y62-L65 PolarHBondContact O-N 3.03Å; Y62-F67 AromaticContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CE2 4.07Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; Y62-F67 HydrophobicContact CG-CE2 4.46Å; Y62-I84 HydrophobicContact CE2-CG2 4.15Å; Y62-H85 WeakPolarHBondContact OH-CA 3.43Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; Y62-V88 HydrophobicContact CD1-CG1 3.95Å; Y62-V88 HydrophobicContact CD2-CG1 4.45Å; Y62-V88 HydrophobicContact CD2-CG2 3.91Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.87Å; Y62-V88 HydrophobicContact CE2-CB 4.24Å; Y62-V88 HydrophobicContact CE2-CG1 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.71Å; Y62-V88 HydrophobicContact CG-CG1 4.22Å; Y62-V88 HydrophobicContact CG-CG2 4.44Å
63	A	94.4	Very high	97.8	Very high	86 Å²	86	40.6 Å²	40.6	71%	0.711	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	-103.7	-174.4	0	0	0	0	0	114.3	R10 R61	R10-A63 PolarHBondContact NH2-O 2.7Å; R61-A63 PolarHBondContact NE-O 3.22Å; R61-A63 VanDerWaalsContact NE-O 3.15Å
64	G	94.8	Very high	97.8	Very high	19 Å²	19	41 Å²	41	20%	0.196	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5	179.3	0	0	0	0	0	114.7	N9 R10 Y62	N9-G64 CarbonylContact C-O 3.47Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 2.75Å; Y62-G64 PolarHBondContact O-N 3.37Å
65	L	98.4	Very high	97.9	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.4	-172.1	-63.8	176.4	0	0	0	111.8	I7 Q8 N9 R15 R61 Y62 F67 E100 L103	I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD2 4.46Å; Q8-L65 CarbonylContact O-C 3.58Å; Q8-L65 WeakPolarHBondContact O-CA 3.31Å; N9-L65 HydrophobicContact CB-CD2 3.75Å; R15-L65 HydrophobicContact CG-CD2 3.99Å; R61-L65 CarbonylContact C-O 3.51Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.29Å; Y62-L65 PolarHBondContact N-O 2.75Å; Y62-L65 PolarHBondContact O-N 3.03Å; L65-F67 HydrophobicContact CB-CD2 4.23Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CD1-CE2 4.18Å; L65-F67 HydrophobicContact CD1-CZ 4.31Å; L65-E100 HydrophobicContact CD1-CB 4.22Å; L65-E100 HydrophobicContact CD1-CG 4.45Å; L65-E100 HydrophobicContact CD2-CG 4.01Å; L65-L103 HydrophobicContact CD1-CD2 3.99Å
66	Y	98.7	Very high	97.8	Very high	13 Å²	13	38.6 Å²	38.6	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.7	172.5	-63.5	-98.9	0	0	0	107.6	I7 Q8 R10 V39 T40 Y59 R61	I7-Y66 WeakPolarHBondContact CA-O 3.33Å; Q8-Y66 PolarHBondContact N-O 2.86Å; Q8-Y66 PolarHBondContact O-N 2.83Å; R10-Y66 HydrophobicContact CG-CE2 4.08Å; V39-Y66 HydrophobicContact CB-CD1 4.25Å; V39-Y66 HydrophobicContact CG2-CD1 3.75Å; V39-Y66 HydrophobicContact CG2-CE1 4.37Å; V39-Y66 HydrophobicContact CG2-CG 4.06Å; T40-Y66 HydrophobicContact CG2-CD2 4.31Å; T40-Y66 HydrophobicContact CG2-CE1 4.33Å; T40-Y66 HydrophobicContact CG2-CE2 3.82Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.32Å; R61-Y66 HydrophobicContact CB-CD1 4.3Å; R61-Y66 HydrophobicContact CB-CE1 4.33Å; R61-Y66 HydrophobicContact CG-CD1 4.45Å; R61-Y66 HydrophobicContact CG-CE1 4.23Å
67	F	98.8	Very high	97.8	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.2	174.2	-69.3	-109.4	0	0	0	107.2	I7 Y59 R60 Y62 L65 I84 F87 V88 L91 L103	I7-F67 HydrophobicContact CD1-CD1 3.73Å; I7-F67 HydrophobicContact CD1-CE1 3.55Å; I7-F67 HydrophobicContact CD1-CZ 4.42Å; I7-F67 HydrophobicContact CG1-CD1 3.74Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.34Å; I7-F67 HydrophobicContact CG2-CD1 4.27Å; I7-F67 HydrophobicContact CG2-CD2 4.4Å; I7-F67 HydrophobicContact CG2-CE1 4.14Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.4Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; Y59-F67 CarbonylContact C-O 3.53Å; Y59-F67 WeakPolarHBondContact CA-O 3.4Å; Y59-F67 WeakPolarHBondContact CB-O 3.24Å; R60-F67 PolarHBondContact N-O 2.84Å; R60-F67 PolarHBondContact O-N 2.96Å; Y62-F67 AromaticContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CE2 4.07Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; Y62-F67 HydrophobicContact CG-CE2 4.46Å; L65-F67 HydrophobicContact CB-CD2 4.23Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CD1-CE2 4.18Å; L65-F67 HydrophobicContact CD1-CZ 4.31Å; F67-I84 HydrophobicContact CB-CG2 3.61Å; F67-I84 HydrophobicContact CG-CG2 4.34Å; F67-F87 HydrophobicContact CD1-CD1 4.11Å; F67-F87 HydrophobicContact CD1-CE1 4.08Å; F67-F87 HydrophobicContact CE1-CD1 4.19Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; F67-V88 HydrophobicContact CD1-CG2 3.89Å; F67-V88 HydrophobicContact CD2-CG2 4.37Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 4.16Å; F67-V88 HydrophobicContact CG-CG2 4.25Å; F67-V88 HydrophobicContact CZ-CG2 3.8Å; F67-L91 HydrophobicContact CE1-CD1 4.34Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å
68	C	98.9	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.7	-171.5	-60	0	0	0	0	110	I5 L6 V35 I57 I58 Y59	I5-C68 WeakPolarHBondContact CA-O 3.47Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.95Å; L6-C68 PolarHBondContact O-N 3.18Å; V35-C68 HydrophobicContact CG1-CB 4.11Å; I57-C68 HydrophobicContact CG2-CB 4.05Å; I58-C68 WeakPolarHBondContact O-CA 3.12Å; Y59-C68 VanDerWaalsContact CB-SG 3.6Å
69	I	98.9	Very high	97.7	Very high	3 Å²	3	45 Å²	45	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	169.8	-57.1	-173.9	0	0	0	107.6	I2 I5 I58 V71 Y80 I84 F118	I2-I69 HydrophobicContact CB-CG2 4.28Å; I2-I69 HydrophobicContact CD1-CG2 4.27Å; I2-I69 HydrophobicContact CG1-CG2 3.86Å; I2-I69 HydrophobicContact CG2-CG2 3.6Å; I5-I69 HydrophobicContact CG1-CG1 4.2Å; I5-I69 HydrophobicContact CG1-CG2 4.48Å; I5-I69 HydrophobicContact CG2-CG1 4.36Å; I58-I69 PolarHBondContact N-O 2.94Å; I58-I69 PolarHBondContact O-N 2.66Å; I69-V71 HydrophobicContact CG2-CG1 3.58Å; I69-Y80 HydrophobicContact CD1-CD1 4.43Å; I69-Y80 HydrophobicContact CG2-CD1 4.09Å; I69-I84 HydrophobicContact CD1-CD1 4.2Å; I69-I84 HydrophobicContact CD1-CG1 3.6Å; I69-I84 HydrophobicContact CG1-CD1 3.96Å; I69-I84 HydrophobicContact CG1-CG1 3.79Å; I69-F118 HydrophobicContact CD1-CE1 4.17Å; I69-F118 HydrophobicContact CD1-CZ 4.26Å
70	C	98.8	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126	173.1	-175.7	0	0	0	0	109.9	I2 R3 F4 K56 I57	I2-C70 CarbonylContact C-O 3.58Å; I2-C70 WeakPolarHBondContact CA-O 3.25Å; R3-C70 HydrophobicContact CB-CB 4.24Å; R3-C70 PolarHBondContact N-O 2.76Å; F4-C70 HydrophobicContact CD1-CB 3.81Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.51Å; F4-C70 VanDerWaalsContact CE1-SG 3.59Å; F4-C70 HydrophobicContact CE2-CB 3.36Å; F4-C70 HydrophobicContact CG-CB 3.9Å; F4-C70 HydrophobicContact CZ-CB 3.29Å; F4-C70 PolarHBondContact O-N 3.11Å; K56-C70 WeakPolarHBondContact O-CA 3.31Å; I57-C70 HydrophobicContact CD1-CB 3.5Å; I57-C70 VanDerWaalsContact CD1-CB 3.5Å
