A0A087YBQ0_POEFO Loading...

Cytosolic arginine sensor for mTORC1 subunit 1

Functions as an intracellular arginine sensor within the amino acid-sensing branch of the TORC1 signaling pathway. As a homodimer or a heterodimer with CASTOR2, binds and inhibits the GATOR subcomplex GATOR2 and thereby mTORC1. Binding of arginine to CASTOR1 allosterically disrupts the interaction of CASTOR1-containing dimers with GATOR2 which can in turn activate mTORC1 and the TORC1 signaling pathway.

AlphaFold DB (A0A3B3V232), UniProt , Accession A0A087YBQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83	Confident	94	Very high	95 Å²	95	36.5 Å²	36.5	47%	0.468	17%	0.17	S	C	.	.				0	155	0	-77.5	176.6	-94.8	0	0	107	F143 N144	M1-F143 HydrophobicContact CB-CD1 3.61Å; M1-F143 HydrophobicContact CB-CE1 3.46Å; M1-F143 VanDerWaalsContact CB-CE1 3.46Å; M1-F143 HydrophobicContact CG-CE1 4.43Å; M1-F143 WeakPolarHBondContact O-CA 3.19Å; M1-F143 HydrophobicContact SD-CE1 4.25Å; M1-N144 PolarHBondContact O-N 2.98Å
2	D	90.2	Very high	94.3	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.6	-178	-60.3	-20.5	0	0	0	108.8	A82 N84 N144 F146	D2-A82 HydrophobicContact CB-CB 4.36Å; D2-A82 PolarHBondContact N-O 3.34Å; D2-A82 PolarHBondContact O-N 3.45Å; D2-N84 PolarHBondContact OD2-ND2 3.43Å; D2-N144 WeakPolarHBondContact CA-O 3.35Å; D2-N144 PolarHBondContact OD1-ND2 2.79Å; D2-N144 VanDerWaalsContact OD1-ND2 3.13Å; D2-F146 HydrophobicContact CB-CD2 4.09Å; D2-F146 HydrophobicContact CB-CE2 3.96Å
3	L	92.8	Very high	94.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.4	174.6	-177.8	74.7	0	0	0	108.2	L79 V81 L139 F143 N144 I145 F146	L3-L79 HydrophobicContact CD1-CB 4.19Å; L3-V81 HydrophobicContact CD1-CG2 3.74Å; L3-L139 HydrophobicContact CD2-CB 4.19Å; L3-L139 HydrophobicContact CD2-CD1 3.59Å; L3-F143 HydrophobicContact CB-CB 3.87Å; L3-F143 HydrophobicContact CB-CD1 4.16Å; L3-F143 HydrophobicContact CB-CG 4.17Å; L3-N144 PolarHBondContact N-O 2.89Å; L3-I145 HydrophobicContact CB-CG1 4.31Å; L3-I145 HydrophobicContact CD2-CD1 4.26Å; L3-I145 HydrophobicContact CD2-CG1 4.15Å; L3-I145 HydrophobicContact CD2-CG2 4.47Å; L3-I145 CarbonylContact O-C 3.59Å; L3-I145 WeakPolarHBondContact O-CA 3.47Å; L3-F146 PolarHBondContact O-N 2.8Å
4	Q	94	Very high	94.9	Very high	34 Å²	34	29 Å²	29	16%	0.159	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.8	-178.8	-67.5	174.9	-27.4	0	0	109.7	L6 L79 N80 F146 Y153	Q4-L6 HydrophobicContact CB-CD2 4.06Å; Q4-L79 CarbonylContact O-C 3.59Å; Q4-L79 WeakPolarHBondContact O-CA 3.32Å; Q4-N80 HydrophobicContact CB-CB 4.43Å; Q4-N80 PolarHBondContact N-O 2.94Å; Q4-N80 PolarHBondContact O-N 3.14Å; Q4-N80 PolarHBondContact OE1-ND2 3.41Å; Q4-F146 CarbonylContact C-O 3.55Å; Q4-F146 WeakPolarHBondContact CA-O 3.42Å; Q4-Y153 HydrophobicContact CB-CD1 4.43Å; Q4-Y153 HydrophobicContact CB-CE1 3.85Å; Q4-Y153 HydrophobicContact CG-CD1 3.99Å; Q4-Y153 HydrophobicContact CG-CE1 3.63Å
5	I	95.4	Very high	95.1	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.1	166	-55.5	159.1	0	0	0	106.2	L79 L132 I136 I145 F146 K147 E148 V156	I5-L79 HydrophobicContact CB-CD2 4.21Å; I5-L79 HydrophobicContact CG1-CD2 3.63Å; I5-L79 HydrophobicContact CG2-CD2 4.26Å; I5-L132 HydrophobicContact CD1-CD1 3.98Å; I5-L132 HydrophobicContact CG1-CD1 4.44Å; I5-I136 HydrophobicContact CD1-CD1 4.43Å; I5-I136 HydrophobicContact CD1-CG1 4.42Å; I5-I145 HydrophobicContact CD1-CG2 3.7Å; I5-I145 HydrophobicContact CG1-CG2 4.21Å; I5-F146 PolarHBondContact N-O 2.83Å; I5-K147 HydrophobicContact CB-CB 4.42Å; I5-K147 HydrophobicContact CB-CG 4.35Å; I5-K147 HydrophobicContact CG2-CG 4.48Å; I5-K147 WeakPolarHBondContact O-CA 3.49Å; I5-E148 PolarHBondContact O-N 3.17Å; I5-V156 HydrophobicContact CD1-CG2 4.31Å
6	L	94.6	Very high	95.2	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.068	14%	0.135	C	C	.	.			trans	-79.5	156.4	-175.3	-45.7	174.6	0	0	0	111.1	Q4 H8 P78 N80 F124 Y153	Q4-L6 HydrophobicContact CB-CD2 4.06Å; L6-H8 PolarHBondContact O-N 3.11Å; L6-P78 HydrophobicContact CB-CG 4.12Å; L6-P78 HydrophobicContact CD1-CB 4.4Å; L6-P78 HydrophobicContact CD1-CG 4.32Å; L6-P78 PolarHBondContact N-O 3.26Å; L6-P78 VanDerWaalsContact N-O 3.1Å; L6-N80 HydrophobicContact CD1-CB 4.26Å; L6-N80 HydrophobicContact CD2-CB 4.28Å; L6-N80 HydrophobicContact CG-CB 4.41Å; L6-F124 HydrophobicContact CD1-CD1 3.86Å; L6-F124 HydrophobicContact CD1-CE1 3.53Å; L6-Y153 HydrophobicContact CD2-CE1 4.49Å
7	D	93.7	Very high	95.2	Very high	86 Å²	86	28.8 Å²	28.8	46%	0.46	14%	0.139	S	C	.	.	S	Bend	trans	-82.3	52.1	-176.5	-162.6	17	0	0	0	112.4	E148 E150	D7-E148 HydrophobicContact CB-CB 4.14Å; D7-E148 HydrophobicContact CB-CG 4.11Å; D7-E148 WeakPolarHBondContact CB-O 3.32Å; D7-E148 PolarHBondContact N-OE2 3.17Å; D7-E150 PolarHBondContact OD2-N 3.34Å
8	H	95.7	Very high	95.1	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.056	18%	0.175	C	C	.	.			trans	-126.6	131.8	178.4	-62.8	-71.4	0	0	0	110.7	L6 L10 F41 P78 D238	L6-H8 PolarHBondContact O-N 3.11Å; H8-L10 HydrophobicContact CB-CD2 3.85Å; H8-L10 HydrophobicContact CB-CG 4.23Å; H8-F41 HydrophobicContact CB-CD2 4.41Å; H8-F41 AromaticContact CD2-CD2 3.94Å; H8-P78 HydrophobicContact CB-CG 3.8Å; H8-P78 WeakPolarHBondContact O-CD 3.49Å; H8-D238 IonicContact CD2-OD2 3.23Å; H8-D238 IonicContact CE1-OD1 3.26Å; H8-D238 PolarHBondContact CE1-OD1 3.34Å; H8-D238 IonicContact CE1-OD2 3.77Å; H8-D238 IonicContact NE2-OD1 3.87Å; H8-D238 IonicContact NE2-OD2 3.35Å; H8-D238 PolarHBondContact NE2-OD2 2.88Å
9	R	97.4	Very high	95.1	Very high	87 Å²	87	33.4 Å²	33.4	33%	0.328	17%	0.165	S	C	.	.			trans	-108.6	108.3	171.2	-65.1	-179	81.3	-132	4.1	108.1	D56 E57 I75 L77 E129	R9-D56 CarbonylContact O-C 3.57Å; R9-D56 VanDerWaalsContact O-CA 3.3Å; R9-D56 WeakPolarHBondContact O-CA 3.43Å; R9-E57 HydrophobicContact CB-CG 3.97Å; R9-E57 IonicContact CZ-OE1 2.87Å; R9-E57 IonicContact CZ-OE2 2.85Å; R9-E57 IonicContact NE-OE2 3.19Å; R9-E57 IonicContact NH1-OE1 2.75Å; R9-E57 PolarHBondContact NH1-OE1 3.29Å; R9-E57 IonicContact NH1-OE2 4Å; R9-E57 PolarHBondContact NH1-OE2 3.43Å; R9-E57 PolarHBondContact O-N 3.06Å; R9-I75 HydrophobicContact CB-CG2 3.83Å; R9-I75 HydrophobicContact CG-CG2 4.34Å; R9-L77 HydrophobicContact CG-CD2 4.12Å; R9-E129 IonicContact CZ-OE1 2.77Å; R9-E129 IonicContact CZ-OE2 3.71Å; R9-E129 IonicContact NE-OE1 2.84Å; R9-E129 PolarHBondContact NE-OE1 3.13Å; R9-E129 IonicContact NE-OE2 3.72Å; R9-E129 IonicContact NH2-OE1 3.74Å; R9-E129 PolarHBondContact NH2-OE1 2.75Å; R9-E129 IonicContact NH2-OE2 3.97Å; R9-E129 PolarHBondContact NH2-OE2 3.42Å
10	L	98.4	Very high	95	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	146.2	-166.9	-54.8	179.9	0	0	0	112.2	H8 F41 V54 L55 D56 W76 P78 L126	H8-L10 HydrophobicContact CB-CD2 3.85Å; H8-L10 HydrophobicContact CB-CG 4.23Å; L10-F41 HydrophobicContact CD1-CD1 3.95Å; L10-F41 HydrophobicContact CD1-CD2 4.14Å; L10-F41 HydrophobicContact CD1-CE1 3.68Å; L10-F41 HydrophobicContact CD1-CE2 3.88Å; L10-F41 HydrophobicContact CD1-CG 4.18Å; L10-F41 HydrophobicContact CD1-CZ 3.63Å; L10-F41 HydrophobicContact CD2-CB 3.6Å; L10-F41 HydrophobicContact CD2-CD1 3.53Å; L10-F41 HydrophobicContact CD2-CD2 3.96Å; L10-F41 HydrophobicContact CD2-CE1 4.15Å; L10-F41 HydrophobicContact CD2-CG 3.42Å; L10-F41 VanDerWaalsContact CD2-CG 3.42Å; L10-F41 HydrophobicContact CG-CD1 4.4Å; L10-F41 HydrophobicContact CG-CG 4.45Å; L10-V54 HydrophobicContact CB-CG1 4.4Å; L10-V54 HydrophobicContact CD1-CG1 4.21Å; L10-L55 CarbonylContact C-O 3.47Å; L10-L55 WeakPolarHBondContact CA-O 3.46Å; L10-D56 HydrophobicContact CD2-CB 4.04Å; L10-W76 HydrophobicContact CB-CB 4.18Å; L10-W76 WeakPolarHBondContact CB-O 3.36Å; L10-W76 PolarHBondContact N-O 3.16Å; L10-W76 PolarHBondContact O-N 2.69Å; L10-P78 HydrophobicContact CD1-CB 3.96Å; L10-P78 HydrophobicContact CD1-CG 3.76Å; L10-P78 HydrophobicContact CG-CG 4.34Å; L10-L126 HydrophobicContact CB-CD2 4.46Å; L10-L126 HydrophobicContact CD1-CD1 4.39Å; L10-L126 HydrophobicContact CD1-CD2 3.6Å; L10-L126 HydrophobicContact CD1-CG 3.9Å
11	R	98.4	Very high	95	Very high	42 Å²	42	36 Å²	36	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.7	170.2	-57.7	-57.2	-60.1	-77.1	4.2	108.7	V54 L55 F60 E72	R11-V54 WeakPolarHBondContact O-CA 3.4Å; R11-L55 PolarHBondContact N-O 2.76Å; R11-L55 PolarHBondContact O-N 2.9Å; R11-L55 VanDerWaalsContact O-N 3.08Å; R11-F60 HydrophobicContact CB-CB 4.41Å; R11-F60 HydrophobicContact CB-CD2 3.9Å; R11-F60 HydrophobicContact CB-CE2 4.44Å; R11-F60 HydrophobicContact CB-CG 4.14Å; R11-F60 HydrophobicContact CG-CB 4.08Å; R11-F60 HydrophobicContact CG-CD1 4.18Å; R11-F60 HydrophobicContact CG-CD2 4.08Å; R11-F60 HydrophobicContact CG-CG 3.84Å; R11-E72 PolarHBondContact NH2-O 3.5Å
12	V	98.5	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.7	173	-175.1	0	0	0	0	108.3	T52 V54 E72 W76 F115 F279 F305	V12-T52 HydrophobicContact CG1-CG2 4.36Å; V12-V54 HydrophobicContact CG1-CG2 4.35Å; V12-V54 HydrophobicContact CG2-CG1 4.49Å; V12-V54 HydrophobicContact CG2-CG2 4.32Å; V12-E72 HydrophobicContact CB-CB 4.26Å; V12-E72 WeakPolarHBondContact O-CB 3.49Å; V12-E72 PolarHBondContact O-N 3.34Å; V12-W76 HydrophobicContact CG2-CG 4.22Å; V12-F115 HydrophobicContact CG1-CE2 3.89Å; V12-F115 HydrophobicContact CG1-CZ 4.11Å; V12-F279 HydrophobicContact CB-CE1 4.4Å; V12-F279 HydrophobicContact CG1-CE1 3.87Å; V12-F279 HydrophobicContact CG1-CZ 4.06Å; V12-F305 HydrophobicContact CG1-CD2 4.16Å
13	T	98.4	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.6	-176.1	71	0	0	0	0	111.2	T52 V53 L55 F60 Q70 V71	T13-T52 CarbonylContact O-C 3.49Å; T13-T52 WeakPolarHBondContact O-CA 3.47Å; T13-V53 PolarHBondContact N-O 3.11Å; T13-V53 PolarHBondContact O-N 2.87Å; T13-V53 WeakPolarHBondContact OG1-CB 3.45Å; T13-V53 PolarHBondContact OG1-O 2.84Å; T13-L55 HydrophobicContact CG2-CD2 4.22Å; T13-F60 HydrophobicContact CG2-CD2 3.98Å; T13-F60 HydrophobicContact CG2-CE2 3.75Å; T13-Q70 CarbonylContact C-O 3.48Å; T13-Q70 WeakPolarHBondContact CA-O 3.48Å; T13-Q70 WeakPolarHBondContact CB-O 3.36Å; T13-V71 HydrophobicContact CG2-CB 4.44Å; T13-V71 HydrophobicContact CG2-CG1 4.17Å; T13-V71 HydrophobicContact CG2-CG2 4.06Å
14	S	98.3	Very high	96.3	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.3	174.2	168.6	0	0	0	0	110.2	N50 Y51 L69 Q70	S14-N50 VanDerWaalsContact OG-CB 3.25Å; S14-N50 WeakPolarHBondContact OG-CB 3.39Å; S14-N50 PolarHBondContact OG-ND2 3.29Å; S14-Y51 CarbonylContact C-O 3.53Å; S14-Y51 WeakPolarHBondContact CA-O 2.76Å; S14-L69 WeakPolarHBondContact O-CA 3.26Å; S14-Q70 PolarHBondContact N-O 3.38Å; S14-Q70 PolarHBondContact O-N 3.03Å
15	I	98.3	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	174.1	-60.7	164.7	0	0	0	107.8	Y23 L27 N50 Y51 V53 H68 L69	I15-Y23 HydrophobicContact CB-CD2 4.47Å; I15-Y23 HydrophobicContact CD1-CD1 4.06Å; I15-Y23 HydrophobicContact CD1-CD2 4.16Å; I15-Y23 HydrophobicContact CD1-CG 3.73Å; I15-Y23 HydrophobicContact CG1-CD2 4.16Å; I15-Y23 HydrophobicContact CG1-CE2 4.5Å; I15-Y23 HydrophobicContact CG1-CG 4.19Å; I15-Y23 HydrophobicContact CG2-CD2 3.5Å; I15-Y23 VanDerWaalsContact CG2-CD2 3.5Å; I15-Y23 HydrophobicContact CG2-CE2 4.05Å; I15-Y23 HydrophobicContact CG2-CG 4.15Å; I15-L27 HydrophobicContact CD1-CD1 4.05Å; I15-L27 HydrophobicContact CD1-CD2 4.4Å; I15-N50 WeakPolarHBondContact O-CB 3.09Å; I15-Y51 PolarHBondContact N-O 2.77Å; I15-Y51 PolarHBondContact O-N 3.48Å; I15-V53 HydrophobicContact CD1-CG2 3.7Å; I15-V53 HydrophobicContact CG1-CG2 4.29Å; I15-H68 WeakPolarHBondContact CA-O 3.46Å; I15-L69 HydrophobicContact CD1-CD1 4.48Å; I15-L69 HydrophobicContact CG1-CD1 3.62Å
16	S	96.7	Very high	96.5	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	146.6	175.8	74.5	0	0	0	0	111.4	N18 G19 L20 H68	S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact O-N 2.8Å; S16-G19 PolarHBondContact O-N 3.04Å; S16-G19 PolarHBondContact OG-N 3.01Å; S16-L20 PolarHBondContact O-N 2.86Å; S16-H68 PolarHBondContact N-O 2.91Å; S16-H68 WeakPolarHBondContact OG-CB 3.45Å; S16-H68 PolarHBondContact OG-ND1 3.38Å
17	K	94.3	Very high	96.7	Very high	45 Å²	45	41.5 Å²	41.5	20%	0.196	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-51.7	-43.1	179.7	-68.6	-60.5	-163.9	-177.8	0	113.3	G19 L20 E46 T47 Y51	K17-G19 VanDerWaalsContact C-N 3.26Å; K17-G19 PolarHBondContact O-N 3.12Å; K17-L20 WeakPolarHBondContact O-CB 3.04Å; K17-L20 PolarHBondContact O-N 2.86Å; K17-E46 VanDerWaalsContact NZ-CD 3.32Å; K17-E46 IonicContact NZ-OE1 3.14Å; K17-E46 PolarHBondContact NZ-OE1 2.84Å; K17-T47 WeakPolarHBondContact CE-O 3.24Å; K17-T47 PolarHBondContact NZ-O 2.66Å; K17-Y51 HydrophobicContact CD-CD2 3.95Å; K17-Y51 HydrophobicContact CD-CE2 3.37Å
18	N	93.8	Very high	96.9	Very high	146 Å²	146	39.4 Å²	39.4	78%	0.781	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-69.6	-24.5	-178.8	-64.8	-18.9	0	0	0	113	S16	S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact O-N 2.8Å
