A0A096NXG5_PAPAN Loading...

AP complex subunit sigma

Component of the adaptor protein complex 4 (AP-4). Adaptor protein complexes are vesicle coat components involved both in vesicle formation and cargo selection. They control the vesicular transport of proteins in different trafficking pathways. AP-4 forms a non clathrin-associated coat on vesicles departing the trans-Golgi network (TGN) and may be involved in the targeting of proteins from the trans-Golgi network (TGN) to the endosomal-lysosomal system. It is also involved in protein sorting to the basolateral membrane in epithelial cells and the proper asymmetric localization of somatodendritic proteins in neurons. AP-4 is involved in the recognition and binding of tyrosine-based sorting signals found in the cytoplasmic part of cargos, but may also recognize other types of sorting signal.

AlphaFold DB (Q9Y587), UniProt , Accession A0A096NXG5, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 144 aa.

						>A0A096NXG5_PAPAN|A0A096NXG5
MIKFFLMVNKQGQTRLSKYYEHVDINKRTLLETEVIKSCLSRSNEQCSFIEYKDFKLIYRQYAALFIVVGVNDTENEMAIYEFIHNFVEVLDEYFSRVSELDIMFNLDKVHIILDEMVLNGCIVETNRARILAPLLILDKMSES
					

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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	94.1	Very high	95.8	Very high	62 Å²	62	34.6 Å²	34.6	31%	0.305	16%	0.159	S	C	.	.				0	140.6	0	-164.4	172.7	66.2	0	0	110.7	E21 V71 N72 E75 G121	M1-E21 HydrophobicContact CE-CG 4.01Å; M1-E21 WeakPolarHBondContact CE-OE1 3.15Å; M1-V71 WeakPolarHBondContact O-CA 3.43Å; M1-N72 PolarHBondContact N-ND2 2.94Å; M1-N72 PolarHBondContact N-OD1 3.27Å; M1-N72 PolarHBondContact O-N 3.37Å; M1-N72 PolarHBondContact O-OD1 2.97Å; M1-E75 VanDerWaalsContact CA-OE1 3.28Å; M1-E75 WeakPolarHBondContact CA-OE1 3.47Å; M1-E75 VanDerWaalsContact N-CG 3.27Å; M1-E75 PolarHBondContact N-OE1 2.79Å; M1-G121 WeakPolarHBondContact CG-O 3.37Å
2	I	97.6	Very high	95.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.6	170.3	-59.6	169.8	0	0	0	108.9	Y20 V69 V71 I80 V118 G121 I123	I2-Y20 HydrophobicContact CB-CD2 4.25Å; I2-Y20 HydrophobicContact CB-CE2 4.42Å; I2-Y20 HydrophobicContact CG2-CD2 3.77Å; I2-Y20 HydrophobicContact CG2-CE2 3.74Å; I2-Y20 WeakPolarHBondContact O-CB 3.12Å; I2-V69 HydrophobicContact CG1-CG1 4.24Å; I2-V69 HydrophobicContact CG2-CG1 3.66Å; I2-V71 HydrophobicContact CG1-CG1 4.06Å; I2-I80 HydrophobicContact CD1-CD1 4.28Å; I2-I80 HydrophobicContact CG1-CD1 4.12Å; I2-V118 HydrophobicContact CD1-CG1 4.04Å; I2-V118 HydrophobicContact CD1-CG2 4.27Å; I2-G121 WeakPolarHBondContact CB-O 3.36Å; I2-G121 PolarHBondContact N-O 3.08Å; I2-G121 VanDerWaalsContact O-CA 3.29Å; I2-G121 WeakPolarHBondContact O-CA 3.47Å; I2-I123 HydrophobicContact CD1-CG1 4.07Å
3	K	96.6	Very high	95.3	Very high	27 Å²	27	37.9 Å²	37.9	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-44.4	175.6	-63.7	-168.2	168.3	-173.4	0	111.4	Y20 E21 D54 F55 G70	K3-Y20 PolarHBondContact O-N 3.36Å; K3-E21 WeakPolarHBondContact CD-OE2 3.39Å; K3-E21 WeakPolarHBondContact CG-OE2 3.47Å; K3-D54 IonicContact NZ-OD2 2.79Å; K3-D54 PolarHBondContact NZ-OD2 2.94Å; K3-F55 HydrophobicContact CD-CB 4.05Å; K3-F55 HydrophobicContact CD-CD1 4.18Å; K3-F55 HydrophobicContact CD-CG 4.03Å; K3-G70 PolarHBondContact N-O 3.49Å
4	F	97.3	Very high	95.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.4	178.7	59.9	-101.2	0	0	0	112.3	L6 K18 Y19 L31 V35 F55 L57 G70	F4-L6 HydrophobicContact CD2-CD1 3.94Å; F4-L6 HydrophobicContact CD2-CD2 4.46Å; F4-L6 HydrophobicContact CD2-CG 3.76Å; F4-L6 HydrophobicContact CE2-CD1 3.83Å; F4-L6 HydrophobicContact CE2-CG 4.13Å; F4-K18 CarbonylContact C-O 3.49Å; F4-K18 WeakPolarHBondContact CA-O 3.45Å; F4-K18 WeakPolarHBondContact CB-O 3.29Å; F4-Y19 HydrophobicContact CB-CD1 3.73Å; F4-Y19 HydrophobicContact CB-CD2 4.24Å; F4-Y19 HydrophobicContact CB-CE1 3.74Å; F4-Y19 HydrophobicContact CB-CE2 4.23Å; F4-Y19 HydrophobicContact CB-CG 3.99Å; F4-Y19 HydrophobicContact CD1-CE1 4.01Å; F4-Y19 HydrophobicContact CG-CD1 4.47Å; F4-Y19 HydrophobicContact CG-CE1 4.04Å; F4-L31 HydrophobicContact CD1-CD2 4.15Å; F4-L31 HydrophobicContact CE1-CD2 3.84Å; F4-V35 HydrophobicContact CE2-CG1 4.35Å; F4-V35 HydrophobicContact CZ-CG1 4.38Å; F4-V35 HydrophobicContact CZ-CG2 4.17Å; F4-F55 HydrophobicContact CE1-CD2 4.5Å; F4-F55 AromaticContact CE1-CE2 3.54Å; F4-F55 HydrophobicContact CE1-CE2 3.54Å; F4-F55 AromaticContact CE1-CZ 3.68Å; F4-F55 HydrophobicContact CE1-CZ 3.68Å; F4-F55 AromaticContact CZ-CE2 3.7Å; F4-F55 HydrophobicContact CZ-CE2 3.7Å; F4-F55 HydrophobicContact CZ-CZ 4.09Å; F4-L57 HydrophobicContact CE2-CD2 4.26Å; F4-L57 HydrophobicContact CZ-CD2 3.74Å; F4-G70 PolarHBondContact N-O 3.16Å; F4-G70 PolarHBondContact O-N 3.3Å
5	F	97.9	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.5	175.6	-167.8	-74	0	0	0	109.1	L16 K18 Y20 I67 V69 F83 F87 L114	F5-L16 HydrophobicContact CD1-CD2 4.23Å; F5-L16 HydrophobicContact CE1-CD2 4.26Å; F5-K18 HydrophobicContact CB-CB 4.49Å; F5-K18 PolarHBondContact N-O 3.12Å; F5-K18 PolarHBondContact O-N 2.93Å; F5-Y20 HydrophobicContact CB-CE2 4.49Å; F5-I67 HydrophobicContact CD1-CG2 4.5Å; F5-I67 HydrophobicContact CE1-CG2 3.66Å; F5-I67 HydrophobicContact CE2-CG2 3.96Å; F5-I67 HydrophobicContact CZ-CG2 3.34Å; F5-V69 HydrophobicContact CD2-CG1 4.44Å; F5-V69 HydrophobicContact CD2-CG2 3.49Å; F5-V69 VanDerWaalsContact CD2-CG2 3.49Å; F5-V69 HydrophobicContact CE2-CG2 3.64Å; F5-V69 HydrophobicContact CG-CG2 4.25Å; F5-F83 HydrophobicContact CD2-CE1 4.36Å; F5-F83 AromaticContact CE2-CE1 3.94Å; F5-F83 HydrophobicContact CE2-CE1 3.94Å; F5-F87 HydrophobicContact CE1-CD1 4.21Å; F5-F87 AromaticContact CE1-CE1 3.91Å; F5-F87 HydrophobicContact CE1-CE1 3.91Å; F5-F87 HydrophobicContact CE1-CZ 4.31Å; F5-F87 AromaticContact CZ-CD1 3.67Å; F5-F87 HydrophobicContact CZ-CD1 3.67Å; F5-F87 AromaticContact CZ-CE1 3.86Å; F5-F87 HydrophobicContact CZ-CE1 3.86Å; F5-F87 HydrophobicContact CZ-CG 4.08Å; F5-F87 HydrophobicContact CZ-CZ 4.44Å; F5-L114 HydrophobicContact CB-CD2 4.2Å; F5-L114 HydrophobicContact CD1-CD1 4.35Å; F5-L114 HydrophobicContact CD1-CD2 3.96Å; F5-L114 HydrophobicContact CD2-CD1 4.07Å; F5-L114 HydrophobicContact CE1-CD1 4.47Å; F5-L114 HydrophobicContact CE2-CD1 4.2Å; F5-L114 HydrophobicContact CG-CD1 4.15Å; F5-L114 HydrophobicContact CG-CD2 4.1Å; F5-L114 HydrophobicContact CZ-CD1 4.38Å
6	L	97.6	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142	-178.6	-56.2	176.2	0	0	0	110.3	F4 L16 S17 Y19 E32 V35 I67 V68	F4-L6 HydrophobicContact CD2-CD1 3.94Å; F4-L6 HydrophobicContact CD2-CD2 4.46Å; F4-L6 HydrophobicContact CD2-CG 3.76Å; F4-L6 HydrophobicContact CE2-CD1 3.83Å; F4-L6 HydrophobicContact CE2-CG 4.13Å; L6-L16 WeakPolarHBondContact CA-O 3.33Å; L6-S17 WeakPolarHBondContact CD2-OG 3.28Å; L6-Y19 HydrophobicContact CD2-CE2 4.06Å; L6-E32 HydrophobicContact CD1-CG 4.03Å; L6-E32 HydrophobicContact CD2-CG 4.13Å; L6-V35 HydrophobicContact CD1-CG1 4.46Å; L6-I67 CarbonylContact O-C 3.53Å; L6-I67 WeakPolarHBondContact O-CA 3.14Å; L6-V68 HydrophobicContact CB-CB 4.4Å; L6-V68 PolarHBondContact N-O 3.43Å; L6-V68 PolarHBondContact O-N 2.82Å
7	M	97.5	Very high	95.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.7	165.5	-169	-171.5	-54.2	0	0	108.6	R15 L16 L65 F66 I67 F87 L91 I103	M7-R15 PolarHBondContact O-N 2.87Å; M7-L16 HydrophobicContact CB-CB 3.67Å; M7-L16 HydrophobicContact CE-CB 4.34Å; M7-L16 HydrophobicContact CE-CD2 4.07Å; M7-L16 PolarHBondContact N-O 3.4Å; M7-L16 PolarHBondContact O-N 3.43Å; M7-L65 HydrophobicContact CG-CD2 4.28Å; M7-L65 HydrophobicContact SD-CD1 4Å; M7-L65 HydrophobicContact SD-CD2 4.42Å; M7-F66 WeakPolarHBondContact CA-O 3.44Å; M7-I67 HydrophobicContact CG-CG1 4.13Å; M7-F87 HydrophobicContact CE-CE1 3.64Å; M7-F87 HydrophobicContact CE-CZ 4.1Å; M7-L91 HydrophobicContact CE-CD1 4.31Å; M7-I103 HydrophobicContact CE-CD1 4.24Å; M7-I103 HydrophobicContact CE-CG2 4.4Å; M7-I103 HydrophobicContact SD-CD1 3.7Å; M7-I103 HydrophobicContact SD-CG2 3.87Å
8	V	96.9	Very high	95.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145	-171.5	-78.4	0	0	0	0	110.3	Q13 T14 I36 F66 V68	V8-Q13 WeakPolarHBondContact CA-O 3.48Å; V8-T14 HydrophobicContact CG1-CG2 4.34Å; V8-I36 HydrophobicContact CB-CD1 4.42Å; V8-I36 HydrophobicContact CB-CG1 4.41Å; V8-I36 HydrophobicContact CG1-CD1 3.42Å; V8-I36 VanDerWaalsContact CG1-CD1 3.42Å; V8-I36 HydrophobicContact CG1-CG1 3.77Å; V8-I36 HydrophobicContact CG2-CG1 4.21Å; V8-F66 HydrophobicContact CG2-CB 3.95Å; V8-F66 WeakPolarHBondContact CG2-O 3.5Å; V8-F66 PolarHBondContact N-O 3.23Å; V8-F66 PolarHBondContact O-N 3Å; V8-V68 HydrophobicContact CG2-CG2 4.28Å
9	N	94.3	Very high	95.5	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	174.1	175.8	74.8	4.7	0	0	0	111.9	Q11 G12 Q13 R15 A64 L65 E100	N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 VanDerWaalsContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CA 3.48Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.41Å; N9-Q11 PolarHBondContact OD1-N 3.01Å; N9-G12 PolarHBondContact O-N 3.12Å; N9-G12 PolarHBondContact OD1-N 3.14Å; N9-G12 VanDerWaalsContact OD1-N 3.14Å; N9-Q13 PolarHBondContact N-O 2.87Å; N9-Q13 PolarHBondContact ND2-OE1 3.29Å; N9-Q13 VanDerWaalsContact ND2-OE1 3.08Å; N9-Q13 WeakPolarHBondContact OD1-CB 3.48Å; N9-Q13 PolarHBondContact OD1-N 3.28Å; N9-R15 PolarHBondContact ND2-NH2 3.41Å; N9-A64 CarbonylContact C-O 3.56Å; N9-A64 WeakPolarHBondContact CA-O 3.23Å; N9-L65 HydrophobicContact CB-CD2 4.35Å; N9-E100 WeakPolarHBondContact CB-OE1 3.36Å
10	K	91.2	Very high	95.5	Very high	125 Å²	125	37.5 Å²	37.5	54%	0.543	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.7	175.3	-83.3	178.4	177.1	178.9	0	115.2	G12 A63 A64 F66	K10-G12 VanDerWaalsContact C-N 3.31Å; K10-A63 VanDerWaalsContact CE-O 3.31Å; K10-A63 WeakPolarHBondContact CE-O 3.48Å; K10-A64 HydrophobicContact CD-CB 4.4Å; K10-A64 PolarHBondContact N-O 2.97Å; K10-F66 HydrophobicContact CG-CE2 3.82Å
11	Q	92.6	Very high	95.4	Very high	153 Å²	153	39.1 Å²	39.1	72%	0.715	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.3	177.8	-59	173.9	0.5	0	0	112.2	N9 Q13	N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 VanDerWaalsContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CA 3.48Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.41Å; N9-Q11 PolarHBondContact OD1-N 3.01Å; Q11-Q13 HydrophobicContact CB-CG 4.32Å
12	G	91.8	Very high	95.2	Very high	24 Å²	24	44.6 Å²	44.6	25%	0.247	21%	0.212	C	C	.	.			trans	80.2	14	-175.9	0	0	0	0	0	114.3	N9 K10	N9-G12 PolarHBondContact O-N 3.12Å; N9-G12 PolarHBondContact OD1-N 3.14Å; N9-G12 VanDerWaalsContact OD1-N 3.14Å; K10-G12 VanDerWaalsContact C-N 3.31Å
13	Q	93.7	Very high	94.8	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.411	23%	0.226	S	C	.	.			trans	-81.8	125.1	175.1	-59	176.6	-26.5	0	0	110.1	V8 N9 Q11	V8-Q13 WeakPolarHBondContact CA-O 3.48Å; N9-Q13 PolarHBondContact N-O 2.87Å; N9-Q13 PolarHBondContact ND2-OE1 3.29Å; N9-Q13 VanDerWaalsContact ND2-OE1 3.08Å; N9-Q13 WeakPolarHBondContact OD1-CB 3.48Å; N9-Q13 PolarHBondContact OD1-N 3.28Å; Q11-Q13 HydrophobicContact CB-CG 4.32Å
14	T	94.8	Very high	94.5	Very high	50 Å²	50	49.3 Å²	49.3	31%	0.307	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.3	175.7	-52.3	0	0	0	0	110.9	V8 L16 E32	V8-T14 HydrophobicContact CG1-CG2 4.34Å; T14-L16 WeakPolarHBondContact CG2-O 3.46Å; T14-E32 PolarHBondContact OG1-OE2 2.85Å; T14-E32 VanDerWaalsContact OG1-OE2 3.07Å
15	R	95.1	Very high	94.2	Very high	51 Å²	51	55.3 Å²	55.3	19%	0.192	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-39.7	174.2	-57.7	-50	-169.3	-165.4	4.6	112	M7 N9 L65 E100 M104 L107	M7-R15 PolarHBondContact O-N 2.87Å; N9-R15 PolarHBondContact ND2-NH2 3.41Å; R15-L65 HydrophobicContact CG-CD2 4.21Å; R15-E100 IonicContact CZ-OE1 3.2Å; R15-E100 IonicContact NE-OE1 2.71Å; R15-E100 PolarHBondContact NE-OE1 3.24Å; R15-E100 IonicContact NH2-OE1 3.55Å; R15-E100 PolarHBondContact NH2-OE1 3.48Å; R15-M104 PolarHBondContact NE-SD 3.45Å; R15-M104 VanDerWaalsContact NE-SD 3.45Å; R15-L107 WeakPolarHBondContact O-CD2 3.5Å
16	L	96.2	Very high	93.8	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.9	177.2	-171.3	75	0	0	0	108.9	F5 L6 M7 T14 F87 V110 H111 L114	F5-L16 HydrophobicContact CD1-CD2 4.23Å; F5-L16 HydrophobicContact CE1-CD2 4.26Å; L6-L16 WeakPolarHBondContact CA-O 3.33Å; M7-L16 HydrophobicContact CB-CB 3.67Å; M7-L16 HydrophobicContact CE-CB 4.34Å; M7-L16 HydrophobicContact CE-CD2 4.07Å; M7-L16 PolarHBondContact N-O 3.4Å; M7-L16 PolarHBondContact O-N 3.43Å; T14-L16 WeakPolarHBondContact CG2-O 3.46Å; L16-F87 HydrophobicContact CD2-CZ 4.17Å; L16-V110 HydrophobicContact CD1-CG1 4Å; L16-V110 HydrophobicContact CD2-CG1 3.89Å; L16-H111 WeakPolarHBondContact CD1-CE1 3.41Å; L16-H111 WeakPolarHBondContact CD1-NE2 3.3Å; L16-L114 HydrophobicContact CD2-CD2 3.92Å