71	V	98.7	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	168.2	-171.9	-57.5	0	0	0	0	111.5	M1 I2 F55 K56 I58 I69 D75 Y80	M1-V71 WeakPolarHBondContact O-CA 3.49Å; I2-V71 HydrophobicContact CG1-CG1 4.32Å; F55-V71 WeakPolarHBondContact CB-O 3.14Å; K56-V71 HydrophobicContact CB-CG2 4.25Å; K56-V71 PolarHBondContact N-O 2.77Å; K56-V71 PolarHBondContact O-N 3.31Å; I58-V71 HydrophobicContact CD1-CG2 3.76Å; I58-V71 HydrophobicContact CG1-CG2 4.17Å; I69-V71 HydrophobicContact CG2-CG1 3.58Å; V71-D75 HydrophobicContact CB-CB 4.24Å; V71-D75 WeakPolarHBondContact CB-OD2 3.4Å; V71-D75 HydrophobicContact CG2-CB 4.18Å; V71-Y80 HydrophobicContact CB-CD2 4.37Å; V71-Y80 HydrophobicContact CB-CE2 4.23Å; V71-Y80 HydrophobicContact CG1-CD1 3.87Å; V71-Y80 HydrophobicContact CG1-CD2 3.79Å; V71-Y80 HydrophobicContact CG1-CE1 3.91Å; V71-Y80 HydrophobicContact CG1-CE2 3.84Å; V71-Y80 HydrophobicContact CG1-CG 3.78Å; V71-Y80 HydrophobicContact CG2-CD2 4.33Å
72	D	97.9	Very high	97.8	Very high	29 Å²	29	41.3 Å²	41.3	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	151.1	177.1	-65.9	-46.4	0	0	0	111.6	M1 R3 T74 D75	M1-D72 PolarHBondContact N-OD2 2.91Å; M1-D72 PolarHBondContact O-N 2.77Å; R3-D72 IonicContact CZ-OD1 2.97Å; R3-D72 IonicContact CZ-OD2 3.26Å; R3-D72 IonicContact NE-OD1 3.49Å; R3-D72 PolarHBondContact NE-OD1 3.21Å; R3-D72 IonicContact NE-OD2 2.81Å; R3-D72 IonicContact NH2-OD1 3.42Å; R3-D72 PolarHBondContact NH2-OD1 3.3Å; R3-D72 IonicContact NH2-OD2 2.63Å; R3-D72 PolarHBondContact NH2-OD2 2.76Å; D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.09Å; D72-D75 PolarHBondContact N-OD2 3.49Å; D72-D75 VanDerWaalsContact O-CB 3.31Å; D72-D75 WeakPolarHBondContact O-CB 3.36Å; D72-D75 PolarHBondContact O-N 3.42Å; D72-D75 VanDerWaalsContact O-N 3.08Å
73	V	96.7	Very high	97.9	Very high	71 Å²	71	39 Å²	39	43%	0.43	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.7	-177.3	-66.1	0	0	0	0	113.7	N54 K56	N54-V73 WeakPolarHBondContact O-CG1 3.46Å; K56-V73 HydrophobicContact CG-CG1 4.23Å; K56-V73 PolarHBondContact NZ-O 2.95Å
74	T	96.6	Very high	98.1	Very high	126 Å²	126	35.1 Å²	35.1	77%	0.773	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.7	-179.5	53.9	0	0	0	0	113.7	D72	D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.09Å
75	D	97.2	Very high	98.3	Very high	38 Å²	38	37 Å²	37	20%	0.203	20%	0.203	C	C	.	.	S	Bend	trans	-73.4	159.7	-175	-83.4	-29.4	0	0	0	113.6	M1 V71 D72 N77 Y80	M1-D75 PolarHBondContact N-OD1 3.43Å; M1-D75 VanDerWaalsContact N-OD1 3.09Å; M1-D75 PolarHBondContact N-OD2 2.95Å; V71-D75 HydrophobicContact CB-CB 4.24Å; V71-D75 WeakPolarHBondContact CB-OD2 3.4Å; V71-D75 HydrophobicContact CG2-CB 4.18Å; D72-D75 PolarHBondContact N-OD2 3.49Å; D72-D75 VanDerWaalsContact O-CB 3.31Å; D72-D75 WeakPolarHBondContact O-CB 3.36Å; D72-D75 PolarHBondContact O-N 3.42Å; D72-D75 VanDerWaalsContact O-N 3.08Å; D75-N77 PolarHBondContact O-N 2.62Å; D75-N77 VanDerWaalsContact O-N 3.08Å; D75-Y80 HydrophobicContact CB-CD2 4.49Å; D75-Y80 HydrophobicContact CB-CE2 3.76Å
76	N	97.2	Very high	98.3	Very high	100 Å²	100	37.5 Å²	37.5	54%	0.535	21%	0.206	S	C	.	.			trans	-76	96.4	173.7	-175.8	-12.5	0	0	0	111.2	L78 A79 Y80	N76-L78 PolarHBondContact O-N 3.16Å; N76-L78 VanDerWaalsContact O-N 3.17Å; N76-L78 PolarHBondContact OD1-N 3.15Å; N76-L78 VanDerWaalsContact OD1-N 3.08Å; N76-A79 HydrophobicContact CB-CB 4.07Å; N76-A79 WeakPolarHBondContact O-CB 3.32Å; N76-A79 PolarHBondContact O-N 3.09Å; N76-A79 VanDerWaalsContact O-N 3.08Å; N76-A79 PolarHBondContact OD1-N 2.89Å; N76-Y80 VanDerWaalsContact O-CD2 3.25Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å
77	N	97.6	Very high	98.3	Very high	32 Å²	32	37.1 Å²	37.1	17%	0.171	21%	0.205	C	C	.	.	H	α-helix	trans	-50.6	-39.4	178.5	-64.1	-13.9	0	0	0	114.3	F49 I58 D75 Y80 L81	F49-N77 HydrophobicContact CD1-CB 3.79Å; F49-N77 HydrophobicContact CD2-CB 4.25Å; F49-N77 HydrophobicContact CE1-CB 3.62Å; F49-N77 HydrophobicContact CE2-CB 4.08Å; F49-N77 HydrophobicContact CG-CB 4.11Å; F49-N77 HydrophobicContact CZ-CB 3.77Å; I58-N77 HydrophobicContact CD1-CB 4.5Å; I58-N77 HydrophobicContact CG1-CB 4.3Å; D75-N77 PolarHBondContact O-N 2.62Å; D75-N77 VanDerWaalsContact O-N 3.08Å; N77-Y80 PolarHBondContact O-N 3.45Å; N77-L81 PolarHBondContact O-N 3.24Å; N77-L81 VanDerWaalsContact O-N 3.12Å
78	L	98.3	Very high	98.3	Very high	106 Å²	106	37.3 Å²	37.3	56%	0.555	21%	0.207	S	C	*	.	H	α-helix	trans	-69.5	-35.5	-177.6	-68.7	172.2	0	0	0	111.3	F49 N76 Y80 L81 E82	F49-L78 HydrophobicContact CZ-CD2 3.99Å; N76-L78 PolarHBondContact O-N 3.16Å; N76-L78 VanDerWaalsContact O-N 3.17Å; N76-L78 PolarHBondContact OD1-N 3.15Å; N76-L78 VanDerWaalsContact OD1-N 3.08Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.47Å; L78-L81 PolarHBondContact O-N 3.12Å; L78-E82 WeakPolarHBondContact O-CG 3.44Å; L78-E82 PolarHBondContact O-N 3.35Å
79	A	98.4	Very high	98.3	Very high	38 Å²	38	41.1 Å²	41.1	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-41.9	176.8	0	0	0	0	0	111.5	N76 A83	N76-A79 HydrophobicContact CB-CB 4.07Å; N76-A79 WeakPolarHBondContact O-CB 3.32Å; N76-A79 PolarHBondContact O-N 3.09Å; N76-A79 VanDerWaalsContact O-N 3.08Å; N76-A79 PolarHBondContact OD1-N 2.89Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.36Å
80	Y	98.7	Very high	98.3	Very high	11 Å²	11	41 Å²	41	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-75.2	-31.6	178.2	-64.6	-73.3	0	0	0	113.3	I2 I69 V71 D75 N76 N77 L78 E82 A83 I84 I123	I2-Y80 HydrophobicContact CD1-CD1 4.22Å; I2-Y80 HydrophobicContact CD1-CE1 3.72Å; I2-Y80 HydrophobicContact CG1-CD1 3.97Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I69-Y80 HydrophobicContact CD1-CD1 4.43Å; I69-Y80 HydrophobicContact CG2-CD1 4.09Å; V71-Y80 HydrophobicContact CB-CD2 4.37Å; V71-Y80 HydrophobicContact CB-CE2 4.23Å; V71-Y80 HydrophobicContact CG1-CD1 3.87Å; V71-Y80 HydrophobicContact CG1-CD2 3.79Å; V71-Y80 HydrophobicContact CG1-CE1 3.91Å; V71-Y80 HydrophobicContact CG1-CE2 3.84Å; V71-Y80 HydrophobicContact CG1-CG 3.78Å; V71-Y80 HydrophobicContact CG2-CD2 4.33Å; D75-Y80 HydrophobicContact CB-CD2 4.49Å; D75-Y80 HydrophobicContact CB-CE2 3.76Å; N76-Y80 VanDerWaalsContact O-CD2 3.25Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å; N77-Y80 PolarHBondContact O-N 3.45Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.47Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; Y80-A83 PolarHBondContact O-N 2.95Å; Y80-I84 WeakPolarHBondContact O-CG1 3.46Å; Y80-I84 PolarHBondContact O-N 3.41Å; Y80-I123 HydrophobicContact CD1-CD1 4.21Å; Y80-I123 HydrophobicContact CE1-CD1 4.13Å; Y80-I123 HydrophobicContact CE1-CG1 4.2Å