19	G	94.1	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-90.4	-6.3	179.1	0	0	0	0	0	114.8	S16 K17 V21 N22 Y23 H68	S16-G19 PolarHBondContact O-N 3.04Å; S16-G19 PolarHBondContact OG-N 3.01Å; K17-G19 VanDerWaalsContact C-N 3.26Å; K17-G19 PolarHBondContact O-N 3.12Å; G19-V21 PolarHBondContact O-N 2.82Å; G19-V21 VanDerWaalsContact O-N 3.11Å; G19-N22 WeakPolarHBondContact O-CB 3.4Å; G19-N22 PolarHBondContact O-N 2.98Å; G19-Y23 WeakPolarHBondContact O-CD2 3.43Å; G19-H68 VanDerWaalsContact CA-CD2 3.44Å; G19-H68 WeakPolarHBondContact CA-CD2 3.14Å; G19-H68 VanDerWaalsContact CA-CG 3.45Å
20	L	94.9	Very high	97	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-52.4	-39.3	-174	-178.2	65.6	0	0	0	112.7	S16 K17 N22 Y23 T24 L27 Y51 F209	S16-L20 PolarHBondContact O-N 2.86Å; K17-L20 WeakPolarHBondContact O-CB 3.04Å; K17-L20 PolarHBondContact O-N 2.86Å; L20-N22 PolarHBondContact O-N 3.25Å; L20-N22 VanDerWaalsContact O-N 3.17Å; L20-Y23 CarbonylContact O-C 3.56Å; L20-Y23 WeakPolarHBondContact O-CA 3.42Å; L20-Y23 PolarHBondContact O-N 3.22Å; L20-T24 PolarHBondContact O-N 3.49Å; L20-T24 PolarHBondContact O-OG1 3.25Å; L20-L27 HydrophobicContact CD1-CD1 3.86Å; L20-Y51 HydrophobicContact CB-CD2 4.47Å; L20-Y51 HydrophobicContact CB-CE2 4.06Å; L20-Y51 HydrophobicContact CD1-CD1 4.33Å; L20-Y51 HydrophobicContact CD1-CD2 3.76Å; L20-Y51 HydrophobicContact CD1-CE1 4.28Å; L20-Y51 HydrophobicContact CD1-CE2 3.7Å; L20-Y51 HydrophobicContact CD1-CG 4.08Å; L20-Y51 HydrophobicContact CD2-CD2 4.37Å; L20-Y51 HydrophobicContact CD2-CE1 4.2Å; L20-Y51 HydrophobicContact CD2-CE2 3.46Å; L20-Y51 VanDerWaalsContact CD2-CE2 3.46Å; L20-Y51 VanDerWaalsContact CD2-OH 3.27Å; L20-Y51 WeakPolarHBondContact CD2-OH 3.49Å; L20-Y51 HydrophobicContact CG-CD2 4.41Å; L20-Y51 HydrophobicContact CG-CE2 3.92Å; L20-F209 HydrophobicContact CD1-CD1 3.93Å; L20-F209 HydrophobicContact CD1-CE1 4.07Å; L20-F209 HydrophobicContact CD2-CB 4.41Å; L20-F209 HydrophobicContact CD2-CD1 3.86Å; L20-F209 HydrophobicContact CG-CD1 3.97Å
21	V	95.1	Very high	96.9	Very high	108 Å²	108	36.8 Å²	36.8	66%	0.655	19%	0.193	S	C	*	.	H	α-helix	trans	-55.8	-33.4	179.1	65.9	0	0	0	0	113	G19 Y23 T24	G19-V21 PolarHBondContact O-N 2.82Å; G19-V21 VanDerWaalsContact O-N 3.11Å; V21-Y23 PolarHBondContact O-N 2.8Å; V21-T24 PolarHBondContact O-OG1 3.38Å
22	N	96.3	Very high	96.8	Very high	101 Å²	101	36.8 Å²	36.8	54%	0.54	19%	0.194	S	C	.	.	H	α-helix	trans	-73.1	-21	178.6	-62.1	-18.1	0	0	0	112.1	G19 L20	G19-N22 WeakPolarHBondContact O-CB 3.4Å; G19-N22 PolarHBondContact O-N 2.98Å; L20-N22 PolarHBondContact O-N 3.25Å; L20-N22 VanDerWaalsContact O-N 3.17Å
23	Y	97.8	Very high	96.6	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-107	-1.2	-178.5	-63.6	-83.3	0	0	0	113.5	I15 G19 L20 V21 H25 P26 L27 L63 A64 S66 H68 L69	I15-Y23 HydrophobicContact CB-CD2 4.47Å; I15-Y23 HydrophobicContact CD1-CD1 4.06Å; I15-Y23 HydrophobicContact CD1-CD2 4.16Å; I15-Y23 HydrophobicContact CD1-CG 3.73Å; I15-Y23 HydrophobicContact CG1-CD2 4.16Å; I15-Y23 HydrophobicContact CG1-CE2 4.5Å; I15-Y23 HydrophobicContact CG1-CG 4.19Å; I15-Y23 HydrophobicContact CG2-CD2 3.5Å; I15-Y23 VanDerWaalsContact CG2-CD2 3.5Å; I15-Y23 HydrophobicContact CG2-CE2 4.05Å; I15-Y23 HydrophobicContact CG2-CG 4.15Å; G19-Y23 WeakPolarHBondContact O-CD2 3.43Å; L20-Y23 CarbonylContact O-C 3.56Å; L20-Y23 WeakPolarHBondContact O-CA 3.42Å; L20-Y23 PolarHBondContact O-N 3.22Å; V21-Y23 PolarHBondContact O-N 2.8Å; Y23-H25 VanDerWaalsContact C-N 3.31Å; Y23-H25 PolarHBondContact O-N 2.98Å; Y23-P26 HydrophobicContact CD1-CG 4.32Å; Y23-P26 WeakPolarHBondContact O-CD 3.48Å; Y23-P26 VanDerWaalsContact O-CG 3.24Å; Y23-P26 WeakPolarHBondContact O-CG 3.48Å; Y23-L27 VanDerWaalsContact O-CB 3.31Å; Y23-L27 WeakPolarHBondContact O-CB 3.39Å; Y23-L27 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 PolarHBondContact O-N 2.82Å; Y23-L63 HydrophobicContact CD1-CD2 3.98Å; Y23-L63 HydrophobicContact CE1-CB 4.39Å; Y23-A64 WeakPolarHBondContact CE1-O 3.38Å; Y23-A64 PolarHBondContact OH-O 3.43Å; Y23-S66 VanDerWaalsContact OH-CB 3.27Å; Y23-S66 WeakPolarHBondContact OH-CB 3.02Å; Y23-S66 PolarHBondContact OH-OG 2.87Å; Y23-H68 HydrophobicContact CE2-CB 4.35Å; Y23-L69 HydrophobicContact CE1-CB 4.38Å; Y23-L69 HydrophobicContact CE1-CD1 4.41Å; Y23-L69 HydrophobicContact CE1-CD2 4.16Å; Y23-L69 HydrophobicContact CE2-CB 4.4Å; Y23-L69 WeakPolarHBondContact OH-CB 3.29Å
24	T	97.3	Very high	96.1	Very high	33 Å²	33	44.7 Å²	44.7	20%	0.202	23%	0.23	C	C	.	.	H	α-helix	trans	-55.4	-46.4	177.9	-55.7	0	0	0	0	111.5	L20 V21 L27 I28	L20-T24 PolarHBondContact O-N 3.49Å; L20-T24 PolarHBondContact O-OG1 3.25Å; V21-T24 PolarHBondContact O-OG1 3.38Å; T24-L27 PolarHBondContact O-N 3.45Å; T24-I28 HydrophobicContact CG2-CG1 4Å; T24-I28 VanDerWaalsContact O-CB 3.31Å; T24-I28 WeakPolarHBondContact O-CB 3.47Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 2.91Å
25	H	97.8	Very high	95.7	Very high	139 Å²	139	52.4 Å²	52.4	64%	0.644	27%	0.27	S	S	*	.	H	α-helix	trans	-58.4	-55.6	179.4	175	-87.3	0	0	0	113.4	Y23 K29	Y23-H25 VanDerWaalsContact C-N 3.31Å; Y23-H25 PolarHBondContact O-N 2.98Å; H25-K29 PolarHBondContact O-N 3.19Å; H25-K29 VanDerWaalsContact O-N 3.1Å
26	P	97.6	Very high	95.5	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-37.8	178.2	23.6	-33	0	0	0	113	Y23 K29 L30 E62 L63	Y23-P26 HydrophobicContact CD1-CG 4.32Å; Y23-P26 WeakPolarHBondContact O-CD 3.48Å; Y23-P26 VanDerWaalsContact O-CG 3.24Å; Y23-P26 WeakPolarHBondContact O-CG 3.48Å; P26-K29 WeakPolarHBondContact O-CB 3.49Å; P26-K29 PolarHBondContact O-N 2.92Å; P26-L30 VanDerWaalsContact O-CG 3.29Å; P26-L30 WeakPolarHBondContact O-CG 3.47Å; P26-L30 PolarHBondContact O-N 3.25Å; P26-E62 HydrophobicContact CB-CB 4.05Å; P26-E62 VanDerWaalsContact CB-O 3.26Å; P26-E62 WeakPolarHBondContact CB-O 3.33Å; P26-L63 HydrophobicContact CB-CD2 4.18Å; P26-L63 HydrophobicContact CG-CD2 4.25Å
27	L	98	Very high	95.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178.6	-67	173.4	0	0	0	112.1	I15 L20 Y23 T24 K29 L30 I31 F42 L44 V53 F209	I15-L27 HydrophobicContact CD1-CD1 4.05Å; I15-L27 HydrophobicContact CD1-CD2 4.4Å; L20-L27 HydrophobicContact CD1-CD1 3.86Å; Y23-L27 VanDerWaalsContact O-CB 3.31Å; Y23-L27 WeakPolarHBondContact O-CB 3.39Å; Y23-L27 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 PolarHBondContact O-N 2.82Å; T24-L27 PolarHBondContact O-N 3.45Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.15Å; L27-L30 PolarHBondContact O-N 2.67Å; L27-I31 WeakPolarHBondContact O-CB 3.22Å; L27-I31 WeakPolarHBondContact O-CD1 3.42Å; L27-I31 VanDerWaalsContact O-CG1 3.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.36Å; L27-F42 HydrophobicContact CD2-CE2 4.09Å; L27-F42 HydrophobicContact CD2-CZ 4.1Å; L27-L44 HydrophobicContact CD2-CD1 4.38Å; L27-V53 HydrophobicContact CD2-CG2 4.38Å; L27-F209 HydrophobicContact CB-CE1 3.97Å; L27-F209 HydrophobicContact CB-CZ 3.87Å; L27-F209 HydrophobicContact CD1-CE1 3.8Å; L27-F209 HydrophobicContact CD1-CZ 4.45Å
28	I	97.7	Very high	95.4	Very high	42 Å²	42	66.8 Å²	66.8	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-41.1	173.1	-69.5	-65.5	0	0	0	111.1	T24 I31 F32 I205 F209	T24-I28 HydrophobicContact CG2-CG1 4Å; T24-I28 VanDerWaalsContact O-CB 3.31Å; T24-I28 WeakPolarHBondContact O-CB 3.47Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 2.91Å; I28-I31 PolarHBondContact O-N 3.32Å; I28-F32 HydrophobicContact CD1-CD2 4Å; I28-F32 HydrophobicContact CD1-CE2 3.8Å; I28-F32 HydrophobicContact CG2-CD2 4.17Å; I28-F32 PolarHBondContact O-N 3.04Å; I28-I205 HydrophobicContact CD1-CD1 3.67Å; I28-I205 HydrophobicContact CD1-CG1 3.55Å; I28-F209 HydrophobicContact CD1-CD2 4.26Å; I28-F209 HydrophobicContact CD1-CE2 3.67Å; I28-F209 HydrophobicContact CD1-CZ 4.24Å; I28-F209 HydrophobicContact CG1-CE2 4.44Å
29	K	97.4	Very high	95.5	Very high	39 Å²	39	61 Å²	61	17%	0.17	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-47	176.2	-172.6	-164.9	-71.1	177.7	0	111.2	H25 P26 L27 L33 R36 E62	H25-K29 PolarHBondContact O-N 3.19Å; H25-K29 VanDerWaalsContact O-N 3.1Å; P26-K29 WeakPolarHBondContact O-CB 3.49Å; P26-K29 PolarHBondContact O-N 2.92Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.15Å; K29-L33 HydrophobicContact CB-CD1 4.49Å; K29-L33 HydrophobicContact CG-CB 4.18Å; K29-L33 HydrophobicContact CG-CD1 4.39Å; K29-L33 CarbonylContact O-C 3.57Å; K29-L33 WeakPolarHBondContact O-CA 3.45Å; K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.2Å; K29-R36 HydrophobicContact CD-CB 4.24Å; K29-R36 HydrophobicContact CG-CB 3.97Å; K29-E62 WeakPolarHBondContact CD-OE1 3.31Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 PolarHBondContact NZ-OE1 3.14Å; K29-E62 IonicContact NZ-OE2 2.91Å; K29-E62 PolarHBondContact NZ-OE2 2.78Å
30	L	97.4	Very high	95.7	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-37.6	-179.2	-68.3	166.6	0	0	0	112.4	P26 L27 T37 C39 F42 L55 E62	P26-L30 VanDerWaalsContact O-CG 3.29Å; P26-L30 WeakPolarHBondContact O-CG 3.47Å; P26-L30 PolarHBondContact O-N 3.25Å; L27-L30 PolarHBondContact O-N 2.67Å; L30-T37 HydrophobicContact CD2-CG2 4.32Å; L30-C39 HydrophobicContact CD2-CB 3.8Å; L30-F42 HydrophobicContact CB-CD2 3.85Å; L30-F42 HydrophobicContact CB-CE2 3.75Å; L30-F42 HydrophobicContact CB-CG 4.29Å; L30-F42 HydrophobicContact CB-CZ 4.12Å; L30-F42 HydrophobicContact CD1-CD2 3.93Å; L30-F42 HydrophobicContact CD1-CE2 3.69Å; L30-F42 HydrophobicContact CG-CD2 4.34Å; L30-F42 HydrophobicContact CG-CE2 4.31Å; L30-L55 HydrophobicContact CD1-CD1 4.14Å; L30-E62 HydrophobicContact CD2-CG 4.4Å
31	I	96.6	Very high	95.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-75.5	-51.4	-179.5	-65.2	163.5	0	0	0	111.4	L27 I28 F42 L44 L197 L204 L208 F209 F234	L27-I31 WeakPolarHBondContact O-CB 3.22Å; L27-I31 WeakPolarHBondContact O-CD1 3.42Å; L27-I31 VanDerWaalsContact O-CG1 3.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.36Å; I28-I31 PolarHBondContact O-N 3.32Å; I31-F42 HydrophobicContact CD1-CE1 4.39Å; I31-F42 HydrophobicContact CD1-CZ 4.48Å; I31-F42 HydrophobicContact CG1-CD1 4.49Å; I31-F42 HydrophobicContact CG1-CE1 3.53Å; I31-F42 HydrophobicContact CG1-CZ 3.92Å; I31-L44 HydrophobicContact CD1-CD2 4.14Å; I31-L197 WeakPolarHBondContact O-CD2 3.32Å; I31-L204 HydrophobicContact CG2-CD2 4Å; I31-L208 HydrophobicContact CD1-CD1 3.89Å; I31-F209 HydrophobicContact CD1-CE2 4.26Å; I31-F209 HydrophobicContact CD1-CZ 3.97Å; I31-F234 HydrophobicContact CB-CE1 4.42Å; I31-F234 HydrophobicContact CG1-CD1 4.32Å; I31-F234 HydrophobicContact CG1-CE1 4.15Å; I31-F234 HydrophobicContact CG2-CE1 3.9Å; I31-F234 HydrophobicContact CG2-CZ 3.92Å
32	F	96.4	Very high	96	Very high	43 Å²	43	61.7 Å²	61.7	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-107.9	-21.5	-164.8	-62	-70.3	0	0	0	114.7	I28 L197 A201 L204 I205	I28-F32 HydrophobicContact CD1-CD2 4Å; I28-F32 HydrophobicContact CD1-CE2 3.8Å; I28-F32 HydrophobicContact CG2-CD2 4.17Å; I28-F32 PolarHBondContact O-N 3.04Å; F32-L197 HydrophobicContact CD1-CD1 4.47Å; F32-L197 HydrophobicContact CD1-CD2 4.22Å; F32-L197 HydrophobicContact CD1-CG 4.02Å; F32-L197 HydrophobicContact CE1-CD1 4.06Å; F32-L197 HydrophobicContact CE1-CG 4.09Å; F32-A201 HydrophobicContact CD1-CB 3.84Å; F32-A201 HydrophobicContact CE1-CB 3.4Å; F32-A201 HydrophobicContact CZ-CB 3.87Å; F32-L204 HydrophobicContact CE1-CD2 4.01Å; F32-L204 HydrophobicContact CZ-CB 4.19Å; F32-L204 HydrophobicContact CZ-CD2 3.79Å; F32-L204 HydrophobicContact CZ-CG 4.14Å; F32-I205 HydrophobicContact CD2-CD1 4.41Å; F32-I205 HydrophobicContact CE2-CD1 3.76Å; F32-I205 HydrophobicContact CE2-CG1 3.5Å; F32-I205 HydrophobicContact CZ-CD1 4.18Å; F32-I205 HydrophobicContact CZ-CG1 3.82Å
33	L	94.9	Very high	96.1	Very high	83 Å²	83	57 Å²	57	44%	0.435	26%	0.259	S	S	.	.			trans	-112.3	58.4	-169.3	-52.7	-179.2	0	0	0	111.1	K29 N35 R36	K29-L33 HydrophobicContact CB-CD1 4.49Å; K29-L33 HydrophobicContact CG-CB 4.18Å; K29-L33 HydrophobicContact CG-CD1 4.39Å; K29-L33 CarbonylContact O-C 3.57Å; K29-L33 WeakPolarHBondContact O-CA 3.45Å; K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.2Å; L33-N35 PolarHBondContact O-N 2.71Å; L33-N35 VanDerWaalsContact O-N 3.07Å; L33-R36 HydrophobicContact CB-CB 3.94Å; L33-R36 HydrophobicContact CB-CG 3.8Å; L33-R36 HydrophobicContact CD1-CG 4.39Å; L33-R36 WeakPolarHBondContact O-CA 3.32Å; L33-R36 WeakPolarHBondContact O-CB 3.42Å; L33-R36 PolarHBondContact O-N 3.26Å
34	R	86.9	Confident	96.1	Very high	83 Å²	83	56.7 Å²	56.7	31%	0.313	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-48.9	-38.7	-179.5	-65.8	-172	-176.1	-173.4	1.6	113.2	R36 T37 L236 G239	R34-R36 PolarHBondContact O-N 2.92Å; R34-R36 VanDerWaalsContact O-N 3.14Å; R34-T37 PolarHBondContact O-N 3.32Å; R34-L236 HydrophobicContact CG-CD2 4.02Å; R34-L236 VanDerWaalsContact NE-CD2 3.26Å; R34-G239 PolarHBondContact NH1-O 2.9Å; R34-G239 VanDerWaalsContact NH1-O 3.15Å; R34-G239 PolarHBondContact NH2-O 3.02Å
35	N	89.8	Confident	96.2	Very high	165 Å²	165	55.3 Å²	55.3	88%	0.882	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-72.5	-2.8	178.8	-62.8	-25.8	0	0	0	114.7	L33	L33-N35 PolarHBondContact O-N 2.71Å; L33-N35 VanDerWaalsContact O-N 3.07Å