17	S	95.9	Very high	93.5	Very high	22 Å²	22	67.4 Å²	67.4	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	112.3	177.1	-175.9	0	0	0	0	111.7	L6 Y19 R28 E32	L6-S17 WeakPolarHBondContact CD2-OG 3.28Å; S17-Y19 VanDerWaalsContact OG-CE2 3.29Å; S17-Y19 WeakPolarHBondContact OG-CE2 3.47Å; S17-R28 VanDerWaalsContact CB-NH2 3.3Å; S17-R28 PolarHBondContact O-NH2 2.85Å; S17-R28 VanDerWaalsContact O-NH2 3.1Å; S17-R28 PolarHBondContact OG-NH2 2.81Å; S17-E32 PolarHBondContact OG-OE1 3.38Å
18	K	96.8	Very high	93.3	Very high	54 Å²	54	70.9 Å²	70.9	24%	0.235	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.6	179.5	-172.9	75.6	171.8	-153.8	0	109.5	F4 F5 Y20 L114 D115	F4-K18 CarbonylContact C-O 3.49Å; F4-K18 WeakPolarHBondContact CA-O 3.45Å; F4-K18 WeakPolarHBondContact CB-O 3.29Å; F5-K18 HydrophobicContact CB-CB 4.49Å; F5-K18 PolarHBondContact N-O 3.12Å; F5-K18 PolarHBondContact O-N 2.93Å; K18-Y20 HydrophobicContact CG-CE1 4Å; K18-Y20 HydrophobicContact CG-CE2 4.18Å; K18-L114 HydrophobicContact CB-CD2 3.8Å; K18-L114 HydrophobicContact CG-CD2 4.17Å; K18-D115 WeakPolarHBondContact CE-OD1 3.46Å; K18-D115 IonicContact NZ-OD1 3.97Å; K18-D115 PolarHBondContact NZ-OD1 3.16Å; K18-D115 IonicContact NZ-OD2 3.58Å; K18-D115 PolarHBondContact NZ-OD2 3.12Å
19	Y	96.8	Very high	93.1	Very high	35 Å²	35	75 Å²	75	14%	0.137	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.4	177.8	-78	-105.8	0	0	0	108.8	F4 L6 S17 V23 R28 L31 E32	F4-Y19 HydrophobicContact CB-CD1 3.73Å; F4-Y19 HydrophobicContact CB-CD2 4.24Å; F4-Y19 HydrophobicContact CB-CE1 3.74Å; F4-Y19 HydrophobicContact CB-CE2 4.23Å; F4-Y19 HydrophobicContact CB-CG 3.99Å; F4-Y19 HydrophobicContact CD1-CE1 4.01Å; F4-Y19 HydrophobicContact CG-CD1 4.47Å; F4-Y19 HydrophobicContact CG-CE1 4.04Å; L6-Y19 HydrophobicContact CD2-CE2 4.06Å; S17-Y19 VanDerWaalsContact OG-CE2 3.29Å; S17-Y19 WeakPolarHBondContact OG-CE2 3.47Å; Y19-V23 HydrophobicContact CD1-CB 4.34Å; Y19-V23 HydrophobicContact CD1-CG2 3.98Å; Y19-V23 HydrophobicContact CE1-CG2 4.31Å; Y19-R28 HydrophobicContact CD2-CG 4.46Å; Y19-R28 VanDerWaalsContact CD2-NE 3.3Å; Y19-R28 HydrophobicContact CE1-CG 4.15Å; Y19-R28 HydrophobicContact CE2-CG 3.74Å; Y19-R28 VanDerWaalsContact CE2-CZ 3.41Å; Y19-L31 HydrophobicContact CE1-CD2 3.99Å; Y19-E32 WeakPolarHBondContact OH-CG 3.3Å; Y19-E32 PolarHBondContact OH-OE1 2.81Å
20	Y	96.2	Very high	93.1	Very high	42 Å²	42	80.3 Å²	80.3	17%	0.165	40%	0.396	C	S	.	.	S	Bend	trans	-102.5	-13.7	178.2	-59	-76.2	0	0	0	112.4	I2 K3 F5 K18 V118	I2-Y20 HydrophobicContact CB-CD2 4.25Å; I2-Y20 HydrophobicContact CB-CE2 4.42Å; I2-Y20 HydrophobicContact CG2-CD2 3.77Å; I2-Y20 HydrophobicContact CG2-CE2 3.74Å; I2-Y20 WeakPolarHBondContact O-CB 3.12Å; K3-Y20 PolarHBondContact O-N 3.36Å; F5-Y20 HydrophobicContact CB-CE2 4.49Å; K18-Y20 HydrophobicContact CG-CE1 4Å; K18-Y20 HydrophobicContact CG-CE2 4.18Å; Y20-V118 HydrophobicContact CD1-CG1 4.46Å; Y20-V118 HydrophobicContact CE1-CB 4.3Å; Y20-V118 HydrophobicContact CE1-CG1 3.7Å; Y20-V118 HydrophobicContact CE2-CG1 3.84Å; Y20-V118 VanDerWaalsContact OH-CB 3.32Å; Y20-V118 WeakPolarHBondContact OH-CB 3.5Å; Y20-V118 WeakPolarHBondContact OH-CG1 3.33Å
21	E	91.9	Very high	93.2	Very high	72 Å²	72	75.7 Å²	75.7	34%	0.336	38%	0.377	S	S	.	.	S	Bend	trans	-110.6	147.5	169.3	-66.2	-178.9	166.1	0	0	109.9	M1 K3 V23	M1-E21 HydrophobicContact CE-CG 4.01Å; M1-E21 WeakPolarHBondContact CE-OE1 3.15Å; K3-E21 WeakPolarHBondContact CD-OE2 3.39Å; K3-E21 WeakPolarHBondContact CG-OE2 3.47Å; E21-V23 PolarHBondContact O-N 2.84Å
22	H	90.3	Very high	93.4	Very high	177 Å²	177	69.6 Å²	69.6	82%	0.819	35%	0.349	S	S	*	.			trans	-69.2	122.1	176.7	-175.8	72.8	0	0	0	110.4
23	V	89.4	Confident	93.5	Very high	48 Å²	48	72.7 Å²	72.7	29%	0.291	36%	0.363	S	S	.	.			trans	-132.2	129.5	175.4	-177.2	0	0	0	0	108.5	Y19 E21 K27 R28	Y19-V23 HydrophobicContact CD1-CB 4.34Å; Y19-V23 HydrophobicContact CD1-CG2 3.98Å; Y19-V23 HydrophobicContact CE1-CG2 4.31Å; E21-V23 PolarHBondContact O-N 2.84Å; V23-K27 HydrophobicContact CG1-CB 3.87Å; V23-R28 HydrophobicContact CG1-CB 4.25Å
24	D	90.9	Very high	93.6	Very high	79 Å²	79	72.9 Å²	72.9	42%	0.422	36%	0.364	S	S	.	.			trans	-54.8	140.1	174.8	-64.3	-55.5	0	0	0	110.9	N26 K27 R28	D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 3.48Å; D24-N26 VanDerWaalsContact O-N 3.16Å; D24-K27 HydrophobicContact CB-CB 4.32Å; D24-K27 HydrophobicContact CB-CD 4.16Å; D24-K27 HydrophobicContact CB-CG 4.22Å; D24-K27 WeakPolarHBondContact O-CA 3.19Å; D24-K27 WeakPolarHBondContact O-CB 3.15Å; D24-K27 PolarHBondContact O-N 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.49Å; D24-K27 IonicContact OD2-NZ 3.18Å; D24-K27 PolarHBondContact OD2-NZ 3.01Å; D24-R28 PolarHBondContact O-N 2.62Å
25	I	89.5	Confident	93.6	Very high	131 Å²	131	70.5 Å²	70.5	67%	0.672	35%	0.349	S	S	*	.	H	α-helix	trans	-57	-38.4	-174.3	-160.3	159	0	0	0	113.2	K27 R28 T29	I25-K27 PolarHBondContact O-N 3.21Å; I25-R28 WeakPolarHBondContact O-CB 3.29Å; I25-R28 PolarHBondContact O-N 3.08Å; I25-T29 PolarHBondContact O-N 3.43Å; I25-T29 VanDerWaalsContact O-N 3.14Å; I25-T29 PolarHBondContact O-OG1 2.69Å
26	N	90.5	Very high	93.6	Very high	127 Å²	127	68.6 Å²	68.6	68%	0.679	34%	0.343	S	S	*	.	H	α-helix	trans	-66.2	-39.3	177.2	-65.7	-22.3	0	0	0	111.9	D24 R28 L30	D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 3.48Å; D24-N26 VanDerWaalsContact O-N 3.16Å; N26-R28 VanDerWaalsContact C-N 3.35Å; N26-L30 WeakPolarHBondContact O-CG 3.44Å; N26-L30 PolarHBondContact O-N 2.81Å
27	K	91.9	Very high	93.5	Very high	127 Å²	127	75.9 Å²	75.9	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-70.3	-35.5	176.4	-68.5	178	-174.5	150.6	0	110.9	V23 D24 I25 L30 L31	V23-K27 HydrophobicContact CG1-CB 3.87Å; D24-K27 HydrophobicContact CB-CB 4.32Å; D24-K27 HydrophobicContact CB-CD 4.16Å; D24-K27 HydrophobicContact CB-CG 4.22Å; D24-K27 WeakPolarHBondContact O-CA 3.19Å; D24-K27 WeakPolarHBondContact O-CB 3.15Å; D24-K27 PolarHBondContact O-N 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.49Å; D24-K27 IonicContact OD2-NZ 3.18Å; D24-K27 PolarHBondContact OD2-NZ 3.01Å; I25-K27 PolarHBondContact O-N 3.21Å; K27-L30 PolarHBondContact O-N 3.47Å; K27-L31 VanDerWaalsContact O-CB 3.23Å; K27-L31 WeakPolarHBondContact O-CB 3.44Å; K27-L31 PolarHBondContact O-N 3.1Å
28	R	93.2	Very high	93.4	Very high	75 Å²	75	76.2 Å²	76.2	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-49	176.5	-179.6	173.7	174.4	170.7	4.3	111.7	S17 Y19 V23 D24 I25 N26 L30 L31 E32	S17-R28 VanDerWaalsContact CB-NH2 3.3Å; S17-R28 PolarHBondContact O-NH2 2.85Å; S17-R28 VanDerWaalsContact O-NH2 3.1Å; S17-R28 PolarHBondContact OG-NH2 2.81Å; Y19-R28 HydrophobicContact CD2-CG 4.46Å; Y19-R28 VanDerWaalsContact CD2-NE 3.3Å; Y19-R28 HydrophobicContact CE1-CG 4.15Å; Y19-R28 HydrophobicContact CE2-CG 3.74Å; Y19-R28 VanDerWaalsContact CE2-CZ 3.41Å; V23-R28 HydrophobicContact CG1-CB 4.25Å; D24-R28 PolarHBondContact O-N 2.62Å; I25-R28 WeakPolarHBondContact O-CB 3.29Å; I25-R28 PolarHBondContact O-N 3.08Å; N26-R28 VanDerWaalsContact C-N 3.35Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.86Å; R28-L31 WeakPolarHBondContact O-CB 3.45Å; R28-L31 PolarHBondContact O-N 2.73Å; R28-E32 HydrophobicContact CG-CG 4.42Å; R28-E32 IonicContact NE-OE1 3.43Å; R28-E32 PolarHBondContact NE-OE1 3.05Å; R28-E32 IonicContact NH2-OE1 3.01Å; R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 2.76Å
29	T	92.2	Very high	93.3	Very high	87 Å²	87	73.7 Å²	73.7	53%	0.534	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-41.7	179.2	-53.4	0	0	0	0	112.4	I25 T33	I25-T29 PolarHBondContact O-N 3.43Å; I25-T29 VanDerWaalsContact O-N 3.14Å; I25-T29 PolarHBondContact O-OG1 2.69Å; T29-T33 WeakPolarHBondContact O-CB 3.25Å; T29-T33 PolarHBondContact O-N 3.38Å; T29-T33 VanDerWaalsContact O-N 3.08Å; T29-T33 PolarHBondContact O-OG1 2.88Å
30	L	93.9	Very high	93.1	Very high	118 Å²	118	74.5 Å²	74.5	62%	0.618	37%	0.373	S	S	*	.	H	α-helix	trans	-64.9	-44.5	176.1	-69.1	170.6	0	0	0	111.5	N26 K27 R28 T33 E34	N26-L30 WeakPolarHBondContact O-CG 3.44Å; N26-L30 PolarHBondContact O-N 2.81Å; K27-L30 PolarHBondContact O-N 3.47Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.86Å; L30-T33 PolarHBondContact O-N 3.37Å; L30-E34 PolarHBondContact O-N 3.46Å
31	L	94.4	Very high	92.9	Very high	27 Å²	27	77 Å²	77	14%	0.141	40%	0.396	C	S	.	.	H	α-helix	trans	-60.3	-51.9	177.7	-174	74.7	0	0	0	111.6	F4 Y19 K27 R28 T33 E34 V35 Y52 F55	F4-L31 HydrophobicContact CD1-CD2 4.15Å; F4-L31 HydrophobicContact CE1-CD2 3.84Å; Y19-L31 HydrophobicContact CE1-CD2 3.99Å; K27-L31 VanDerWaalsContact O-CB 3.23Å; K27-L31 WeakPolarHBondContact O-CB 3.44Å; K27-L31 PolarHBondContact O-N 3.1Å; R28-L31 WeakPolarHBondContact O-CB 3.45Å; R28-L31 PolarHBondContact O-N 2.73Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.08Å; L31-E34 PolarHBondContact O-N 3.2Å; L31-V35 HydrophobicContact CD1-CG2 4.3Å; L31-V35 HydrophobicContact CG-CG2 4.28Å; L31-V35 WeakPolarHBondContact O-CB 3.45Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.43Å; L31-Y52 HydrophobicContact CD1-CE1 3.71Å; L31-F55 HydrophobicContact CD1-CE1 4.5Å; L31-F55 HydrophobicContact CD1-CZ 4.1Å
32	E	95.3	Very high	93	Very high	26 Å²	26	76.7 Å²	76.7	12%	0.121	39%	0.392	C	S	.	.	H	α-helix	trans	-56.4	-46.7	177.8	-71.5	-170.3	-166.4	0	0	110.1	L6 T14 S17 Y19 R28 E34 V35 I36	L6-E32 HydrophobicContact CD1-CG 4.03Å; L6-E32 HydrophobicContact CD2-CG 4.13Å; T14-E32 PolarHBondContact OG1-OE2 2.85Å; T14-E32 VanDerWaalsContact OG1-OE2 3.07Å; S17-E32 PolarHBondContact OG-OE1 3.38Å; Y19-E32 WeakPolarHBondContact OH-CG 3.3Å; Y19-E32 PolarHBondContact OH-OE1 2.81Å; R28-E32 HydrophobicContact CG-CG 4.42Å; R28-E32 IonicContact NE-OE1 3.43Å; R28-E32 PolarHBondContact NE-OE1 3.05Å; R28-E32 IonicContact NH2-OE1 3.01Å; R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 2.76Å; E32-E34 PolarHBondContact O-N 2.91Å; E32-V35 PolarHBondContact O-N 3.28Å; E32-I36 HydrophobicContact CB-CD1 4.1Å; E32-I36 WeakPolarHBondContact O-CB 3.31Å; E32-I36 VanDerWaalsContact O-CD1 3.27Å; E32-I36 WeakPolarHBondContact O-CD1 3.35Å; E32-I36 WeakPolarHBondContact O-CG1 3.27Å; E32-I36 PolarHBondContact O-N 2.57Å
33	T	94.3	Very high	93.1	Very high	89 Å²	89	70.9 Å²	70.9	55%	0.546	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-46.1	179.8	-55.5	0	0	0	0	112.5	T29 L30 L31 K37	T29-T33 WeakPolarHBondContact O-CB 3.25Å; T29-T33 PolarHBondContact O-N 3.38Å; T29-T33 VanDerWaalsContact O-N 3.08Å; T29-T33 PolarHBondContact O-OG1 2.88Å; L30-T33 PolarHBondContact O-N 3.37Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.08Å; T33-K37 VanDerWaalsContact O-CB 3.24Å; T33-K37 WeakPolarHBondContact O-CB 3.35Å; T33-K37 PolarHBondContact O-N 3.42Å; T33-K37 VanDerWaalsContact O-N 3.09Å
34	E	95.2	Very high	93	Very high	91 Å²	91	75.6 Å²	75.6	43%	0.425	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-47.4	178.9	-75	-175.7	179	0	0	112.1	L30 L31 E32 K37 S38 Y52 K53	L30-E34 PolarHBondContact O-N 3.46Å; L31-E34 PolarHBondContact O-N 3.2Å; E32-E34 PolarHBondContact O-N 2.91Å; E34-K37 PolarHBondContact O-N 2.91Å; E34-S38 WeakPolarHBondContact O-CB 3.26Å; E34-S38 PolarHBondContact O-N 2.85Å; E34-Y52 HydrophobicContact CB-CE2 4.34Å; E34-Y52 PolarHBondContact OE2-OH 3.07Å; E34-K53 IonicContact OE2-NZ 2.82Å; E34-K53 PolarHBondContact OE2-NZ 2.85Å
35	V	95.7	Very high	93.1	Very high	0 Å²	0	81 Å²	81	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-62.9	-50.4	-179	167.6	0	0	0	0	110.5	F4 L6 L31 E32 K37 S38 C39 Y52 L57 V68	F4-V35 HydrophobicContact CE2-CG1 4.35Å; F4-V35 HydrophobicContact CZ-CG1 4.38Å; F4-V35 HydrophobicContact CZ-CG2 4.17Å; L6-V35 HydrophobicContact CD1-CG1 4.46Å; L31-V35 HydrophobicContact CD1-CG2 4.3Å; L31-V35 HydrophobicContact CG-CG2 4.28Å; L31-V35 WeakPolarHBondContact O-CB 3.45Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.43Å; E32-V35 PolarHBondContact O-N 3.28Å; V35-K37 VanDerWaalsContact C-N 3.34Å; V35-K37 PolarHBondContact O-N 3.01Å; V35-S38 PolarHBondContact O-N 2.78Å; V35-S38 VanDerWaalsContact O-N 3.13Å; V35-S38 PolarHBondContact O-OG 2.67Å; V35-C39 PolarHBondContact O-N 3.39Å; V35-C39 PolarHBondContact O-SG 3.41Å; V35-Y52 HydrophobicContact CG2-CE1 4.22Å; V35-Y52 HydrophobicContact CG2-CE2 4.44Å; V35-L57 HydrophobicContact CB-CD1 4.41Å; V35-L57 HydrophobicContact CB-CD2 4.49Å; V35-L57 HydrophobicContact CG1-CD1 3.95Å; V35-L57 HydrophobicContact CG1-CD2 3.7Å; V35-L57 HydrophobicContact CG1-CG 4.45Å; V35-L57 HydrophobicContact CG2-CD1 4.14Å; V35-L57 HydrophobicContact CG2-CD2 3.97Å; V35-V68 HydrophobicContact CG1-CG1 3.6Å