81	L	98.8	Very high	98.2	Very high	10 Å²	10	41 Å²	41	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-43.2	174.1	-175.6	59.8	0	0	0	111.1	N48 F49 I58 R60 N77 L78 I84 H85	N48-L81 HydrophobicContact CB-CD1 3.85Å; N48-L81 HydrophobicContact CB-CD2 4.16Å; F49-L81 HydrophobicContact CE1-CB 4.17Å; F49-L81 HydrophobicContact CE1-CD2 4.16Å; F49-L81 HydrophobicContact CZ-CD2 4.05Å; I58-L81 HydrophobicContact CG2-CB 4.01Å; I58-L81 HydrophobicContact CG2-CD1 4.46Å; R60-L81 HydrophobicContact CB-CD1 4.12Å; N77-L81 PolarHBondContact O-N 3.24Å; N77-L81 VanDerWaalsContact O-N 3.12Å; L78-L81 PolarHBondContact O-N 3.12Å; L81-I84 PolarHBondContact O-N 3.36Å; L81-H85 PolarHBondContact O-N 2.98Å; L81-H85 VanDerWaalsContact O-N 3.16Å
82	E	98.6	Very high	98.2	Very high	100 Å²	100	44.3 Å²	44.3	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-70.9	-33.8	174.8	-65.1	-49.9	128.1	0	0	111.9	L78 Y80 I84 H85 N86	L78-E82 WeakPolarHBondContact O-CG 3.44Å; L78-E82 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.24Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.89Å; E82-H85 VanDerWaalsContact O-N 3.15Å; E82-N86 WeakPolarHBondContact O-CB 3.15Å; E82-N86 PolarHBondContact O-N 2.92Å
83	A	98.8	Very high	98.2	Very high	10 Å²	10	47.9 Å²	47.9	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-39.6	173.2	0	0	0	0	0	112.4	A79 Y80 H85 F87 F118 I123	A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.36Å; Y80-A83 PolarHBondContact O-N 2.95Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-F87 VanDerWaalsContact O-CB 3.25Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.17Å; A83-F118 HydrophobicContact CB-CE1 3.86Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; A83-I123 HydrophobicContact CB-CD1 3.85Å; A83-I123 HydrophobicContact CB-CG1 4.31Å
84	I	98.9	Very high	98.3	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-43.5	171.9	-69.4	165.5	0	0	0	110.3	I58 R60 Y62 F67 I69 Y80 L81 E82 F87 V88	I58-I84 HydrophobicContact CG2-CD1 4.13Å; I58-I84 WeakPolarHBondContact O-CD1 3.15Å; R60-I84 HydrophobicContact CB-CG2 3.98Å; Y62-I84 HydrophobicContact CE2-CG2 4.15Å; F67-I84 HydrophobicContact CB-CG2 3.61Å; F67-I84 HydrophobicContact CG-CG2 4.34Å; I69-I84 HydrophobicContact CD1-CD1 4.2Å; I69-I84 HydrophobicContact CD1-CG1 3.6Å; I69-I84 HydrophobicContact CG1-CD1 3.96Å; I69-I84 HydrophobicContact CG1-CG1 3.79Å; Y80-I84 WeakPolarHBondContact O-CG1 3.46Å; Y80-I84 PolarHBondContact O-N 3.41Å; L81-I84 PolarHBondContact O-N 3.36Å; E82-I84 PolarHBondContact O-N 3.24Å; I84-F87 PolarHBondContact O-N 3.23Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.05Å; I84-V88 VanDerWaalsContact O-N 3.08Å
85	H	98.8	Very high	98.2	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.269	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-52.9	179.4	-173.2	63.5	0	0	0	111.8	R60 Y62 L81 E82 A83 F87 V88 E89	R60-H85 PolarHBondContact NH1-ND1 3.05Å; Y62-H85 WeakPolarHBondContact OH-CA 3.43Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; L81-H85 PolarHBondContact O-N 2.98Å; L81-H85 VanDerWaalsContact O-N 3.16Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.89Å; E82-H85 VanDerWaalsContact O-N 3.15Å; A83-H85 VanDerWaalsContact C-N 3.31Å; H85-F87 VanDerWaalsContact C-N 3.28Å; H85-F87 PolarHBondContact O-N 2.79Å; H85-V88 PolarHBondContact O-N 3.47Å; H85-V88 VanDerWaalsContact O-N 3.08Å; H85-E89 IonicContact CE1-OE1 2.62Å; H85-E89 IonicContact NE2-OE1 3.52Å; H85-E89 PolarHBondContact NE2-OE1 2.74Å; H85-E89 PolarHBondContact O-N 2.98Å
86	N	98.8	Very high	98.2	Very high	24 Å²	24	47.1 Å²	47.1	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-40.7	177.8	-168.6	44.6	0	0	0	111.8	E82 V88 E89 V90 M117 T126 Q128	E82-N86 WeakPolarHBondContact O-CB 3.15Å; E82-N86 PolarHBondContact O-N 2.92Å; N86-V88 PolarHBondContact O-N 2.93Å; N86-E89 PolarHBondContact O-N 3.43Å; N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 2.91Å; N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; N86-T126 PolarHBondContact ND2-O 2.89Å; N86-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N86-Q128 PolarHBondContact OD1-NE2 2.88Å
87	F	98.8	Very high	98	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-42.8	176.1	173.8	-118.6	0	0	0	112.3	I7 F67 A83 I84 H85 V90 L91 V110 V113 V114 M117 F118	I7-F87 HydrophobicContact CD1-CE1 3.9Å; I7-F87 HydrophobicContact CD1-CZ 4.46Å; F67-F87 HydrophobicContact CD1-CD1 4.11Å; F67-F87 HydrophobicContact CD1-CE1 4.08Å; F67-F87 HydrophobicContact CE1-CD1 4.19Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; A83-F87 VanDerWaalsContact O-CB 3.25Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.17Å; I84-F87 PolarHBondContact O-N 3.23Å; H85-F87 VanDerWaalsContact C-N 3.28Å; H85-F87 PolarHBondContact O-N 2.79Å; F87-V90 PolarHBondContact O-N 3.21Å; F87-L91 HydrophobicContact CD1-CD1 4.09Å; F87-L91 HydrophobicContact CD2-CD1 4.44Å; F87-L91 HydrophobicContact CD2-CG 4.38Å; F87-L91 HydrophobicContact CE1-CD1 3.6Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.04Å; F87-L91 HydrophobicContact CG-CD1 4.5Å; F87-L91 HydrophobicContact CZ-CD1 3.56Å; F87-L91 HydrophobicContact CZ-CD2 4.33Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 3.4Å; F87-V110 HydrophobicContact CZ-CG1 4.15Å; F87-V113 HydrophobicContact CD2-CG1 3.96Å; F87-V113 HydrophobicContact CE2-CB 4.09Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; F87-V114 HydrophobicContact CE1-CG2 4.42Å; F87-V114 HydrophobicContact CE2-CG2 3.56Å; F87-V114 HydrophobicContact CZ-CG2 3.45Å; F87-V114 VanDerWaalsContact CZ-CG2 3.45Å; F87-M117 HydrophobicContact CB-CE 3.98Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.47Å; F87-F118 HydrophobicContact CB-CE2 4.19Å; F87-F118 HydrophobicContact CB-CZ 4.4Å; F87-F118 HydrophobicContact CD2-CE2 4.22Å; F87-F118 HydrophobicContact CG-CE2 4.19Å
88	V	98.7	Very high	97.9	Very high	18 Å²	18	48.9 Å²	48.9	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-36.5	176.7	174.2	0	0	0	0	111.7	Y62 F67 I84 H85 N86 L91 N92	Y62-V88 HydrophobicContact CD1-CG1 3.95Å; Y62-V88 HydrophobicContact CD2-CG1 4.45Å; Y62-V88 HydrophobicContact CD2-CG2 3.91Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.87Å; Y62-V88 HydrophobicContact CE2-CB 4.24Å; Y62-V88 HydrophobicContact CE2-CG1 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.71Å; Y62-V88 HydrophobicContact CG-CG1 4.22Å; Y62-V88 HydrophobicContact CG-CG2 4.44Å; F67-V88 HydrophobicContact CD1-CG2 3.89Å; F67-V88 HydrophobicContact CD2-CG2 4.37Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 4.16Å; F67-V88 HydrophobicContact CG-CG2 4.25Å; F67-V88 HydrophobicContact CZ-CG2 3.8Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.05Å; I84-V88 VanDerWaalsContact O-N 3.08Å; H85-V88 PolarHBondContact O-N 3.47Å; H85-V88 VanDerWaalsContact O-N 3.08Å; N86-V88 PolarHBondContact O-N 2.93Å; V88-L91 PolarHBondContact O-N 3.12Å; V88-N92 WeakPolarHBondContact O-CB 3.49Å; V88-N92 PolarHBondContact O-N 3.27Å