36	R	94.1	Very high	96.2	Very high	187 Å²	187	48.7 Å²	48.7	71%	0.706	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-108.4	-1.5	-179.3	-60	-62.4	-169.4	173.1	0.7	113	K29 L33 R34	K29-R36 HydrophobicContact CD-CB 4.24Å; K29-R36 HydrophobicContact CG-CB 3.97Å; L33-R36 HydrophobicContact CB-CB 3.94Å; L33-R36 HydrophobicContact CB-CG 3.8Å; L33-R36 HydrophobicContact CD1-CG 4.39Å; L33-R36 WeakPolarHBondContact O-CA 3.32Å; L33-R36 WeakPolarHBondContact O-CB 3.42Å; L33-R36 PolarHBondContact O-N 3.26Å; R34-R36 PolarHBondContact O-N 2.92Å; R34-R36 VanDerWaalsContact O-N 3.14Å
37	T	93.8	Very high	96.1	Very high	23 Å²	23	48 Å²	48	14%	0.141	22%	0.215	C	C	.	.			trans	-138.3	157.7	178.2	-179.4	0	0	0	0	109.7	L30 R34 C39	L30-T37 HydrophobicContact CD2-CG2 4.32Å; R34-T37 PolarHBondContact O-N 3.32Å; T37-C39 HydrophobicContact CG2-CB 4.03Å; T37-C39 VanDerWaalsContact OG1-CB 3.28Å; T37-C39 WeakPolarHBondContact OG1-CB 3.24Å; T37-C39 PolarHBondContact OG1-N 3.48Å; T37-C39 VanDerWaalsContact OG1-N 3.09Å
38	R	95.3	Very high	95.9	Very high	176 Å²	176	50.1 Å²	50.1	66%	0.664	23%	0.229	S	C	*	.			trans	-98.8	4.5	169.9	-62.8	-172.6	-63.3	-176.3	2	112.5	K40 E58	R38-K40 PolarHBondContact O-N 3.47Å; R38-E58 HydrophobicContact CB-CB 4.12Å; R38-E58 HydrophobicContact CB-CG 4.04Å; R38-E58 IonicContact CZ-OE1 2.77Å; R38-E58 IonicContact CZ-OE2 2.79Å; R38-E58 IonicContact NE-OE2 2.99Å; R38-E58 PolarHBondContact NE-OE2 3.24Å; R38-E58 IonicContact NH2-OE1 3.65Å; R38-E58 PolarHBondContact NH2-OE1 3.36Å; R38-E58 IonicContact NH2-OE2 2.64Å; R38-E58 PolarHBondContact NH2-OE2 3.12Å
39	C	97.3	Very high	95.6	Very high	25 Å²	25	51.6 Å²	51.6	17%	0.169	24%	0.235	C	C	.	.			trans	-59.3	125.2	175.3	-172.9	0	0	0	0	110.1	L30 T37 F41 D56	L30-C39 HydrophobicContact CD2-CB 3.8Å; T37-C39 HydrophobicContact CG2-CB 4.03Å; T37-C39 VanDerWaalsContact OG1-CB 3.28Å; T37-C39 WeakPolarHBondContact OG1-CB 3.24Å; T37-C39 PolarHBondContact OG1-N 3.48Å; T37-C39 VanDerWaalsContact OG1-N 3.09Å; C39-F41 PolarHBondContact SG-O 3.03Å; C39-D56 WeakPolarHBondContact CA-OD2 3.48Å
40	K	96.5	Very high	95.6	Very high	132 Å²	132	50.2 Å²	50.2	57%	0.574	23%	0.229	S	C	*	.			trans	-111.3	-24.2	175.2	-66.3	-176.4	179.5	-178.8	0	112.1	R38 D56 I237 D238	R38-K40 PolarHBondContact O-N 3.47Å; K40-D56 PolarHBondContact N-OD2 2.93Å; K40-I237 CarbonylContact O-C 3.56Å; K40-I237 WeakPolarHBondContact O-CA 3.43Å; K40-D238 PolarHBondContact O-N 3.1Å
41	F	98.1	Very high	95.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	110.3	176	-161.2	-68.1	0	0	0	109.6	H8 L10 C39 V54 L55 D56 P78 L117 F124 I237	H8-F41 HydrophobicContact CB-CD2 4.41Å; H8-F41 AromaticContact CD2-CD2 3.94Å; L10-F41 HydrophobicContact CD1-CD1 3.95Å; L10-F41 HydrophobicContact CD1-CD2 4.14Å; L10-F41 HydrophobicContact CD1-CE1 3.68Å; L10-F41 HydrophobicContact CD1-CE2 3.88Å; L10-F41 HydrophobicContact CD1-CG 4.18Å; L10-F41 HydrophobicContact CD1-CZ 3.63Å; L10-F41 HydrophobicContact CD2-CB 3.6Å; L10-F41 HydrophobicContact CD2-CD1 3.53Å; L10-F41 HydrophobicContact CD2-CD2 3.96Å; L10-F41 HydrophobicContact CD2-CE1 4.15Å; L10-F41 HydrophobicContact CD2-CG 3.42Å; L10-F41 VanDerWaalsContact CD2-CG 3.42Å; L10-F41 HydrophobicContact CG-CD1 4.4Å; L10-F41 HydrophobicContact CG-CG 4.45Å; C39-F41 PolarHBondContact SG-O 3.03Å; F41-V54 HydrophobicContact CD1-CG1 4.44Å; F41-V54 HydrophobicContact CE1-CG1 3.9Å; F41-L55 CarbonylContact O-C 3.53Å; F41-L55 WeakPolarHBondContact O-CA 3.4Å; F41-D56 HydrophobicContact CB-CB 4.17Å; F41-D56 PolarHBondContact N-OD2 3.43Å; F41-D56 PolarHBondContact O-N 3.3Å; F41-P78 HydrophobicContact CE2-CB 4.21Å; F41-P78 HydrophobicContact CE2-CG 4.23Å; F41-L117 HydrophobicContact CE1-CD2 3.8Å; F41-L117 HydrophobicContact CZ-CD2 3.82Å; F41-F124 HydrophobicContact CE2-CD1 4.39Å; F41-F124 HydrophobicContact CE2-CE1 4.47Å; F41-F124 HydrophobicContact CE2-CG 4.4Å; F41-F124 HydrophobicContact CZ-CD2 4.38Å; F41-F124 HydrophobicContact CZ-CG 4.43Å; F41-I237 HydrophobicContact CD1-CD1 4.29Å; F41-I237 HydrophobicContact CD1-CG1 4.14Å; F41-I237 HydrophobicContact CD2-CB 4.45Å; F41-I237 HydrophobicContact CD2-CD1 4.32Å; F41-I237 HydrophobicContact CD2-CG1 4.15Å; F41-I237 HydrophobicContact CD2-CG2 3.52Å; F41-I237 HydrophobicContact CE1-CD1 3.8Å; F41-I237 HydrophobicContact CE1-CG1 4.16Å; F41-I237 HydrophobicContact CE2-CD1 3.84Å; F41-I237 HydrophobicContact CE2-CG1 4.18Å; F41-I237 HydrophobicContact CE2-CG2 3.76Å; F41-I237 HydrophobicContact CG-CG1 4.13Å; F41-I237 HydrophobicContact CG-CG2 4.16Å; F41-I237 HydrophobicContact CZ-CD1 3.56Å; F41-I237 HydrophobicContact CZ-CG1 4.19Å
42	F	98.5	Very high	95.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129	175.7	175.1	-100	0	0	0	110.5	L27 L30 I31 L44 V53 V54 L55 F234 S235 L236	L27-F42 HydrophobicContact CD2-CE2 4.09Å; L27-F42 HydrophobicContact CD2-CZ 4.1Å; L30-F42 HydrophobicContact CB-CD2 3.85Å; L30-F42 HydrophobicContact CB-CE2 3.75Å; L30-F42 HydrophobicContact CB-CG 4.29Å; L30-F42 HydrophobicContact CB-CZ 4.12Å; L30-F42 HydrophobicContact CD1-CD2 3.93Å; L30-F42 HydrophobicContact CD1-CE2 3.69Å; L30-F42 HydrophobicContact CG-CD2 4.34Å; L30-F42 HydrophobicContact CG-CE2 4.31Å; I31-F42 HydrophobicContact CD1-CE1 4.39Å; I31-F42 HydrophobicContact CD1-CZ 4.48Å; I31-F42 HydrophobicContact CG1-CD1 4.49Å; I31-F42 HydrophobicContact CG1-CE1 3.53Å; I31-F42 HydrophobicContact CG1-CZ 3.92Å; F42-L44 HydrophobicContact CE1-CB 3.92Å; F42-L44 HydrophobicContact CZ-CB 3.73Å; F42-L44 HydrophobicContact CZ-CD2 4.41Å; F42-V53 HydrophobicContact CD2-CG1 4.12Å; F42-V53 HydrophobicContact CE2-CG1 3.59Å; F42-V53 HydrophobicContact CZ-CG1 4.39Å; F42-V54 CarbonylContact C-O 3.56Å; F42-L55 HydrophobicContact CD2-CB 4.33Å; F42-F234 HydrophobicContact CD1-CD1 4.31Å; F42-F234 HydrophobicContact CD1-CE1 4.3Å; F42-F234 HydrophobicContact CE1-CD1 4.01Å; F42-F234 HydrophobicContact CE1-CE1 4.26Å; F42-S235 CarbonylContact O-C 3.53Å; F42-S235 WeakPolarHBondContact O-CA 3.42Å; F42-L236 HydrophobicContact CD1-CB 4.46Å; F42-L236 PolarHBondContact N-O 3.46Å; F42-L236 CarbonylContact O-C 3.58Å; F42-L236 PolarHBondContact O-N 3.27Å; F42-L236 VanDerWaalsContact O-O 3.14Å
43	S	98.7	Very high	95.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.9	171	-178.1	0	0	0	0	109.5	V53 V54 F234 S235	S43-V53 CarbonylContact O-C 3.52Å; S43-V53 VanDerWaalsContact O-CA 3.26Å; S43-V53 WeakPolarHBondContact O-CA 3.31Å; S43-V53 WeakPolarHBondContact O-CG1 3.39Å; S43-V54 PolarHBondContact N-O 2.87Å; S43-V54 PolarHBondContact O-N 2.99Å; S43-F234 CarbonylContact C-O 3.47Å; S43-F234 WeakPolarHBondContact CA-O 3.5Å; S43-S235 WeakPolarHBondContact CB-OG 3.32Å; S43-S235 PolarHBondContact OG-OG 3.11Å
44	L	98.7	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.4	179.6	175.4	67.7	0	0	0	108.1	L27 I31 F42 Y51 T52 V53 L208 S233 F234	L27-L44 HydrophobicContact CD2-CD1 4.38Å; I31-L44 HydrophobicContact CD1-CD2 4.14Å; F42-L44 HydrophobicContact CE1-CB 3.92Å; F42-L44 HydrophobicContact CZ-CB 3.73Å; F42-L44 HydrophobicContact CZ-CD2 4.41Å; L44-Y51 HydrophobicContact CD1-CD1 4.14Å; L44-Y51 HydrophobicContact CD1-CG 4.48Å; L44-T52 WeakPolarHBondContact CA-O 3.3Å; L44-V53 HydrophobicContact CD1-CG2 3.72Å; L44-L208 HydrophobicContact CD2-CD1 4.14Å; L44-L208 HydrophobicContact CD2-CD2 4.02Å; L44-S233 WeakPolarHBondContact O-CA 3.26Å; L44-F234 PolarHBondContact N-O 3.1Å; L44-F234 PolarHBondContact O-N 3.21Å
45	T	98.5	Very high	96.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.2	177	-58.5	0	0	0	0	109.8	T47 Y51 T52 F231 F232 S233 I302 T304	T45-T47 HydrophobicContact CG2-CG2 4.4Å; T45-Y51 CarbonylContact O-C 3.57Å; T45-Y51 WeakPolarHBondContact O-CA 3.01Å; T45-T52 PolarHBondContact N-O 3.23Å; T45-T52 PolarHBondContact O-N 3.35Å; T45-F231 HydrophobicContact CG2-CD2 4.35Å; T45-F231 HydrophobicContact CG2-CE1 4.42Å; T45-F231 HydrophobicContact CG2-CE2 3.67Å; T45-F231 HydrophobicContact CG2-CZ 3.72Å; T45-F232 CarbonylContact C-O 3.56Å; T45-F232 WeakPolarHBondContact CA-O 3.33Å; T45-S233 PolarHBondContact OG1-OG 3.01Å; T45-I302 HydrophobicContact CG2-CG2 4.4Å; T45-T304 HydrophobicContact CG2-CG2 3.78Å
46	E	97.9	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126	170.6	-171.2	-175.6	178.4	0	0	110.3	K17 Y51 K230 F231 F232	K17-E46 VanDerWaalsContact NZ-CD 3.32Å; K17-E46 IonicContact NZ-OE1 3.14Å; K17-E46 PolarHBondContact NZ-OE1 2.84Å; E46-Y51 HydrophobicContact CB-CD1 3.82Å; E46-Y51 HydrophobicContact CB-CE1 3.7Å; E46-Y51 HydrophobicContact CG-CD1 3.84Å; E46-Y51 HydrophobicContact CG-CE1 3.36Å; E46-Y51 PolarHBondContact OE1-OH 2.84Å; E46-K230 WeakPolarHBondContact OE1-CE 3.37Å; E46-K230 WeakPolarHBondContact OE2-CE 3.35Å; E46-K230 IonicContact OE2-NZ 2.69Å; E46-K230 PolarHBondContact OE2-NZ 3.02Å; E46-F231 WeakPolarHBondContact O-CA 3.43Å; E46-F232 HydrophobicContact CB-CB 4.24Å; E46-F232 PolarHBondContact N-O 3.15Å; E46-F232 PolarHBondContact O-N 3.5Å; E46-F232 VanDerWaalsContact O-N 3.09Å
47	T	96	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.			trans	-119.6	178	167.8	78.6	0	0	0	0	110.1	K17 T45 E49 N50 K230 F231 T304	K17-T47 WeakPolarHBondContact CE-O 3.24Å; K17-T47 PolarHBondContact NZ-O 2.66Å; T45-T47 HydrophobicContact CG2-CG2 4.4Å; T47-E49 WeakPolarHBondContact CB-OE2 3.11Å; T47-E49 PolarHBondContact O-N 3.39Å; T47-E49 PolarHBondContact OG1-N 2.8Å; T47-E49 PolarHBondContact OG1-OE2 2.85Å; T47-N50 PolarHBondContact N-O 3.43Å; T47-N50 PolarHBondContact OG1-N 3.32Å; T47-N50 PolarHBondContact OG1-O 3.15Å; T47-K230 CarbonylContact C-O 3.59Å; T47-F231 HydrophobicContact CG2-CD2 4.47Å; T47-T304 HydrophobicContact CG2-CG2 3.74Å
48	P	93	Very high	97.2	Very high	44 Å²	44	29.3 Å²	29.3	29%	0.286	14%	0.135	S	C	.	.	S	Bend	trans	-62	-28.5	172.7	-22.9	35.4	0	0	0	113.4	I229 K230	P48-I229 HydrophobicContact CG-CD1 3.88Å; P48-I229 HydrophobicContact CG-CG1 3.47Å; P48-I229 VanDerWaalsContact CG-CG1 3.47Å; P48-K230 WeakPolarHBondContact CD-O 3.29Å; P48-K230 HydrophobicContact CG-CB 4.49Å
49	E	92.6	Very high	97.3	Very high	73 Å²	73	20.9 Å²	20.9	34%	0.341	10%	0.103	S	C	.	.	S	Bend	trans	-88.9	-40.4	-172.3	-56.3	74.6	-157.6	0	0	112.8	T47 R271 F307	T47-E49 WeakPolarHBondContact CB-OE2 3.11Å; T47-E49 PolarHBondContact O-N 3.39Å; T47-E49 PolarHBondContact OG1-N 2.8Å; T47-E49 PolarHBondContact OG1-OE2 2.85Å; E49-R271 IonicContact OE1-CZ 2.7Å; E49-R271 VanDerWaalsContact OE1-CZ 3.27Å; E49-R271 IonicContact OE1-NH1 3.27Å; E49-R271 PolarHBondContact OE1-NH1 3.17Å; E49-R271 IonicContact OE1-NH2 3.38Å; E49-R271 PolarHBondContact OE1-NH2 2.87Å; E49-R271 IonicContact OE2-CZ 3.51Å; E49-R271 IonicContact OE2-NH1 3.97Å; E49-R271 IonicContact OE2-NH2 2.9Å; E49-F307 HydrophobicContact CG-CE2 4.19Å
50	N	95.9	Very high	97.3	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.048	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-176.5	-171.9	60.2	60.3	0	0	0	112.4	S14 I15 T47 T52	S14-N50 VanDerWaalsContact OG-CB 3.25Å; S14-N50 WeakPolarHBondContact OG-CB 3.39Å; S14-N50 PolarHBondContact OG-ND2 3.29Å; I15-N50 WeakPolarHBondContact O-CB 3.09Å; T47-N50 PolarHBondContact N-O 3.43Å; T47-N50 PolarHBondContact OG1-N 3.32Å; T47-N50 PolarHBondContact OG1-O 3.15Å; N50-T52 PolarHBondContact OD1-N 2.81Å; N50-T52 PolarHBondContact OD1-OG1 3.01Å; N50-T52 VanDerWaalsContact OD1-OG1 3.13Å
51	Y	98.2	Very high	97.4	Very high	10 Å²	10	22.2 Å²	22.2	4%	0.039	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.3	163.8	-64.3	-95	0	0	0	108	S14 I15 K17 L20 L44 T45 E46 L208	S14-Y51 CarbonylContact C-O 3.53Å; S14-Y51 WeakPolarHBondContact CA-O 2.76Å; I15-Y51 PolarHBondContact N-O 2.77Å; I15-Y51 PolarHBondContact O-N 3.48Å; K17-Y51 HydrophobicContact CD-CD2 3.95Å; K17-Y51 HydrophobicContact CD-CE2 3.37Å; L20-Y51 HydrophobicContact CB-CD2 4.47Å; L20-Y51 HydrophobicContact CB-CE2 4.06Å; L20-Y51 HydrophobicContact CD1-CD1 4.33Å; L20-Y51 HydrophobicContact CD1-CD2 3.76Å; L20-Y51 HydrophobicContact CD1-CE1 4.28Å; L20-Y51 HydrophobicContact CD1-CE2 3.7Å; L20-Y51 HydrophobicContact CD1-CG 4.08Å; L20-Y51 HydrophobicContact CD2-CD2 4.37Å; L20-Y51 HydrophobicContact CD2-CE1 4.2Å; L20-Y51 HydrophobicContact CD2-CE2 3.46Å; L20-Y51 VanDerWaalsContact CD2-CE2 3.46Å; L20-Y51 VanDerWaalsContact CD2-OH 3.27Å; L20-Y51 WeakPolarHBondContact CD2-OH 3.49Å; L20-Y51 HydrophobicContact CG-CD2 4.41Å; L20-Y51 HydrophobicContact CG-CE2 3.92Å; L44-Y51 HydrophobicContact CD1-CD1 4.14Å; L44-Y51 HydrophobicContact CD1-CG 4.48Å; T45-Y51 CarbonylContact O-C 3.57Å; T45-Y51 WeakPolarHBondContact O-CA 3.01Å; E46-Y51 HydrophobicContact CB-CD1 3.82Å; E46-Y51 HydrophobicContact CB-CE1 3.7Å; E46-Y51 HydrophobicContact CG-CD1 3.84Å; E46-Y51 HydrophobicContact CG-CE1 3.36Å; E46-Y51 PolarHBondContact OE1-OH 2.84Å; Y51-L208 VanDerWaalsContact CE1-O 3.29Å; Y51-L208 WeakPolarHBondContact CE1-O 3.48Å; Y51-L208 PolarHBondContact OH-O 2.76Å