36	I	95.1	Very high	93.4	Very high	11 Å²	11	78.8 Å²	78.8	6%	0.056	40%	0.404	C	S	.	.	H	α-helix	trans	-58.6	-46.9	179	-68.1	166.7	0	0	0	110.5	V8 E32 S38 C39 L40	V8-I36 HydrophobicContact CB-CD1 4.42Å; V8-I36 HydrophobicContact CB-CG1 4.41Å; V8-I36 HydrophobicContact CG1-CD1 3.42Å; V8-I36 VanDerWaalsContact CG1-CD1 3.42Å; V8-I36 HydrophobicContact CG1-CG1 3.77Å; V8-I36 HydrophobicContact CG2-CG1 4.21Å; E32-I36 HydrophobicContact CB-CD1 4.1Å; E32-I36 WeakPolarHBondContact O-CB 3.31Å; E32-I36 VanDerWaalsContact O-CD1 3.27Å; E32-I36 WeakPolarHBondContact O-CD1 3.35Å; E32-I36 WeakPolarHBondContact O-CG1 3.27Å; E32-I36 PolarHBondContact O-N 2.57Å; I36-S38 VanDerWaalsContact C-N 3.31Å; I36-S38 PolarHBondContact O-N 2.71Å; I36-C39 PolarHBondContact O-N 3.03Å; I36-L40 HydrophobicContact CG2-CD1 3.5Å; I36-L40 HydrophobicContact CG2-CG 4.11Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.87Å
37	K	94.7	Very high	93.6	Very high	155 Å²	155	76.1 Å²	76.1	67%	0.674	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-43.4	177.6	-174.8	179	179.4	-177.8	0	111.4	T33 E34 V35 C39 S41	T33-K37 VanDerWaalsContact O-CB 3.24Å; T33-K37 WeakPolarHBondContact O-CB 3.35Å; T33-K37 PolarHBondContact O-N 3.42Å; T33-K37 VanDerWaalsContact O-N 3.09Å; E34-K37 PolarHBondContact O-N 2.91Å; V35-K37 VanDerWaalsContact C-N 3.34Å; V35-K37 PolarHBondContact O-N 3.01Å; K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 2.89Å; K37-S41 WeakPolarHBondContact O-CB 3.32Å; K37-S41 PolarHBondContact O-N 2.95Å; K37-S41 PolarHBondContact O-OG 3.48Å; K37-S41 VanDerWaalsContact O-OG 3.07Å
38	S	93.8	Very high	93.8	Very high	29 Å²	29	71.1 Å²	71.1	20%	0.203	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-38.2	-179.9	78	0	0	0	0	112.8	E34 V35 I36 S41 R42	E34-S38 WeakPolarHBondContact O-CB 3.26Å; E34-S38 PolarHBondContact O-N 2.85Å; V35-S38 PolarHBondContact O-N 2.78Å; V35-S38 VanDerWaalsContact O-N 3.13Å; V35-S38 PolarHBondContact O-OG 2.67Å; I36-S38 VanDerWaalsContact C-N 3.31Å; I36-S38 PolarHBondContact O-N 2.71Å; S38-S41 PolarHBondContact O-OG 2.91Å; S38-R42 WeakPolarHBondContact O-CD 3.33Å; S38-R42 WeakPolarHBondContact O-CG 3.38Å
39	C	93.7	Very high	94	Very high	2 Å²	2	70 Å²	70	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-76.2	-45.5	178.1	-64.2	0	0	0	0	112	V35 I36 K37 S41 R42 Y59 V68	V35-C39 PolarHBondContact O-N 3.39Å; V35-C39 PolarHBondContact O-SG 3.41Å; I36-C39 PolarHBondContact O-N 3.03Å; K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 2.89Å; C39-S41 VanDerWaalsContact C-N 3.31Å; C39-S41 PolarHBondContact O-N 2.82Å; C39-R42 PolarHBondContact O-N 2.83Å; C39-Y59 HydrophobicContact CB-CD1 4.36Å; C39-Y59 HydrophobicContact CB-CD2 4.33Å; C39-Y59 HydrophobicContact CB-CG 4.11Å; C39-V68 HydrophobicContact CB-CG2 4.22Å
40	L	92.4	Very high	94.2	Very high	52 Å²	52	67.1 Å²	67.1	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-70	-24.3	-177.6	-70.5	178.8	0	0	0	113.6	I36 R42 F66	I36-L40 HydrophobicContact CG2-CD1 3.5Å; I36-L40 HydrophobicContact CG2-CG 4.11Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.87Å; L40-R42 PolarHBondContact O-N 2.8Å; L40-F66 HydrophobicContact CD2-CD1 4.14Å; L40-F66 HydrophobicContact CD2-CD2 3.54Å; L40-F66 HydrophobicContact CD2-CE1 4.11Å; L40-F66 HydrophobicContact CD2-CE2 3.53Å; L40-F66 HydrophobicContact CD2-CG 3.87Å; L40-F66 HydrophobicContact CD2-CZ 3.82Å
41	S	93.1	Very high	94.3	Very high	93 Å²	93	67.7 Å²	67.7	65%	0.65	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-7	177	64	0	0	0	0	114.3	K37 S38 C39	K37-S41 WeakPolarHBondContact O-CB 3.32Å; K37-S41 PolarHBondContact O-N 2.95Å; K37-S41 PolarHBondContact O-OG 3.48Å; K37-S41 VanDerWaalsContact O-OG 3.07Å; S38-S41 PolarHBondContact O-OG 2.91Å; C39-S41 VanDerWaalsContact C-N 3.31Å; C39-S41 PolarHBondContact O-N 2.82Å
42	R	93.9	Very high	94.3	Very high	66 Å²	66	67.7 Å²	67.7	25%	0.249	35%	0.352	C	S	.	.			trans	-88.6	147.3	-174.1	-69	175.1	75.5	86.8	-9.9	112.3	S38 C39 L40 Q46 C47 I50 Y59	S38-R42 WeakPolarHBondContact O-CD 3.33Å; S38-R42 WeakPolarHBondContact O-CG 3.38Å; C39-R42 PolarHBondContact O-N 2.83Å; L40-R42 PolarHBondContact O-N 2.8Å; R42-Q46 HydrophobicContact CB-CB 4.43Å; R42-C47 PolarHBondContact NE-O 2.89Å; R42-C47 PolarHBondContact NH2-O 2.69Å; R42-I50 VanDerWaalsContact CD-CD1 3.45Å; R42-Y59 WeakPolarHBondContact CB-OH 3.33Å; R42-Y59 WeakPolarHBondContact CD-OH 3.1Å; R42-Y59 PolarHBondContact NE-OH 3.17Å
43	S	92.2	Very high	94.1	Very high	55 Å²	55	73.6 Å²	73.6	39%	0.385	38%	0.377	S	S	.	.			trans	-82.2	162.5	172.6	77.2	0	0	0	0	111.6	E45 Q46	S43-E45 PolarHBondContact O-N 2.92Å; S43-E45 VanDerWaalsContact O-N 3.16Å; S43-Q46 WeakPolarHBondContact O-CB 3.44Å; S43-Q46 PolarHBondContact O-N 2.67Å; S43-Q46 VanDerWaalsContact O-N 3.12Å
44	N	87.8	Confident	94.1	Very high	148 Å²	148	74.2 Å²	74.2	79%	0.791	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13.8	178.7	-65.4	-9.9	0	0	0	113.8
45	E	92.4	Very high	94.1	Very high	191 Å²	191	70.3 Å²	70.3	89%	0.893	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.6	177.9	-63.5	170.2	-178.4	0	0	112	S43	S43-E45 PolarHBondContact O-N 2.92Å; S43-E45 VanDerWaalsContact O-N 3.16Å
46	Q	95.2	Very high	94.2	Very high	86 Å²	86	72 Å²	72	40%	0.402	37%	0.366	S	S	.	.	S	Bend	trans	-84.1	150.9	-179.3	-66.3	-176.7	-73.3	0	0	111.3	R42 S43	R42-Q46 HydrophobicContact CB-CB 4.43Å; S43-Q46 WeakPolarHBondContact O-CB 3.44Å; S43-Q46 PolarHBondContact O-N 2.67Å; S43-Q46 VanDerWaalsContact O-N 3.12Å
47	C	95.2	Very high	94.3	Very high	70 Å²	70	71.4 Å²	71.4	47%	0.473	36%	0.363	S	S	.	.			trans	-59.2	140.8	178.1	-173.3	0	0	0	0	111.5	R42 F49	R42-C47 PolarHBondContact NE-O 2.89Å; R42-C47 PolarHBondContact NH2-O 2.69Å; C47-F49 PolarHBondContact O-N 3.03Å; C47-F49 VanDerWaalsContact SG-CD2 3.55Å; C47-F49 PolarHBondContact SG-N 3.43Å; C47-F49 VanDerWaalsContact SG-N 3.4Å
48	S	96.6	Very high	94.5	Very high	23 Å²	23	64 Å²	64	16%	0.161	33%	0.331	C	S	.	.	S	Bend	trans	-71.4	-3.1	174.1	-82	0	0	0	0	114.4	I58 Y59 Y81	S48-I58 WeakPolarHBondContact O-CA 3.24Å; S48-Y59 WeakPolarHBondContact CB-O 3.44Å; S48-Y59 WeakPolarHBondContact O-CD1 3.42Å; S48-Y59 PolarHBondContact O-N 3.05Å; S48-Y59 PolarHBondContact OG-O 3.06Å; S48-Y81 VanDerWaalsContact CB-CE2 3.43Å; S48-Y81 WeakPolarHBondContact OG-CE2 3.37Å
49	F	97.2	Very high	94.6	Very high	52 Å²	52	63.3 Å²	63.3	23%	0.228	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.2	-180	-42.9	-36.4	0	0	0	109.3	C47 L57 I58 E77 M78 Y81	C47-F49 PolarHBondContact O-N 3.03Å; C47-F49 VanDerWaalsContact SG-CD2 3.55Å; C47-F49 PolarHBondContact SG-N 3.43Å; C47-F49 VanDerWaalsContact SG-N 3.4Å; F49-L57 CarbonylContact C-O 3.27Å; F49-L57 WeakPolarHBondContact CA-O 3.17Å; F49-I58 HydrophobicContact CD1-CB 4.3Å; F49-I58 HydrophobicContact CD1-CG1 3.81Å; F49-I58 HydrophobicContact CD1-CG2 3.96Å; F49-I58 HydrophobicContact CE1-CG1 4.29Å; F49-I58 HydrophobicContact CE1-CG2 3.9Å; F49-E77 HydrophobicContact CD1-CB 4.15Å; F49-E77 HydrophobicContact CD2-CB 3.94Å; F49-E77 HydrophobicContact CD2-CG 4.48Å; F49-E77 HydrophobicContact CE1-CB 4.19Å; F49-E77 HydrophobicContact CE2-CB 3.97Å; F49-E77 HydrophobicContact CG-CB 4.05Å; F49-E77 HydrophobicContact CG-CG 4.44Å; F49-E77 HydrophobicContact CZ-CB 4.1Å; F49-M78 HydrophobicContact CZ-SD 4.29Å; F49-Y81 AromaticContact CE1-CD2 3.88Å; F49-Y81 HydrophobicContact CE1-CD2 3.88Å; F49-Y81 HydrophobicContact CE1-CG 4.14Å
50	I	96.3	Very high	94.8	Very high	26 Å²	26	65.4 Å²	65.4	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.7	-178.2	-47.8	170.6	0	0	0	108.4	R42 Y52 K56 L57 Y59	R42-I50 VanDerWaalsContact CD-CD1 3.45Å; I50-Y52 PolarHBondContact O-N 3.4Å; I50-K56 WeakPolarHBondContact O-CA 3.43Å; I50-L57 HydrophobicContact CB-CB 4.15Å; I50-L57 HydrophobicContact CB-CD1 4.39Å; I50-L57 PolarHBondContact N-O 3.07Å; I50-L57 PolarHBondContact O-N 3.09Å; I50-Y59 HydrophobicContact CD1-CD1 3.96Å; I50-Y59 HydrophobicContact CD1-CE1 3.79Å; I50-Y59 HydrophobicContact CG1-CD1 4.32Å; I50-Y59 HydrophobicContact CG1-CE1 4.07Å
51	E	95.4	Very high	94.9	Very high	130 Å²	130	66.3 Å²	66.3	61%	0.607	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.1	167	-66.3	-69.2	174	0	0	109.3	K56	E51-K56 WeakPolarHBondContact OE1-CE 3.02Å; E51-K56 IonicContact OE1-NZ 2.77Å; E51-K56 PolarHBondContact OE1-NZ 3.13Å
52	Y	94.5	Very high	94.9	Very high	27 Å²	27	64.3 Å²	64.3	11%	0.106	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	104.7	-178	-178.8	-89.1	0	0	0	111.1	L31 E34 V35 I50 D54 F55 L57	L31-Y52 HydrophobicContact CD1-CE1 3.71Å; E34-Y52 HydrophobicContact CB-CE2 4.34Å; E34-Y52 PolarHBondContact OE2-OH 3.07Å; V35-Y52 HydrophobicContact CG2-CE1 4.22Å; V35-Y52 HydrophobicContact CG2-CE2 4.44Å; I50-Y52 PolarHBondContact O-N 3.4Å; Y52-D54 PolarHBondContact O-N 2.95Å; Y52-D54 VanDerWaalsContact O-N 3.12Å; Y52-F55 CarbonylContact C-O 3.58Å; Y52-F55 VanDerWaalsContact C-O 3.27Å; Y52-F55 WeakPolarHBondContact CA-O 3.32Å; Y52-F55 HydrophobicContact CD1-CD1 4.32Å; Y52-F55 HydrophobicContact CD1-CD2 4.48Å; Y52-F55 AromaticContact CD1-CE1 3.57Å; Y52-F55 HydrophobicContact CD1-CE1 3.57Å; Y52-F55 AromaticContact CD1-CE2 3.75Å; Y52-F55 HydrophobicContact CD1-CE2 3.75Å; Y52-F55 AromaticContact CD1-CZ 3.23Å; Y52-F55 HydrophobicContact CD1-CZ 3.23Å; Y52-F55 AromaticContact CE1-CE1 3.8Å; Y52-F55 HydrophobicContact CE1-CE1 3.8Å; Y52-F55 HydrophobicContact CE1-CE2 4.41Å; Y52-F55 AromaticContact CE1-CZ 3.52Å; Y52-F55 HydrophobicContact CE1-CZ 3.52Å; Y52-F55 HydrophobicContact CG-CZ 4.4Å; Y52-F55 PolarHBondContact N-O 3.44Å; Y52-F55 CarbonylContact O-C 3.55Å; Y52-F55 PolarHBondContact O-N 3.41Å; Y52-F55 VanDerWaalsContact O-N 3.08Å; Y52-L57 HydrophobicContact CD2-CD1 4.2Å; Y52-L57 HydrophobicContact CG-CD1 3.99Å; Y52-L57 HydrophobicContact CG-CG 4.38Å
53	K	92.1	Very high	94.7	Very high	150 Å²	150	65.3 Å²	65.3	65%	0.652	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-113.9	-178.7	-60.7	175.8	-179.6	158.4	0	110.9	E34	E34-K53 IonicContact OE2-NZ 2.82Å; E34-K53 PolarHBondContact OE2-NZ 2.85Å
54	D	92.7	Very high	94.6	Very high	101 Å²	101	64.6 Å²	64.6	54%	0.54	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.2	-177.2	65.5	-59	0	0	0	113.1	K3 Y52	K3-D54 IonicContact NZ-OD2 2.79Å; K3-D54 PolarHBondContact NZ-OD2 2.94Å; Y52-D54 PolarHBondContact O-N 2.95Å; Y52-D54 VanDerWaalsContact O-N 3.12Å
55	F	95.9	Very high	94.9	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.044	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	176.4	179.9	67.5	-91.7	0	0	0	111.5	K3 F4 L31 Y52 L57 V71	K3-F55 HydrophobicContact CD-CB 4.05Å; K3-F55 HydrophobicContact CD-CD1 4.18Å; K3-F55 HydrophobicContact CD-CG 4.03Å; F4-F55 HydrophobicContact CE1-CD2 4.5Å; F4-F55 AromaticContact CE1-CE2 3.54Å; F4-F55 HydrophobicContact CE1-CE2 3.54Å; F4-F55 AromaticContact CE1-CZ 3.68Å; F4-F55 HydrophobicContact CE1-CZ 3.68Å; F4-F55 AromaticContact CZ-CE2 3.7Å; F4-F55 HydrophobicContact CZ-CE2 3.7Å; F4-F55 HydrophobicContact CZ-CZ 4.09Å; L31-F55 HydrophobicContact CD1-CE1 4.5Å; L31-F55 HydrophobicContact CD1-CZ 4.1Å; Y52-F55 CarbonylContact C-O 3.58Å; Y52-F55 VanDerWaalsContact C-O 3.27Å; Y52-F55 WeakPolarHBondContact CA-O 3.32Å; Y52-F55 HydrophobicContact CD1-CD1 4.32Å; Y52-F55 HydrophobicContact CD1-CD2 4.48Å; Y52-F55 AromaticContact CD1-CE1 3.57Å; Y52-F55 HydrophobicContact CD1-CE1 3.57Å; Y52-F55 AromaticContact CD1-CE2 3.75Å; Y52-F55 HydrophobicContact CD1-CE2 3.75Å; Y52-F55 AromaticContact CD1-CZ 3.23Å; Y52-F55 HydrophobicContact CD1-CZ 3.23Å; Y52-F55 AromaticContact CE1-CE1 3.8Å; Y52-F55 HydrophobicContact CE1-CE1 3.8Å; Y52-F55 HydrophobicContact CE1-CE2 4.41Å; Y52-F55 AromaticContact CE1-CZ 3.52Å; Y52-F55 HydrophobicContact CE1-CZ 3.52Å; Y52-F55 HydrophobicContact CG-CZ 4.4Å; Y52-F55 PolarHBondContact N-O 3.44Å; Y52-F55 CarbonylContact O-C 3.55Å; Y52-F55 PolarHBondContact O-N 3.41Å; Y52-F55 VanDerWaalsContact O-N 3.08Å; F55-L57 HydrophobicContact CD2-CD2 4.32Å; F55-L57 HydrophobicContact CE2-CD2 3.62Å; F55-L57 HydrophobicContact CE2-CG 4.39Å; F55-V71 VanDerWaalsContact CB-O 3.3Å; F55-V71 WeakPolarHBondContact CB-O 3.37Å
56	K	97.4	Very high	95	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.148	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.7	-177.1	-59.6	-177.9	179.5	-165.8	0	111.2	I50 E51 I58 G70 V71 E77	I50-K56 WeakPolarHBondContact O-CA 3.43Å; E51-K56 WeakPolarHBondContact OE1-CE 3.02Å; E51-K56 IonicContact OE1-NZ 2.77Å; E51-K56 PolarHBondContact OE1-NZ 3.13Å; K56-I58 HydrophobicContact CB-CD1 4.32Å; K56-G70 CarbonylContact O-C 3.59Å; K56-G70 WeakPolarHBondContact O-CA 3.32Å; K56-V71 HydrophobicContact CB-CG2 4.11Å; K56-V71 PolarHBondContact N-O 2.89Å; K56-V71 PolarHBondContact O-N 3.17Å; K56-E77 HydrophobicContact CD-CG 4.25Å; K56-E77 VanDerWaalsContact CD-OE1 3.26Å; K56-E77 WeakPolarHBondContact CD-OE1 3.27Å; K56-E77 IonicContact NZ-OE1 2.73Å; K56-E77 PolarHBondContact NZ-OE1 3.47Å