89	E	98.7	Very high	97.8	Very high	79 Å²	79	46.8 Å²	46.8	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-45.9	174.3	-69.3	-170.3	139.2	0	0	111.9	H85 N86 L91 N92 E93 Q128	H85-E89 IonicContact CE1-OE1 2.62Å; H85-E89 IonicContact NE2-OE1 3.52Å; H85-E89 PolarHBondContact NE2-OE1 2.74Å; H85-E89 PolarHBondContact O-N 2.98Å; N86-E89 PolarHBondContact O-N 3.43Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.08Å; E89-N92 WeakPolarHBondContact O-CB 3.36Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.1Å; E89-E93 PolarHBondContact O-N 2.91Å; E89-Q128 PolarHBondContact OE2-NE2 2.91Å
90	V	98.7	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.1	173	0	0	0	0	111.2	N86 F87 N92 E93 Y94 V113 M117 Q128 V131 L132	N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 2.91Å; F87-V90 PolarHBondContact O-N 3.21Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.33Å; V90-E93 PolarHBondContact O-N 2.75Å; V90-Y94 WeakPolarHBondContact O-CB 3.4Å; V90-Y94 PolarHBondContact O-N 3.46Å; V90-V113 HydrophobicContact CB-CG1 4.41Å; V90-V113 HydrophobicContact CG1-CG1 3.61Å; V90-M117 HydrophobicContact CB-SD 4.01Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.23Å; V90-M117 HydrophobicContact CG2-SD 3.89Å; V90-Q128 HydrophobicContact CG2-CB 3.94Å; V90-Q128 HydrophobicContact CG2-CG 3.71Å; V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.77Å; V90-L132 HydrophobicContact CG1-CD2 4.28Å; V90-L132 HydrophobicContact CG1-CG 4.49Å
91	L	98.6	Very high	97.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-42.8	175.1	-73.1	174.4	0	0	0	111.6	F67 F87 V88 E89 E93 Y94 F95 V98 V110 V113	F67-L91 HydrophobicContact CE1-CD1 4.34Å; F87-L91 HydrophobicContact CD1-CD1 4.09Å; F87-L91 HydrophobicContact CD2-CD1 4.44Å; F87-L91 HydrophobicContact CD2-CG 4.38Å; F87-L91 HydrophobicContact CE1-CD1 3.6Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.04Å; F87-L91 HydrophobicContact CG-CD1 4.5Å; F87-L91 HydrophobicContact CZ-CD1 3.56Å; F87-L91 HydrophobicContact CZ-CD2 4.33Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 3.4Å; V88-L91 PolarHBondContact O-N 3.12Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.08Å; L91-E93 PolarHBondContact O-N 3.08Å; L91-Y94 PolarHBondContact O-N 2.99Å; L91-F95 HydrophobicContact CD2-CD2 4.17Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 WeakPolarHBondContact O-CB 3.31Å; L91-F95 WeakPolarHBondContact O-CD2 3.24Å; L91-F95 PolarHBondContact O-N 3.44Å; L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.23Å; L91-V98 HydrophobicContact CB-CG2 4.29Å; L91-V110 HydrophobicContact CD2-CG1 4.11Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.27Å; L91-V113 HydrophobicContact CD2-CG2 4.05Å
92	N	98.1	Very high	97.7	Very high	69 Å²	69	53.4 Å²	53.4	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-39	-178.7	-171.1	67.8	0	0	0	112.7	V88 E89 V90 H96 N97 V98	V88-N92 WeakPolarHBondContact O-CB 3.49Å; V88-N92 PolarHBondContact O-N 3.27Å; E89-N92 WeakPolarHBondContact O-CB 3.36Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.1Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.33Å; N92-H96 WeakPolarHBondContact O-CA 3.25Å; N92-H96 PolarHBondContact O-N 3.42Å; N92-H96 VanDerWaalsContact O-N 3.12Å; N92-N97 PolarHBondContact O-N 2.84Å; N92-N97 VanDerWaalsContact O-N 3.13Å; N92-N97 WeakPolarHBondContact OD1-CA 3.33Å; N92-V98 HydrophobicContact CB-CG1 4Å; N92-V98 PolarHBondContact OD1-N 3.11Å
93	E	98	Very high	97.7	Very high	104 Å²	104	49 Å²	49	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-69.9	-44.2	174.4	-171.7	169.6	168.6	0	0	111.4	E89 V90 L91 H96 L132	E89-E93 PolarHBondContact O-N 2.91Å; V90-E93 PolarHBondContact O-N 2.75Å; L91-E93 PolarHBondContact O-N 3.08Å; E93-H96 PolarHBondContact O-N 2.85Å; E93-H96 PolarHBondContact O-ND1 2.85Å; E93-L132 HydrophobicContact CB-CD1 4.1Å; E93-L132 HydrophobicContact CB-CD2 4.39Å; E93-L132 HydrophobicContact CG-CD1 3.68Å; E93-L132 HydrophobicContact CG-CD2 4.37Å; E93-L132 VanDerWaalsContact OE1-CD1 3.26Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.37Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.24Å
94	Y	97.2	Very high	97.6	Very high	31 Å²	31	51 Å²	51	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-37.8	-177.6	-176.9	-113.4	0	0	0	113.9	V90 L91 K109 V113 L132 L135 Q139	V90-Y94 WeakPolarHBondContact O-CB 3.4Å; V90-Y94 PolarHBondContact O-N 3.46Å; L91-Y94 PolarHBondContact O-N 2.99Å; Y94-K109 HydrophobicContact CE1-CB 4Å; Y94-K109 HydrophobicContact CE1-CD 4.28Å; Y94-V113 HydrophobicContact CD1-CG2 4.24Å; Y94-V113 HydrophobicContact CE1-CG2 4.41Å; Y94-L132 HydrophobicContact CD2-CD2 4.21Å; Y94-L132 HydrophobicContact CG-CD2 4.45Å; Y94-L135 HydrophobicContact CD2-CB 4.19Å; Y94-L135 HydrophobicContact CD2-CD1 3.8Å; Y94-L135 HydrophobicContact CE2-CB 3.69Å; Y94-L135 HydrophobicContact CE2-CD1 3.94Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.13Å; Y94-Q139 PolarHBondContact OH-NE2 3.47Å
95	F	96.6	Very high	97.6	Very high	33 Å²	33	57.7 Å²	57.7	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-96.7	-1.7	179	-70.9	-74.1	0	0	0	114	L91 V98 D102 N106 K109 V110	L91-F95 HydrophobicContact CD2-CD2 4.17Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 WeakPolarHBondContact O-CB 3.31Å; L91-F95 WeakPolarHBondContact O-CD2 3.24Å; L91-F95 PolarHBondContact O-N 3.44Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.33Å; F95-V98 HydrophobicContact CD2-CG2 3.79Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.19Å; F95-D102 HydrophobicContact CG-CB 4.16Å; F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4Å; F95-K109 HydrophobicContact CE1-CD 4.45Å; F95-K109 HydrophobicContact CZ-CB 4.12Å; F95-V110 HydrophobicContact CE2-CG2 3.89Å; F95-V110 HydrophobicContact CZ-CG2 3.9Å
96	H	95.2	Very high	97.4	Very high	154 Å²	154	56.7 Å²	56.7	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	72.5	-176.1	-57	-58.7	0	0	0	113.5	N92 E93	N92-H96 WeakPolarHBondContact O-CA 3.25Å; N92-H96 PolarHBondContact O-N 3.42Å; N92-H96 VanDerWaalsContact O-N 3.12Å; E93-H96 PolarHBondContact O-N 2.85Å; E93-H96 PolarHBondContact O-ND1 2.85Å
97	N	93.1	Very high	97.3	Very high	133 Å²	133	61 Å²	61	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	77.8	69.3	-169.3	-49.2	-65	0	0	0	112.6	N92 C99	N92-N97 PolarHBondContact O-N 2.84Å; N92-N97 VanDerWaalsContact O-N 3.13Å; N92-N97 WeakPolarHBondContact OD1-CA 3.33Å; N97-C99 PolarHBondContact O-N 3.35Å
98	V	96.8	Very high	97.1	Very high	36 Å²	36	66 Å²	66	22%	0.218	32%	0.324	C	S	.	.			trans	-57.6	135.8	-179.7	67.6	0	0	0	0	111.7	L91 N92 F95 D102 L103	L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.23Å; L91-V98 HydrophobicContact CB-CG2 4.29Å; N92-V98 HydrophobicContact CB-CG1 4Å; N92-V98 PolarHBondContact OD1-N 3.11Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.33Å; F95-V98 HydrophobicContact CD2-CG2 3.79Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; V98-D102 HydrophobicContact CG2-CB 4.13Å; V98-L103 HydrophobicContact CG2-CD1 3.78Å