52	T	98.7	Very high	97.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.8	171.3	-61.6	0	0	0	0	108.8	V12 T13 L44 T45 N50 V54 F115 T304 F305	V12-T52 HydrophobicContact CG1-CG2 4.36Å; T13-T52 CarbonylContact O-C 3.49Å; T13-T52 WeakPolarHBondContact O-CA 3.47Å; L44-T52 WeakPolarHBondContact CA-O 3.3Å; T45-T52 PolarHBondContact N-O 3.23Å; T45-T52 PolarHBondContact O-N 3.35Å; N50-T52 PolarHBondContact OD1-N 2.81Å; N50-T52 PolarHBondContact OD1-OG1 3.01Å; N50-T52 VanDerWaalsContact OD1-OG1 3.13Å; T52-V54 HydrophobicContact CG2-CG2 4.4Å; T52-F115 HydrophobicContact CG2-CZ 4.4Å; T52-T304 WeakPolarHBondContact OG1-CB 3.09Å; T52-F305 HydrophobicContact CG2-CB 4.16Å; T52-F305 WeakPolarHBondContact OG1-CB 3.33Å; T52-F305 PolarHBondContact OG1-N 3.43Å
53	V	98.6	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.7	175.2	-158	0	0	0	0	109.2	T13 I15 L27 F42 S43 L44 L55	T13-V53 PolarHBondContact N-O 3.11Å; T13-V53 PolarHBondContact O-N 2.87Å; T13-V53 WeakPolarHBondContact OG1-CB 3.45Å; T13-V53 PolarHBondContact OG1-O 2.84Å; I15-V53 HydrophobicContact CD1-CG2 3.7Å; I15-V53 HydrophobicContact CG1-CG2 4.29Å; L27-V53 HydrophobicContact CD2-CG2 4.38Å; F42-V53 HydrophobicContact CD2-CG1 4.12Å; F42-V53 HydrophobicContact CE2-CG1 3.59Å; F42-V53 HydrophobicContact CZ-CG1 4.39Å; S43-V53 CarbonylContact O-C 3.52Å; S43-V53 VanDerWaalsContact O-CA 3.26Å; S43-V53 WeakPolarHBondContact O-CA 3.31Å; S43-V53 WeakPolarHBondContact O-CG1 3.39Å; L44-V53 HydrophobicContact CD1-CG2 3.72Å; V53-L55 HydrophobicContact CB-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CD1 4.26Å; V53-L55 HydrophobicContact CG1-CD2 3.99Å
54	V	98.8	Very high	97.1	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.8	171.3	-175.8	0	0	0	0	107.3	L10 R11 V12 F41 F42 S43 T52 F115 L126	L10-V54 HydrophobicContact CB-CG1 4.4Å; L10-V54 HydrophobicContact CD1-CG1 4.21Å; R11-V54 WeakPolarHBondContact O-CA 3.4Å; V12-V54 HydrophobicContact CG1-CG2 4.35Å; V12-V54 HydrophobicContact CG2-CG1 4.49Å; V12-V54 HydrophobicContact CG2-CG2 4.32Å; F41-V54 HydrophobicContact CD1-CG1 4.44Å; F41-V54 HydrophobicContact CE1-CG1 3.9Å; F42-V54 CarbonylContact C-O 3.56Å; S43-V54 PolarHBondContact N-O 2.87Å; S43-V54 PolarHBondContact O-N 2.99Å; T52-V54 HydrophobicContact CG2-CG2 4.4Å; V54-F115 HydrophobicContact CG2-CE1 3.82Å; V54-F115 HydrophobicContact CG2-CZ 4.03Å; V54-L126 HydrophobicContact CG1-CD2 3.79Å
55	L	98.4	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.7	-174.5	67.5	178.8	0	0	0	112.7	L10 R11 T13 L30 F41 F42 V53 G59 F60 L63	L10-L55 CarbonylContact C-O 3.47Å; L10-L55 WeakPolarHBondContact CA-O 3.46Å; R11-L55 PolarHBondContact N-O 2.76Å; R11-L55 PolarHBondContact O-N 2.9Å; R11-L55 VanDerWaalsContact O-N 3.08Å; T13-L55 HydrophobicContact CG2-CD2 4.22Å; L30-L55 HydrophobicContact CD1-CD1 4.14Å; F41-L55 CarbonylContact O-C 3.53Å; F41-L55 WeakPolarHBondContact O-CA 3.4Å; F42-L55 HydrophobicContact CD2-CB 4.33Å; V53-L55 HydrophobicContact CB-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CD1 4.26Å; V53-L55 HydrophobicContact CG1-CD2 3.99Å; L55-G59 WeakPolarHBondContact CD1-O 3.39Å; L55-F60 HydrophobicContact CD1-CB 4.5Å; L55-F60 HydrophobicContact CD2-CD2 4.44Å; L55-F60 HydrophobicContact CG-CB 4.23Å; L55-L63 HydrophobicContact CD1-CD1 3.72Å; L55-L63 HydrophobicContact CD1-CG 4.13Å; L55-L63 HydrophobicContact CD2-CD1 4.1Å
56	D	98.1	Very high	96.9	Very high	12 Å²	12	36 Å²	36	6%	0.064	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	169.4	174.8	67.1	38.4	0	0	0	113.1	R9 L10 C39 K40 F41 E58 G59 F60	R9-D56 CarbonylContact O-C 3.57Å; R9-D56 VanDerWaalsContact O-CA 3.3Å; R9-D56 WeakPolarHBondContact O-CA 3.43Å; L10-D56 HydrophobicContact CD2-CB 4.04Å; C39-D56 WeakPolarHBondContact CA-OD2 3.48Å; K40-D56 PolarHBondContact N-OD2 2.93Å; F41-D56 HydrophobicContact CB-CB 4.17Å; F41-D56 PolarHBondContact N-OD2 3.43Å; F41-D56 PolarHBondContact O-N 3.3Å; D56-E58 PolarHBondContact O-N 2.81Å; D56-E58 WeakPolarHBondContact OD1-CA 3.09Å; D56-E58 WeakPolarHBondContact OD1-CB 3.26Å; D56-E58 PolarHBondContact OD1-N 2.81Å; D56-G59 PolarHBondContact O-N 3.48Å; D56-G59 PolarHBondContact OD1-N 3.3Å; D56-F60 WeakPolarHBondContact O-CB 3.4Å; D56-F60 PolarHBondContact O-N 3Å
57	E	96.9	Very high	96.8	Very high	71 Å²	71	44.4 Å²	44.4	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-26.9	179.4	-70.5	-172.3	119	0	0	113.8	R9 K61	R9-E57 HydrophobicContact CB-CG 3.97Å; R9-E57 IonicContact CZ-OE1 2.87Å; R9-E57 IonicContact CZ-OE2 2.85Å; R9-E57 IonicContact NE-OE2 3.19Å; R9-E57 IonicContact NH1-OE1 2.75Å; R9-E57 PolarHBondContact NH1-OE1 3.29Å; R9-E57 IonicContact NH1-OE2 4Å; R9-E57 PolarHBondContact NH1-OE2 3.43Å; R9-E57 PolarHBondContact O-N 3.06Å; E57-K61 WeakPolarHBondContact O-CE 3.42Å; E57-K61 WeakPolarHBondContact O-CG 3.41Å
58	E	96.8	Very high	96.9	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.243	25%	0.247	C	C	.	.	H	α-helix	trans	-75.9	-43.6	176.8	-70.8	-64.7	129.8	0	0	111.3	R38 D56 F60 K61	R38-E58 HydrophobicContact CB-CB 4.12Å; R38-E58 HydrophobicContact CB-CG 4.04Å; R38-E58 IonicContact CZ-OE1 2.77Å; R38-E58 IonicContact CZ-OE2 2.79Å; R38-E58 IonicContact NE-OE2 2.99Å; R38-E58 PolarHBondContact NE-OE2 3.24Å; R38-E58 IonicContact NH2-OE1 3.65Å; R38-E58 PolarHBondContact NH2-OE1 3.36Å; R38-E58 IonicContact NH2-OE2 2.64Å; R38-E58 PolarHBondContact NH2-OE2 3.12Å; D56-E58 PolarHBondContact O-N 2.81Å; D56-E58 WeakPolarHBondContact OD1-CA 3.09Å; D56-E58 WeakPolarHBondContact OD1-CB 3.26Å; D56-E58 PolarHBondContact OD1-N 2.81Å; E58-F60 VanDerWaalsContact C-N 3.35Å; E58-K61 PolarHBondContact O-N 2.97Å; E58-K61 IonicContact OE1-NZ 2.81Å; E58-K61 PolarHBondContact OE1-NZ 3.02Å; E58-K61 IonicContact OE2-NZ 3.43Å
59	G	97.2	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-39.9	172.4	0	0	0	0	0	112.3	L55 D56 K61 E62	L55-G59 WeakPolarHBondContact CD1-O 3.39Å; D56-G59 PolarHBondContact O-N 3.48Å; D56-G59 PolarHBondContact OD1-N 3.3Å; G59-K61 PolarHBondContact O-N 3.26Å; G59-E62 VanDerWaalsContact O-CB 3.31Å; G59-E62 WeakPolarHBondContact O-CB 3.3Å; G59-E62 PolarHBondContact O-N 2.95Å
60	F	97.9	Very high	97.4	Very high	45 Å²	45	47.2 Å²	47.2	20%	0.197	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-30.9	-179.4	-177.8	-107.3	0	0	0	112.9	R11 T13 L55 D56 E58 E62 L63 V71	R11-F60 HydrophobicContact CB-CB 4.41Å; R11-F60 HydrophobicContact CB-CD2 3.9Å; R11-F60 HydrophobicContact CB-CE2 4.44Å; R11-F60 HydrophobicContact CB-CG 4.14Å; R11-F60 HydrophobicContact CG-CB 4.08Å; R11-F60 HydrophobicContact CG-CD1 4.18Å; R11-F60 HydrophobicContact CG-CD2 4.08Å; R11-F60 HydrophobicContact CG-CG 3.84Å; T13-F60 HydrophobicContact CG2-CD2 3.98Å; T13-F60 HydrophobicContact CG2-CE2 3.75Å; L55-F60 HydrophobicContact CD1-CB 4.5Å; L55-F60 HydrophobicContact CD2-CD2 4.44Å; L55-F60 HydrophobicContact CG-CB 4.23Å; D56-F60 WeakPolarHBondContact O-CB 3.4Å; D56-F60 PolarHBondContact O-N 3Å; E58-F60 VanDerWaalsContact C-N 3.35Å; F60-E62 PolarHBondContact O-N 3.04Å; F60-L63 PolarHBondContact O-N 3.5Å; F60-V71 HydrophobicContact CE2-CG1 3.86Å; F60-V71 HydrophobicContact CE2-CG2 3.96Å; F60-V71 HydrophobicContact CZ-CG1 3.87Å; F60-V71 HydrophobicContact CZ-CG2 4.15Å
61	K	97.1	Very high	97.5	Very high	139 Å²	139	49.3 Å²	49.3	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	175.9	-69.7	164.9	-169.4	176.2	0	113.5	E57 E58 G59 L63	E57-K61 WeakPolarHBondContact O-CE 3.42Å; E57-K61 WeakPolarHBondContact O-CG 3.41Å; E58-K61 PolarHBondContact O-N 2.97Å; E58-K61 IonicContact OE1-NZ 2.81Å; E58-K61 PolarHBondContact OE1-NZ 3.02Å; E58-K61 IonicContact OE2-NZ 3.43Å; G59-K61 PolarHBondContact O-N 3.26Å; K61-L63 VanDerWaalsContact C-N 3.32Å
62	E	96.8	Very high	97.4	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.248	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.3	177	-63.7	-72.5	-179.1	0	0	112.6	P26 K29 L30 G59 F60	P26-E62 HydrophobicContact CB-CB 4.05Å; P26-E62 VanDerWaalsContact CB-O 3.26Å; P26-E62 WeakPolarHBondContact CB-O 3.33Å; K29-E62 WeakPolarHBondContact CD-OE1 3.31Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 PolarHBondContact NZ-OE1 3.14Å; K29-E62 IonicContact NZ-OE2 2.91Å; K29-E62 PolarHBondContact NZ-OE2 2.78Å; L30-E62 HydrophobicContact CD2-CG 4.4Å; G59-E62 VanDerWaalsContact O-CB 3.31Å; G59-E62 WeakPolarHBondContact O-CB 3.3Å; G59-E62 PolarHBondContact O-N 2.95Å; F60-E62 PolarHBondContact O-N 3.04Å
63	L	97.2	Very high	97.1	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	30%	0.295	C	S	.	.	S	Bend	trans	-92.3	104.8	-178.9	-55.5	-176.3	0	0	0	110.5	Y23 P26 L55 F60 K61 L69	Y23-L63 HydrophobicContact CD1-CD2 3.98Å; Y23-L63 HydrophobicContact CE1-CB 4.39Å; P26-L63 HydrophobicContact CB-CD2 4.18Å; P26-L63 HydrophobicContact CG-CD2 4.25Å; L55-L63 HydrophobicContact CD1-CD1 3.72Å; L55-L63 HydrophobicContact CD1-CG 4.13Å; L55-L63 HydrophobicContact CD2-CD1 4.1Å; F60-L63 PolarHBondContact O-N 3.5Å; K61-L63 VanDerWaalsContact C-N 3.32Å; L63-L69 HydrophobicContact CB-CD2 4.15Å; L63-L69 HydrophobicContact CD1-CD1 4.48Å
64	A	95.9	Very high	97	Very high	66 Å²	66	55.2 Å²	55.2	55%	0.545	30%	0.3	S	S	.	.			trans	-68.5	134.8	175.5	0	0	0	0	0	110.9	Y23	Y23-A64 WeakPolarHBondContact CE1-O 3.38Å; Y23-A64 PolarHBondContact OH-O 3.43Å
65	P	96.4	Very high	96.9	Very high	124 Å²	124	56.8 Å²	56.8	81%	0.805	31%	0.308	S	S	*	.			trans	-60.4	139.5	175.3	-23.8	33.8	0	0	0	112.5
66	S	96.6	Very high	96.9	Very high	45 Å²	45	56.8 Å²	56.8	32%	0.315	31%	0.308	S	S	.	.			trans	-156.6	171.4	173.9	80.9	0	0	0	0	110.7	Y23 H68 L69	Y23-S66 VanDerWaalsContact OH-CB 3.27Å; Y23-S66 WeakPolarHBondContact OH-CB 3.02Å; Y23-S66 PolarHBondContact OH-OG 2.87Å; S66-H68 PolarHBondContact O-N 3.4Å; S66-H68 VanDerWaalsContact O-N 3.13Å; S66-H68 PolarHBondContact OG-N 2.72Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-L69 VanDerWaalsContact O-N 3.15Å
67	E	96.4	Very high	96.9	Very high	177 Å²	177	56.9 Å²	56.9	83%	0.827	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.3	171.5	67.6	-176.5	139.3	0	0	114.2
68	H	97.2	Very high	96.9	Very high	47 Å²	47	53.5 Å²	53.5	22%	0.218	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.7	-179.6	-60.9	-48.8	0	0	0	114.4	I15 S16 G19 Y23 S66	I15-H68 WeakPolarHBondContact CA-O 3.46Å; S16-H68 PolarHBondContact N-O 2.91Å; S16-H68 WeakPolarHBondContact OG-CB 3.45Å; S16-H68 PolarHBondContact OG-ND1 3.38Å; G19-H68 VanDerWaalsContact CA-CD2 3.44Å; G19-H68 WeakPolarHBondContact CA-CD2 3.14Å; G19-H68 VanDerWaalsContact CA-CG 3.45Å; Y23-H68 HydrophobicContact CE2-CB 4.35Å; S66-H68 PolarHBondContact O-N 3.4Å; S66-H68 VanDerWaalsContact O-N 3.13Å; S66-H68 PolarHBondContact OG-N 2.72Å
69	L	98.1	Very high	96.9	Very high	19 Å²	19	51 Å²	51	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.6	-178.9	-179.7	73.6	0	0	0	109.7	S14 I15 Y23 L63 S66 V71	S14-L69 WeakPolarHBondContact O-CA 3.26Å; I15-L69 HydrophobicContact CD1-CD1 4.48Å; I15-L69 HydrophobicContact CG1-CD1 3.62Å; Y23-L69 HydrophobicContact CE1-CB 4.38Å; Y23-L69 HydrophobicContact CE1-CD1 4.41Å; Y23-L69 HydrophobicContact CE1-CD2 4.16Å; Y23-L69 HydrophobicContact CE2-CB 4.4Å; Y23-L69 WeakPolarHBondContact OH-CB 3.29Å; L63-L69 HydrophobicContact CB-CD2 4.15Å; L63-L69 HydrophobicContact CD1-CD1 4.48Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-L69 VanDerWaalsContact O-N 3.15Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.87Å
70	Q	98.1	Very high	96.7	Very high	110 Å²	110	52.2 Å²	52.2	51%	0.514	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.5	169.1	-62.6	-178.6	-3.7	0	0	108.7	T13 S14 F305	T13-Q70 CarbonylContact C-O 3.48Å; T13-Q70 WeakPolarHBondContact CA-O 3.48Å; T13-Q70 WeakPolarHBondContact CB-O 3.36Å; S14-Q70 PolarHBondContact N-O 3.38Å; S14-Q70 PolarHBondContact O-N 3.03Å; Q70-F305 HydrophobicContact CB-CE1 4.07Å; Q70-F305 HydrophobicContact CB-CE2 4.36Å; Q70-F305 HydrophobicContact CB-CZ 3.75Å; Q70-F305 VanDerWaalsContact OE1-CE1 3.22Å
71	V	97.6	Very high	96.3	Very high	54 Å²	54	51.1 Å²	51.1	33%	0.327	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.8	-176.7	-178.1	0	0	0	0	107.8	T13 F60 L69	T13-V71 HydrophobicContact CG2-CB 4.44Å; T13-V71 HydrophobicContact CG2-CG1 4.17Å; T13-V71 HydrophobicContact CG2-CG2 4.06Å; F60-V71 HydrophobicContact CE2-CG1 3.86Å; F60-V71 HydrophobicContact CE2-CG2 3.96Å; F60-V71 HydrophobicContact CZ-CG1 3.87Å; F60-V71 HydrophobicContact CZ-CG2 4.15Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.87Å
72	E	96.1	Very high	95.7	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.079	26%	0.264	C	S	.	.			trans	-70.4	141.3	171.6	-159	-73	122.2	0	0	109.6	R11 V12 S74 W76 F279 F305	R11-E72 PolarHBondContact NH2-O 3.5Å; V12-E72 HydrophobicContact CB-CB 4.26Å; V12-E72 WeakPolarHBondContact O-CB 3.49Å; V12-E72 PolarHBondContact O-N 3.34Å; E72-S74 PolarHBondContact OE1-N 2.56Å; E72-S74 PolarHBondContact OE1-OG 2.65Å; E72-S74 VanDerWaalsContact OE1-OG 3.07Å; E72-S74 VanDerWaalsContact OE2-CA 3.26Å; E72-S74 WeakPolarHBondContact OE2-CA 3.38Å; E72-S74 WeakPolarHBondContact OE2-CB 3.44Å; E72-S74 PolarHBondContact OE2-N 3.16Å; E72-S74 PolarHBondContact OE2-OG 2.91Å; E72-W76 PolarHBondContact OE2-NE1 2.65Å; E72-F279 HydrophobicContact CB-CD2 4.32Å; E72-F279 HydrophobicContact CB-CE2 4.07Å; E72-F279 HydrophobicContact CB-CZ 4.18Å; E72-F279 HydrophobicContact CG-CB 4.14Å; E72-F279 HydrophobicContact CG-CD1 3.94Å; E72-F279 HydrophobicContact CG-CD2 3.38Å; E72-F279 HydrophobicContact CG-CE1 4.16Å; E72-F279 HydrophobicContact CG-CE2 3.62Å; E72-F279 HydrophobicContact CG-CG 3.54Å; E72-F279 HydrophobicContact CG-CZ 4Å; E72-F305 HydrophobicContact CB-CE2 4.37Å