57	L	97.8	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.3	171.9	-56.5	169.9	0	0	0	109	F4 V35 F49 I50 Y52 F55 V68 V69	F4-L57 HydrophobicContact CE2-CD2 4.26Å; F4-L57 HydrophobicContact CZ-CD2 3.74Å; V35-L57 HydrophobicContact CB-CD1 4.41Å; V35-L57 HydrophobicContact CB-CD2 4.49Å; V35-L57 HydrophobicContact CG1-CD1 3.95Å; V35-L57 HydrophobicContact CG1-CD2 3.7Å; V35-L57 HydrophobicContact CG1-CG 4.45Å; V35-L57 HydrophobicContact CG2-CD1 4.14Å; V35-L57 HydrophobicContact CG2-CD2 3.97Å; F49-L57 CarbonylContact C-O 3.27Å; F49-L57 WeakPolarHBondContact CA-O 3.17Å; I50-L57 HydrophobicContact CB-CB 4.15Å; I50-L57 HydrophobicContact CB-CD1 4.39Å; I50-L57 PolarHBondContact N-O 3.07Å; I50-L57 PolarHBondContact O-N 3.09Å; Y52-L57 HydrophobicContact CD2-CD1 4.2Å; Y52-L57 HydrophobicContact CG-CD1 3.99Å; Y52-L57 HydrophobicContact CG-CG 4.38Å; F55-L57 HydrophobicContact CD2-CD2 4.32Å; F55-L57 HydrophobicContact CE2-CD2 3.62Å; F55-L57 HydrophobicContact CE2-CG 4.39Å; L57-V68 HydrophobicContact CD2-CG1 4.3Å; L57-V69 WeakPolarHBondContact CA-O 3.43Å
58	I	98.1	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.3	169.6	-64.4	80.1	0	0	0	106.6	S48 F49 K56 V69 V71 E77 I80 Y81 I84	S48-I58 WeakPolarHBondContact O-CA 3.24Å; F49-I58 HydrophobicContact CD1-CB 4.3Å; F49-I58 HydrophobicContact CD1-CG1 3.81Å; F49-I58 HydrophobicContact CD1-CG2 3.96Å; F49-I58 HydrophobicContact CE1-CG1 4.29Å; F49-I58 HydrophobicContact CE1-CG2 3.9Å; K56-I58 HydrophobicContact CB-CD1 4.32Å; I58-V69 PolarHBondContact N-O 3.48Å; I58-V69 PolarHBondContact O-N 2.9Å; I58-V71 HydrophobicContact CD1-CB 4.38Å; I58-V71 HydrophobicContact CD1-CG1 4.26Å; I58-V71 HydrophobicContact CD1-CG2 3.27Å; I58-E77 HydrophobicContact CG1-CB 4.36Å; I58-I80 HydrophobicContact CB-CB 4.5Å; I58-I80 HydrophobicContact CB-CG2 3.88Å; I58-I80 HydrophobicContact CD1-CB 4.46Å; I58-I80 HydrophobicContact CD1-CG2 4.24Å; I58-I80 HydrophobicContact CG1-CB 4.26Å; I58-I80 HydrophobicContact CG1-CG2 4.09Å; I58-I80 HydrophobicContact CG2-CB 4.49Å; I58-I80 HydrophobicContact CG2-CG2 4.07Å; I58-Y81 HydrophobicContact CG2-CD2 3.87Å; I58-Y81 HydrophobicContact CG2-CG 4.48Å; I58-I84 HydrophobicContact CG2-CD1 3.84Å
59	Y	97.4	Very high	95.4	Very high	14 Å²	14	42 Å²	42	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.7	178.3	78.3	-83.2	0	0	0	113.3	C39 R42 S48 I50 F66 I67 Y81	C39-Y59 HydrophobicContact CB-CD1 4.36Å; C39-Y59 HydrophobicContact CB-CD2 4.33Å; C39-Y59 HydrophobicContact CB-CG 4.11Å; R42-Y59 WeakPolarHBondContact CB-OH 3.33Å; R42-Y59 WeakPolarHBondContact CD-OH 3.1Å; R42-Y59 PolarHBondContact NE-OH 3.17Å; S48-Y59 WeakPolarHBondContact CB-O 3.44Å; S48-Y59 WeakPolarHBondContact O-CD1 3.42Å; S48-Y59 PolarHBondContact O-N 3.05Å; S48-Y59 PolarHBondContact OG-O 3.06Å; I50-Y59 HydrophobicContact CD1-CD1 3.96Å; I50-Y59 HydrophobicContact CD1-CE1 3.79Å; I50-Y59 HydrophobicContact CG1-CD1 4.32Å; I50-Y59 HydrophobicContact CG1-CE1 4.07Å; Y59-F66 HydrophobicContact CD2-CD1 4.2Å; Y59-I67 CarbonylContact C-O 3.5Å; Y59-I67 WeakPolarHBondContact CA-O 3.35Å; Y59-I67 WeakPolarHBondContact CB-O 3.41Å; Y59-Y81 WeakPolarHBondContact O-CE2 3.43Å
60	R	96.6	Very high	95.4	Very high	46 Å²	46	39.5 Å²	39.5	17%	0.174	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.2	175.3	-165.3	166.4	178.2	169.2	-7	110.5	Y62 I67 Y81 E82 I84	R60-Y62 HydrophobicContact CB-CE2 3.92Å; R60-Y62 WeakPolarHBondContact CD-OH 3.3Å; R60-Y62 HydrophobicContact CG-CD2 4.34Å; R60-Y62 HydrophobicContact CG-CE2 3.58Å; R60-Y62 PolarHBondContact NE-OH 3.48Å; R60-I67 PolarHBondContact N-O 3.47Å; R60-I67 PolarHBondContact O-N 3.17Å; R60-Y81 HydrophobicContact CB-CD2 4.39Å; R60-Y81 HydrophobicContact CB-CE2 3.79Å; R60-Y81 VanDerWaalsContact CD-CZ 3.41Å; R60-Y81 HydrophobicContact CG-CE2 3.81Å; R60-E82 IonicContact NH1-OE1 3.98Å; R60-I84 HydrophobicContact CB-CG2 3.91Å
61	Q	94.8	Very high	95.5	Very high	70 Å²	70	38.2 Å²	38.2	33%	0.327	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.3	179.2	-174.4	-175.5	-10.6	0	0	110.7	A63 L65 F66	Q61-A63 PolarHBondContact NE2-O 3.12Å; Q61-L65 WeakPolarHBondContact CA-O 3.42Å; Q61-F66 HydrophobicContact CB-CD1 3.99Å; Q61-F66 HydrophobicContact CB-CE1 3.76Å; Q61-F66 HydrophobicContact CB-CG 4.5Å; Q61-F66 HydrophobicContact CB-CZ 4.09Å; Q61-F66 HydrophobicContact CG-CD1 4.21Å; Q61-F66 HydrophobicContact CG-CD2 4.21Å; Q61-F66 HydrophobicContact CG-CE1 3.81Å; Q61-F66 HydrophobicContact CG-CE2 3.79Å; Q61-F66 HydrophobicContact CG-CG 4.39Å; Q61-F66 HydrophobicContact CG-CZ 3.59Å
62	Y	93.5	Very high	95.5	Very high	51 Å²	51	33.9 Å²	33.9	20%	0.2	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	103.2	171.9	-68.8	-89.6	0	0	0	109.1	R60 A64 L65 I67 I84 H85 V88	R60-Y62 HydrophobicContact CB-CE2 3.92Å; R60-Y62 WeakPolarHBondContact CD-OH 3.3Å; R60-Y62 HydrophobicContact CG-CD2 4.34Å; R60-Y62 HydrophobicContact CG-CE2 3.58Å; R60-Y62 PolarHBondContact NE-OH 3.48Å; Y62-A64 PolarHBondContact O-N 3.4Å; Y62-L65 PolarHBondContact N-O 3.26Å; Y62-L65 PolarHBondContact O-N 2.87Å; Y62-I67 HydrophobicContact CD2-CD1 4.37Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; Y62-H85 AromaticContact CE1-ND1 3.93Å; Y62-H85 AromaticContact CZ-ND1 3.94Å; Y62-H85 WeakPolarHBondContact OH-CA 3.44Å; Y62-H85 VanDerWaalsContact OH-CB 3.31Å; Y62-H85 WeakPolarHBondContact OH-CB 3.37Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; Y62-H85 VanDerWaalsContact OH-ND1 3.12Å; Y62-V88 HydrophobicContact CD1-CB 4.42Å; Y62-V88 HydrophobicContact CD1-CG1 3.8Å; Y62-V88 HydrophobicContact CD1-CG2 4.37Å; Y62-V88 HydrophobicContact CD2-CG2 3.82Å; Y62-V88 HydrophobicContact CE1-CB 4.13Å; Y62-V88 HydrophobicContact CE1-CG1 3.9Å; Y62-V88 HydrophobicContact CE1-CG2 4.26Å; Y62-V88 HydrophobicContact CE2-CB 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.69Å; Y62-V88 HydrophobicContact CG-CG1 4.19Å; Y62-V88 HydrophobicContact CG-CG2 4.15Å
63	A	89.3	Confident	95.4	Very high	88 Å²	88	37.6 Å²	37.6	73%	0.727	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-105.4	-174.5	0	0	0	0	0	113.3	K10 Q61	K10-A63 VanDerWaalsContact CE-O 3.31Å; K10-A63 WeakPolarHBondContact CE-O 3.48Å; Q61-A63 PolarHBondContact NE2-O 3.12Å
64	A	89.7	Confident	95.5	Very high	39 Å²	39	35.8 Å²	35.8	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.2	179.1	0	0	0	0	0	114	N9 K10 Y62	N9-A64 CarbonylContact C-O 3.56Å; N9-A64 WeakPolarHBondContact CA-O 3.23Å; K10-A64 HydrophobicContact CD-CB 4.4Å; K10-A64 PolarHBondContact N-O 2.97Å; Y62-A64 PolarHBondContact O-N 3.4Å
65	L	94.4	Very high	95.7	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.9	179.5	-68.8	172.8	0	0	0	111.3	M7 N9 R15 Q61 Y62 E100 I103	M7-L65 HydrophobicContact CG-CD2 4.28Å; M7-L65 HydrophobicContact SD-CD1 4Å; M7-L65 HydrophobicContact SD-CD2 4.42Å; N9-L65 HydrophobicContact CB-CD2 4.35Å; R15-L65 HydrophobicContact CG-CD2 4.21Å; Q61-L65 WeakPolarHBondContact CA-O 3.42Å; Y62-L65 PolarHBondContact N-O 3.26Å; Y62-L65 PolarHBondContact O-N 2.87Å; L65-E100 HydrophobicContact CD1-CB 4.06Å; L65-E100 HydrophobicContact CD2-CB 4.24Å; L65-E100 HydrophobicContact CD2-CG 3.92Å; L65-E100 HydrophobicContact CG-CB 4.19Å; L65-E100 HydrophobicContact CG-CG 4.43Å; L65-I103 HydrophobicContact CD1-CD1 3.73Å
66	F	96	Very high	95.7	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.1	171.5	-73.8	-104.9	0	0	0	107.4	M7 V8 K10 L40 Y59 Q61	M7-F66 WeakPolarHBondContact CA-O 3.44Å; V8-F66 HydrophobicContact CG2-CB 3.95Å; V8-F66 WeakPolarHBondContact CG2-O 3.5Å; V8-F66 PolarHBondContact N-O 3.23Å; V8-F66 PolarHBondContact O-N 3Å; K10-F66 HydrophobicContact CG-CE2 3.82Å; L40-F66 HydrophobicContact CD2-CD1 4.14Å; L40-F66 HydrophobicContact CD2-CD2 3.54Å; L40-F66 HydrophobicContact CD2-CE1 4.11Å; L40-F66 HydrophobicContact CD2-CE2 3.53Å; L40-F66 HydrophobicContact CD2-CG 3.87Å; L40-F66 HydrophobicContact CD2-CZ 3.82Å; Y59-F66 HydrophobicContact CD2-CD1 4.2Å; Q61-F66 HydrophobicContact CB-CD1 3.99Å; Q61-F66 HydrophobicContact CB-CE1 3.76Å; Q61-F66 HydrophobicContact CB-CG 4.5Å; Q61-F66 HydrophobicContact CB-CZ 4.09Å; Q61-F66 HydrophobicContact CG-CD1 4.21Å; Q61-F66 HydrophobicContact CG-CD2 4.21Å; Q61-F66 HydrophobicContact CG-CE1 3.81Å; Q61-F66 HydrophobicContact CG-CE2 3.79Å; Q61-F66 HydrophobicContact CG-CG 4.39Å; Q61-F66 HydrophobicContact CG-CZ 3.59Å
67	I	97.7	Very high	95.7	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	169.9	-64.4	171.8	0	0	0	107.1	F5 L6 M7 Y59 R60 Y62 V69 I84 F87 V88	F5-I67 HydrophobicContact CD1-CG2 4.5Å; F5-I67 HydrophobicContact CE1-CG2 3.66Å; F5-I67 HydrophobicContact CE2-CG2 3.96Å; F5-I67 HydrophobicContact CZ-CG2 3.34Å; L6-I67 CarbonylContact O-C 3.53Å; L6-I67 WeakPolarHBondContact O-CA 3.14Å; M7-I67 HydrophobicContact CG-CG1 4.13Å; Y59-I67 CarbonylContact C-O 3.5Å; Y59-I67 WeakPolarHBondContact CA-O 3.35Å; Y59-I67 WeakPolarHBondContact CB-O 3.41Å; R60-I67 PolarHBondContact N-O 3.47Å; R60-I67 PolarHBondContact O-N 3.17Å; Y62-I67 HydrophobicContact CD2-CD1 4.37Å; I67-V69 HydrophobicContact CG2-CG2 4.21Å; I67-I84 HydrophobicContact CB-CG2 3.75Å; I67-I84 HydrophobicContact CD1-CG2 3.91Å; I67-I84 HydrophobicContact CG1-CG2 4.43Å; I67-I84 HydrophobicContact CG2-CB 4.41Å; I67-I84 HydrophobicContact CG2-CD1 4.24Å; I67-I84 HydrophobicContact CG2-CG1 3.95Å; I67-I84 HydrophobicContact CG2-CG2 3.67Å; I67-F87 HydrophobicContact CD1-CD1 3.99Å; I67-F87 HydrophobicContact CD1-CE1 4.26Å; I67-V88 HydrophobicContact CD1-CG2 3.3Å
68	V	97.8	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125	-178.8	-171.1	0	0	0	0	108.9	L6 V8 V35 C39 L57	L6-V68 HydrophobicContact CB-CB 4.4Å; L6-V68 PolarHBondContact N-O 3.43Å; L6-V68 PolarHBondContact O-N 2.82Å; V8-V68 HydrophobicContact CG2-CG2 4.28Å; V35-V68 HydrophobicContact CG1-CG1 3.6Å; C39-V68 HydrophobicContact CB-CG2 4.22Å; L57-V68 HydrophobicContact CD2-CG1 4.3Å
69	V	98.3	Very high	95.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.5	-179	-172.7	0	0	0	0	108.7	I2 F5 L57 I58 I67 V71 I80 I84	I2-V69 HydrophobicContact CG1-CG1 4.24Å; I2-V69 HydrophobicContact CG2-CG1 3.66Å; F5-V69 HydrophobicContact CD2-CG1 4.44Å; F5-V69 HydrophobicContact CD2-CG2 3.49Å; F5-V69 VanDerWaalsContact CD2-CG2 3.49Å; F5-V69 HydrophobicContact CE2-CG2 3.64Å; F5-V69 HydrophobicContact CG-CG2 4.25Å; L57-V69 WeakPolarHBondContact CA-O 3.43Å; I58-V69 PolarHBondContact N-O 3.48Å; I58-V69 PolarHBondContact O-N 2.9Å; I67-V69 HydrophobicContact CG2-CG2 4.21Å; V69-V71 HydrophobicContact CG1-CG1 3.8Å; V69-I80 HydrophobicContact CB-CG2 3.99Å; V69-I80 HydrophobicContact CG1-CG2 3.92Å; V69-I80 HydrophobicContact CG2-CG2 4.48Å; V69-I84 HydrophobicContact CB-CD1 4.37Å; V69-I84 HydrophobicContact CG2-CD1 3.65Å; V69-I84 HydrophobicContact CG2-CG1 3.64Å
70	G	97.9	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.8	172.1	0	0	0	0	0	110	K3 F4 K56	K3-G70 PolarHBondContact N-O 3.49Å; F4-G70 PolarHBondContact N-O 3.16Å; F4-G70 PolarHBondContact O-N 3.3Å; K56-G70 CarbonylContact O-C 3.59Å; K56-G70 WeakPolarHBondContact O-CA 3.32Å
71	V	98	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.7	-179	-54.4	0	0	0	0	111.3	M1 I2 F55 K56 I58 V69 E75 I80	M1-V71 WeakPolarHBondContact O-CA 3.43Å; I2-V71 HydrophobicContact CG1-CG1 4.06Å; F55-V71 VanDerWaalsContact CB-O 3.3Å; F55-V71 WeakPolarHBondContact CB-O 3.37Å; K56-V71 HydrophobicContact CB-CG2 4.11Å; K56-V71 PolarHBondContact N-O 2.89Å; K56-V71 PolarHBondContact O-N 3.17Å; I58-V71 HydrophobicContact CD1-CB 4.38Å; I58-V71 HydrophobicContact CD1-CG1 4.26Å; I58-V71 HydrophobicContact CD1-CG2 3.27Å; V69-V71 HydrophobicContact CG1-CG1 3.8Å; V71-E75 HydrophobicContact CB-CB 3.95Å; V71-E75 HydrophobicContact CB-CG 3.9Å; V71-E75 HydrophobicContact CG1-CB 4.49Å; V71-E75 HydrophobicContact CG1-CG 4.32Å; V71-E75 HydrophobicContact CG2-CB 3.95Å; V71-E75 HydrophobicContact CG2-CG 4.45Å; V71-I80 HydrophobicContact CG1-CD1 4.06Å; V71-I80 HydrophobicContact CG1-CG1 3.98Å; V71-I80 HydrophobicContact CG1-CG2 4.09Å
72	N	95.9	Very high	96	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.203	26%	0.263	C	S	.	.			trans	-70	174.5	171.9	73.4	-5.5	0	0	0	112.1	M1 T74 E75	M1-N72 PolarHBondContact N-ND2 2.94Å; M1-N72 PolarHBondContact N-OD1 3.27Å; M1-N72 PolarHBondContact O-N 3.37Å; M1-N72 PolarHBondContact O-OD1 2.97Å; N72-T74 VanDerWaalsContact CG-OG1 3.27Å; N72-T74 PolarHBondContact ND2-OG1 3.01Å; N72-T74 PolarHBondContact O-N 3.31Å; N72-T74 VanDerWaalsContact O-N 3.08Å; N72-T74 PolarHBondContact OD1-N 3.4Å; N72-T74 PolarHBondContact OD1-OG1 3.43Å; N72-E75 PolarHBondContact O-N 2.97Å
73	D	93.1	Very high	96.2	Very high	105 Å²	105	44.8 Å²	44.8	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-3.9	-176.3	-56.1	-29.9	0	0	0	114.8
74	T	93.8	Very high	96.6	Very high	112 Å²	112	40.6 Å²	40.6	69%	0.687	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.7	-179.9	68	0	0	0	0	113	N72	N72-T74 VanDerWaalsContact CG-OG1 3.27Å; N72-T74 PolarHBondContact ND2-OG1 3.01Å; N72-T74 PolarHBondContact O-N 3.31Å; N72-T74 VanDerWaalsContact O-N 3.08Å; N72-T74 PolarHBondContact OD1-N 3.4Å; N72-T74 PolarHBondContact OD1-OG1 3.43Å