99	C	96.7	Very high	97	Very high	62 Å²	62	67.6 Å²	67.6	42%	0.419	33%	0.329	S	S	.	.			trans	-126.4	170.2	172.1	76.6	0	0	0	0	111.7	N97 L101 D102 L103	N97-C99 PolarHBondContact O-N 3.35Å; C99-L101 PolarHBondContact O-N 3.29Å; C99-D102 PolarHBondContact N-OD2 3.21Å; C99-D102 WeakPolarHBondContact O-CB 3.41Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 PolarHBondContact SG-OD2 3.45Å; C99-L103 WeakPolarHBondContact O-CD1 3.5Å
100	E	97.7	Very high	97	Very high	59 Å²	59	63.9 Å²	63.9	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-32.6	-179.5	179.4	173.5	-178.3	0	0	113	N9 R15 L65 D102 L103 V104	N9-E100 VanDerWaalsContact CB-OE1 3.25Å; N9-E100 WeakPolarHBondContact CB-OE1 3.47Å; N9-E100 PolarHBondContact ND2-OE1 3.32Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 IonicContact NE-OE1 2.79Å; R15-E100 PolarHBondContact NE-OE1 2.86Å; R15-E100 IonicContact NH2-OE1 3.92Å; R15-E100 PolarHBondContact NH2-OE1 3.46Å; L65-E100 HydrophobicContact CD1-CB 4.22Å; L65-E100 HydrophobicContact CD1-CG 4.45Å; L65-E100 HydrophobicContact CD2-CG 4.01Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 2.85Å; E100-L103 PolarHBondContact O-N 3.04Å; E100-V104 WeakPolarHBondContact O-CG2 3.31Å; E100-V104 PolarHBondContact O-N 2.95Å
101	L	97.3	Very high	96.9	Very high	105 Å²	105	67 Å²	67	55%	0.55	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-31.8	178.6	-63.2	176.4	0	0	0	112	C99 L103 V104 F105	C99-L101 PolarHBondContact O-N 3.29Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.49Å; L101-V104 PolarHBondContact O-N 2.63Å; L101-V104 VanDerWaalsContact O-N 3.11Å; L101-F105 HydrophobicContact CB-CD2 3.99Å; L101-F105 HydrophobicContact CB-CE2 4.09Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.38Å
102	D	97.7	Very high	96.9	Very high	35 Å²	35	69.2 Å²	69.2	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-38.8	175.7	-60.9	-54.4	0	0	0	111.2	F95 V98 C99 E100 V104 N106	F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.19Å; F95-D102 HydrophobicContact CG-CB 4.16Å; V98-D102 HydrophobicContact CG2-CB 4.13Å; C99-D102 PolarHBondContact N-OD2 3.21Å; C99-D102 WeakPolarHBondContact O-CB 3.41Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 PolarHBondContact SG-OD2 3.45Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 2.85Å; D102-V104 PolarHBondContact O-N 3.38Å; D102-N106 CarbonylContact O-C 3.52Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.49Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 2.94Å
103	L	98.1	Very high	96.9	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-27.8	175.8	-69.9	74.6	0	0	0	112.2	I7 R15 L65 F67 V98 C99 E100 L101 V110	I7-L103 HydrophobicContact CD1-CD2 4.06Å; I7-L103 HydrophobicContact CG2-CD2 3.91Å; R15-L103 HydrophobicContact CB-CB 4.14Å; R15-L103 HydrophobicContact CB-CD2 4.15Å; L65-L103 HydrophobicContact CD1-CD2 3.99Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å; V98-L103 HydrophobicContact CG2-CD1 3.78Å; C99-L103 WeakPolarHBondContact O-CD1 3.5Å; E100-L103 PolarHBondContact O-N 3.04Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.49Å; L103-V110 HydrophobicContact CG-CG2 4.4Å
104	V	98	Very high	96.9	Very high	52 Å²	52	61 Å²	61	32%	0.315	30%	0.297	S	S	.	.	H	α-helix	trans	-81.4	-50.8	178.5	176.4	0	0	0	0	111.6	R15 E100 L101 D102	R15-V104 VanDerWaalsContact NH1-CG2 3.25Å; E100-V104 WeakPolarHBondContact O-CG2 3.31Å; E100-V104 PolarHBondContact O-N 2.95Å; L101-V104 PolarHBondContact O-N 2.63Å; L101-V104 VanDerWaalsContact O-N 3.11Å; D102-V104 PolarHBondContact O-N 3.38Å
105	F	97.6	Very high	96.9	Very high	146 Å²	146	62.1 Å²	62.1	64%	0.64	31%	0.306	S	S	*	.	H	α-helix	trans	-87.3	-29.1	-172.2	-65.8	-62.4	0	0	0	113.2	L101	L101-F105 HydrophobicContact CB-CD2 3.99Å; L101-F105 HydrophobicContact CB-CE2 4.09Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.38Å
106	N	95.9	Very high	97	Very high	37 Å²	37	61.7 Å²	61.7	20%	0.198	30%	0.304	C	S	.	.	S	Bend	trans	-110.3	32.9	179.7	-58.1	-71.2	0	0	0	111.8	F95 D102 Y108 K109 V110	F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4Å; D102-N106 CarbonylContact O-C 3.52Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.49Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 2.94Å; N106-Y108 PolarHBondContact O-N 3.36Å; N106-Y108 VanDerWaalsContact O-N 3.16Å; N106-K109 HydrophobicContact CB-CB 4.42Å; N106-K109 HydrophobicContact CB-CD 4.25Å; N106-K109 HydrophobicContact CB-CG 4.42Å; N106-K109 WeakPolarHBondContact O-CB 3.33Å; N106-K109 PolarHBondContact O-N 3.09Å; N106-V110 PolarHBondContact O-N 2.74Å; N106-V110 VanDerWaalsContact O-N 3.14Å
107	F	96.2	Very high	97.2	Very high	115 Å²	115	54.5 Å²	54.5	50%	0.504	27%	0.271	S	S	.	.	H	α-helix	trans	-52.2	-42.5	-174.8	70.5	-89	0	0	0	112.2	K109 V110 Y111	F107-K109 VanDerWaalsContact C-N 3.31Å; F107-K109 PolarHBondContact O-N 3.38Å; F107-V110 CarbonylContact O-C 3.58Å; F107-V110 WeakPolarHBondContact O-CA 3.46Å; F107-V110 WeakPolarHBondContact O-CB 3.11Å; F107-V110 PolarHBondContact O-N 3.5Å; F107-Y111 HydrophobicContact CD2-CD2 4.46Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.48Å; F107-Y111 PolarHBondContact O-N 3.44Å
108	Y	95.1	Very high	97.4	Very high	109 Å²	109	48.3 Å²	48.3	43%	0.427	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-41.3	179.6	61.3	-82.4	0	0	0	112.1	N106 Y111 T112	N106-Y108 PolarHBondContact O-N 3.36Å; N106-Y108 VanDerWaalsContact O-N 3.16Å; Y108-Y111 PolarHBondContact O-N 3.01Å; Y108-T112 PolarHBondContact O-N 3.45Å; Y108-T112 PolarHBondContact O-OG1 2.9Å
109	K	96	Very high	97.5	Very high	52 Å²	52	51 Å²	51	23%	0.226	25%	0.25	C	S	.	.	H	α-helix	trans	-66	-40.4	174.6	-57.6	-173.6	177.9	173	0	111.7	Y94 F95 N106 F107 Y111 T112 V113	Y94-K109 HydrophobicContact CE1-CB 4Å; Y94-K109 HydrophobicContact CE1-CD 4.28Å; F95-K109 HydrophobicContact CE1-CD 4.45Å; F95-K109 HydrophobicContact CZ-CB 4.12Å; N106-K109 HydrophobicContact CB-CB 4.42Å; N106-K109 HydrophobicContact CB-CD 4.25Å; N106-K109 HydrophobicContact CB-CG 4.42Å; N106-K109 WeakPolarHBondContact O-CB 3.33Å; N106-K109 PolarHBondContact O-N 3.09Å; F107-K109 VanDerWaalsContact C-N 3.31Å; F107-K109 PolarHBondContact O-N 3.38Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.92Å; K109-T112 WeakPolarHBondContact O-CB 3.18Å; K109-T112 PolarHBondContact O-N 3.1Å; K109-T112 VanDerWaalsContact O-N 3.14Å; K109-V113 WeakPolarHBondContact O-CG2 3.41Å; K109-V113 PolarHBondContact O-N 3.45Å
110	V	98.1	Very high	97.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-40.8	175.2	-177.8	0	0	0	0	110.8	L16 F87 L91 F95 L103 N106 F107 T112 V113 V114	L16-V110 HydrophobicContact CD1-CG1 3.65Å; F87-V110 HydrophobicContact CZ-CG1 4.15Å; L91-V110 HydrophobicContact CD2-CG1 4.11Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; F95-V110 HydrophobicContact CE2-CG2 3.89Å; F95-V110 HydrophobicContact CZ-CG2 3.9Å; L103-V110 HydrophobicContact CG-CG2 4.4Å; N106-V110 PolarHBondContact O-N 2.74Å; N106-V110 VanDerWaalsContact O-N 3.14Å; F107-V110 CarbonylContact O-C 3.58Å; F107-V110 WeakPolarHBondContact O-CA 3.46Å; F107-V110 WeakPolarHBondContact O-CB 3.11Å; F107-V110 PolarHBondContact O-N 3.5Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-V113 WeakPolarHBondContact O-CB 3.44Å; V110-V113 PolarHBondContact O-N 3.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.2Å