73	S	93.1	Very high	94.3	Very high	104 Å²	104	46.5 Å²	46.5	73%	0.727	28%	0.277	S	S	*	.	S	Bend	trans	-71.8	-29.8	-169.9	63.7	0	0	0	0	114.3
74	S	96.4	Very high	92.1	Very high	14 Å²	14	50.7 Å²	50.7	10%	0.098	30%	0.299	C	S	.	.	S	Bend	trans	-84.7	158.4	-174.3	-46.9	0	0	0	0	111.2	E72 R128	E72-S74 PolarHBondContact OE1-N 2.56Å; E72-S74 PolarHBondContact OE1-OG 2.65Å; E72-S74 VanDerWaalsContact OE1-OG 3.07Å; E72-S74 VanDerWaalsContact OE2-CA 3.26Å; E72-S74 WeakPolarHBondContact OE2-CA 3.38Å; E72-S74 WeakPolarHBondContact OE2-CB 3.44Å; E72-S74 PolarHBondContact OE2-N 3.16Å; E72-S74 PolarHBondContact OE2-OG 2.91Å; S74-R128 WeakPolarHBondContact OG-CD 3.39Å
75	I	97.6	Very high	89.8	Confident	36 Å²	36	51.2 Å²	51.2	19%	0.185	31%	0.311	C	S	.	.			trans	-97.3	134.8	166.6	-63.3	175.8	0	0	0	106.9	R9 R128 E129	R9-I75 HydrophobicContact CB-CG2 3.83Å; R9-I75 HydrophobicContact CG-CG2 4.34Å; I75-R128 CarbonylContact O-C 3.51Å; I75-R128 WeakPolarHBondContact O-CA 3.4Å; I75-E129 HydrophobicContact CB-CB 4.36Å; I75-E129 HydrophobicContact CG2-CB 4.48Å; I75-E129 PolarHBondContact O-N 3.29Å
76	W	98.3	Very high	87	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	-177	-63.2	77.9	0	0	0	110.2	L10 V12 E72 F115 L126 V127 R128 F279	L10-W76 HydrophobicContact CB-CB 4.18Å; L10-W76 WeakPolarHBondContact CB-O 3.36Å; L10-W76 PolarHBondContact N-O 3.16Å; L10-W76 PolarHBondContact O-N 2.69Å; V12-W76 HydrophobicContact CG2-CG 4.22Å; E72-W76 PolarHBondContact OE2-NE1 2.65Å; W76-F115 HydrophobicContact CE3-CB 4.09Å; W76-F115 HydrophobicContact CH2-CB 4.2Å; W76-F115 HydrophobicContact CZ3-CB 3.8Å; W76-L126 HydrophobicContact CB-CB 4.17Å; W76-L126 HydrophobicContact CB-CD2 4.12Å; W76-L126 HydrophobicContact CB-CG 4.41Å; W76-L126 HydrophobicContact CD2-CB 4.48Å; W76-L126 HydrophobicContact CE3-CB 3.86Å; W76-L126 WeakPolarHBondContact CZ3-O 3.28Å; W76-V127 CarbonylContact C-O 3.55Å; W76-V127 VanDerWaalsContact CA-O 3.32Å; W76-V127 WeakPolarHBondContact CA-O 3.43Å; W76-R128 HydrophobicContact CD2-CG 3.96Å; W76-R128 HydrophobicContact CE3-CG 3.9Å; W76-R128 HydrophobicContact CH2-CG 3.72Å; W76-R128 HydrophobicContact CZ2-CG 3.73Å; W76-R128 HydrophobicContact CZ3-CG 3.8Å; W76-F279 HydrophobicContact CH2-CB 4.46Å; W76-F279 HydrophobicContact CH2-CD1 4.34Å; W76-F279 HydrophobicContact CZ2-CB 4.07Å; W76-F279 AromaticContact CZ2-CD1 3.82Å; W76-F279 HydrophobicContact CZ2-CD1 3.82Å; W76-F279 HydrophobicContact CZ2-CG 4.31Å
77	L	97.9	Very high	84.4	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.7	176.6	-57.9	179.5	0	0	0	107.8	R9 L126 V127 E129 L132	R9-L77 HydrophobicContact CG-CD2 4.12Å; L77-L126 WeakPolarHBondContact O-CA 3.31Å; L77-V127 HydrophobicContact CB-CG2 4.38Å; L77-V127 PolarHBondContact N-O 2.85Å; L77-V127 PolarHBondContact O-N 3.19Å; L77-E129 HydrophobicContact CD1-CB 4.16Å; L77-E129 HydrophobicContact CD1-CG 4.16Å; L77-E129 HydrophobicContact CG-CB 4.14Å; L77-L132 HydrophobicContact CD1-CB 4.39Å; L77-L132 HydrophobicContact CD1-CD1 4.16Å; L77-L132 HydrophobicContact CD1-CD2 3.75Å; L77-L132 HydrophobicContact CD1-CG 4.31Å
78	P	97.3	Very high	81.8	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.2	176.6	30.6	-29.8	0	0	0	110.2	L6 H8 L10 F41 F124 L126	L6-P78 HydrophobicContact CB-CG 4.12Å; L6-P78 HydrophobicContact CD1-CB 4.4Å; L6-P78 HydrophobicContact CD1-CG 4.32Å; L6-P78 PolarHBondContact N-O 3.26Å; L6-P78 VanDerWaalsContact N-O 3.1Å; H8-P78 HydrophobicContact CB-CG 3.8Å; H8-P78 WeakPolarHBondContact O-CD 3.49Å; L10-P78 HydrophobicContact CD1-CB 3.96Å; L10-P78 HydrophobicContact CD1-CG 3.76Å; L10-P78 HydrophobicContact CG-CG 4.34Å; F41-P78 HydrophobicContact CE2-CB 4.21Å; F41-P78 HydrophobicContact CE2-CG 4.23Å; P78-F124 HydrophobicContact CB-CD1 4.3Å; P78-L126 HydrophobicContact CB-CD1 4.13Å; P78-L126 HydrophobicContact CB-CG 4.35Å
79	L	95.9	Very high	79.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.6	169.1	-46.1	174.6	0	0	0	109	L3 Q4 I5 I125 V127 V135	L3-L79 HydrophobicContact CD1-CB 4.19Å; Q4-L79 CarbonylContact O-C 3.59Å; Q4-L79 WeakPolarHBondContact O-CA 3.32Å; I5-L79 HydrophobicContact CB-CD2 4.21Å; I5-L79 HydrophobicContact CG1-CD2 3.63Å; I5-L79 HydrophobicContact CG2-CD2 4.26Å; L79-I125 HydrophobicContact CB-CB 4.25Å; L79-I125 WeakPolarHBondContact CB-O 3.43Å; L79-I125 WeakPolarHBondContact CG-O 3.3Å; L79-I125 PolarHBondContact N-O 3.45Å; L79-I125 PolarHBondContact O-N 3.21Å; L79-V127 HydrophobicContact CD1-CB 4.48Å; L79-V127 HydrophobicContact CD1-CG1 3.72Å; L79-V127 HydrophobicContact CD1-CG2 3.9Å; L79-V127 HydrophobicContact CD2-CG2 4.15Å; L79-V127 HydrophobicContact CG-CG1 4.42Å; L79-V127 HydrophobicContact CG-CG2 3.98Å; L79-V135 HydrophobicContact CD1-CG1 3.73Å
80	N	93.6	Very high	76.8	Confident	24 Å²	24	57.7 Å²	57.7	13%	0.128	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137	174.5	-176.5	43.8	0	0	0	109.6	Q4 L6 T122	Q4-N80 HydrophobicContact CB-CB 4.43Å; Q4-N80 PolarHBondContact N-O 2.94Å; Q4-N80 PolarHBondContact O-N 3.14Å; Q4-N80 PolarHBondContact OE1-ND2 3.41Å; L6-N80 HydrophobicContact CD1-CB 4.26Å; L6-N80 HydrophobicContact CD2-CB 4.28Å; L6-N80 HydrophobicContact CG-CB 4.41Å; N80-T122 PolarHBondContact OD1-OG1 2.87Å
81	V	89.8	Confident	74.6	Confident	22 Å²	22	54.7 Å²	54.7	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.2	177.5	179.6	0	0	0	0	108.9	L3 S83 I99 V103 I125 F143	L3-V81 HydrophobicContact CD1-CG2 3.74Å; V81-S83 PolarHBondContact O-N 3.05Å; V81-I99 HydrophobicContact CB-CG2 4Å; V81-I99 HydrophobicContact CG1-CG2 4.22Å; V81-I99 HydrophobicContact CG2-CG2 3.84Å; V81-V103 HydrophobicContact CG2-CG2 3.96Å; V81-I125 HydrophobicContact CG2-CD1 4.28Å; V81-F143 HydrophobicContact CG1-CE1 3.81Å
82	A	83	Confident	72.8	Confident	21 Å²	21	60.3 Å²	60.3	17%	0.174	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	107.3	172.7	0	0	0	0	0	109.2	D2 N84	D2-A82 HydrophobicContact CB-CB 4.36Å; D2-A82 PolarHBondContact N-O 3.34Å; D2-A82 PolarHBondContact O-N 3.45Å; A82-N84 PolarHBondContact O-N 3.07Å; A82-N84 VanDerWaalsContact O-N 3.17Å
83	S	67	Low	71.2	Confident	75 Å²	75	59.5 Å²	59.5	52%	0.524	39%	0.386	S	S	.	.			trans	-81.5	92.6	172.4	-135.7	0	0	0	0	108.8	V81 G85	V81-S83 PolarHBondContact O-N 3.05Å; S83-G85 PolarHBondContact O-N 2.79Å; S83-G85 VanDerWaalsContact O-N 3.15Å
84	N	52.6	Low	70.3	Confident	94 Å²	94	57.7 Å²	57.7	50%	0.503	37%	0.37	S	S	.	.			trans	-59.7	118.3	165.6	-70.7	-13.6	0	0	0	106.8	D2 A82 N86	D2-N84 PolarHBondContact OD2-ND2 3.43Å; A82-N84 PolarHBondContact O-N 3.07Å; A82-N84 VanDerWaalsContact O-N 3.17Å; N84-N86 PolarHBondContact O-N 2.99Å
85	G	46.7	Very low	69.6	Low	77 Å²	77	57.1 Å²	57.1	79%	0.794	37%	0.366	S	S	*	.	S	Bend	trans	-62.2	33	-165.7	0	0	0	0	0	118.3	S83	S83-G85 PolarHBondContact O-N 2.79Å; S83-G85 VanDerWaalsContact O-N 3.15Å
86	N	38.1	Very low	68.9	Low	165 Å²	165	55.4 Å²	55.4	88%	0.882	36%	0.358	S	S	*	.			trans	-118.7	16.5	179.1	-82.1	-3.3	0	0	0	113.6	N84	N84-N86 PolarHBondContact O-N 2.99Å
87	A	42.3	Very low	68.3	Low	50 Å²	50	55.6 Å²	55.6	41%	0.413	36%	0.359	S	S	.	.			trans	-88.1	110	166.9	0	0	0	0	0	109	S89	A87-S89 PolarHBondContact O-N 2.87Å
88	S	40.5	Very low	67.7	Low	126 Å²	126	60.7 Å²	60.7	88%	0.881	38%	0.38	S	S	*	.			trans	-68.1	52.5	166.7	56.8	0	0	0	0	111.4
89	S	44.5	Very low	67.3	Low	84 Å²	84	61.3 Å²	61.3	59%	0.587	38%	0.384	S	S	*	.			trans	-81.6	117.5	173.9	58.3	0	0	0	0	108.4	A87 S91	A87-S89 PolarHBondContact O-N 2.87Å; S89-S91 PolarHBondContact O-N 2.75Å
90	S	47.5	Very low	66.9	Low	124 Å²	124	61.3 Å²	61.3	87%	0.867	38%	0.384	S	S	*	.			trans	-65.1	3	178.3	53.9	0	0	0	0	115.1
91	S	51.4	Low	66.7	Low	46 Å²	46	66 Å²	66	32%	0.322	40%	0.403	S	S	.	.			trans	-88.1	122.7	-179.6	172.2	0	0	0	0	109.3	S89 A93 D296	S89-S91 PolarHBondContact O-N 2.75Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-D296 VanDerWaalsContact CA-OD1 3.31Å; S91-D296 WeakPolarHBondContact CA-OD1 3.31Å; S91-D296 VanDerWaalsContact CB-OD1 3.3Å; S91-D296 WeakPolarHBondContact CB-OD1 3.32Å; S91-D296 PolarHBondContact OG-OD1 3.08Å
92	Q	59.8	Low	66.7	Low	172 Å²	172	65.6 Å²	65.6	80%	0.804	40%	0.401	S	S	*	.			trans	-85.2	-13.4	175.4	-65.1	-172.5	-4.3	0	0	111.9	D296	Q92-D296 PolarHBondContact N-OD1 3.32Å; Q92-D296 PolarHBondContact N-OD2 2.79Å; Q92-D296 VanDerWaalsContact N-OD2 3.16Å
93	A	61.6	Low	67.1	Low	0 Å²	0	64.6 Å²	64.6	0%	0	39%	0.393	C	S	.	.			trans	-57.5	139.6	-177.9	0	0	0	0	0	112.8	S91 T97 K98 D296 S298	S91-A93 VanDerWaalsContact C-N 3.34Å; A93-T97 HydrophobicContact CB-CG2 3.65Å; A93-K98 WeakPolarHBondContact O-CE 3.46Å; A93-K98 WeakPolarHBondContact O-CG 3.36Å; A93-D296 VanDerWaalsContact CB-OD1 3.3Å; A93-D296 WeakPolarHBondContact CB-OD1 3.35Å; A93-D296 PolarHBondContact N-OD1 2.64Å; A93-D296 VanDerWaalsContact N-OD1 3.13Å; A93-S298 WeakPolarHBondContact CA-OG 3.4Å
94	V	75.2	Confident	68.4	Low	66 Å²	66	61.2 Å²	61.2	40%	0.4	37%	0.369	S	S	.	.			trans	-107.7	157.6	176.9	-177	0	0	0	0	110.4	S298 A299	V94-S298 PolarHBondContact N-OG 3.31Å; V94-S298 VanDerWaalsContact O-CA 3.31Å; V94-S298 WeakPolarHBondContact O-CA 3.18Å; V94-A299 PolarHBondContact O-N 2.77Å
95	G	80.5	Confident	70.3	Confident	2 Å²	2	57 Å²	57	2%	0.021	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	87.2	-151	173.2	0	0	0	0	0	114.1	T97 K98 D123 A299	G95-T97 PolarHBondContact O-N 2.7Å; G95-K98 PolarHBondContact O-N 2.92Å; G95-D123 WeakPolarHBondContact CA-OD2 3.28Å; G95-A299 CarbonylContact C-O 3.45Å; G95-A299 VanDerWaalsContact CA-O 3.32Å; G95-A299 WeakPolarHBondContact CA-O 3.39Å
96	V	83.3	Confident	72.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.6	-178.1	74.2	0	0	0	0	112.8	K98 I99 A100 I104 M116 V285 A299 Y301	V96-K98 PolarHBondContact O-N 3.35Å; V96-I99 HydrophobicContact CG2-CD1 4.26Å; V96-I99 HydrophobicContact CG2-CG1 4.22Å; V96-I99 WeakPolarHBondContact O-CG1 3.41Å; V96-I99 PolarHBondContact O-N 3.01Å; V96-I99 VanDerWaalsContact O-N 3.11Å; V96-A100 PolarHBondContact O-N 2.9Å; V96-I104 HydrophobicContact CG2-CD1 4.47Å; V96-I104 HydrophobicContact CG2-CG1 4.18Å; V96-M116 HydrophobicContact CB-CE 4.28Å; V96-M116 HydrophobicContact CG2-CE 3.62Å; V96-M116 HydrophobicContact CG2-SD 4.49Å; V96-V285 HydrophobicContact CG2-CG1 4.24Å; V96-A299 HydrophobicContact CG1-CB 4Å; V96-A299 WeakPolarHBondContact CG1-O 3.44Å; V96-A299 PolarHBondContact N-O 3.09Å; V96-Y301 HydrophobicContact CG1-CD2 4.27Å
97	T	85.3	Confident	75.2	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.031	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.7	-37	178.7	-54.3	0	0	0	0	112.3	A93 G95 I99 A100 A293 I297 A299	A93-T97 HydrophobicContact CB-CG2 3.65Å; G95-T97 PolarHBondContact O-N 2.7Å; T97-I99 VanDerWaalsContact C-N 3.28Å; T97-I99 PolarHBondContact O-N 3.15Å; T97-A100 WeakPolarHBondContact O-CB 3.46Å; T97-A100 PolarHBondContact O-N 3.37Å; T97-A293 HydrophobicContact CG2-CB 3.55Å; T97-I297 WeakPolarHBondContact CB-O 3.39Å; T97-I297 WeakPolarHBondContact CG2-O 3.3Å; T97-I297 PolarHBondContact OG1-O 3.03Å; T97-A299 PolarHBondContact OG1-N 2.8Å
98	K	86.4	Confident	77.5	Confident	121 Å²	121	45 Å²	45	53%	0.526	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-64.1	-32.8	179.1	-70.1	-174.1	172.8	175.9	0	113.3	A93 G95 V96	A93-K98 WeakPolarHBondContact O-CE 3.46Å; A93-K98 WeakPolarHBondContact O-CG 3.36Å; G95-K98 PolarHBondContact O-N 2.92Å; V96-K98 PolarHBondContact O-N 3.35Å
99	I	88.3	Confident	79.9	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.072	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-103.1	0.3	-174.6	57.4	166.8	0	0	0	112.3	V81 V96 T97 K101 V103 I104 M116 I125	V81-I99 HydrophobicContact CB-CG2 4Å; V81-I99 HydrophobicContact CG1-CG2 4.22Å; V81-I99 HydrophobicContact CG2-CG2 3.84Å; V96-I99 HydrophobicContact CG2-CD1 4.26Å; V96-I99 HydrophobicContact CG2-CG1 4.22Å; V96-I99 WeakPolarHBondContact O-CG1 3.41Å; V96-I99 PolarHBondContact O-N 3.01Å; V96-I99 VanDerWaalsContact O-N 3.11Å; T97-I99 VanDerWaalsContact C-N 3.28Å; T97-I99 PolarHBondContact O-N 3.15Å; I99-K101 PolarHBondContact O-N 3.45Å; I99-V103 HydrophobicContact CB-CB 4.26Å; I99-V103 HydrophobicContact CB-CG2 4.25Å; I99-V103 WeakPolarHBondContact O-CA 3.45Å; I99-V103 PolarHBondContact O-N 2.81Å; I99-I104 HydrophobicContact CD1-CD1 4.23Å; I99-I104 HydrophobicContact CD1-CG1 4.41Å; I99-I104 HydrophobicContact CG1-CG1 4.3Å; I99-I104 PolarHBondContact O-N 3.47Å; I99-M116 HydrophobicContact CD1-CE 4.21Å; I99-I125 HydrophobicContact CD1-CD1 3.44Å; I99-I125 VanDerWaalsContact CD1-CD1 3.44Å; I99-I125 HydrophobicContact CD1-CG1 3.74Å
100	A	88.4	Confident	82.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-57.6	-46.2	-176.8	0	0	0	0	0	112.3	V96 T97 A105 S289 A293	V96-A100 PolarHBondContact O-N 2.9Å; T97-A100 WeakPolarHBondContact O-CB 3.46Å; T97-A100 PolarHBondContact O-N 3.37Å; A100-A105 VanDerWaalsContact O-CB 3.24Å; A100-A105 WeakPolarHBondContact O-CB 3.45Å; A100-A105 PolarHBondContact O-N 3.47Å; A100-S289 WeakPolarHBondContact CB-O 3.31Å; A100-S289 WeakPolarHBondContact CB-OG 3.4Å; A100-A293 HydrophobicContact CB-CB 3.83Å