75	E	96.3	Very high	97	Very high	60 Å²	60	41.1 Å²	41.1	28%	0.28	22%	0.216	S	C	.	.	S	Bend	trans	-79.4	148.9	178.6	-69	-55.4	143.6	0	0	112.3	M1 V71 N72 E77 I80	M1-E75 VanDerWaalsContact CA-OE1 3.28Å; M1-E75 WeakPolarHBondContact CA-OE1 3.47Å; M1-E75 VanDerWaalsContact N-CG 3.27Å; M1-E75 PolarHBondContact N-OE1 2.79Å; V71-E75 HydrophobicContact CB-CB 3.95Å; V71-E75 HydrophobicContact CB-CG 3.9Å; V71-E75 HydrophobicContact CG1-CB 4.49Å; V71-E75 HydrophobicContact CG1-CG 4.32Å; V71-E75 HydrophobicContact CG2-CB 3.95Å; V71-E75 HydrophobicContact CG2-CG 4.45Å; N72-E75 PolarHBondContact O-N 2.97Å; E75-E77 PolarHBondContact O-N 3.24Å; E75-I80 HydrophobicContact CB-CD1 4.38Å; E75-I80 HydrophobicContact CB-CG1 4.1Å; E75-I80 HydrophobicContact CG-CD1 4.35Å
76	N	96.8	Very high	97.2	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	22%	0.219	S	C	.	.			trans	-82	116.4	170.6	-176.4	-65.3	0	0	0	110	M78 A79 I80	N76-M78 VanDerWaalsContact C-N 3.28Å; N76-M78 PolarHBondContact O-N 3Å; N76-M78 WeakPolarHBondContact OD1-CA 3.15Å; N76-M78 WeakPolarHBondContact OD1-CB 3.3Å; N76-M78 PolarHBondContact OD1-N 2.96Å; N76-A79 HydrophobicContact CB-CB 3.86Å; N76-A79 WeakPolarHBondContact O-CB 3.19Å; N76-A79 PolarHBondContact O-N 3.25Å; N76-A79 VanDerWaalsContact O-N 3.12Å; N76-A79 PolarHBondContact OD1-N 3.07Å; N76-I80 WeakPolarHBondContact O-CG1 3.46Å; N76-I80 PolarHBondContact O-N 2.85Å
77	E	97.2	Very high	97.3	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-54.9	-41.9	-177.3	-64.3	153.1	177.8	0	0	112.7	F49 K56 I58 E75 I80 Y81	F49-E77 HydrophobicContact CD1-CB 4.15Å; F49-E77 HydrophobicContact CD2-CB 3.94Å; F49-E77 HydrophobicContact CD2-CG 4.48Å; F49-E77 HydrophobicContact CE1-CB 4.19Å; F49-E77 HydrophobicContact CE2-CB 3.97Å; F49-E77 HydrophobicContact CG-CB 4.05Å; F49-E77 HydrophobicContact CG-CG 4.44Å; F49-E77 HydrophobicContact CZ-CB 4.1Å; K56-E77 HydrophobicContact CD-CG 4.25Å; K56-E77 VanDerWaalsContact CD-OE1 3.26Å; K56-E77 WeakPolarHBondContact CD-OE1 3.27Å; K56-E77 IonicContact NZ-OE1 2.73Å; K56-E77 PolarHBondContact NZ-OE1 3.47Å; I58-E77 HydrophobicContact CG1-CB 4.36Å; E75-E77 PolarHBondContact O-N 3.24Å; E77-I80 PolarHBondContact O-N 3.34Å; E77-Y81 WeakPolarHBondContact O-CB 3.42Å; E77-Y81 PolarHBondContact O-N 3.3Å
78	M	97.5	Very high	97.3	Very high	100 Å²	100	41.5 Å²	41.5	49%	0.493	22%	0.22	S	C	.	.	H	α-helix	trans	-71.3	-37.5	-179.6	-164.3	68.1	-168.4	0	0	111.8	F49 N76 I80 Y81 E82	F49-M78 HydrophobicContact CZ-SD 4.29Å; N76-M78 VanDerWaalsContact C-N 3.28Å; N76-M78 PolarHBondContact O-N 3Å; N76-M78 WeakPolarHBondContact OD1-CA 3.15Å; N76-M78 WeakPolarHBondContact OD1-CB 3.3Å; N76-M78 PolarHBondContact OD1-N 2.96Å; M78-I80 VanDerWaalsContact C-N 3.31Å; M78-I80 PolarHBondContact O-N 3.01Å; M78-Y81 HydrophobicContact CE-CD1 4.32Å; M78-Y81 WeakPolarHBondContact O-CB 3.48Å; M78-Y81 PolarHBondContact O-N 3.29Å; M78-E82 HydrophobicContact CE-CG 4.47Å; M78-E82 PolarHBondContact O-N 2.85Å
79	A	97.7	Very high	97.3	Very high	53 Å²	53	44.8 Å²	44.8	44%	0.438	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-40.6	174.7	0	0	0	0	0	111.3	N76 Y81 E82 F83	N76-A79 HydrophobicContact CB-CB 3.86Å; N76-A79 WeakPolarHBondContact O-CB 3.19Å; N76-A79 PolarHBondContact O-N 3.25Å; N76-A79 VanDerWaalsContact O-N 3.12Å; N76-A79 PolarHBondContact OD1-N 3.07Å; A79-Y81 VanDerWaalsContact C-N 3.34Å; A79-E82 PolarHBondContact O-N 3.29Å; A79-F83 VanDerWaalsContact O-CB 3.3Å; A79-F83 WeakPolarHBondContact O-CB 3.43Å; A79-F83 PolarHBondContact O-N 3.29Å
80	I	98.3	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-37.9	174.5	-59.6	-64.6	0	0	0	111	I2 I58 V69 V71 E75 N76 E77 M78 F83 I84 I123	I2-I80 HydrophobicContact CD1-CD1 4.28Å; I2-I80 HydrophobicContact CG1-CD1 4.12Å; I58-I80 HydrophobicContact CB-CB 4.5Å; I58-I80 HydrophobicContact CB-CG2 3.88Å; I58-I80 HydrophobicContact CD1-CB 4.46Å; I58-I80 HydrophobicContact CD1-CG2 4.24Å; I58-I80 HydrophobicContact CG1-CB 4.26Å; I58-I80 HydrophobicContact CG1-CG2 4.09Å; I58-I80 HydrophobicContact CG2-CB 4.49Å; I58-I80 HydrophobicContact CG2-CG2 4.07Å; V69-I80 HydrophobicContact CB-CG2 3.99Å; V69-I80 HydrophobicContact CG1-CG2 3.92Å; V69-I80 HydrophobicContact CG2-CG2 4.48Å; V71-I80 HydrophobicContact CG1-CD1 4.06Å; V71-I80 HydrophobicContact CG1-CG1 3.98Å; V71-I80 HydrophobicContact CG1-CG2 4.09Å; E75-I80 HydrophobicContact CB-CD1 4.38Å; E75-I80 HydrophobicContact CB-CG1 4.1Å; E75-I80 HydrophobicContact CG-CD1 4.35Å; N76-I80 WeakPolarHBondContact O-CG1 3.46Å; N76-I80 PolarHBondContact O-N 2.85Å; E77-I80 PolarHBondContact O-N 3.34Å; M78-I80 VanDerWaalsContact C-N 3.31Å; M78-I80 PolarHBondContact O-N 3.01Å; I80-F83 WeakPolarHBondContact O-CB 3.48Å; I80-F83 PolarHBondContact O-N 2.86Å; I80-I84 WeakPolarHBondContact O-CG1 3.43Å; I80-I84 PolarHBondContact O-N 2.86Å; I80-I123 HydrophobicContact CD1-CD1 4.14Å
81	Y	98.2	Very high	97.2	Very high	48 Å²	48	44.9 Å²	44.9	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-41.1	177.3	-167.3	-101.1	0	0	0	113.1	S48 F49 I58 Y59 R60 E77 M78 A79 H85	S48-Y81 VanDerWaalsContact CB-CE2 3.43Å; S48-Y81 WeakPolarHBondContact OG-CE2 3.37Å; F49-Y81 AromaticContact CE1-CD2 3.88Å; F49-Y81 HydrophobicContact CE1-CD2 3.88Å; F49-Y81 HydrophobicContact CE1-CG 4.14Å; I58-Y81 HydrophobicContact CG2-CD2 3.87Å; I58-Y81 HydrophobicContact CG2-CG 4.48Å; Y59-Y81 WeakPolarHBondContact O-CE2 3.43Å; R60-Y81 HydrophobicContact CB-CD2 4.39Å; R60-Y81 HydrophobicContact CB-CE2 3.79Å; R60-Y81 VanDerWaalsContact CD-CZ 3.41Å; R60-Y81 HydrophobicContact CG-CE2 3.81Å; E77-Y81 WeakPolarHBondContact O-CB 3.42Å; E77-Y81 PolarHBondContact O-N 3.3Å; M78-Y81 HydrophobicContact CE-CD1 4.32Å; M78-Y81 WeakPolarHBondContact O-CB 3.48Å; M78-Y81 PolarHBondContact O-N 3.29Å; A79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-H85 PolarHBondContact O-N 3.31Å
82	E	98.2	Very high	97.2	Very high	87 Å²	87	48.3 Å²	48.3	41%	0.407	26%	0.255	S	S	.	.	H	α-helix	trans	-74.6	-32.1	173.9	-69.8	-53.3	126.6	0	0	112.2	R60 M78 A79 I84 H85 N86	R60-E82 IonicContact NH1-OE1 3.98Å; M78-E82 HydrophobicContact CE-CG 4.47Å; M78-E82 PolarHBondContact O-N 2.85Å; A79-E82 PolarHBondContact O-N 3.29Å; E82-I84 VanDerWaalsContact C-N 3.34Å; E82-I84 PolarHBondContact O-N 3.46Å; E82-H85 WeakPolarHBondContact O-CA 3.34Å; E82-H85 WeakPolarHBondContact O-CB 3.45Å; E82-H85 PolarHBondContact O-N 3.25Å; E82-H85 IonicContact OE2-CD2 3.54Å; E82-N86 PolarHBondContact O-N 3.08Å
83	F	98.4	Very high	97.2	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-43.5	171.9	172.5	-99.1	0	0	0	112.1	F5 A79 I80 H85 N86 F87 M117 V118 I123	F5-F83 HydrophobicContact CD2-CE1 4.36Å; F5-F83 AromaticContact CE2-CE1 3.94Å; F5-F83 HydrophobicContact CE2-CE1 3.94Å; A79-F83 VanDerWaalsContact O-CB 3.3Å; A79-F83 WeakPolarHBondContact O-CB 3.43Å; A79-F83 PolarHBondContact O-N 3.29Å; I80-F83 WeakPolarHBondContact O-CB 3.48Å; I80-F83 PolarHBondContact O-N 2.86Å; F83-H85 PolarHBondContact O-N 3.23Å; F83-N86 PolarHBondContact O-N 2.92Å; F83-F87 PolarHBondContact O-N 3.41Å; F83-M117 HydrophobicContact CD2-CE 4.29Å; F83-M117 HydrophobicContact CE2-CB 4Å; F83-M117 HydrophobicContact CE2-CE 3.63Å; F83-M117 HydrophobicContact CZ-CB 3.99Å; F83-M117 HydrophobicContact CZ-CE 4.13Å; F83-V118 HydrophobicContact CE1-CG2 3.79Å; F83-V118 HydrophobicContact CE2-CG2 4.03Å; F83-V118 HydrophobicContact CZ-CG2 3.23Å; F83-I123 HydrophobicContact CB-CD1 3.86Å; F83-I123 HydrophobicContact CD1-CD1 4.23Å; F83-I123 HydrophobicContact CD2-CB 4.48Å; F83-I123 HydrophobicContact CD2-CD1 3.57Å; F83-I123 HydrophobicContact CD2-CG1 3.77Å; F83-I123 HydrophobicContact CD2-CG2 3.87Å; F83-I123 HydrophobicContact CE2-CB 4.48Å; F83-I123 HydrophobicContact CE2-CD1 4.23Å; F83-I123 HydrophobicContact CE2-CG1 3.91Å; F83-I123 HydrophobicContact CE2-CG2 3.88Å; F83-I123 HydrophobicContact CG-CD1 3.59Å; F83-I123 HydrophobicContact CG-CG1 4.11Å; F83-I123 HydrophobicContact CZ-CG1 4.39Å
84	I	98.3	Very high	97.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-40.3	173.1	-69.3	167.4	0	0	0	110.5	I58 R60 Y62 I67 V69 I80 E82 F87 V88	I58-I84 HydrophobicContact CG2-CD1 3.84Å; R60-I84 HydrophobicContact CB-CG2 3.91Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; I67-I84 HydrophobicContact CB-CG2 3.75Å; I67-I84 HydrophobicContact CD1-CG2 3.91Å; I67-I84 HydrophobicContact CG1-CG2 4.43Å; I67-I84 HydrophobicContact CG2-CB 4.41Å; I67-I84 HydrophobicContact CG2-CD1 4.24Å; I67-I84 HydrophobicContact CG2-CG1 3.95Å; I67-I84 HydrophobicContact CG2-CG2 3.67Å; V69-I84 HydrophobicContact CB-CD1 4.37Å; V69-I84 HydrophobicContact CG2-CD1 3.65Å; V69-I84 HydrophobicContact CG2-CG1 3.64Å; I80-I84 WeakPolarHBondContact O-CG1 3.43Å; I80-I84 PolarHBondContact O-N 2.86Å; E82-I84 VanDerWaalsContact C-N 3.34Å; E82-I84 PolarHBondContact O-N 3.46Å; I84-F87 PolarHBondContact O-N 3.08Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.14Å; I84-V88 VanDerWaalsContact O-N 3.16Å
85	H	98	Very high	97.4	Very high	50 Å²	50	44.2 Å²	44.2	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-45.8	178.3	-168.6	21	0	0	0	112.9	Y62 Y81 E82 F83 F87 V88 E89	Y62-H85 AromaticContact CE1-ND1 3.93Å; Y62-H85 AromaticContact CZ-ND1 3.94Å; Y62-H85 WeakPolarHBondContact OH-CA 3.44Å; Y62-H85 VanDerWaalsContact OH-CB 3.31Å; Y62-H85 WeakPolarHBondContact OH-CB 3.37Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; Y62-H85 VanDerWaalsContact OH-ND1 3.12Å; Y81-H85 PolarHBondContact O-N 3.31Å; E82-H85 WeakPolarHBondContact O-CA 3.34Å; E82-H85 WeakPolarHBondContact O-CB 3.45Å; E82-H85 PolarHBondContact O-N 3.25Å; E82-H85 IonicContact OE2-CD2 3.54Å; F83-H85 PolarHBondContact O-N 3.23Å; H85-F87 VanDerWaalsContact C-N 3.25Å; H85-F87 PolarHBondContact O-N 2.86Å; H85-V88 PolarHBondContact O-N 3.21Å; H85-V88 VanDerWaalsContact O-N 3.09Å; H85-E89 IonicContact CE1-OE1 2.67Å; H85-E89 IonicContact NE2-OE1 3.35Å; H85-E89 WeakPolarHBondContact O-CG 3.35Å; H85-E89 PolarHBondContact O-N 2.76Å
86	N	98.2	Very high	97.3	Very high	29 Å²	29	46.1 Å²	46.1	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-41.4	176.1	-169.4	43.5	0	0	0	111.1	E82 F83 V88 E89 V90 M117 T126	E82-N86 PolarHBondContact O-N 3.08Å; F83-N86 PolarHBondContact O-N 2.92Å; N86-V88 PolarHBondContact O-N 2.89Å; N86-E89 PolarHBondContact O-N 3.3Å; N86-V90 VanDerWaalsContact O-CG2 3.28Å; N86-V90 WeakPolarHBondContact O-CG2 3.36Å; N86-V90 PolarHBondContact O-N 3.4Å; N86-M117 HydrophobicContact CB-CE 4.28Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; N86-T126 PolarHBondContact ND2-O 2.77Å
87	F	98.3	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-44.5	175.2	172.9	-100.6	0	0	0	112.2	F5 M7 L16 I67 F83 I84 H85 V90 L91 V110 I113 L114 M117	F5-F87 HydrophobicContact CE1-CD1 4.21Å; F5-F87 AromaticContact CE1-CE1 3.91Å; F5-F87 HydrophobicContact CE1-CE1 3.91Å; F5-F87 HydrophobicContact CE1-CZ 4.31Å; F5-F87 AromaticContact CZ-CD1 3.67Å; F5-F87 HydrophobicContact CZ-CD1 3.67Å; F5-F87 AromaticContact CZ-CE1 3.86Å; F5-F87 HydrophobicContact CZ-CE1 3.86Å; F5-F87 HydrophobicContact CZ-CG 4.08Å; F5-F87 HydrophobicContact CZ-CZ 4.44Å; M7-F87 HydrophobicContact CE-CE1 3.64Å; M7-F87 HydrophobicContact CE-CZ 4.1Å; L16-F87 HydrophobicContact CD2-CZ 4.17Å; I67-F87 HydrophobicContact CD1-CD1 3.99Å; I67-F87 HydrophobicContact CD1-CE1 4.26Å; F83-F87 PolarHBondContact O-N 3.41Å; I84-F87 PolarHBondContact O-N 3.08Å; H85-F87 VanDerWaalsContact C-N 3.25Å; H85-F87 PolarHBondContact O-N 2.86Å; F87-V90 PolarHBondContact O-N 3.35Å; F87-L91 HydrophobicContact CD1-CD1 4.02Å; F87-L91 HydrophobicContact CE1-CD1 3.44Å; F87-L91 VanDerWaalsContact CE1-CD1 3.44Å; F87-L91 HydrophobicContact CE1-CG 4.28Å; F87-L91 HydrophobicContact CE2-CD1 4.41Å; F87-L91 HydrophobicContact CE2-CG 4.48Å; F87-L91 HydrophobicContact CZ-CD1 3.67Å; F87-L91 HydrophobicContact CZ-CD2 4.4Å; F87-L91 HydrophobicContact CZ-CG 4.2Å; F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 2.96Å; F87-L91 VanDerWaalsContact O-N 3.1Å; F87-V110 HydrophobicContact CZ-CG1 4.09Å; F87-I113 HydrophobicContact CD2-CG2 4.2Å; F87-I113 HydrophobicContact CE2-CG2 4.01Å; F87-L114 HydrophobicContact CD2-CD1 4.18Å; F87-L114 HydrophobicContact CE2-CB 3.91Å; F87-L114 HydrophobicContact CE2-CD1 4.05Å; F87-M117 HydrophobicContact CB-CE 4.05Å; F87-M117 HydrophobicContact CB-SD 4.04Å; F87-M117 HydrophobicContact CD2-SD 3.68Å; F87-M117 HydrophobicContact CG-SD 4.36Å
88	V	97.2	Very high	96.9	Very high	22 Å²	22	50.5 Å²	50.5	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-38.1	176.6	175.9	0	0	0	0	112.1	Y62 I67 I84 H85 N86 L91 D92	Y62-V88 HydrophobicContact CD1-CB 4.42Å; Y62-V88 HydrophobicContact CD1-CG1 3.8Å; Y62-V88 HydrophobicContact CD1-CG2 4.37Å; Y62-V88 HydrophobicContact CD2-CG2 3.82Å; Y62-V88 HydrophobicContact CE1-CB 4.13Å; Y62-V88 HydrophobicContact CE1-CG1 3.9Å; Y62-V88 HydrophobicContact CE1-CG2 4.26Å; Y62-V88 HydrophobicContact CE2-CB 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.69Å; Y62-V88 HydrophobicContact CG-CG1 4.19Å; Y62-V88 HydrophobicContact CG-CG2 4.15Å; I67-V88 HydrophobicContact CD1-CG2 3.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.14Å; I84-V88 VanDerWaalsContact O-N 3.16Å; H85-V88 PolarHBondContact O-N 3.21Å; H85-V88 VanDerWaalsContact O-N 3.09Å; N86-V88 PolarHBondContact O-N 2.89Å; V88-L91 PolarHBondContact O-N 3.31Å; V88-D92 WeakPolarHBondContact O-CB 3.19Å; V88-D92 PolarHBondContact O-N 3.36Å