111	Y	98.1	Very high	97.5	Very high	64 Å²	64	48.9 Å²	48.9	25%	0.251	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-36.7	173.4	-88.2	-94.3	0	0	0	112.1	L16 A17 K18 F107 Y108 K109 V114 D115	L16-Y111 HydrophobicContact CD1-CD2 4.06Å; L16-Y111 HydrophobicContact CD1-CE2 3.96Å; L16-Y111 HydrophobicContact CD1-CG 4.44Å; L16-Y111 HydrophobicContact CG-CD2 4.5Å; L16-Y111 HydrophobicContact CG-CE1 4.44Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; A17-Y111 VanDerWaalsContact C-OH 3.29Å; A17-Y111 PolarHBondContact N-OH 2.93Å; A17-Y111 PolarHBondContact O-OH 3.12Å; K18-Y111 HydrophobicContact CB-CE1 4.43Å; K18-Y111 HydrophobicContact CD-CD1 4.19Å; K18-Y111 HydrophobicContact CD-CE1 4.04Å; F107-Y111 HydrophobicContact CD2-CD2 4.46Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.48Å; F107-Y111 PolarHBondContact O-N 3.44Å; Y108-Y111 PolarHBondContact O-N 3.01Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.92Å; Y111-V114 PolarHBondContact O-N 3.13Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.42Å
112	T	96.8	Very high	97.5	Very high	49 Å²	49	48.3 Å²	48.3	30%	0.301	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-43.9	171.3	-47.1	0	0	0	0	111.6	Y108 K109 V110 V114 D115 E116 L135 L138	Y108-T112 PolarHBondContact O-N 3.45Å; Y108-T112 PolarHBondContact O-OG1 2.9Å; K109-T112 WeakPolarHBondContact O-CB 3.18Å; K109-T112 PolarHBondContact O-N 3.1Å; K109-T112 VanDerWaalsContact O-N 3.14Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.23Å; T112-V114 VanDerWaalsContact C-N 3.32Å; T112-V114 PolarHBondContact O-N 3.28Å; T112-D115 PolarHBondContact O-N 3.16Å; T112-E116 PolarHBondContact O-N 3.42Å; T112-L135 HydrophobicContact CG2-CD2 3.58Å; T112-L138 HydrophobicContact CG2-CD1 3.76Å
113	V	98.4	Very high	97.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.8	-172.8	0	0	0	0	111	F87 V90 L91 Y94 K109 V110 D115 E116 M117 V131 L135	F87-V113 HydrophobicContact CD2-CG1 3.96Å; F87-V113 HydrophobicContact CE2-CB 4.09Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; V90-V113 HydrophobicContact CB-CG1 4.41Å; V90-V113 HydrophobicContact CG1-CG1 3.61Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.27Å; L91-V113 HydrophobicContact CD2-CG2 4.05Å; Y94-V113 HydrophobicContact CD1-CG2 4.24Å; Y94-V113 HydrophobicContact CE1-CG2 4.41Å; K109-V113 WeakPolarHBondContact O-CG2 3.41Å; K109-V113 PolarHBondContact O-N 3.45Å; V110-V113 WeakPolarHBondContact O-CB 3.44Å; V110-V113 PolarHBondContact O-N 3.43Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.82Å; V113-E116 PolarHBondContact O-N 3.48Å; V113-M117 HydrophobicContact CG1-SD 3.97Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.84Å; V113-M117 VanDerWaalsContact O-N 3.09Å; V113-V131 HydrophobicContact CG1-CG1 4.48Å; V113-L135 HydrophobicContact CB-CD1 4.49Å; V113-L135 HydrophobicContact CG2-CD1 3.68Å; V113-L135 HydrophobicContact CG2-CD2 4.18Å
114	V	98.6	Very high	97.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-45.1	176	170.5	0	0	0	0	111.1	I5 L16 K18 F87 V110 Y111 T112 E116 M117 F118	I5-V114 HydrophobicContact CD1-CG1 4.24Å; L16-V114 HydrophobicContact CD1-CG2 3.71Å; K18-V114 HydrophobicContact CB-CG1 4.44Å; K18-V114 HydrophobicContact CD-CG1 4.49Å; K18-V114 HydrophobicContact CG-CG1 4.17Å; F87-V114 HydrophobicContact CE1-CG2 4.42Å; F87-V114 HydrophobicContact CE2-CG2 3.56Å; F87-V114 HydrophobicContact CZ-CG2 3.45Å; F87-V114 VanDerWaalsContact CZ-CG2 3.45Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.2Å; Y111-V114 PolarHBondContact O-N 3.13Å; T112-V114 VanDerWaalsContact C-N 3.32Å; T112-V114 PolarHBondContact O-N 3.28Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.88Å; V114-M117 PolarHBondContact O-N 2.88Å; V114-F118 HydrophobicContact CG1-CD2 4.23Å; V114-F118 WeakPolarHBondContact O-CA 3.49Å; V114-F118 WeakPolarHBondContact O-CB 3.25Å; V114-F118 PolarHBondContact O-N 3.14Å
115	D	97.7	Very high	97.5	Very high	55 Å²	55	55 Å²	55	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-72.4	-23.7	-176.6	-71.4	-16.7	0	0	0	113.4	K18 Y111 T112 V113 R124	K18-D115 VanDerWaalsContact CE-OD1 3.31Å; K18-D115 WeakPolarHBondContact CE-OD1 3.16Å; K18-D115 IonicContact NZ-OD1 2.89Å; K18-D115 PolarHBondContact NZ-OD1 3.14Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 2.97Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.42Å; T112-D115 PolarHBondContact O-N 3.16Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.82Å; D115-R124 PolarHBondContact O-NH1 3.02Å; D115-R124 VanDerWaalsContact O-NH1 3.08Å
116	E	97.9	Very high	97.5	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-75.3	-35.9	169	-68.3	-54.4	161.5	0	0	112.7	T112 V113 V114 R124 V131 Q134 L135	T112-E116 PolarHBondContact O-N 3.42Å; V113-E116 PolarHBondContact O-N 3.48Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.88Å; E116-R124 WeakPolarHBondContact O-CD 3.3Å; E116-R124 IonicContact OE2-CZ 3.42Å; E116-R124 IonicContact OE2-NH1 3.11Å; E116-R124 PolarHBondContact OE2-NH1 3.08Å; E116-R124 IonicContact OE2-NH2 3.43Å; E116-R124 PolarHBondContact OE2-NH2 2.99Å; E116-V131 HydrophobicContact CB-CG1 4.03Å; E116-Q134 HydrophobicContact CG-CG 4.17Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.47Å; E116-L135 HydrophobicContact CG-CD2 4.26Å
117	M	98.6	Very high	97.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-90.7	-26.7	-176.2	-66.1	-173.1	67.5	0	0	114.2	N86 F87 V90 V113 V114 R124 V131	N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; F87-M117 HydrophobicContact CB-CE 3.98Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.47Å; V90-M117 HydrophobicContact CB-SD 4.01Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.23Å; V90-M117 HydrophobicContact CG2-SD 3.89Å; V113-M117 HydrophobicContact CG1-SD 3.97Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.84Å; V113-M117 VanDerWaalsContact O-N 3.09Å; V114-M117 PolarHBondContact O-N 2.88Å; M117-R124 PolarHBondContact O-N 3.03Å; M117-V131 HydrophobicContact CG-CG1 4.13Å; M117-V131 HydrophobicContact CG-CG2 3.9Å