101	K	87.8	Confident	84.2	Confident	121 Å²	121	43.9 Å²	43.9	53%	0.526	22%	0.22	S	C	.	.	I	π-helix	trans	-83.5	-35.5	-176.2	-68	-179.6	178.6	174.5	0	113.5	I99 P106 D294	I99-K101 PolarHBondContact O-N 3.45Å; K101-P106 WeakPolarHBondContact O-CD 3.37Å; K101-D294 WeakPolarHBondContact CE-OD1 3.33Å; K101-D294 IonicContact NZ-OD1 3.55Å; K101-D294 PolarHBondContact NZ-OD1 3.04Å
102	S	89.6	Confident	86.2	Confident	15 Å²	15	41.8 Å²	41.8	11%	0.105	21%	0.205	C	C	.	.	I	π-helix	trans	-92.1	-23.8	-173.1	54.1	0	0	0	0	113.9	E142 F143	S102-E142 WeakPolarHBondContact CB-OE2 3.13Å; S102-F143 WeakPolarHBondContact O-CE2 3.23Å
103	V	92.9	Very high	87.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-124.4	-57.8	-178.2	-174.5	0	0	0	0	112.1	V81 I99 A105 P106 L107 I125 L139 F143	V81-V103 HydrophobicContact CG2-CG2 3.96Å; I99-V103 HydrophobicContact CB-CB 4.26Å; I99-V103 HydrophobicContact CB-CG2 4.25Å; I99-V103 WeakPolarHBondContact O-CA 3.45Å; I99-V103 PolarHBondContact O-N 2.81Å; V103-A105 PolarHBondContact O-N 2.94Å; V103-P106 WeakPolarHBondContact O-CD 3.28Å; V103-L107 HydrophobicContact CG1-CD1 3.83Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 WeakPolarHBondContact O-CB 3.36Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3Å; V103-L107 PolarHBondContact O-N 2.83Å; V103-L107 VanDerWaalsContact O-N 3.14Å; V103-I125 HydrophobicContact CB-CD1 4.36Å; V103-I125 HydrophobicContact CG1-CD1 3.7Å; V103-L139 HydrophobicContact CG1-CD1 3.91Å; V103-L139 HydrophobicContact CG1-CD2 4.39Å; V103-F143 HydrophobicContact CG2-CE1 4.42Å; V103-F143 HydrophobicContact CG2-CE2 3.86Å; V103-F143 HydrophobicContact CG2-CZ 3.63Å
104	I	93.6	Very high	89.4	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.175	C	C	.	.	I	π-helix	trans	-63.9	-45.9	-171.1	-55.2	-57.6	0	0	0	111.5	V96 I99 A108 M116 I125 V285 A286	V96-I104 HydrophobicContact CG2-CD1 4.47Å; V96-I104 HydrophobicContact CG2-CG1 4.18Å; I99-I104 HydrophobicContact CD1-CD1 4.23Å; I99-I104 HydrophobicContact CD1-CG1 4.41Å; I99-I104 HydrophobicContact CG1-CG1 4.3Å; I99-I104 PolarHBondContact O-N 3.47Å; I104-A108 WeakPolarHBondContact O-CB 3.17Å; I104-A108 PolarHBondContact O-N 2.96Å; I104-M116 HydrophobicContact CD1-CE 4.4Å; I104-M116 HydrophobicContact CD1-SD 3.67Å; I104-I125 HydrophobicContact CD1-CG1 4.38Å; I104-I125 HydrophobicContact CD1-CG2 4.3Å; I104-V285 HydrophobicContact CD1-CG1 4.43Å; I104-V285 HydrophobicContact CG1-CG1 4.48Å; I104-V285 HydrophobicContact CG2-CB 3.9Å; I104-V285 HydrophobicContact CG2-CG1 3.77Å; I104-A286 HydrophobicContact CG2-CB 3.92Å
105	A	92.6	Very high	90.5	Very high	6 Å²	6	32 Å²	32	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-48.6	-178.7	0	0	0	0	0	113.8	A100 V103 L107 A108 Q109 Q290	A100-A105 VanDerWaalsContact O-CB 3.24Å; A100-A105 WeakPolarHBondContact O-CB 3.45Å; A100-A105 PolarHBondContact O-N 3.47Å; V103-A105 PolarHBondContact O-N 2.94Å; A105-L107 VanDerWaalsContact C-N 3.33Å; A105-L107 PolarHBondContact O-N 2.88Å; A105-A108 PolarHBondContact O-N 3.15Å; A105-Q109 WeakPolarHBondContact O-CG 3.43Å; A105-Q109 PolarHBondContact O-N 2.9Å; A105-Q290 HydrophobicContact CB-CG 4.31Å
106	P	93.2	Very high	91.3	Very high	21 Å²	21	32 Å²	32	14%	0.136	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-41.6	173.9	-28.3	36.1	0	0	0	113.4	K101 V103 A108 Q109 Q110 T138 L139	K101-P106 WeakPolarHBondContact O-CD 3.37Å; V103-P106 WeakPolarHBondContact O-CD 3.28Å; P106-A108 PolarHBondContact O-N 3.03Å; P106-Q109 PolarHBondContact O-N 2.94Å; P106-Q110 WeakPolarHBondContact O-CG 3.36Å; P106-Q110 PolarHBondContact O-N 3.23Å; P106-Q110 VanDerWaalsContact O-N 3.12Å; P106-T138 HydrophobicContact CB-CG2 3.69Å; P106-L139 HydrophobicContact CB-CD2 4.32Å
107	L	93.9	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-41.8	177.5	-70.2	-176.7	0	0	0	112.1	V103 A105 Q109 Q110 H111 V112 V114 V127 V135 T138 L139	V103-L107 HydrophobicContact CG1-CD1 3.83Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 WeakPolarHBondContact O-CB 3.36Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3Å; V103-L107 PolarHBondContact O-N 2.83Å; V103-L107 VanDerWaalsContact O-N 3.14Å; A105-L107 VanDerWaalsContact C-N 3.33Å; A105-L107 PolarHBondContact O-N 2.88Å; L107-Q109 PolarHBondContact O-N 3.44Å; L107-Q110 CarbonylContact O-C 3.51Å; L107-Q110 PolarHBondContact O-N 2.91Å; L107-H111 PolarHBondContact O-N 3.35Å; L107-V112 HydrophobicContact CB-CB 4.18Å; L107-V112 HydrophobicContact CD2-CB 4.27Å; L107-V112 HydrophobicContact CD2-CG1 4.38Å; L107-V112 HydrophobicContact CD2-CG2 4.34Å; L107-V112 WeakPolarHBondContact O-CB 3.4Å; L107-V112 PolarHBondContact O-N 2.55Å; L107-V114 HydrophobicContact CB-CG1 4.36Å; L107-V114 HydrophobicContact CD1-CG1 3.91Å; L107-V127 HydrophobicContact CD1-CG1 4.32Å; L107-V135 HydrophobicContact CD2-CB 4.24Å; L107-V135 HydrophobicContact CD2-CG1 4.25Å; L107-V135 HydrophobicContact CD2-CG2 3.86Å; L107-T138 HydrophobicContact CD2-CG2 4.48Å; L107-L139 HydrophobicContact CD1-CD1 4.43Å; L107-L139 HydrophobicContact CD2-CD1 4.2Å; L107-L139 HydrophobicContact CD2-CG 4.3Å; L107-L139 HydrophobicContact CG-CD1 4.41Å
108	A	92	Very high	92.5	Very high	19 Å²	19	32 Å²	32	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-41.4	175.1	0	0	0	0	0	112.4	I104 A105 P106 Q110 H111 A286	I104-A108 WeakPolarHBondContact O-CB 3.17Å; I104-A108 PolarHBondContact O-N 2.96Å; A105-A108 PolarHBondContact O-N 3.15Å; P106-A108 PolarHBondContact O-N 3.03Å; A108-Q110 PolarHBondContact O-N 3.12Å; A108-H111 PolarHBondContact O-N 3.3Å; A108-A286 HydrophobicContact CB-CB 3.96Å
109	Q	91.2	Very high	92.9	Very high	136 Å²	136	26.3 Å²	26.3	64%	0.636	13%	0.132	S	C	*	.	H	α-helix	trans	-63.7	-29.7	177	-71.5	170.5	-0.3	0	0	112.9	A105 P106 L107 H111	A105-Q109 WeakPolarHBondContact O-CG 3.43Å; A105-Q109 PolarHBondContact O-N 2.9Å; P106-Q109 PolarHBondContact O-N 2.94Å; L107-Q109 PolarHBondContact O-N 3.44Å; Q109-H111 VanDerWaalsContact C-N 3.29Å
110	Q	90.9	Very high	93.2	Very high	98 Å²	98	28 Å²	28	46%	0.458	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12.4	175.7	-60.8	-62.1	-29.1	0	0	113.1	P106 L107 A108 V112 V134 T138	P106-Q110 WeakPolarHBondContact O-CG 3.36Å; P106-Q110 PolarHBondContact O-N 3.23Å; P106-Q110 VanDerWaalsContact O-N 3.12Å; L107-Q110 CarbonylContact O-C 3.51Å; L107-Q110 PolarHBondContact O-N 2.91Å; A108-Q110 PolarHBondContact O-N 3.12Å; Q110-V112 HydrophobicContact CB-CG2 4.4Å; Q110-V112 PolarHBondContact O-N 2.87Å; Q110-V134 HydrophobicContact CB-CG1 3.93Å; Q110-T138 HydrophobicContact CG-CG2 3.8Å; Q110-T138 WeakPolarHBondContact CG-OG1 3.07Å
111	H	89.8	Confident	93.3	Very high	77 Å²	77	31.4 Å²	31.4	36%	0.356	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	38	-179.6	-53.9	-66.8	0	0	0	113.5	L107 A108 Q109 C282	L107-H111 PolarHBondContact O-N 3.35Å; A108-H111 PolarHBondContact O-N 3.3Å; Q109-H111 VanDerWaalsContact C-N 3.29Å; H111-C282 PolarHBondContact O-SG 2.75Å
112	V	93.1	Very high	93.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.14	C	C	.	.			trans	-91.8	116.8	169.6	-179.8	0	0	0	0	108.1	L107 Q110 V127 D131 V134 V135 C282	L107-V112 HydrophobicContact CB-CB 4.18Å; L107-V112 HydrophobicContact CD2-CB 4.27Å; L107-V112 HydrophobicContact CD2-CG1 4.38Å; L107-V112 HydrophobicContact CD2-CG2 4.34Å; L107-V112 WeakPolarHBondContact O-CB 3.4Å; L107-V112 PolarHBondContact O-N 2.55Å; Q110-V112 HydrophobicContact CB-CG2 4.4Å; Q110-V112 PolarHBondContact O-N 2.87Å; V112-V127 HydrophobicContact CG1-CG1 4.24Å; V112-D131 HydrophobicContact CG1-CB 4.14Å; V112-V134 HydrophobicContact CG2-CB 4.17Å; V112-V134 HydrophobicContact CG2-CG1 3.72Å; V112-V135 HydrophobicContact CG1-CG2 3.87Å; V112-V135 HydrophobicContact CG2-CG2 4.43Å; V112-C282 VanDerWaalsContact C-SG 3.58Å
113	S	93.6	Very high	93.8	Very high	5 Å²	5	28 Å²	28	4%	0.035	14%	0.141	C	C	.	.			trans	-77.1	137.2	173.4	-172	0	0	0	0	109.1	F279 E281 C282	S113-F279 PolarHBondContact OG-O 3.04Å; S113-E281 PolarHBondContact OG-O 3.25Å; S113-C282 PolarHBondContact N-SG 2.92Å; S113-C282 VanDerWaalsContact N-SG 3.37Å
114	V	96.1	Very high	94	Very high	23 Å²	23	28.6 Å²	28.6	14%	0.139	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.4	-176	-60.2	0	0	0	0	109.7	L107 I125 L126 V127 V285	L107-V114 HydrophobicContact CB-CG1 4.36Å; L107-V114 HydrophobicContact CD1-CG1 3.91Å; V114-I125 HydrophobicContact CB-CG2 4.25Å; V114-I125 HydrophobicContact CG1-CG2 4.16Å; V114-L126 WeakPolarHBondContact CA-O 3.37Å; V114-V127 HydrophobicContact CG1-CG1 4.21Å; V114-V285 HydrophobicContact CG2-CB 4.26Å; V114-V285 HydrophobicContact CG2-CG2 3.84Å
115	F	97.4	Very high	94.1	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121	171.2	-175.7	-75	0	0	0	108	V12 T52 V54 W76 L126 F279 S303	V12-F115 HydrophobicContact CG1-CE2 3.89Å; V12-F115 HydrophobicContact CG1-CZ 4.11Å; T52-F115 HydrophobicContact CG2-CZ 4.4Å; V54-F115 HydrophobicContact CG2-CE1 3.82Å; V54-F115 HydrophobicContact CG2-CZ 4.03Å; W76-F115 HydrophobicContact CE3-CB 4.09Å; W76-F115 HydrophobicContact CH2-CB 4.2Å; W76-F115 HydrophobicContact CZ3-CB 3.8Å; F115-L126 HydrophobicContact CB-CB 4.02Å; F115-L126 HydrophobicContact CD1-CD2 4.13Å; F115-L126 PolarHBondContact N-O 3.13Å; F115-L126 VanDerWaalsContact O-CB 3.31Å; F115-L126 WeakPolarHBondContact O-CB 3.48Å; F115-L126 PolarHBondContact O-N 2.86Å; F115-F279 HydrophobicContact CD2-CD1 4.32Å; F115-F279 AromaticContact CD2-CE1 3.95Å; F115-F279 HydrophobicContact CD2-CE1 3.95Å; F115-F279 HydrophobicContact CE2-CE1 4.03Å; F115-S303 WeakPolarHBondContact CE1-O 3.13Å; F115-S303 WeakPolarHBondContact CZ-O 3.31Å
116	M	97.5	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.6	-174.1	-69.4	-60.1	-55.8	0	0	111.1	V96 I99 I104 I125 V285 Y301 S303	V96-M116 HydrophobicContact CB-CE 4.28Å; V96-M116 HydrophobicContact CG2-CE 3.62Å; V96-M116 HydrophobicContact CG2-SD 4.49Å; I99-M116 HydrophobicContact CD1-CE 4.21Å; I104-M116 HydrophobicContact CD1-CE 4.4Å; I104-M116 HydrophobicContact CD1-SD 3.67Å; M116-I125 HydrophobicContact CE-CG1 3.96Å; M116-I125 HydrophobicContact SD-CB 4.21Å; M116-I125 HydrophobicContact SD-CG1 3.91Å; M116-I125 HydrophobicContact SD-CG2 4.05Å; M116-V285 HydrophobicContact CG-CB 4.37Å; M116-V285 HydrophobicContact CG-CG1 3.69Å; M116-V285 HydrophobicContact CG-CG2 3.79Å; M116-V285 HydrophobicContact SD-CG1 4.36Å; M116-Y301 HydrophobicContact CB-CD1 3.56Å; M116-Y301 HydrophobicContact CB-CE1 4.33Å; M116-Y301 HydrophobicContact CB-CG 4.19Å; M116-Y301 HydrophobicContact CG-CD1 3.94Å; M116-Y301 HydrophobicContact CG-CE1 4.46Å; M116-Y301 HydrophobicContact CG-CG 4.38Å; M116-S303 PolarHBondContact N-OG 3.29Å; M116-S303 WeakPolarHBondContact O-CB 3.27Å; M116-S303 PolarHBondContact O-N 2.7Å
117	L	97.9	Very high	94.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	87.8	170.9	-177.5	67.2	0	0	0	109.6	F41 T119 F124 L126 I237 I302	F41-L117 HydrophobicContact CE1-CD2 3.8Å; F41-L117 HydrophobicContact CZ-CD2 3.82Å; L117-T119 HydrophobicContact CG-CG2 4.43Å; L117-F124 HydrophobicContact CB-CB 4.33Å; L117-F124 PolarHBondContact N-O 3.4Å; L117-F124 WeakPolarHBondContact O-CD2 3.45Å; L117-F124 PolarHBondContact O-N 3.04Å; L117-L126 HydrophobicContact CB-CD1 4.35Å; L117-I237 HydrophobicContact CD2-CD1 4.05Å; L117-I302 HydrophobicContact CD1-CG2 4.31Å
118	S	96.4	Very high	94.7	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.8	167.2	-69.8	0	0	0	0	111.5	D123 Y301	S118-D123 VanDerWaalsContact CB-OD1 3.26Å; S118-D123 WeakPolarHBondContact CB-OD1 3.49Å; S118-D123 PolarHBondContact OG-OD1 3.23Å; S118-Y301 VanDerWaalsContact CB-N 3.31Å; S118-Y301 WeakPolarHBondContact CB-O 3.4Å; S118-Y301 PolarHBondContact N-O 3.11Å; S118-Y301 PolarHBondContact OG-N 2.99Å; S118-Y301 PolarHBondContact OG-O 2.74Å
119	T	95.8	Very high	94.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	15%	0.145	C	C	.	.			trans	-122.8	174.3	173	66	0	0	0	0	109.5	L117 Q121 T122 F124 I237	L117-T119 HydrophobicContact CG-CG2 4.43Å; T119-Q121 PolarHBondContact O-N 3.04Å; T119-Q121 PolarHBondContact OG1-N 3.03Å; T119-T122 PolarHBondContact N-O 3.36Å; T119-T122 PolarHBondContact OG1-N 2.72Å; T119-T122 VanDerWaalsContact OG1-N 3.12Å; T119-T122 PolarHBondContact OG1-O 3.42Å; T119-F124 HydrophobicContact CG2-CD2 4.05Å; T119-F124 HydrophobicContact CG2-CE2 3.86Å; T119-I237 HydrophobicContact CG2-CD1 4.08Å
120	Y	93.3	Very high	95	Very high	49 Å²	49	29.5 Å²	29.5	19%	0.192	14%	0.14	C	C	.	.	S	Bend	trans	-59.3	-32.6	172.3	-178.3	-92.2	0	0	0	112.1	V189 S242 F259 S261	Y120-V189 HydrophobicContact CD2-CG1 4.18Å; Y120-S242 WeakPolarHBondContact CB-OG 3.37Å; Y120-S242 PolarHBondContact N-OG 3.04Å; Y120-F259 HydrophobicContact CE1-CD2 4.46Å; Y120-F259 HydrophobicContact CE1-CE2 4.25Å; Y120-S261 WeakPolarHBondContact CE2-OG 3.31Å; Y120-S261 WeakPolarHBondContact OH-CA 3.33Å; Y120-S261 PolarHBondContact OH-N 3.22Å; Y120-S261 VanDerWaalsContact OH-N 3.13Å; Y120-S261 PolarHBondContact OH-OG 3.07Å