89	E	97.4	Very high	96.7	Very high	69 Å²	69	48 Å²	48	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-38.9	175.8	-69.9	-165.7	160.4	0	0	112.3	H85 N86 L91 D92 E93 R128	H85-E89 IonicContact CE1-OE1 2.67Å; H85-E89 IonicContact NE2-OE1 3.35Å; H85-E89 WeakPolarHBondContact O-CG 3.35Å; H85-E89 PolarHBondContact O-N 2.76Å; N86-E89 PolarHBondContact O-N 3.3Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-D92 PolarHBondContact O-N 3.35Å; E89-E93 WeakPolarHBondContact O-CB 3.32Å; E89-E93 PolarHBondContact O-N 2.84Å; E89-R128 IonicContact OE2-CZ 2.7Å; E89-R128 IonicContact OE2-NH1 3.52Å; E89-R128 PolarHBondContact OE2-NH1 3.25Å
90	V	98	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-42.5	174.4	174.1	0	0	0	0	110.8	N86 F87 E93 Y94 I113 M117 R128 I131 L132	N86-V90 VanDerWaalsContact O-CG2 3.28Å; N86-V90 WeakPolarHBondContact O-CG2 3.36Å; N86-V90 PolarHBondContact O-N 3.4Å; F87-V90 PolarHBondContact O-N 3.35Å; V90-E93 PolarHBondContact O-N 3.04Å; V90-Y94 WeakPolarHBondContact O-CB 2.97Å; V90-Y94 PolarHBondContact O-N 3Å; V90-I113 HydrophobicContact CB-CG2 4.34Å; V90-I113 HydrophobicContact CG1-CD1 4.49Å; V90-I113 HydrophobicContact CG1-CG2 3.55Å; V90-M117 HydrophobicContact CG2-CE 4.42Å; V90-M117 HydrophobicContact CG2-SD 4.34Å; V90-R128 HydrophobicContact CG2-CB 4.08Å; V90-R128 HydrophobicContact CG2-CG 3.65Å; V90-I131 HydrophobicContact CG1-CB 4.43Å; V90-I131 HydrophobicContact CG1-CG2 3.75Å; V90-I131 HydrophobicContact CG2-CD1 3.98Å; V90-L132 HydrophobicContact CG1-CD2 3.63Å; V90-L132 HydrophobicContact CG1-CG 4.04Å
91	L	97.4	Very high	96.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.6	-68.5	175.3	0	0	0	111.6	M7 F87 V88 E89 E93 Y94 F95 V98 I103 V110 I113	M7-L91 HydrophobicContact CE-CD1 4.31Å; F87-L91 HydrophobicContact CD1-CD1 4.02Å; F87-L91 HydrophobicContact CE1-CD1 3.44Å; F87-L91 VanDerWaalsContact CE1-CD1 3.44Å; F87-L91 HydrophobicContact CE1-CG 4.28Å; F87-L91 HydrophobicContact CE2-CD1 4.41Å; F87-L91 HydrophobicContact CE2-CG 4.48Å; F87-L91 HydrophobicContact CZ-CD1 3.67Å; F87-L91 HydrophobicContact CZ-CD2 4.4Å; F87-L91 HydrophobicContact CZ-CG 4.2Å; F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 2.96Å; F87-L91 VanDerWaalsContact O-N 3.1Å; V88-L91 PolarHBondContact O-N 3.31Å; E89-L91 VanDerWaalsContact C-N 3.32Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 3.01Å; L91-Y94 PolarHBondContact O-N 3.33Å; L91-F95 HydrophobicContact CB-CD2 4.47Å; L91-F95 HydrophobicContact CD2-CD2 4.46Å; L91-F95 HydrophobicContact CD2-CE2 3.96Å; L91-F95 VanDerWaalsContact O-CD2 3.27Å; L91-F95 WeakPolarHBondContact O-CD2 3.41Å; L91-F95 PolarHBondContact O-N 3.2Å; L91-V98 HydrophobicContact CB-CB 4.38Å; L91-V98 HydrophobicContact CB-CG1 4.25Å; L91-V98 HydrophobicContact CB-CG2 4.22Å; L91-I103 HydrophobicContact CD1-CD1 4.27Å; L91-V110 HydrophobicContact CD2-CB 4.49Å; L91-V110 HydrophobicContact CD2-CG1 4.2Å; L91-V110 HydrophobicContact CD2-CG2 4.05Å; L91-I113 HydrophobicContact CD2-CD1 3.77Å; L91-I113 HydrophobicContact CD2-CG2 4.46Å
92	D	96.2	Very high	96	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-39.6	-179.9	-161.7	63.5	0	0	0	112.3	V88 E89 S96 R97 V98	V88-D92 WeakPolarHBondContact O-CB 3.19Å; V88-D92 PolarHBondContact O-N 3.36Å; E89-D92 PolarHBondContact O-N 3.35Å; D92-S96 WeakPolarHBondContact O-CA 3.3Å; D92-S96 PolarHBondContact O-N 3.35Å; D92-R97 PolarHBondContact O-N 3.3Å; D92-R97 VanDerWaalsContact O-N 3.14Å; D92-R97 VanDerWaalsContact OD1-CA 3.23Å; D92-R97 WeakPolarHBondContact OD1-CA 3.39Å; D92-V98 HydrophobicContact CB-CG1 4.07Å; D92-V98 PolarHBondContact OD1-N 3.21Å
93	E	96.4	Very high	95.8	Very high	99 Å²	99	48.9 Å²	48.9	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-45.6	174.3	-174.1	173.6	168.5	0	0	111.4	E89 V90 L91 R128 L132	E89-E93 WeakPolarHBondContact O-CB 3.32Å; E89-E93 PolarHBondContact O-N 2.84Å; V90-E93 PolarHBondContact O-N 3.04Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 3.01Å; E93-R128 WeakPolarHBondContact OE2-CD 3.33Å; E93-R128 IonicContact OE2-NE 2.91Å; E93-L132 HydrophobicContact CB-CD1 4.14Å; E93-L132 HydrophobicContact CG-CD1 3.78Å
94	Y	96.7	Very high	95.5	Very high	32 Å²	32	52.3 Å²	52.3	13%	0.125	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-45.5	-180	-175.8	-108.9	0	0	0	113	V90 L91 K109 I113 L132 L135 D139	V90-Y94 WeakPolarHBondContact O-CB 2.97Å; V90-Y94 PolarHBondContact O-N 3Å; L91-Y94 PolarHBondContact O-N 3.33Å; Y94-K109 HydrophobicContact CE1-CB 4.14Å; Y94-K109 HydrophobicContact CE1-CD 3.98Å; Y94-K109 VanDerWaalsContact OH-CD 3.27Å; Y94-K109 WeakPolarHBondContact OH-CD 3.21Å; Y94-K109 VanDerWaalsContact OH-CE 3.27Å; Y94-K109 WeakPolarHBondContact OH-CE 3.49Å; Y94-K109 PolarHBondContact OH-NZ 2.97Å; Y94-I113 HydrophobicContact CD1-CD1 4.07Å; Y94-I113 HydrophobicContact CG-CD1 4.12Å; Y94-L132 HydrophobicContact CD2-CD2 3.91Å; Y94-L132 HydrophobicContact CG-CD2 4.13Å; Y94-L135 HydrophobicContact CD1-CD2 4.42Å; Y94-L135 HydrophobicContact CD2-CB 4.4Å; Y94-L135 HydrophobicContact CD2-CD2 4.14Å; Y94-L135 HydrophobicContact CE1-CD2 4.01Å; Y94-L135 HydrophobicContact CE2-CB 3.79Å; Y94-L135 HydrophobicContact CE2-CD2 3.7Å; Y94-L135 HydrophobicContact CE2-CG 4.42Å; Y94-L135 HydrophobicContact CG-CD2 4.49Å; Y94-D139 VanDerWaalsContact CE2-OD2 3.31Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.31Å; Y94-D139 VanDerWaalsContact OH-CG 3.29Å; Y94-D139 PolarHBondContact OH-OD1 2.88Å; Y94-D139 PolarHBondContact OH-OD2 3.25Å
95	F	95.2	Very high	95.4	Very high	37 Å²	37	59.8 Å²	59.8	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-88.6	-3.1	-176.7	-68.7	-68.4	0	0	0	114.1	L91 V98 D102 N106 V110	L91-F95 HydrophobicContact CB-CD2 4.47Å; L91-F95 HydrophobicContact CD2-CD2 4.46Å; L91-F95 HydrophobicContact CD2-CE2 3.96Å; L91-F95 VanDerWaalsContact O-CD2 3.27Å; L91-F95 WeakPolarHBondContact O-CD2 3.41Å; L91-F95 PolarHBondContact O-N 3.2Å; F95-V98 HydrophobicContact CB-CB 4.08Å; F95-V98 HydrophobicContact CB-CG2 4.33Å; F95-V98 HydrophobicContact CD2-CB 4.17Å; F95-V98 HydrophobicContact CD2-CG2 3.68Å; F95-V98 HydrophobicContact CE2-CG2 4.4Å; F95-V98 HydrophobicContact CG-CG2 4.27Å; F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.33Å; F95-D102 HydrophobicContact CG-CB 4.18Å; F95-N106 HydrophobicContact CE1-CB 3.75Å; F95-N106 HydrophobicContact CZ-CB 3.72Å; F95-V110 HydrophobicContact CE2-CG2 4.11Å; F95-V110 HydrophobicContact CZ-CG2 4.19Å
96	S	93.3	Very high	95.2	Very high	100 Å²	100	59.4 Å²	59.4	70%	0.699	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	57.1	-176.1	-62.5	0	0	0	0	112.8	D92	D92-S96 WeakPolarHBondContact O-CA 3.3Å; D92-S96 PolarHBondContact O-N 3.35Å
97	R	91.5	Very high	95.1	Very high	213 Å²	213	61 Å²	61	80%	0.804	30%	0.303	S	S	*	.	S	Bend	trans	90.9	89.2	-166.9	-58.2	173.1	179.7	-178.2	0.5	112.8	D92	D92-R97 PolarHBondContact O-N 3.3Å; D92-R97 VanDerWaalsContact O-N 3.14Å; D92-R97 VanDerWaalsContact OD1-CA 3.23Å; D92-R97 WeakPolarHBondContact OD1-CA 3.39Å
98	V	93.8	Very high	94.9	Very high	37 Å²	37	65.8 Å²	65.8	22%	0.224	33%	0.329	C	S	.	.			trans	-74.4	133.8	-176.1	65.4	0	0	0	0	112.3	L91 D92 F95 I103	L91-V98 HydrophobicContact CB-CB 4.38Å; L91-V98 HydrophobicContact CB-CG1 4.25Å; L91-V98 HydrophobicContact CB-CG2 4.22Å; D92-V98 HydrophobicContact CB-CG1 4.07Å; D92-V98 PolarHBondContact OD1-N 3.21Å; F95-V98 HydrophobicContact CB-CB 4.08Å; F95-V98 HydrophobicContact CB-CG2 4.33Å; F95-V98 HydrophobicContact CD2-CB 4.17Å; F95-V98 HydrophobicContact CD2-CG2 3.68Å; F95-V98 HydrophobicContact CE2-CG2 4.4Å; F95-V98 HydrophobicContact CG-CG2 4.27Å; V98-I103 HydrophobicContact CG2-CD1 3.86Å; V98-I103 HydrophobicContact CG2-CG1 3.67Å
99	S	93.5	Very high	94.9	Very high	49 Å²	49	67.1 Å²	67.1	34%	0.343	33%	0.333	S	S	.	.			trans	-113.6	162.8	166.5	77	0	0	0	0	112	L101 D102 I103	S99-L101 PolarHBondContact O-N 3.24Å; S99-L101 PolarHBondContact OG-N 3.34Å; S99-D102 VanDerWaalsContact CB-OD2 3.26Å; S99-D102 WeakPolarHBondContact CB-OD2 3.42Å; S99-D102 PolarHBondContact N-OD2 3.08Å; S99-D102 PolarHBondContact O-N 3.25Å; S99-D102 VanDerWaalsContact OG-CG 3.24Å; S99-D102 PolarHBondContact OG-N 3Å; S99-D102 PolarHBondContact OG-OD2 3.17Å; S99-I103 PolarHBondContact O-N 2.95Å
100	E	92.5	Very high	94.9	Very high	48 Å²	48	63.8 Å²	63.8	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-55.2	-34.6	172.1	173.5	176	-179.9	0	0	111.7	N9 R15 L65 I103 M104	N9-E100 WeakPolarHBondContact CB-OE1 3.36Å; R15-E100 IonicContact CZ-OE1 3.2Å; R15-E100 IonicContact NE-OE1 2.71Å; R15-E100 PolarHBondContact NE-OE1 3.24Å; R15-E100 IonicContact NH2-OE1 3.55Å; R15-E100 PolarHBondContact NH2-OE1 3.48Å; L65-E100 HydrophobicContact CD1-CB 4.06Å; L65-E100 HydrophobicContact CD2-CB 4.24Å; L65-E100 HydrophobicContact CD2-CG 3.92Å; L65-E100 HydrophobicContact CG-CB 4.19Å; L65-E100 HydrophobicContact CG-CG 4.43Å; E100-I103 PolarHBondContact O-N 3.25Å; E100-M104 HydrophobicContact CG-SD 4.32Å; E100-M104 WeakPolarHBondContact O-CG 3.4Å; E100-M104 PolarHBondContact O-N 2.96Å; E100-M104 VanDerWaalsContact O-N 3.08Å
101	L	93	Very high	94.8	Very high	105 Å²	105	66.7 Å²	66.7	55%	0.55	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-42.7	-179.4	-168.5	141.3	0	0	0	110.9	S99 I103 M104 F105	S99-L101 PolarHBondContact O-N 3.24Å; S99-L101 PolarHBondContact OG-N 3.34Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.45Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å; L101-F105 HydrophobicContact CD1-CE2 4.2Å; L101-F105 HydrophobicContact CD2-CD2 3.38Å; L101-F105 HydrophobicContact CD2-CE2 3.44Å; L101-F105 VanDerWaalsContact CD2-CE2 3.44Å; L101-F105 HydrophobicContact CG-CD2 3.73Å; L101-F105 HydrophobicContact CG-CE2 3.62Å; L101-F105 VanDerWaalsContact O-CD2 3.28Å; L101-F105 WeakPolarHBondContact O-CD2 3.41Å; L101-F105 PolarHBondContact O-N 3.23Å
102	D	94	Very high	94.8	Very high	47 Å²	47	69.2 Å²	69.2	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-41.3	177.2	-56.5	-50.6	0	0	0	111.7	F95 S99 F105 N106	F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.33Å; F95-D102 HydrophobicContact CG-CB 4.18Å; S99-D102 VanDerWaalsContact CB-OD2 3.26Å; S99-D102 WeakPolarHBondContact CB-OD2 3.42Å; S99-D102 PolarHBondContact N-OD2 3.08Å; S99-D102 PolarHBondContact O-N 3.25Å; S99-D102 VanDerWaalsContact OG-CG 3.24Å; S99-D102 PolarHBondContact OG-N 3Å; S99-D102 PolarHBondContact OG-OD2 3.17Å; D102-F105 PolarHBondContact O-N 2.9Å; D102-N106 WeakPolarHBondContact O-CB 3.36Å; D102-N106 PolarHBondContact O-N 3.06Å; D102-N106 PolarHBondContact O-ND2 3.02Å
103	I	94.2	Very high	94.9	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-45.8	175.4	-65.6	172	0	0	0	110.5	M7 L65 L91 V98 S99 E100 L101 F105 N106 L107 V110	M7-I103 HydrophobicContact CE-CD1 4.24Å; M7-I103 HydrophobicContact CE-CG2 4.4Å; M7-I103 HydrophobicContact SD-CD1 3.7Å; M7-I103 HydrophobicContact SD-CG2 3.87Å; L65-I103 HydrophobicContact CD1-CD1 3.73Å; L91-I103 HydrophobicContact CD1-CD1 4.27Å; V98-I103 HydrophobicContact CG2-CD1 3.86Å; V98-I103 HydrophobicContact CG2-CG1 3.67Å; S99-I103 PolarHBondContact O-N 2.95Å; E100-I103 PolarHBondContact O-N 3.25Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.45Å; I103-F105 PolarHBondContact O-N 3.3Å; I103-N106 CarbonylContact O-C 3.57Å; I103-N106 PolarHBondContact O-N 3.43Å; I103-L107 HydrophobicContact CG2-CD2 4.29Å; I103-L107 WeakPolarHBondContact O-CD2 3.36Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.46Å; I103-V110 HydrophobicContact CB-CG2 4.37Å; I103-V110 HydrophobicContact CG1-CG2 4.39Å; I103-V110 HydrophobicContact CG2-CG1 4.42Å; I103-V110 HydrophobicContact CG2-CG2 4.06Å
104	M	93.6	Very high	95	Very high	82 Å²	82	61 Å²	61	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-35	-179.5	-73.4	-175.8	68	0	0	113.4	R15 E100 L101	R15-M104 PolarHBondContact NE-SD 3.45Å; R15-M104 VanDerWaalsContact NE-SD 3.45Å; E100-M104 HydrophobicContact CG-SD 4.32Å; E100-M104 WeakPolarHBondContact O-CG 3.4Å; E100-M104 PolarHBondContact O-N 2.96Å; E100-M104 VanDerWaalsContact O-N 3.08Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å
105	F	94.5	Very high	95	Very high	156 Å²	156	62 Å²	62	68%	0.684	31%	0.31	S	S	*	.	H	α-helix	trans	-79.9	-20.7	178.7	-83.8	-75.9	0	0	0	113.5	L101 D102 I103	L101-F105 HydrophobicContact CD1-CE2 4.2Å; L101-F105 HydrophobicContact CD2-CD2 3.38Å; L101-F105 HydrophobicContact CD2-CE2 3.44Å; L101-F105 VanDerWaalsContact CD2-CE2 3.44Å; L101-F105 HydrophobicContact CG-CD2 3.73Å; L101-F105 HydrophobicContact CG-CE2 3.62Å; L101-F105 VanDerWaalsContact O-CD2 3.28Å; L101-F105 WeakPolarHBondContact O-CD2 3.41Å; L101-F105 PolarHBondContact O-N 3.23Å; D102-F105 PolarHBondContact O-N 2.9Å; I103-F105 PolarHBondContact O-N 3.3Å