118	F	98.7	Very high	97.8	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	121.7	-173.2	-54.4	-81.5	0	0	0	110.5	I2 I5 Y20 I69 A83 F87 V114 E122 I123	I2-F118 HydrophobicContact CD1-CD1 3.65Å; I2-F118 HydrophobicContact CD1-CE1 4.24Å; I2-F118 HydrophobicContact CD1-CG 4.49Å; I5-F118 HydrophobicContact CD1-CB 4.22Å; I5-F118 HydrophobicContact CD1-CD1 4.31Å; I5-F118 HydrophobicContact CD1-CD2 3.86Å; I5-F118 HydrophobicContact CD1-CE2 4.27Å; I5-F118 HydrophobicContact CD1-CG 3.88Å; Y20-F118 WeakPolarHBondContact OH-CB 3.29Å; Y20-F118 PolarHBondContact OH-O 2.97Å; I69-F118 HydrophobicContact CD1-CE1 4.17Å; I69-F118 HydrophobicContact CD1-CZ 4.26Å; A83-F118 HydrophobicContact CB-CE1 3.86Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; F87-F118 HydrophobicContact CB-CE2 4.19Å; F87-F118 HydrophobicContact CB-CZ 4.4Å; F87-F118 HydrophobicContact CD2-CE2 4.22Å; F87-F118 HydrophobicContact CG-CE2 4.19Å; V114-F118 HydrophobicContact CG1-CD2 4.23Å; V114-F118 WeakPolarHBondContact O-CA 3.49Å; V114-F118 WeakPolarHBondContact O-CB 3.25Å; V114-F118 PolarHBondContact O-N 3.14Å; F118-E122 CarbonylContact C-O 3.57Å; F118-E122 VanDerWaalsContact CA-O 3.32Å; F118-E122 WeakPolarHBondContact CA-O 3.34Å; F118-I123 HydrophobicContact CD1-CG1 4.26Å; F118-I123 HydrophobicContact CE1-CG1 4.16Å
119	L	97.7	Very high	97.9	Very high	92 Å²	92	49.6 Å²	49.6	48%	0.482	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.7	-177.2	-176	65.5	0	0	0	110.6	G121 E122 R124	L119-G121 PolarHBondContact O-N 3.23Å; L119-G121 VanDerWaalsContact O-N 3.12Å; L119-E122 PolarHBondContact N-O 2.99Å; L119-E122 PolarHBondContact O-N 2.87Å; L119-R124 HydrophobicContact CB-CB 4.17Å; L119-R124 HydrophobicContact CB-CG 4.43Å
120	A	96.9	Very high	98	Very high	78 Å²	78	53.1 Å²	53.1	65%	0.645	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.8	178.4	0	0	0	0	0	114.2	E122	A120-E122 VanDerWaalsContact C-N 3.31Å
121	G	97.6	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	9.9	-179.6	0	0	0	0	0	114.4	M1 I2 L119	M1-G121 WeakPolarHBondContact CG-O 3.41Å; I2-G121 WeakPolarHBondContact CA-O 3.2Å; I2-G121 VanDerWaalsContact CB-O 3.25Å; I2-G121 WeakPolarHBondContact CB-O 3.29Å; I2-G121 VanDerWaalsContact CG1-O 3.31Å; I2-G121 WeakPolarHBondContact CG1-O 3.32Å; I2-G121 PolarHBondContact N-O 3.39Å; L119-G121 PolarHBondContact O-N 3.23Å; L119-G121 VanDerWaalsContact O-N 3.12Å
122	E	98	Very high	98	Very high	92 Å²	92	50.7 Å²	50.7	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157	-178.2	-63.4	-59.9	151.8	0	0	111.5	M1 F118 L119 A120 R124	M1-E122 WeakPolarHBondContact CA-OE1 3.32Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å; F118-E122 CarbonylContact C-O 3.57Å; F118-E122 VanDerWaalsContact CA-O 3.32Å; F118-E122 WeakPolarHBondContact CA-O 3.34Å; L119-E122 PolarHBondContact N-O 2.99Å; L119-E122 PolarHBondContact O-N 2.87Å; A120-E122 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3Å
123	I	98.4	Very high	98	Very high	57 Å²	57	56 Å²	56	29%	0.292	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.6	171.5	-60.5	169.5	0	0	0	108	Y80 A83 F118 T126	Y80-I123 HydrophobicContact CD1-CD1 4.21Å; Y80-I123 HydrophobicContact CE1-CD1 4.13Å; Y80-I123 HydrophobicContact CE1-CG1 4.2Å; A83-I123 HydrophobicContact CB-CD1 3.85Å; A83-I123 HydrophobicContact CB-CG1 4.31Å; F118-I123 HydrophobicContact CD1-CG1 4.26Å; F118-I123 HydrophobicContact CE1-CG1 4.16Å; I123-T126 HydrophobicContact CG2-CG2 3.6Å
124	R	97.1	Very high	97.9	Very high	131 Å²	131	59.1 Å²	59.1	49%	0.494	30%	0.304	S	S	.	.			trans	-101.5	-80.4	-175.4	-179.8	-179.2	174.4	-145.7	-10.4	111.9	D115 E116 M117 L119 E122	D115-R124 PolarHBondContact O-NH1 3.02Å; D115-R124 VanDerWaalsContact O-NH1 3.08Å; E116-R124 WeakPolarHBondContact O-CD 3.3Å; E116-R124 IonicContact OE2-CZ 3.42Å; E116-R124 IonicContact OE2-NH1 3.11Å; E116-R124 PolarHBondContact OE2-NH1 3.08Å; E116-R124 IonicContact OE2-NH2 3.43Å; E116-R124 PolarHBondContact OE2-NH2 2.99Å; M117-R124 PolarHBondContact O-N 3.03Å; L119-R124 HydrophobicContact CB-CB 4.17Å; L119-R124 HydrophobicContact CB-CG 4.43Å; E122-R124 PolarHBondContact O-N 3Å
125	E	98.4	Very high	97.7	Very high	47 Å²	47	59.2 Å²	59.2	22%	0.22	30%	0.304	C	S	.	.			trans	-109.7	128	-178.9	-178.2	57.6	-100.1	0	0	110	S127 K130 V131	E125-S127 VanDerWaalsContact OE1-CB 3.24Å; E125-S127 WeakPolarHBondContact OE1-CB 3.45Å; E125-S127 PolarHBondContact OE1-N 3.32Å; E125-K130 HydrophobicContact CG-CB 4.03Å; E125-K130 WeakPolarHBondContact OE2-CD 3.47Å; E125-K130 IonicContact OE2-NZ 3.54Å; E125-V131 HydrophobicContact CB-CG2 4.04Å; E125-V131 HydrophobicContact CG-CG2 3.64Å
126	T	98.2	Very high	97.5	Very high	88 Å²	88	61.6 Å²	61.6	54%	0.54	32%	0.317	S	S	.	.			trans	-108.4	-16.1	-177.9	54.2	0	0	0	0	112.5	N86 I123 Q128	N86-T126 PolarHBondContact ND2-O 2.89Å; I123-T126 HydrophobicContact CG2-CG2 3.6Å; T126-Q128 PolarHBondContact O-N 3.45Å
127	S	98.5	Very high	97.3	Very high	44 Å²	44	64.2 Å²	64.2	31%	0.308	33%	0.33	S	S	.	.			trans	-76	110.6	176.3	178.8	0	0	0	0	111.1	E125 T129 K130 V131	E125-S127 VanDerWaalsContact OE1-CB 3.24Å; E125-S127 WeakPolarHBondContact OE1-CB 3.45Å; E125-S127 PolarHBondContact OE1-N 3.32Å; S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 2.89Å; S127-K130 PolarHBondContact O-N 3.11Å; S127-V131 WeakPolarHBondContact O-CG2 3.26Å; S127-V131 PolarHBondContact O-N 3.43Å
128	Q	98.3	Very high	97	Very high	50 Å²	50	66.7 Å²	66.7	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-52.3	-45.6	176.8	-55.9	-175.9	11.2	0	0	111.5	N86 E89 V90 T126 K130 V131 L132	N86-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N86-Q128 PolarHBondContact OD1-NE2 2.88Å; E89-Q128 PolarHBondContact OE2-NE2 2.91Å; V90-Q128 HydrophobicContact CG2-CB 3.94Å; V90-Q128 HydrophobicContact CG2-CG 3.71Å; T126-Q128 PolarHBondContact O-N 3.45Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.39Å; Q128-V131 PolarHBondContact O-N 3.26Å; Q128-L132 WeakPolarHBondContact O-CB 3.43Å; Q128-L132 WeakPolarHBondContact O-CD1 3.05Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.24Å; Q128-L132 PolarHBondContact O-N 3.26Å
129	T	98.1	Very high	96.4	Very high	110 Å²	110	69.6 Å²	69.6	68%	0.675	36%	0.357	S	S	*	.	H	α-helix	trans	-58.1	-42.1	178	-48.8	0	0	0	0	113	S127 K133	S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 2.89Å; T129-K133 VanDerWaalsContact O-CB 3.25Å; T129-K133 WeakPolarHBondContact O-CB 3.38Å; T129-K133 PolarHBondContact O-N 3.37Å
130	K	98.3	Very high	96	Very high	126 Å²	126	69.4 Å²	69.4	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-70.5	-43.1	178.7	-72.1	-178.3	179.8	175.5	0	111.6	E125 S127 Q128 K133 Q134	E125-K130 HydrophobicContact CG-CB 4.03Å; E125-K130 WeakPolarHBondContact OE2-CD 3.47Å; E125-K130 IonicContact OE2-NZ 3.54Å; S127-K130 PolarHBondContact O-N 3.11Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.39Å; K130-K133 PolarHBondContact O-N 2.95Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 3.26Å