121	Q	91.6	Very high	95.1	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.341	12%	0.118	S	C	.	.	S	Bend	trans	-86.2	-44.8	-174.9	-65.6	76.8	28.7	0	0	112.9	T119 S191 Y240 I241	T119-Q121 PolarHBondContact O-N 3.04Å; T119-Q121 PolarHBondContact OG1-N 3.03Å; Q121-S191 PolarHBondContact NE2-OG 2.97Å; Q121-Y240 HydrophobicContact CG-CD1 4.13Å; Q121-Y240 HydrophobicContact CG-CG 4.22Å; Q121-I241 PolarHBondContact NE2-O 2.89Å
122	T	92.6	Very high	95.3	Very high	38 Å²	38	22 Å²	22	23%	0.233	11%	0.106	C	C	.	.			trans	-161.3	171.7	-176.1	-162.8	0	0	0	0	112.3	N80 T119 F124	N80-T122 PolarHBondContact OD1-OG1 2.87Å; T119-T122 PolarHBondContact N-O 3.36Å; T119-T122 PolarHBondContact OG1-N 2.72Å; T119-T122 VanDerWaalsContact OG1-N 3.12Å; T119-T122 PolarHBondContact OG1-O 3.42Å; T122-F124 HydrophobicContact CG2-CD1 4.2Å; T122-F124 HydrophobicContact CG2-CD2 4.25Å; T122-F124 HydrophobicContact CG2-CE1 3.69Å; T122-F124 HydrophobicContact CG2-CE2 3.75Å; T122-F124 HydrophobicContact CG2-CG 4.47Å; T122-F124 HydrophobicContact CG2-CZ 3.45Å; T122-F124 VanDerWaalsContact CG2-CZ 3.45Å
123	D	94.1	Very high	95.2	Very high	25 Å²	25	23.2 Å²	23.2	13%	0.134	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.4	175.1	-54.2	-70.7	0	0	0	110.8	G95 S118	G95-D123 WeakPolarHBondContact CA-OD2 3.28Å; S118-D123 VanDerWaalsContact CB-OD1 3.26Å; S118-D123 WeakPolarHBondContact CB-OD1 3.49Å; S118-D123 PolarHBondContact OG-OD1 3.23Å
124	F	96.8	Very high	95.2	Very high	14 Å²	14	24 Å²	24	6%	0.061	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.7	173.5	-59	-75.5	0	0	0	110.6	L6 F41 P78 L117 T119 T122 L126 I237	L6-F124 HydrophobicContact CD1-CD1 3.86Å; L6-F124 HydrophobicContact CD1-CE1 3.53Å; F41-F124 HydrophobicContact CE2-CD1 4.39Å; F41-F124 HydrophobicContact CE2-CE1 4.47Å; F41-F124 HydrophobicContact CE2-CG 4.4Å; F41-F124 HydrophobicContact CZ-CD2 4.38Å; F41-F124 HydrophobicContact CZ-CG 4.43Å; P78-F124 HydrophobicContact CB-CD1 4.3Å; L117-F124 HydrophobicContact CB-CB 4.33Å; L117-F124 PolarHBondContact N-O 3.4Å; L117-F124 WeakPolarHBondContact O-CD2 3.45Å; L117-F124 PolarHBondContact O-N 3.04Å; T119-F124 HydrophobicContact CG2-CD2 4.05Å; T119-F124 HydrophobicContact CG2-CE2 3.86Å; T122-F124 HydrophobicContact CG2-CD1 4.2Å; T122-F124 HydrophobicContact CG2-CD2 4.25Å; T122-F124 HydrophobicContact CG2-CE1 3.69Å; T122-F124 HydrophobicContact CG2-CE2 3.75Å; T122-F124 HydrophobicContact CG2-CG 4.47Å; T122-F124 HydrophobicContact CG2-CZ 3.45Å; T122-F124 VanDerWaalsContact CG2-CZ 3.45Å; F124-L126 HydrophobicContact CB-CD1 3.81Å; F124-I237 HydrophobicContact CD2-CD1 4.02Å; F124-I237 HydrophobicContact CE2-CD1 3.54Å; F124-I237 HydrophobicContact CE2-CG2 4.27Å; F124-I237 HydrophobicContact CZ-CD1 4.25Å; F124-I237 HydrophobicContact CZ-CG2 3.89Å
125	I	97.4	Very high	95.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	104.2	176	-50.1	154.6	0	0	0	106.7	L79 V81 I99 V103 I104 V114 M116	L79-I125 HydrophobicContact CB-CB 4.25Å; L79-I125 WeakPolarHBondContact CB-O 3.43Å; L79-I125 WeakPolarHBondContact CG-O 3.3Å; L79-I125 PolarHBondContact N-O 3.45Å; L79-I125 PolarHBondContact O-N 3.21Å; V81-I125 HydrophobicContact CG2-CD1 4.28Å; I99-I125 HydrophobicContact CD1-CD1 3.44Å; I99-I125 VanDerWaalsContact CD1-CD1 3.44Å; I99-I125 HydrophobicContact CD1-CG1 3.74Å; V103-I125 HydrophobicContact CB-CD1 4.36Å; V103-I125 HydrophobicContact CG1-CD1 3.7Å; I104-I125 HydrophobicContact CD1-CG1 4.38Å; I104-I125 HydrophobicContact CD1-CG2 4.3Å; V114-I125 HydrophobicContact CB-CG2 4.25Å; V114-I125 HydrophobicContact CG1-CG2 4.16Å; M116-I125 HydrophobicContact CE-CG1 3.96Å; M116-I125 HydrophobicContact SD-CB 4.21Å; M116-I125 HydrophobicContact SD-CG1 3.91Å; M116-I125 HydrophobicContact SD-CG2 4.05Å
126	L	98.1	Very high	94.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	-179.6	-78	64.6	0	0	0	109	L10 V54 W76 L77 P78 V114 F115 L117 F124	L10-L126 HydrophobicContact CB-CD2 4.46Å; L10-L126 HydrophobicContact CD1-CD1 4.39Å; L10-L126 HydrophobicContact CD1-CD2 3.6Å; L10-L126 HydrophobicContact CD1-CG 3.9Å; V54-L126 HydrophobicContact CG1-CD2 3.79Å; W76-L126 HydrophobicContact CB-CB 4.17Å; W76-L126 HydrophobicContact CB-CD2 4.12Å; W76-L126 HydrophobicContact CB-CG 4.41Å; W76-L126 HydrophobicContact CD2-CB 4.48Å; W76-L126 HydrophobicContact CE3-CB 3.86Å; W76-L126 WeakPolarHBondContact CZ3-O 3.28Å; L77-L126 WeakPolarHBondContact O-CA 3.31Å; P78-L126 HydrophobicContact CB-CD1 4.13Å; P78-L126 HydrophobicContact CB-CG 4.35Å; V114-L126 WeakPolarHBondContact CA-O 3.37Å; F115-L126 HydrophobicContact CB-CB 4.02Å; F115-L126 HydrophobicContact CD1-CD2 4.13Å; F115-L126 PolarHBondContact N-O 3.13Å; F115-L126 VanDerWaalsContact O-CB 3.31Å; F115-L126 WeakPolarHBondContact O-CB 3.48Å; F115-L126 PolarHBondContact O-N 2.86Å; L117-L126 HydrophobicContact CB-CD1 4.35Å; F124-L126 HydrophobicContact CB-CD1 3.81Å
127	V	97.3	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.9	173.3	-63.5	0	0	0	0	109.7	W76 L77 L79 L107 V112 V114 V135	W76-V127 CarbonylContact C-O 3.55Å; W76-V127 VanDerWaalsContact CA-O 3.32Å; W76-V127 WeakPolarHBondContact CA-O 3.43Å; L77-V127 HydrophobicContact CB-CG2 4.38Å; L77-V127 PolarHBondContact N-O 2.85Å; L77-V127 PolarHBondContact O-N 3.19Å; L79-V127 HydrophobicContact CD1-CB 4.48Å; L79-V127 HydrophobicContact CD1-CG1 3.72Å; L79-V127 HydrophobicContact CD1-CG2 3.9Å; L79-V127 HydrophobicContact CD2-CG2 4.15Å; L79-V127 HydrophobicContact CG-CG1 4.42Å; L79-V127 HydrophobicContact CG-CG2 3.98Å; L107-V127 HydrophobicContact CD1-CG1 4.32Å; V112-V127 HydrophobicContact CG1-CG1 4.24Å; V114-V127 HydrophobicContact CG1-CG1 4.21Å; V127-V135 HydrophobicContact CB-CG2 4.08Å; V127-V135 HydrophobicContact CG1-CG2 3.92Å; V127-V135 HydrophobicContact CG2-CG2 4.14Å
128	R	96.8	Very high	94.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140	176.8	-61.4	177.7	-63.7	-153.8	-6.2	109.9	S74 I75 W76 K130 D131 L132 F279 D280	S74-R128 WeakPolarHBondContact OG-CD 3.39Å; I75-R128 CarbonylContact O-C 3.51Å; I75-R128 WeakPolarHBondContact O-CA 3.4Å; W76-R128 HydrophobicContact CD2-CG 3.96Å; W76-R128 HydrophobicContact CE3-CG 3.9Å; W76-R128 HydrophobicContact CH2-CG 3.72Å; W76-R128 HydrophobicContact CZ2-CG 3.73Å; W76-R128 HydrophobicContact CZ3-CG 3.8Å; R128-K130 HydrophobicContact CB-CG 4.04Å; R128-K130 VanDerWaalsContact NE-CE 3.27Å; R128-K130 PolarHBondContact O-N 2.99Å; R128-K130 VanDerWaalsContact O-N 3.11Å; R128-D131 IonicContact CZ-OD2 3.95Å; R128-D131 VanDerWaalsContact CZ-OD2 3.26Å; R128-D131 IonicContact NE-OD2 2.65Å; R128-D131 PolarHBondContact NE-OD2 2.86Å; R128-D131 IonicContact NH2-OD2 2.65Å; R128-D131 PolarHBondContact NH2-OD2 3.07Å; R128-D131 PolarHBondContact O-N 3.46Å; R128-L132 PolarHBondContact O-N 3.02Å; R128-F279 PolarHBondContact NH1-O 3.3Å; R128-F279 VanDerWaalsContact NH1-O 3.08Å; R128-D280 IonicContact CZ-OD1 3.51Å; R128-D280 IonicContact NH1-OD1 3.98Å; R128-D280 PolarHBondContact NH1-OD1 3.21Å
129	E	94.9	Very high	94.2	Very high	78 Å²	78	26.8 Å²	26.8	36%	0.364	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-53.8	-36.1	179.4	-178	171.4	-138.4	0	0	112	R9 I75 L77 D131 L132	R9-E129 IonicContact CZ-OE1 2.77Å; R9-E129 IonicContact CZ-OE2 3.71Å; R9-E129 IonicContact NE-OE1 2.84Å; R9-E129 PolarHBondContact NE-OE1 3.13Å; R9-E129 IonicContact NE-OE2 3.72Å; R9-E129 IonicContact NH2-OE1 3.74Å; R9-E129 PolarHBondContact NH2-OE1 2.75Å; R9-E129 IonicContact NH2-OE2 3.97Å; R9-E129 PolarHBondContact NH2-OE2 3.42Å; I75-E129 HydrophobicContact CB-CB 4.36Å; I75-E129 HydrophobicContact CG2-CB 4.48Å; I75-E129 PolarHBondContact O-N 3.29Å; L77-E129 HydrophobicContact CD1-CB 4.16Å; L77-E129 HydrophobicContact CD1-CG 4.16Å; L77-E129 HydrophobicContact CG-CB 4.14Å; E129-D131 VanDerWaalsContact C-N 3.28Å; E129-D131 PolarHBondContact O-N 3.42Å; E129-L132 VanDerWaalsContact O-CB 3.29Å; E129-L132 WeakPolarHBondContact O-CB 3.5Å; E129-L132 PolarHBondContact O-N 3.06Å
130	K	93.3	Very high	93.9	Very high	123 Å²	123	29.7 Å²	29.7	54%	0.535	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-65.5	-26	176.4	72.2	-173.7	-179.6	-164.8	0	114.5	R128	R128-K130 HydrophobicContact CB-CG 4.04Å; R128-K130 VanDerWaalsContact NE-CE 3.27Å; R128-K130 PolarHBondContact O-N 2.99Å; R128-K130 VanDerWaalsContact O-N 3.11Å
131	D	94.3	Very high	93.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-93.6	-0.9	-177.3	-64.6	-39.9	0	0	0	111.4	V112 R128 E129 S133 V134 V135 N168	V112-D131 HydrophobicContact CG1-CB 4.14Å; R128-D131 IonicContact CZ-OD2 3.95Å; R128-D131 VanDerWaalsContact CZ-OD2 3.26Å; R128-D131 IonicContact NE-OD2 2.65Å; R128-D131 PolarHBondContact NE-OD2 2.86Å; R128-D131 IonicContact NH2-OD2 2.65Å; R128-D131 PolarHBondContact NH2-OD2 3.07Å; R128-D131 PolarHBondContact O-N 3.46Å; E129-D131 VanDerWaalsContact C-N 3.28Å; E129-D131 PolarHBondContact O-N 3.42Å; D131-S133 VanDerWaalsContact C-N 3.32Å; D131-S133 PolarHBondContact O-N 3.23Å; D131-V134 WeakPolarHBondContact O-CB 3.32Å; D131-V134 PolarHBondContact O-N 2.73Å; D131-V134 VanDerWaalsContact O-N 3.1Å; D131-V135 WeakPolarHBondContact O-CG2 3.5Å; D131-V135 PolarHBondContact O-N 2.79Å; D131-N168 PolarHBondContact OD1-ND2 3.18Å
132	L	93.5	Very high	93.2	Very high	18 Å²	18	38.3 Å²	38.3	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-37.4	-174	-177.1	64.4	0	0	0	113.5	I5 L77 R128 E129 V134 V135 I136 F161	I5-L132 HydrophobicContact CD1-CD1 3.98Å; I5-L132 HydrophobicContact CG1-CD1 4.44Å; L77-L132 HydrophobicContact CD1-CB 4.39Å; L77-L132 HydrophobicContact CD1-CD1 4.16Å; L77-L132 HydrophobicContact CD1-CD2 3.75Å; L77-L132 HydrophobicContact CD1-CG 4.31Å; R128-L132 PolarHBondContact O-N 3.02Å; E129-L132 VanDerWaalsContact O-CB 3.29Å; E129-L132 WeakPolarHBondContact O-CB 3.5Å; E129-L132 PolarHBondContact O-N 3.06Å; L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 3.22Å; L132-V135 WeakPolarHBondContact O-CB 3.4Å; L132-V135 PolarHBondContact O-N 3.06Å; L132-I136 HydrophobicContact CD1-CD1 4.18Å; L132-I136 HydrophobicContact CD1-CG1 4.31Å; L132-I136 HydrophobicContact CD2-CD1 4.39Å; L132-I136 HydrophobicContact CG-CD1 3.85Å; L132-I136 HydrophobicContact CG-CG1 4.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.23Å; L132-I136 PolarHBondContact O-N 2.86Å; L132-F161 HydrophobicContact CD2-CE1 4.44Å
133	S	91.5	Very high	93	Very high	25 Å²	25	36.8 Å²	36.8	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-41.5	177.5	54.9	0	0	0	0	111.9	D131 S137	D131-S133 VanDerWaalsContact C-N 3.32Å; D131-S133 PolarHBondContact O-N 3.23Å; S133-S137 WeakPolarHBondContact O-CB 3.3Å; S133-S137 PolarHBondContact O-N 2.77Å; S133-S137 PolarHBondContact O-OG 3.08Å
134	V	92.8	Very high	92.9	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-46.6	176	-177.9	0	0	0	0	109.5	Q110 V112 D131 L132 I136 S137 T138	Q110-V134 HydrophobicContact CB-CG1 3.93Å; V112-V134 HydrophobicContact CG2-CB 4.17Å; V112-V134 HydrophobicContact CG2-CG1 3.72Å; D131-V134 WeakPolarHBondContact O-CB 3.32Å; D131-V134 PolarHBondContact O-N 2.73Å; D131-V134 VanDerWaalsContact O-N 3.1Å; L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 3.22Å; V134-I136 PolarHBondContact O-N 3.14Å; V134-S137 WeakPolarHBondContact CA-OG 3.18Å; V134-S137 PolarHBondContact O-N 3.23Å; V134-S137 PolarHBondContact O-OG 2.93Å; V134-T138 VanDerWaalsContact O-CB 3.32Å; V134-T138 WeakPolarHBondContact O-CB 3.28Å; V134-T138 PolarHBondContact O-N 2.75Å; V134-T138 PolarHBondContact O-OG1 3.38Å
135	V	93.9	Very high	92.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-54.5	-51.6	176.9	171.8	0	0	0	0	111.3	L79 L107 V112 V127 D131 L132 S137 T138 L139	L79-V135 HydrophobicContact CD1-CG1 3.73Å; L107-V135 HydrophobicContact CD2-CB 4.24Å; L107-V135 HydrophobicContact CD2-CG1 4.25Å; L107-V135 HydrophobicContact CD2-CG2 3.86Å; V112-V135 HydrophobicContact CG1-CG2 3.87Å; V112-V135 HydrophobicContact CG2-CG2 4.43Å; V127-V135 HydrophobicContact CB-CG2 4.08Å; V127-V135 HydrophobicContact CG1-CG2 3.92Å; V127-V135 HydrophobicContact CG2-CG2 4.14Å; D131-V135 WeakPolarHBondContact O-CG2 3.5Å; D131-V135 PolarHBondContact O-N 2.79Å; L132-V135 WeakPolarHBondContact O-CB 3.4Å; L132-V135 PolarHBondContact O-N 3.06Å; V135-S137 PolarHBondContact O-N 2.8Å; V135-T138 PolarHBondContact O-N 2.77Å; V135-L139 HydrophobicContact CG1-CD1 3.93Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.69Å
136	I	92.8	Very high	92.5	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-50	179.2	-68.8	164.5	0	0	0	110	I5 L132 V134 T138 L139 N140 I145 V156 F161	I5-I136 HydrophobicContact CD1-CD1 4.43Å; I5-I136 HydrophobicContact CD1-CG1 4.42Å; L132-I136 HydrophobicContact CD1-CD1 4.18Å; L132-I136 HydrophobicContact CD1-CG1 4.31Å; L132-I136 HydrophobicContact CD2-CD1 4.39Å; L132-I136 HydrophobicContact CG-CD1 3.85Å; L132-I136 HydrophobicContact CG-CG1 4.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.23Å; L132-I136 PolarHBondContact O-N 2.86Å; V134-I136 PolarHBondContact O-N 3.14Å; I136-T138 PolarHBondContact O-N 3.07Å; I136-L139 PolarHBondContact O-N 2.77Å; I136-N140 WeakPolarHBondContact O-CB 3.37Å; I136-N140 PolarHBondContact O-N 3.07Å; I136-I145 HydrophobicContact CB-CD1 4.27Å; I136-I145 HydrophobicContact CG1-CD1 4.36Å; I136-I145 HydrophobicContact CG2-CD1 4.07Å; I136-V156 HydrophobicContact CD1-CG1 3.97Å; I136-V156 HydrophobicContact CG2-CG1 4.42Å; I136-F161 HydrophobicContact CD1-CD1 4.43Å; I136-F161 HydrophobicContact CD1-CD2 3.65Å; I136-F161 HydrophobicContact CD1-CE1 4.26Å; I136-F161 HydrophobicContact CD1-CE2 3.47Å; I136-F161 VanDerWaalsContact CD1-CE2 3.47Å; I136-F161 HydrophobicContact CD1-CG 4.15Å; I136-F161 HydrophobicContact CD1-CZ 3.79Å