106	N	94.7	Very high	95.1	Very high	43 Å²	43	63.8 Å²	63.8	23%	0.23	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	41.3	-174.6	-60.3	-85.8	0	0	0	111.8	F95 D102 I103 D108 K109 V110	F95-N106 HydrophobicContact CE1-CB 3.75Å; F95-N106 HydrophobicContact CZ-CB 3.72Å; D102-N106 WeakPolarHBondContact O-CB 3.36Å; D102-N106 PolarHBondContact O-N 3.06Å; D102-N106 PolarHBondContact O-ND2 3.02Å; I103-N106 CarbonylContact O-C 3.57Å; I103-N106 PolarHBondContact O-N 3.43Å; N106-D108 VanDerWaalsContact C-N 3.26Å; N106-D108 PolarHBondContact O-N 3.45Å; N106-K109 HydrophobicContact CB-CB 4.24Å; N106-K109 HydrophobicContact CB-CD 3.99Å; N106-K109 WeakPolarHBondContact O-CB 3.28Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-V110 WeakPolarHBondContact O-CG2 3.16Å; N106-V110 PolarHBondContact O-N 3.17Å
107	L	95.4	Very high	95.4	Very high	62 Å²	62	59 Å²	59	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-36.1	-175	-76.7	172.5	0	0	0	113.2	R15 I103 V110 H111	R15-L107 WeakPolarHBondContact O-CD2 3.5Å; I103-L107 HydrophobicContact CG2-CD2 4.29Å; I103-L107 WeakPolarHBondContact O-CD2 3.36Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.46Å; L107-V110 PolarHBondContact O-N 3.3Å; L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-CD2 2.7Å; L107-H111 PolarHBondContact O-N 3.47Å
108	D	94.9	Very high	95.7	Very high	101 Å²	101	48.9 Å²	48.9	54%	0.54	25%	0.248	S	C	.	.	H	α-helix	trans	-56.9	-47.9	172.8	51.7	-51.2	0	0	0	111.5	N106 H111 I112	N106-D108 VanDerWaalsContact C-N 3.26Å; N106-D108 PolarHBondContact O-N 3.45Å; D108-H111 PolarHBondContact O-N 3.41Å; D108-I112 VanDerWaalsContact O-CG1 3.3Å; D108-I112 WeakPolarHBondContact O-CG1 3.46Å; D108-I112 PolarHBondContact O-N 3.17Å
109	K	96	Very high	95.8	Very high	49 Å²	49	51.5 Å²	51.5	21%	0.213	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-40.3	176.5	-65.5	169.3	161.4	-155.7	0	112	Y94 N106 H111 I112 I113 L135 D139	Y94-K109 HydrophobicContact CE1-CB 4.14Å; Y94-K109 HydrophobicContact CE1-CD 3.98Å; Y94-K109 VanDerWaalsContact OH-CD 3.27Å; Y94-K109 WeakPolarHBondContact OH-CD 3.21Å; Y94-K109 VanDerWaalsContact OH-CE 3.27Å; Y94-K109 WeakPolarHBondContact OH-CE 3.49Å; Y94-K109 PolarHBondContact OH-NZ 2.97Å; N106-K109 HydrophobicContact CB-CB 4.24Å; N106-K109 HydrophobicContact CB-CD 3.99Å; N106-K109 WeakPolarHBondContact O-CB 3.28Å; N106-K109 PolarHBondContact O-N 3.01Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 3.08Å; K109-I112 PolarHBondContact O-N 2.87Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 3.1Å; K109-L135 HydrophobicContact CB-CD2 4.04Å; K109-D139 VanDerWaalsContact CE-OD1 3.3Å; K109-D139 WeakPolarHBondContact CE-OD1 3.28Å; K109-D139 IonicContact NZ-OD1 2.77Å; K109-D139 PolarHBondContact NZ-OD1 2.59Å; K109-D139 IonicContact NZ-OD2 3.71Å
110	V	97.4	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175.9	177.5	0	0	0	0	111.2	L16 F87 L91 F95 I103 N106 L107 I113 L114	L16-V110 HydrophobicContact CD1-CG1 4Å; L16-V110 HydrophobicContact CD2-CG1 3.89Å; F87-V110 HydrophobicContact CZ-CG1 4.09Å; L91-V110 HydrophobicContact CD2-CB 4.49Å; L91-V110 HydrophobicContact CD2-CG1 4.2Å; L91-V110 HydrophobicContact CD2-CG2 4.05Å; F95-V110 HydrophobicContact CE2-CG2 4.11Å; F95-V110 HydrophobicContact CZ-CG2 4.19Å; I103-V110 HydrophobicContact CB-CG2 4.37Å; I103-V110 HydrophobicContact CG1-CG2 4.39Å; I103-V110 HydrophobicContact CG2-CG1 4.42Å; I103-V110 HydrophobicContact CG2-CG2 4.06Å; N106-V110 WeakPolarHBondContact O-CG2 3.16Å; N106-V110 PolarHBondContact O-N 3.17Å; L107-V110 PolarHBondContact O-N 3.3Å; V110-I113 PolarHBondContact O-N 3.16Å; V110-L114 PolarHBondContact O-N 2.96Å
111	H	97.1	Very high	96.1	Very high	60 Å²	60	53.7 Å²	53.7	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-41.5	174	-87.3	-65.5	0	0	0	112.1	L16 L107 D108 K109 L114 D115	L16-H111 WeakPolarHBondContact CD1-CE1 3.41Å; L16-H111 WeakPolarHBondContact CD1-NE2 3.3Å; L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-CD2 2.7Å; L107-H111 PolarHBondContact O-N 3.47Å; D108-H111 PolarHBondContact O-N 3.41Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 3.08Å; H111-L114 PolarHBondContact O-N 2.98Å; H111-D115 WeakPolarHBondContact O-CB 3.5Å; H111-D115 VanDerWaalsContact O-CG 3.26Å; H111-D115 PolarHBondContact O-N 2.95Å
112	I	96.8	Very high	96.3	Very high	55 Å²	55	51.8 Å²	51.8	28%	0.282	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.6	-64.6	163	0	0	0	110.1	D108 K109 L114 D115 E116 L135 L138	D108-I112 VanDerWaalsContact O-CG1 3.3Å; D108-I112 WeakPolarHBondContact O-CG1 3.46Å; D108-I112 PolarHBondContact O-N 3.17Å; K109-I112 PolarHBondContact O-N 2.87Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.11Å; I112-D115 PolarHBondContact O-N 2.76Å; I112-E116 HydrophobicContact CG2-CG 4.47Å; I112-E116 WeakPolarHBondContact O-CG 3.14Å; I112-E116 PolarHBondContact O-N 3.38Å; I112-L135 HydrophobicContact CB-CD1 4.31Å; I112-L135 HydrophobicContact CG2-CD1 3.57Å; I112-L135 HydrophobicContact CG2-CG 4.08Å; I112-L138 HydrophobicContact CD1-CD1 4.2Å
113	I	97.9	Very high	96.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-46.5	176.5	-70.3	168.1	0	0	0	111	F87 V90 L91 Y94 K109 V110 D115 E116 M117 I131 L132 L135	F87-I113 HydrophobicContact CD2-CG2 4.2Å; F87-I113 HydrophobicContact CE2-CG2 4.01Å; V90-I113 HydrophobicContact CB-CG2 4.34Å; V90-I113 HydrophobicContact CG1-CD1 4.49Å; V90-I113 HydrophobicContact CG1-CG2 3.55Å; L91-I113 HydrophobicContact CD2-CD1 3.77Å; L91-I113 HydrophobicContact CD2-CG2 4.46Å; Y94-I113 HydrophobicContact CD1-CD1 4.07Å; Y94-I113 HydrophobicContact CG-CD1 4.12Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 3.1Å; V110-I113 PolarHBondContact O-N 3.16Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-D115 PolarHBondContact O-N 2.81Å; I113-E116 PolarHBondContact O-N 3.06Å; I113-M117 HydrophobicContact CG2-SD 4.23Å; I113-M117 WeakPolarHBondContact O-CG 3.42Å; I113-M117 PolarHBondContact O-N 3.48Å; I113-I131 HydrophobicContact CG2-CG2 4.06Å; I113-L132 HydrophobicContact CD1-CD2 4.35Å; I113-L132 HydrophobicContact CG1-CD2 4.46Å; I113-L135 HydrophobicContact CD1-CD2 3.87Å; I113-L135 HydrophobicContact CG1-CD1 3.81Å; I113-L135 HydrophobicContact CG1-CD2 3.64Å; I113-L135 HydrophobicContact CG1-CG 4.4Å
114	L	98.2	Very high	96.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-39.5	179.1	-177	60.5	0	0	0	112	F5 L16 K18 F87 V110 H111 I112 M117 V118	F5-L114 HydrophobicContact CB-CD2 4.2Å; F5-L114 HydrophobicContact CD1-CD1 4.35Å; F5-L114 HydrophobicContact CD1-CD2 3.96Å; F5-L114 HydrophobicContact CD2-CD1 4.07Å; F5-L114 HydrophobicContact CE1-CD1 4.47Å; F5-L114 HydrophobicContact CE2-CD1 4.2Å; F5-L114 HydrophobicContact CG-CD1 4.15Å; F5-L114 HydrophobicContact CG-CD2 4.1Å; F5-L114 HydrophobicContact CZ-CD1 4.38Å; L16-L114 HydrophobicContact CD2-CD2 3.92Å; K18-L114 HydrophobicContact CB-CD2 3.8Å; K18-L114 HydrophobicContact CG-CD2 4.17Å; F87-L114 HydrophobicContact CD2-CD1 4.18Å; F87-L114 HydrophobicContact CE2-CB 3.91Å; F87-L114 HydrophobicContact CE2-CD1 4.05Å; V110-L114 PolarHBondContact O-N 2.96Å; H111-L114 PolarHBondContact O-N 2.98Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.11Å; L114-M117 PolarHBondContact O-N 3.39Å; L114-M117 VanDerWaalsContact O-N 3.17Å; L114-V118 HydrophobicContact CD1-CG2 4.17Å; L114-V118 PolarHBondContact O-N 2.97Å
115	D	97.5	Very high	96.9	Very high	52 Å²	52	54 Å²	54	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-71.5	-30.3	-179.2	-73.9	-1	0	0	0	112.3	K18 H111 I112 I113 M117 L119	K18-D115 WeakPolarHBondContact CE-OD1 3.46Å; K18-D115 IonicContact NZ-OD1 3.97Å; K18-D115 PolarHBondContact NZ-OD1 3.16Å; K18-D115 IonicContact NZ-OD2 3.58Å; K18-D115 PolarHBondContact NZ-OD2 3.12Å; H111-D115 WeakPolarHBondContact O-CB 3.5Å; H111-D115 VanDerWaalsContact O-CG 3.26Å; H111-D115 PolarHBondContact O-N 2.95Å; I112-D115 PolarHBondContact O-N 2.76Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-D115 PolarHBondContact O-N 2.81Å; D115-M117 VanDerWaalsContact C-N 3.29Å; D115-L119 VanDerWaalsContact O-CD2 3.27Å; D115-L119 WeakPolarHBondContact O-CD2 3.16Å
116	E	97.8	Very high	97	Very high	75 Å²	75	50.5 Å²	50.5	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-31.5	169	-72.9	-60.7	135.6	0	0	112	I112 I113 V124 E125 I131 P134	I112-E116 HydrophobicContact CG2-CG 4.47Å; I112-E116 WeakPolarHBondContact O-CG 3.14Å; I112-E116 PolarHBondContact O-N 3.38Å; I113-E116 PolarHBondContact O-N 3.06Å; E116-V124 WeakPolarHBondContact O-CG2 3.45Å; E116-E125 WeakPolarHBondContact O-CB 3.38Å; E116-I131 HydrophobicContact CB-CG2 4Å; E116-P134 HydrophobicContact CG-CG 4.48Å
117	M	98.5	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-85.9	-34.5	-179	-68.8	-177.8	83.6	0	0	113.5	F83 N86 F87 V90 I113 L114 D115 I123 V124 I131	F83-M117 HydrophobicContact CD2-CE 4.29Å; F83-M117 HydrophobicContact CE2-CB 4Å; F83-M117 HydrophobicContact CE2-CE 3.63Å; F83-M117 HydrophobicContact CZ-CB 3.99Å; F83-M117 HydrophobicContact CZ-CE 4.13Å; N86-M117 HydrophobicContact CB-CE 4.28Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; F87-M117 HydrophobicContact CB-CE 4.05Å; F87-M117 HydrophobicContact CB-SD 4.04Å; F87-M117 HydrophobicContact CD2-SD 3.68Å; F87-M117 HydrophobicContact CG-SD 4.36Å; V90-M117 HydrophobicContact CG2-CE 4.42Å; V90-M117 HydrophobicContact CG2-SD 4.34Å; I113-M117 HydrophobicContact CG2-SD 4.23Å; I113-M117 WeakPolarHBondContact O-CG 3.42Å; I113-M117 PolarHBondContact O-N 3.48Å; L114-M117 PolarHBondContact O-N 3.39Å; L114-M117 VanDerWaalsContact O-N 3.17Å; D115-M117 VanDerWaalsContact C-N 3.29Å; M117-I123 WeakPolarHBondContact O-CA 3.34Å; M117-V124 PolarHBondContact O-N 2.92Å; M117-I131 HydrophobicContact CE-CD1 3.99Å; M117-I131 HydrophobicContact CG-CD1 3.51Å; M117-I131 HydrophobicContact CG-CG1 3.88Å; M117-I131 HydrophobicContact CG-CG2 3.95Å; M117-I131 HydrophobicContact SD-CD1 4.03Å; M117-I131 HydrophobicContact SD-CG2 4.49Å
118	V	98.2	Very high	97.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.9	-173	-172	0	0	0	0	111.4	I2 Y20 F83 L114 C122	I2-V118 HydrophobicContact CD1-CG1 4.04Å; I2-V118 HydrophobicContact CD1-CG2 4.27Å; Y20-V118 HydrophobicContact CD1-CG1 4.46Å; Y20-V118 HydrophobicContact CE1-CB 4.3Å; Y20-V118 HydrophobicContact CE1-CG1 3.7Å; Y20-V118 HydrophobicContact CE2-CG1 3.84Å; Y20-V118 VanDerWaalsContact OH-CB 3.32Å; Y20-V118 WeakPolarHBondContact OH-CB 3.5Å; Y20-V118 WeakPolarHBondContact OH-CG1 3.33Å; F83-V118 HydrophobicContact CE1-CG2 3.79Å; F83-V118 HydrophobicContact CE2-CG2 4.03Å; F83-V118 HydrophobicContact CZ-CG2 3.23Å; L114-V118 HydrophobicContact CD1-CG2 4.17Å; L114-V118 PolarHBondContact O-N 2.97Å; V118-C122 VanDerWaalsContact CA-O 3.31Å; V118-C122 WeakPolarHBondContact CA-O 3.48Å; V118-C122 WeakPolarHBondContact CG1-O 3.5Å
119	L	96.5	Very high	97.3	Very high	92 Å²	92	52.3 Å²	52.3	48%	0.482	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	174.3	-67.3	175.8	0	0	0	110	D115 G121 C122 V124	D115-L119 VanDerWaalsContact O-CD2 3.27Å; D115-L119 WeakPolarHBondContact O-CD2 3.16Å; L119-G121 PolarHBondContact O-N 3.12Å; L119-G121 VanDerWaalsContact O-N 3.12Å; L119-C122 PolarHBondContact N-O 3.48Å; L119-C122 PolarHBondContact O-N 3.36Å; L119-V124 HydrophobicContact CB-CG1 3.98Å; L119-V124 HydrophobicContact CB-CG2 4.25Å; L119-V124 HydrophobicContact CD1-CG1 4.4Å; L119-V124 HydrophobicContact CD1-CG2 3.98Å; L119-V124 HydrophobicContact CG-CG1 4.43Å; L119-V124 HydrophobicContact CG-CG2 3.88Å
120	N	95.6	Very high	97.4	Very high	143 Å²	143	57.8 Å²	57.8	77%	0.765	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	38	179.7	-60.9	-32.8	0	0	0	113.5	C122	N120-C122 VanDerWaalsContact C-N 3.27Å; N120-C122 PolarHBondContact O-N 3.26Å
121	G	96.6	Very high	97.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	10	179.7	0	0	0	0	0	115	M1 I2 L119	M1-G121 WeakPolarHBondContact CG-O 3.37Å; I2-G121 WeakPolarHBondContact CB-O 3.36Å; I2-G121 PolarHBondContact N-O 3.08Å; I2-G121 VanDerWaalsContact O-CA 3.29Å; I2-G121 WeakPolarHBondContact O-CA 3.47Å; L119-G121 PolarHBondContact O-N 3.12Å; L119-G121 VanDerWaalsContact O-N 3.12Å
122	C	97.1	Very high	97.5	Very high	64 Å²	64	55.3 Å²	55.3	43%	0.432	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.1	176.8	-66	0	0	0	0	110.6	V118 L119 N120 V124	V118-C122 VanDerWaalsContact CA-O 3.31Å; V118-C122 WeakPolarHBondContact CA-O 3.48Å; V118-C122 WeakPolarHBondContact CG1-O 3.5Å; L119-C122 PolarHBondContact N-O 3.48Å; L119-C122 PolarHBondContact O-N 3.36Å; N120-C122 VanDerWaalsContact C-N 3.27Å; N120-C122 PolarHBondContact O-N 3.26Å; C122-V124 PolarHBondContact O-N 3.02Å