131	V	98.4	Very high	95.5	Very high	1 Å²	1	72 Å²	72	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-59.1	-52.6	176.7	178.1	0	0	0	0	109.9	V90 V113 E116 M117 E125 S127 Q128 K133 Q134 L135	V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.77Å; V113-V131 HydrophobicContact CG1-CG1 4.48Å; E116-V131 HydrophobicContact CB-CG1 4.03Å; M117-V131 HydrophobicContact CG-CG1 4.13Å; M117-V131 HydrophobicContact CG-CG2 3.9Å; E125-V131 HydrophobicContact CB-CG2 4.04Å; E125-V131 HydrophobicContact CG-CG2 3.64Å; S127-V131 WeakPolarHBondContact O-CG2 3.26Å; S127-V131 PolarHBondContact O-N 3.43Å; Q128-V131 PolarHBondContact O-N 3.26Å; V131-K133 PolarHBondContact O-N 3.04Å; V131-Q134 WeakPolarHBondContact O-CB 3.23Å; V131-Q134 PolarHBondContact O-N 3.34Å; V131-Q134 VanDerWaalsContact O-N 3.11Å; V131-L135 HydrophobicContact CG1-CD1 3.92Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.32Å; V131-L135 PolarHBondContact O-N 3.05Å
132	L	97.8	Very high	94.3	Very high	15 Å²	15	81.5 Å²	81.5	8%	0.079	41%	0.41	C	S	.	.	H	α-helix	trans	-60.9	-42.8	-179.6	-68.5	163.4	0	0	0	112.5	V90 E93 Y94 Q128 Q134 L135 L136	V90-L132 HydrophobicContact CG1-CD2 4.28Å; V90-L132 HydrophobicContact CG1-CG 4.49Å; E93-L132 HydrophobicContact CB-CD1 4.1Å; E93-L132 HydrophobicContact CB-CD2 4.39Å; E93-L132 HydrophobicContact CG-CD1 3.68Å; E93-L132 HydrophobicContact CG-CD2 4.37Å; E93-L132 VanDerWaalsContact OE1-CD1 3.26Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.37Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.24Å; Y94-L132 HydrophobicContact CD2-CD2 4.21Å; Y94-L132 HydrophobicContact CG-CD2 4.45Å; Q128-L132 WeakPolarHBondContact O-CB 3.43Å; Q128-L132 WeakPolarHBondContact O-CD1 3.05Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.24Å; Q128-L132 PolarHBondContact O-N 3.26Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 PolarHBondContact O-N 2.75Å; L132-L135 PolarHBondContact O-N 3.04Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.06Å
133	K	97	Very high	94.1	Very high	160 Å²	160	81 Å²	81	70%	0.696	41%	0.409	S	S	*	.	H	α-helix	trans	-59.6	-41.9	175.2	-176.1	179.6	179.4	-178.4	0	111.7	T129 K130 V131 M137	T129-K133 VanDerWaalsContact O-CB 3.25Å; T129-K133 WeakPolarHBondContact O-CB 3.38Å; T129-K133 PolarHBondContact O-N 3.37Å; K130-K133 PolarHBondContact O-N 2.95Å; V131-K133 PolarHBondContact O-N 3.04Å; K133-M137 WeakPolarHBondContact O-CB 3.38Å; K133-M137 PolarHBondContact O-N 3.47Å
134	Q	96.1	Very high	93.8	Very high	66 Å²	66	82.2 Å²	82.2	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-43.1	177.4	-178.2	61.7	17.1	0	0	111.4	E116 K130 V131 L132 L136 M137 L138	E116-Q134 HydrophobicContact CG-CG 4.17Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.47Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 3.26Å; V131-Q134 WeakPolarHBondContact O-CB 3.23Å; V131-Q134 PolarHBondContact O-N 3.34Å; V131-Q134 VanDerWaalsContact O-N 3.11Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 PolarHBondContact O-N 2.75Å; Q134-L136 PolarHBondContact O-N 3.43Å; Q134-M137 VanDerWaalsContact NE2-CE 3.26Å; Q134-M137 PolarHBondContact O-N 3.4Å; Q134-M137 VanDerWaalsContact OE1-CE 3.29Å; Q134-L138 HydrophobicContact CG-CD1 4.39Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.42Å
135	L	95.2	Very high	93.7	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.005	41%	0.41	C	S	.	.	H	α-helix	trans	-61.2	-43.3	177	-66.1	172.1	0	0	0	112.2	Y94 T112 V113 E116 V131 L132 M137 L138 Q139	Y94-L135 HydrophobicContact CD2-CB 4.19Å; Y94-L135 HydrophobicContact CD2-CD1 3.8Å; Y94-L135 HydrophobicContact CE2-CB 3.69Å; Y94-L135 HydrophobicContact CE2-CD1 3.94Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.13Å; T112-L135 HydrophobicContact CG2-CD2 3.58Å; V113-L135 HydrophobicContact CB-CD1 4.49Å; V113-L135 HydrophobicContact CG2-CD1 3.68Å; V113-L135 HydrophobicContact CG2-CD2 4.18Å; E116-L135 HydrophobicContact CG-CD2 4.26Å; V131-L135 HydrophobicContact CG1-CD1 3.92Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.32Å; V131-L135 PolarHBondContact O-N 3.05Å; L132-L135 PolarHBondContact O-N 3.04Å; L135-M137 VanDerWaalsContact C-N 3.33Å; L135-L138 PolarHBondContact O-N 3.22Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 2.98Å
136	L	92.8	Very high	93.4	Very high	106 Å²	106	81.4 Å²	81.4	56%	0.555	42%	0.422	S	S	*	.	H	α-helix	trans	-65.1	-37.9	176.2	-69.2	172.8	0	0	0	112	L132 Q134 Q139 S140	L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.06Å; Q134-L136 PolarHBondContact O-N 3.43Å; L136-Q139 PolarHBondContact O-N 3.2Å; L136-S140 PolarHBondContact O-N 3.41Å
137	M	94.4	Very high	93.1	Very high	79 Å²	79	81 Å²	81	39%	0.389	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-45.7	175.3	-175.1	-82	-67.5	0	0	111.1	K133 Q134 L135 Q139 S140 L141	K133-M137 WeakPolarHBondContact O-CB 3.38Å; K133-M137 PolarHBondContact O-N 3.47Å; Q134-M137 VanDerWaalsContact NE2-CE 3.26Å; Q134-M137 PolarHBondContact O-N 3.4Å; Q134-M137 VanDerWaalsContact OE1-CE 3.29Å; L135-M137 VanDerWaalsContact C-N 3.33Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.31Å; M137-S140 PolarHBondContact O-N 3.13Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.03Å; M137-L141 HydrophobicContact SD-CD1 3.87Å; M137-L141 HydrophobicContact SD-CG 4.35Å
138	L	91.1	Very high	92.7	Very high	55 Å²	55	83.5 Å²	83.5	29%	0.288	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-41.5	177.2	-70.6	172.4	0	0	0	112	T112 Q134 L135 S140 L141	T112-L138 HydrophobicContact CG2-CD1 3.76Å; Q134-L138 HydrophobicContact CG-CD1 4.39Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.42Å; L135-L138 PolarHBondContact O-N 3.22Å; L138-S140 PolarHBondContact O-N 2.93Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.39Å; L138-L141 VanDerWaalsContact O-N 3.13Å
139	Q	86.1	Confident	92.3	Very high	63 Å²	63	85.9 Å²	85.9	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-29	175.5	-75.1	178.7	-26.9	0	0	113.6	Y94 L135 L136 M137 L141 E142	Y94-Q139 PolarHBondContact OH-NE2 3.47Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 2.98Å; L136-Q139 PolarHBondContact O-N 3.2Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.31Å; Q139-L141 PolarHBondContact O-N 3.08Å; Q139-E142 PolarHBondContact O-N 2.66Å
140	S	89.8	Confident	91.9	Very high	89 Å²	89	84 Å²	84	62%	0.622	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.9	178.1	75	0	0	0	0	113.9	L136 M137 L138	L136-S140 PolarHBondContact O-N 3.41Å; M137-S140 PolarHBondContact O-N 3.13Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.03Å; L138-S140 PolarHBondContact O-N 2.93Å
141	L	85.2	Confident	91.4	Very high	131 Å²	131	80.5 Å²	80.5	69%	0.686	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-12	176.2	-60.1	175.8	0	0	0	112.6	M137 L138 Q139	M137-L141 HydrophobicContact SD-CD1 3.87Å; M137-L141 HydrophobicContact SD-CG 4.35Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.39Å; L138-L141 VanDerWaalsContact O-N 3.13Å; Q139-L141 PolarHBondContact O-N 3.08Å
142	E	72.5	Confident	90.7	Very high	200 Å²	200	87.7 Å²	87.7	94%	0.935	44%	0.442	S	S	*	.			trans	-84.5	0	174.7	-62.4	-178.4	169.8	0	0	111.1	Q139	Q139-E142 PolarHBondContact O-N 2.66Å

Retrieved 142 of 142 residues in 181 ms (Link to these results)

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