123	I	97.6	Very high	97.5	Very high	62 Å²	62	54.8 Å²	54.8	32%	0.318	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123	172.5	-60.1	166.7	0	0	0	108	I2 I80 F83 M117 T126	I2-I123 HydrophobicContact CD1-CG1 4.07Å; I80-I123 HydrophobicContact CD1-CD1 4.14Å; F83-I123 HydrophobicContact CB-CD1 3.86Å; F83-I123 HydrophobicContact CD1-CD1 4.23Å; F83-I123 HydrophobicContact CD2-CB 4.48Å; F83-I123 HydrophobicContact CD2-CD1 3.57Å; F83-I123 HydrophobicContact CD2-CG1 3.77Å; F83-I123 HydrophobicContact CD2-CG2 3.87Å; F83-I123 HydrophobicContact CE2-CB 4.48Å; F83-I123 HydrophobicContact CE2-CD1 4.23Å; F83-I123 HydrophobicContact CE2-CG1 3.91Å; F83-I123 HydrophobicContact CE2-CG2 3.88Å; F83-I123 HydrophobicContact CG-CD1 3.59Å; F83-I123 HydrophobicContact CG-CG1 4.11Å; F83-I123 HydrophobicContact CZ-CG1 4.39Å; M117-I123 WeakPolarHBondContact O-CA 3.34Å; I123-T126 HydrophobicContact CG2-CG2 3.73Å
124	V	97.8	Very high	97.3	Very high	77 Å²	77	56.7 Å²	56.7	47%	0.467	31%	0.306	S	S	.	.			trans	-115.1	-29	-174.5	-67.6	0	0	0	0	113.9	E116 M117 L119 C122	E116-V124 WeakPolarHBondContact O-CG2 3.45Å; M117-V124 PolarHBondContact O-N 2.92Å; L119-V124 HydrophobicContact CB-CG1 3.98Å; L119-V124 HydrophobicContact CB-CG2 4.25Å; L119-V124 HydrophobicContact CD1-CG1 4.4Å; L119-V124 HydrophobicContact CD1-CG2 3.98Å; L119-V124 HydrophobicContact CG-CG1 4.43Å; L119-V124 HydrophobicContact CG-CG2 3.88Å; C122-V124 PolarHBondContact O-N 3.02Å
125	E	98.2	Very high	97.2	Very high	41 Å²	41	56.8 Å²	56.8	19%	0.192	31%	0.306	C	S	.	.			trans	-140.5	138.6	177.3	-173.9	55.9	-92.1	0	0	109.9	E116 N127 R130 I131	E116-E125 WeakPolarHBondContact O-CB 3.38Å; E125-N127 WeakPolarHBondContact OE1-CB 3.37Å; E125-N127 PolarHBondContact OE1-N 3.45Å; E125-R130 HydrophobicContact CG-CB 4.06Å; E125-R130 WeakPolarHBondContact OE2-CD 3.49Å; E125-R130 IonicContact OE2-NH1 3.99Å; E125-R130 PolarHBondContact OE2-NH1 3.12Å; E125-I131 HydrophobicContact CB-CG1 4.2Å; E125-I131 HydrophobicContact CG-CD1 4.33Å; E125-I131 HydrophobicContact CG-CG1 3.66Å
126	T	97.8	Very high	97	Very high	83 Å²	83	58.8 Å²	58.8	51%	0.509	32%	0.317	S	S	.	.			trans	-127.9	-11.8	179.7	58.1	0	0	0	0	112.1	N86 I123 R128	N86-T126 PolarHBondContact ND2-O 2.77Å; I123-T126 HydrophobicContact CG2-CG2 3.73Å; T126-R128 PolarHBondContact O-N 2.73Å
127	N	98	Very high	96.8	Very high	76 Å²	76	59.8 Å²	59.8	41%	0.406	32%	0.323	S	S	.	.			trans	-77.5	110.8	176.3	-172.2	-62.7	0	0	0	111	E125 A129 R130 I131	E125-N127 WeakPolarHBondContact OE1-CB 3.37Å; E125-N127 PolarHBondContact OE1-N 3.45Å; N127-A129 VanDerWaalsContact C-N 3.28Å; N127-A129 PolarHBondContact O-N 2.99Å; N127-A129 WeakPolarHBondContact OD1-CB 3.46Å; N127-A129 PolarHBondContact OD1-N 3.05Å; N127-R130 HydrophobicContact CB-CB 4.3Å; N127-R130 HydrophobicContact CB-CG 4.3Å; N127-R130 PolarHBondContact O-N 3.45Å; N127-R130 PolarHBondContact OD1-N 3.37Å; N127-I131 WeakPolarHBondContact O-CG1 3.31Å; N127-I131 PolarHBondContact O-N 3.09Å
128	R	96.8	Very high	96.5	Very high	100 Å²	100	64 Å²	64	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-51.5	-42.5	-179.3	-55.3	-172.4	-75.6	-151.3	-15.1	113.8	E89 V90 E93 T126 R130 I131 L132	E89-R128 IonicContact OE2-CZ 2.7Å; E89-R128 IonicContact OE2-NH1 3.52Å; E89-R128 PolarHBondContact OE2-NH1 3.25Å; V90-R128 HydrophobicContact CG2-CB 4.08Å; V90-R128 HydrophobicContact CG2-CG 3.65Å; E93-R128 WeakPolarHBondContact OE2-CD 3.33Å; E93-R128 IonicContact OE2-NE 2.91Å; T126-R128 PolarHBondContact O-N 2.73Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.27Å; R128-I131 PolarHBondContact O-N 2.91Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 WeakPolarHBondContact O-CG 3.49Å; R128-L132 PolarHBondContact O-N 3.26Å
129	A	96.6	Very high	96.2	Very high	68 Å²	68	65.4 Å²	65.4	56%	0.562	35%	0.353	S	S	*	.	H	α-helix	trans	-65.2	-33.9	-179.2	0	0	0	0	0	112.5	N127 A133	N127-A129 VanDerWaalsContact C-N 3.28Å; N127-A129 PolarHBondContact O-N 2.99Å; N127-A129 WeakPolarHBondContact OD1-CB 3.46Å; N127-A129 PolarHBondContact OD1-N 3.05Å; A129-A133 WeakPolarHBondContact O-CB 3.27Å; A129-A133 PolarHBondContact O-N 2.99Å
130	R	97.6	Very high	95.9	Very high	164 Å²	164	68.2 Å²	68.2	62%	0.619	36%	0.362	S	S	*	.	H	α-helix	trans	-75.6	-41.8	175.5	-70.9	-177.1	173.1	179.7	-1.9	112	E125 N127 R128 L132 A133 P134	E125-R130 HydrophobicContact CG-CB 4.06Å; E125-R130 WeakPolarHBondContact OE2-CD 3.49Å; E125-R130 IonicContact OE2-NH1 3.99Å; E125-R130 PolarHBondContact OE2-NH1 3.12Å; N127-R130 HydrophobicContact CB-CB 4.3Å; N127-R130 HydrophobicContact CB-CG 4.3Å; N127-R130 PolarHBondContact O-N 3.45Å; N127-R130 PolarHBondContact OD1-N 3.37Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.27Å; R130-L132 VanDerWaalsContact C-N 3.26Å; R130-L132 PolarHBondContact O-N 2.92Å; R130-A133 PolarHBondContact O-N 2.77Å; R130-P134 VanDerWaalsContact O-CD 3.3Å; R130-P134 WeakPolarHBondContact O-CD 3.43Å
131	I	98.1	Very high	95.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-40.5	177.4	-63.8	158.6	0	0	0	110.8	V90 I113 E116 M117 E125 N127 R128 P134	V90-I131 HydrophobicContact CG1-CB 4.43Å; V90-I131 HydrophobicContact CG1-CG2 3.75Å; V90-I131 HydrophobicContact CG2-CD1 3.98Å; I113-I131 HydrophobicContact CG2-CG2 4.06Å; E116-I131 HydrophobicContact CB-CG2 4Å; M117-I131 HydrophobicContact CE-CD1 3.99Å; M117-I131 HydrophobicContact CG-CD1 3.51Å; M117-I131 HydrophobicContact CG-CG1 3.88Å; M117-I131 HydrophobicContact CG-CG2 3.95Å; M117-I131 HydrophobicContact SD-CD1 4.03Å; M117-I131 HydrophobicContact SD-CG2 4.49Å; E125-I131 HydrophobicContact CB-CG1 4.2Å; E125-I131 HydrophobicContact CG-CD1 4.33Å; E125-I131 HydrophobicContact CG-CG1 3.66Å; N127-I131 WeakPolarHBondContact O-CG1 3.31Å; N127-I131 PolarHBondContact O-N 3.09Å; R128-I131 PolarHBondContact O-N 2.91Å; I131-P134 WeakPolarHBondContact O-CD 3.41Å
132	L	97.6	Very high	95.1	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-83.6	-17.3	-177.9	-64.5	178.6	0	0	0	114	V90 E93 Y94 I113 R128 R130 L135 L136	V90-L132 HydrophobicContact CG1-CD2 3.63Å; V90-L132 HydrophobicContact CG1-CG 4.04Å; E93-L132 HydrophobicContact CB-CD1 4.14Å; E93-L132 HydrophobicContact CG-CD1 3.78Å; Y94-L132 HydrophobicContact CD2-CD2 3.91Å; Y94-L132 HydrophobicContact CG-CD2 4.13Å; I113-L132 HydrophobicContact CD1-CD2 4.35Å; I113-L132 HydrophobicContact CG1-CD2 4.46Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 WeakPolarHBondContact O-CG 3.49Å; R128-L132 PolarHBondContact O-N 3.26Å; R130-L132 VanDerWaalsContact C-N 3.26Å; R130-L132 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.2Å; L132-L136 HydrophobicContact CB-CD1 4.5Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.71Å
133	A	96.6	Very high	94.1	Very high	43 Å²	43	76.5 Å²	76.5	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-57.3	-44.1	-175.3	0	0	0	0	0	113.7	A129 R130 I137	A129-A133 WeakPolarHBondContact O-CB 3.27Å; A129-A133 PolarHBondContact O-N 2.99Å; R130-A133 PolarHBondContact O-N 2.77Å; A133-I137 WeakPolarHBondContact O-CG1 3.5Å; A133-I137 PolarHBondContact O-N 2.93Å
134	P	94.8	Very high	92.2	Very high	40 Å²	40	80.8 Å²	80.8	26%	0.26	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176	-22	34.2	0	0	0	113.1	E116 R130 I131 I137 L138	E116-P134 HydrophobicContact CG-CG 4.48Å; R130-P134 VanDerWaalsContact O-CD 3.3Å; R130-P134 WeakPolarHBondContact O-CD 3.43Å; I131-P134 WeakPolarHBondContact O-CD 3.41Å; P134-I137 PolarHBondContact O-N 2.93Å; P134-L138 WeakPolarHBondContact O-CG 3.27Å; P134-L138 PolarHBondContact O-N 2.98Å
135	L	94.8	Very high	91.9	Very high	2 Å²	2	81 Å²	81	1%	0.01	43%	0.434	C	S	.	.	H	α-helix	trans	-64.3	-43	179.4	-79.3	91.2	0	0	0	111.8	Y94 K109 I112 I113 L132 I137 L138 D139	Y94-L135 HydrophobicContact CD1-CD2 4.42Å; Y94-L135 HydrophobicContact CD2-CB 4.4Å; Y94-L135 HydrophobicContact CD2-CD2 4.14Å; Y94-L135 HydrophobicContact CE1-CD2 4.01Å; Y94-L135 HydrophobicContact CE2-CB 3.79Å; Y94-L135 HydrophobicContact CE2-CD2 3.7Å; Y94-L135 HydrophobicContact CE2-CG 4.42Å; Y94-L135 HydrophobicContact CG-CD2 4.49Å; K109-L135 HydrophobicContact CB-CD2 4.04Å; I112-L135 HydrophobicContact CB-CD1 4.31Å; I112-L135 HydrophobicContact CG2-CD1 3.57Å; I112-L135 HydrophobicContact CG2-CG 4.08Å; I113-L135 HydrophobicContact CD1-CD2 3.87Å; I113-L135 HydrophobicContact CG1-CD1 3.81Å; I113-L135 HydrophobicContact CG1-CD2 3.64Å; I113-L135 HydrophobicContact CG1-CG 4.4Å; L132-L135 PolarHBondContact O-N 3.2Å; L135-I137 PolarHBondContact O-N 3.32Å; L135-L138 WeakPolarHBondContact O-CB 3.26Å; L135-L138 PolarHBondContact O-N 2.9Å; L135-L138 VanDerWaalsContact O-N 3.11Å; L135-D139 PolarHBondContact O-N 3.02Å
136	L	93.3	Very high	91.5	Very high	95 Å²	95	83.1 Å²	83.1	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-27.8	178.1	-67.4	173.5	0	0	0	112.8	L132 K140	L132-L136 HydrophobicContact CB-CD1 4.5Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.71Å; L136-K140 WeakPolarHBondContact O-CG 3.41Å; L136-K140 PolarHBondContact O-N 2.62Å
137	I	93.9	Very high	91.2	Very high	95 Å²	95	83.1 Å²	83.1	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-75.2	-44.7	173.5	-65.3	166.2	0	0	0	110.1	A133 P134 L135 D139 K140 M141	A133-I137 WeakPolarHBondContact O-CG1 3.5Å; A133-I137 PolarHBondContact O-N 2.93Å; P134-I137 PolarHBondContact O-N 2.93Å; L135-I137 PolarHBondContact O-N 3.32Å; I137-D139 PolarHBondContact O-N 2.98Å; I137-K140 PolarHBondContact O-N 3.47Å; I137-M141 HydrophobicContact CG2-CE 3.7Å; I137-M141 HydrophobicContact CG2-SD 4.31Å; I137-M141 WeakPolarHBondContact O-CG 3.27Å; I137-M141 PolarHBondContact O-N 3.48Å; I137-M141 VanDerWaalsContact O-N 3.08Å
138	L	92.6	Very high	90.8	Very high	90 Å²	90	83.5 Å²	83.5	47%	0.471	45%	0.446	S	S	.	.	H	α-helix	trans	-59.3	-44.9	177.3	-76	162.9	0	0	0	111.9	I112 P134 L135 K140 M141 S142	I112-L138 HydrophobicContact CD1-CD1 4.2Å; P134-L138 WeakPolarHBondContact O-CG 3.27Å; P134-L138 PolarHBondContact O-N 2.98Å; L135-L138 WeakPolarHBondContact O-CB 3.26Å; L135-L138 PolarHBondContact O-N 2.9Å; L135-L138 VanDerWaalsContact O-N 3.11Å; L138-K140 PolarHBondContact O-N 3.3Å; L138-M141 PolarHBondContact O-N 3.18Å; L138-S142 PolarHBondContact O-N 3Å
139	D	91.7	Very high	90.4	Very high	30 Å²	30	82.5 Å²	82.5	16%	0.16	45%	0.45	C	S	.	.	H	α-helix	trans	-60.9	-46	178.8	-72.6	-34.9	0	0	0	111.1	Y94 K109 L135 I137 M141 S142 E143	Y94-D139 VanDerWaalsContact CE2-OD2 3.31Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.31Å; Y94-D139 VanDerWaalsContact OH-CG 3.29Å; Y94-D139 PolarHBondContact OH-OD1 2.88Å; Y94-D139 PolarHBondContact OH-OD2 3.25Å; K109-D139 VanDerWaalsContact CE-OD1 3.3Å; K109-D139 WeakPolarHBondContact CE-OD1 3.28Å; K109-D139 IonicContact NZ-OD1 2.77Å; K109-D139 PolarHBondContact NZ-OD1 2.59Å; K109-D139 IonicContact NZ-OD2 3.71Å; L135-D139 PolarHBondContact O-N 3.02Å; I137-D139 PolarHBondContact O-N 2.98Å; D139-M141 VanDerWaalsContact C-N 3.28Å; D139-M141 PolarHBondContact O-N 3.39Å; D139-S142 PolarHBondContact O-N 3.14Å; D139-S142 VanDerWaalsContact O-N 3.08Å; D139-S142 PolarHBondContact O-OG 2.89Å; D139-E143 PolarHBondContact O-N 2.98Å
140	K	91.4	Very high	90	Very high	151 Å²	151	83.5 Å²	83.5	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-59.6	-36.9	175.4	-74.8	176.8	-177.8	-179.7	0	113.2	L136 I137 L138 S142 S144	L136-K140 WeakPolarHBondContact O-CG 3.41Å; L136-K140 PolarHBondContact O-N 2.62Å; I137-K140 PolarHBondContact O-N 3.47Å; L138-K140 PolarHBondContact O-N 3.3Å; K140-S142 VanDerWaalsContact C-N 3.35Å; K140-S144 PolarHBondContact O-OG 3Å
141	M	90.6	Very high	89.5	Confident	125 Å²	125	77.7 Å²	77.7	62%	0.616	43%	0.43	S	S	*	.	H	α-helix	trans	-70.7	-31.9	177	-70.9	-179.2	178.1	0	0	112.3	I137 L138 D139 E143 S144	I137-M141 HydrophobicContact CG2-CE 3.7Å; I137-M141 HydrophobicContact CG2-SD 4.31Å; I137-M141 WeakPolarHBondContact O-CG 3.27Å; I137-M141 PolarHBondContact O-N 3.48Å; I137-M141 VanDerWaalsContact O-N 3.08Å; L138-M141 PolarHBondContact O-N 3.18Å; D139-M141 VanDerWaalsContact C-N 3.28Å; D139-M141 PolarHBondContact O-N 3.39Å; M141-E143 VanDerWaalsContact C-N 3.35Å; M141-S144 WeakPolarHBondContact O-CB 3.23Å; M141-S144 PolarHBondContact O-N 3.21Å; M141-S144 PolarHBondContact O-OG 2.99Å
142	S	85	Confident	88.8	Confident	88 Å²	88	83.7 Å²	83.7	62%	0.615	46%	0.463	S	S	*	.	H	α-helix	trans	-75.3	-21.9	178.5	68.9	0	0	0	0	114.2	L138 D139 K140 S144	L138-S142 PolarHBondContact O-N 3Å; D139-S142 PolarHBondContact O-N 3.14Å; D139-S142 VanDerWaalsContact O-N 3.08Å; D139-S142 PolarHBondContact O-OG 2.89Å; K140-S142 VanDerWaalsContact C-N 3.35Å; S142-S144 VanDerWaalsContact C-N 3.28Å
143	E	75.2	Confident	88.1	Confident	168 Å²	168	89.9 Å²	89.9	79%	0.785	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.2	174.1	-67.4	178.5	172	0	0	113.3	D139 M141	D139-E143 PolarHBondContact O-N 2.98Å; M141-E143 VanDerWaalsContact C-N 3.35Å
144	S	56.9	Low	87.3	Confident	152 Å²	152	94.2 Å²	94.2	100%	1.063	51%	0.511	S	S	*	.			trans	-89.8	0	-179.6	-48	0	0	0	0	112.1	K140 M141 S142	K140-S144 PolarHBondContact O-OG 3Å; M141-S144 WeakPolarHBondContact O-CB 3.23Å; M141-S144 PolarHBondContact O-N 3.21Å; M141-S144 PolarHBondContact O-OG 2.99Å; S142-S144 VanDerWaalsContact C-N 3.28Å

Retrieved 144 of 144 residues in 1491.3 ms (Link to these results)

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