137	S	91.8	Very high	92.3	Very high	56 Å²	56	46.9 Å²	46.9	39%	0.392	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-32.3	-179.8	69.6	0	0	0	0	113.3	S133 V134 V135	S133-S137 WeakPolarHBondContact O-CB 3.3Å; S133-S137 PolarHBondContact O-N 2.77Å; S133-S137 PolarHBondContact O-OG 3.08Å; V134-S137 WeakPolarHBondContact CA-OG 3.18Å; V134-S137 PolarHBondContact O-N 3.23Å; V134-S137 PolarHBondContact O-OG 2.93Å; V135-S137 PolarHBondContact O-N 2.8Å
138	T	92.5	Very high	92.1	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	24%	0.24	C	C	.	.	H	α-helix	trans	-76.9	-41.1	-177.8	-55.2	0	0	0	0	111.7	P106 L107 Q110 V134 V135 I136	P106-T138 HydrophobicContact CB-CG2 3.69Å; L107-T138 HydrophobicContact CD2-CG2 4.48Å; Q110-T138 HydrophobicContact CG-CG2 3.8Å; Q110-T138 WeakPolarHBondContact CG-OG1 3.07Å; V134-T138 VanDerWaalsContact O-CB 3.32Å; V134-T138 WeakPolarHBondContact O-CB 3.28Å; V134-T138 PolarHBondContact O-N 2.75Å; V134-T138 PolarHBondContact O-OG1 3.38Å; V135-T138 PolarHBondContact O-N 2.77Å; I136-T138 PolarHBondContact O-N 3.07Å
139	L	92.4	Very high	91.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-97.6	-12.7	-171.1	-58.8	178.5	0	0	0	113.6	L3 V103 P106 L107 V135 I136 E141 E142 F143 I145	L3-L139 HydrophobicContact CD2-CB 4.19Å; L3-L139 HydrophobicContact CD2-CD1 3.59Å; V103-L139 HydrophobicContact CG1-CD1 3.91Å; V103-L139 HydrophobicContact CG1-CD2 4.39Å; P106-L139 HydrophobicContact CB-CD2 4.32Å; L107-L139 HydrophobicContact CD1-CD1 4.43Å; L107-L139 HydrophobicContact CD2-CD1 4.2Å; L107-L139 HydrophobicContact CD2-CG 4.3Å; L107-L139 HydrophobicContact CG-CD1 4.41Å; V135-L139 HydrophobicContact CG1-CD1 3.93Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.69Å; I136-L139 PolarHBondContact O-N 2.77Å; L139-E141 PolarHBondContact O-N 3.5Å; L139-E142 PolarHBondContact O-N 2.98Å; L139-E142 VanDerWaalsContact O-N 3.15Å; L139-F143 HydrophobicContact CB-CD2 4.24Å; L139-F143 PolarHBondContact O-N 3.34Å; L139-I145 HydrophobicContact CB-CD1 4.38Å
140	N	89.6	Confident	91.2	Very high	63 Å²	63	56.6 Å²	56.6	34%	0.337	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.5	-178	-179.8	69.6	0	0	0	114.1	I136 I145	I136-N140 WeakPolarHBondContact O-CB 3.37Å; I136-N140 PolarHBondContact O-N 3.07Å; N140-I145 HydrophobicContact CB-CD1 4.05Å
141	E	84.3	Confident	90.6	Very high	181 Å²	181	52.8 Å²	52.8	85%	0.846	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-32.4	173.4	-65.4	-170.5	172.4	0	0	112.3	L139	L139-E141 PolarHBondContact O-N 3.5Å
142	E	86.1	Confident	90.3	Very high	121 Å²	121	59.5 Å²	59.5	57%	0.565	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-23.4	-175.4	-67	-168.8	-175.7	0	0	114	S102 L139	S102-E142 WeakPolarHBondContact CB-OE2 3.13Å; L139-E142 PolarHBondContact O-N 2.98Å; L139-E142 VanDerWaalsContact O-N 3.15Å
143	F	89.8	Confident	90.2	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.026	32%	0.323	C	S	.	.			trans	-124.5	142	-172.6	-64.7	-94	0	0	0	112.6	M1 L3 V81 S102 V103 L139 I145	M1-F143 HydrophobicContact CB-CD1 3.61Å; M1-F143 HydrophobicContact CB-CE1 3.46Å; M1-F143 VanDerWaalsContact CB-CE1 3.46Å; M1-F143 HydrophobicContact CG-CE1 4.43Å; M1-F143 WeakPolarHBondContact O-CA 3.19Å; M1-F143 HydrophobicContact SD-CE1 4.25Å; L3-F143 HydrophobicContact CB-CB 3.87Å; L3-F143 HydrophobicContact CB-CD1 4.16Å; L3-F143 HydrophobicContact CB-CG 4.17Å; V81-F143 HydrophobicContact CG1-CE1 3.81Å; S102-F143 WeakPolarHBondContact O-CE2 3.23Å; V103-F143 HydrophobicContact CG2-CE1 4.42Å; V103-F143 HydrophobicContact CG2-CE2 3.86Å; V103-F143 HydrophobicContact CG2-CZ 3.63Å; L139-F143 HydrophobicContact CB-CD2 4.24Å; L139-F143 PolarHBondContact O-N 3.34Å; F143-I145 HydrophobicContact CB-CG1 4.48Å; F143-I145 PolarHBondContact O-N 2.89Å
144	N	91.4	Very high	90.2	Very high	99 Å²	99	65.5 Å²	65.5	53%	0.529	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.8	160.4	-56.2	-56.4	0	0	0	107.7	M1 D2 L3 F146	M1-N144 PolarHBondContact O-N 2.98Å; D2-N144 WeakPolarHBondContact CA-O 3.35Å; D2-N144 PolarHBondContact OD1-ND2 2.79Å; D2-N144 VanDerWaalsContact OD1-ND2 3.13Å; L3-N144 PolarHBondContact N-O 2.89Å; N144-F146 HydrophobicContact CB-CD2 4.46Å; N144-F146 HydrophobicContact CB-CE2 3.65Å; N144-F146 HydrophobicContact CB-CZ 4.18Å; N144-F146 WeakPolarHBondContact O-CD2 3.18Å
145	I	92.9	Very high	90.1	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.6	-175.8	-54.2	-179.5	0	0	0	109.5	L3 I5 I136 L139 N140 F143 V156	L3-I145 HydrophobicContact CB-CG1 4.31Å; L3-I145 HydrophobicContact CD2-CD1 4.26Å; L3-I145 HydrophobicContact CD2-CG1 4.15Å; L3-I145 HydrophobicContact CD2-CG2 4.47Å; L3-I145 CarbonylContact O-C 3.59Å; L3-I145 WeakPolarHBondContact O-CA 3.47Å; I5-I145 HydrophobicContact CD1-CG2 3.7Å; I5-I145 HydrophobicContact CG1-CG2 4.21Å; I136-I145 HydrophobicContact CB-CD1 4.27Å; I136-I145 HydrophobicContact CG1-CD1 4.36Å; I136-I145 HydrophobicContact CG2-CD1 4.07Å; L139-I145 HydrophobicContact CB-CD1 4.38Å; N140-I145 HydrophobicContact CB-CD1 4.05Å; F143-I145 HydrophobicContact CB-CG1 4.48Å; F143-I145 PolarHBondContact O-N 2.89Å; I145-V156 HydrophobicContact CB-CB 4.36Å; I145-V156 HydrophobicContact CG2-CB 4.13Å; I145-V156 HydrophobicContact CG2-CG2 4.04Å; I145-V156 PolarHBondContact O-N 3.08Å
146	F	93.6	Very high	89.7	Confident	51 Å²	51	69.8 Å²	69.8	22%	0.224	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.6	174.3	-61.4	-88.5	0	0	0	109.8	D2 L3 Q4 I5 N144 Y153 V154 P155	D2-F146 HydrophobicContact CB-CD2 4.09Å; D2-F146 HydrophobicContact CB-CE2 3.96Å; L3-F146 PolarHBondContact O-N 2.8Å; Q4-F146 CarbonylContact C-O 3.55Å; Q4-F146 WeakPolarHBondContact CA-O 3.42Å; I5-F146 PolarHBondContact N-O 2.83Å; N144-F146 HydrophobicContact CB-CD2 4.46Å; N144-F146 HydrophobicContact CB-CE2 3.65Å; N144-F146 HydrophobicContact CB-CZ 4.18Å; N144-F146 WeakPolarHBondContact O-CD2 3.18Å; F146-Y153 HydrophobicContact CB-CD1 4.08Å; F146-V154 CarbonylContact C-O 3.56Å; F146-V154 WeakPolarHBondContact CA-O 3.12Å; F146-P155 HydrophobicContact CD1-CB 4.17Å; F146-P155 HydrophobicContact CE1-CB 4.06Å
147	K	93.3	Very high	88.7	Confident	95 Å²	95	71.1 Å²	71.1	41%	0.413	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.1	171.3	-177.2	178.9	178.2	-176.9	0	108.8	I5 V149 V154 V156	I5-K147 HydrophobicContact CB-CB 4.42Å; I5-K147 HydrophobicContact CB-CG 4.35Å; I5-K147 HydrophobicContact CG2-CG 4.48Å; I5-K147 WeakPolarHBondContact O-CA 3.49Å; K147-V149 HydrophobicContact CD-CG2 4.39Å; K147-V149 HydrophobicContact CG-CG2 4.23Å; K147-V154 PolarHBondContact N-O 3.32Å; K147-V154 PolarHBondContact O-N 3.47Å; K147-V156 HydrophobicContact CB-CG2 3.69Å
148	E	92.2	Very high	87	Confident	33 Å²	33	72 Å²	72	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.2	170.7	-170	-178.7	-173.6	0	0	109.3	I5 D7 E152 Y153	I5-E148 PolarHBondContact O-N 3.17Å; D7-E148 HydrophobicContact CB-CB 4.14Å; D7-E148 HydrophobicContact CB-CG 4.11Å; D7-E148 WeakPolarHBondContact CB-O 3.32Å; D7-E148 PolarHBondContact N-OE2 3.17Å; E148-E152 CarbonylContact C-O 3.56Å; E148-E152 WeakPolarHBondContact CA-O 3.16Å; E148-Y153 HydrophobicContact CB-CD1 4.2Å; E148-Y153 HydrophobicContact CB-CE1 3.9Å; E148-Y153 HydrophobicContact CG-CE1 4.36Å
149	V	88.9	Confident	85.1	Confident	65 Å²	65	78.8 Å²	78.8	39%	0.394	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	115.1	175	-178.4	0	0	0	0	107	K147 G151 E152	K147-V149 HydrophobicContact CD-CG2 4.39Å; K147-V149 HydrophobicContact CG-CG2 4.23Å; V149-G151 PolarHBondContact O-N 3.5Å; V149-G151 VanDerWaalsContact O-N 3.12Å; V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.88Å
150	E	83.5	Confident	83.3	Confident	186 Å²	186	84.5 Å²	84.5	87%	0.869	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	29.1	-178.6	-57.8	-173.2	161.3	0	0	114	D7	D7-E150 PolarHBondContact OD2-N 3.34Å
151	G	82.4	Confident	81.6	Confident	43 Å²	43	84.9 Å²	84.9	44%	0.443	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-0.2	-179.6	0	0	0	0	0	115.3	V149	V149-G151 PolarHBondContact O-N 3.5Å; V149-G151 VanDerWaalsContact O-N 3.12Å
152	E	88.1	Confident	79.9	Confident	143 Å²	143	80.4 Å²	80.4	67%	0.668	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.1	175.5	-68.3	-67.7	158.4	0	0	111.1	E148 V149	E148-E152 CarbonylContact C-O 3.56Å; E148-E152 WeakPolarHBondContact CA-O 3.16Å; V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.88Å
153	Y	89.8	Confident	77.8	Confident	94 Å²	94	82.6 Å²	82.6	37%	0.369	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.4	-179.8	-71.7	-80.7	0	0	0	111.2	Q4 L6 F146 E148	Q4-Y153 HydrophobicContact CB-CD1 4.43Å; Q4-Y153 HydrophobicContact CB-CE1 3.85Å; Q4-Y153 HydrophobicContact CG-CD1 3.99Å; Q4-Y153 HydrophobicContact CG-CE1 3.63Å; L6-Y153 HydrophobicContact CD2-CE1 4.49Å; F146-Y153 HydrophobicContact CB-CD1 4.08Å; E148-Y153 HydrophobicContact CB-CD1 4.2Å; E148-Y153 HydrophobicContact CB-CE1 3.9Å; E148-Y153 HydrophobicContact CG-CE1 4.36Å
154	V	91.7	Very high	75.6	Confident	74 Å²	74	84.1 Å²	84.1	45%	0.448	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.6	179.6	-174.9	0	0	0	0	109.6	F146 K147	F146-V154 CarbonylContact C-O 3.56Å; F146-V154 WeakPolarHBondContact CA-O 3.12Å; K147-V154 PolarHBondContact N-O 3.32Å; K147-V154 PolarHBondContact O-N 3.47Å
155	P	90.3	Very high	73.4	Confident	90 Å²	90	85.1 Å²	85.1	58%	0.584	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	137.4	177.5	27.2	-34.5	0	0	0	110.9	F146	F146-P155 HydrophobicContact CD1-CB 4.17Å; F146-P155 HydrophobicContact CE1-CB 4.06Å
156	V	85.9	Confident	71.2	Confident	22 Å²	22	91.9 Å²	91.9	13%	0.133	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-91.3	120.7	179.2	-177.7	0	0	0	0	109.6	I5 I136 I145 K147 F161	I5-V156 HydrophobicContact CD1-CG2 4.31Å; I136-V156 HydrophobicContact CD1-CG1 3.97Å; I136-V156 HydrophobicContact CG2-CG1 4.42Å; I145-V156 HydrophobicContact CB-CB 4.36Å; I145-V156 HydrophobicContact CG2-CB 4.13Å; I145-V156 HydrophobicContact CG2-CG2 4.04Å; I145-V156 PolarHBondContact O-N 3.08Å; K147-V156 HydrophobicContact CB-CG2 3.69Å; V156-F161 HydrophobicContact CG1-CD2 4.34Å; V156-F161 HydrophobicContact CG1-CE2 3.74Å
157	G	71.9	Confident	69	Low	34 Å²	34	98.3 Å²	98.3	35%	0.351	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-82.5	140.2	178.3	0	0	0	0	0	112.5	Q159 D160	G157-Q159 PolarHBondContact O-N 2.97Å; G157-Q159 VanDerWaalsContact O-N 3.11Å; G157-D160 PolarHBondContact O-N 3.33Å
158	C	56.3	Low	66.8	Low	74 Å²	74	96.4 Å²	96.4	50%	0.5	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.2	179	-162.6	0	0	0	0	113.5
159	Q	52.9	Low	64.4	Low	171 Å²	171	98.7 Å²	98.7	80%	0.799	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-79.1	-15	-178.8	-66.4	-173	13.5	0	0	114.5	G157 F161 T162	G157-Q159 PolarHBondContact O-N 2.97Å; G157-Q159 VanDerWaalsContact O-N 3.11Å; Q159-F161 VanDerWaalsContact C-N 3.27Å; Q159-F161 PolarHBondContact O-N 3.38Å; Q159-T162 PolarHBondContact O-OG1 3.25Å
160	D	54.2	Low	62.6	Low	123 Å²	123	99.9 Å²	99.9	66%	0.658	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-75	-16.1	-174.9	-66.7	-36.1	0	0	0	113	G157	G157-D160 PolarHBondContact O-N 3.33Å
161	F	53.9	Low	60.7	Low	72 Å²	72	99.6 Å²	99.6	32%	0.316	56%	0.556	S	S	.	*	S	Bend	trans	-125.3	3.1	-170.6	-62.2	-83.9	0	0	0	115.1	L132 I136 V156 Q159 N163 G164	L132-F161 HydrophobicContact CD2-CE1 4.44Å; I136-F161 HydrophobicContact CD1-CD1 4.43Å; I136-F161 HydrophobicContact CD1-CD2 3.65Å; I136-F161 HydrophobicContact CD1-CE1 4.26Å; I136-F161 HydrophobicContact CD1-CE2 3.47Å; I136-F161 VanDerWaalsContact CD1-CE2 3.47Å; I136-F161 HydrophobicContact CD1-CG 4.15Å; I136-F161 HydrophobicContact CD1-CZ 3.79Å; V156-F161 HydrophobicContact CG1-CD2 4.34Å; V156-F161 HydrophobicContact CG1-CE2 3.74Å; Q159-F161 VanDerWaalsContact C-N 3.27Å; Q159-F161 PolarHBondContact O-N 3.38Å; F161-N163 PolarHBondContact O-N 2.71Å; F161-N163 VanDerWaalsContact O-N 3.14Å; F161-G164 PolarHBondContact O-N 2.93Å
162	T	48.4	Very low	59.1	Low	86 Å²	86	102 Å²	102	53%	0.528	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-65.1	-16.8	-178.5	47.7	0	0	0	0	114.4	Q159 G164	Q159-T162 PolarHBondContact O-OG1 3.25Å; T162-G164 VanDerWaalsContact C-N 3.31Å; T162-G164 PolarHBondContact O-N 2.88Å
163	N	41.8	Very low	57.5	Low	168 Å²	168	100 Å²	100	90%	0.898	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-82.8	-0.4	-177	-75.8	-17.2	0	0	0	114.8	F161	F161-N163 PolarHBondContact O-N 2.71Å; F161-N163 VanDerWaalsContact O-N 3.14Å
164	G	43.3	Very low	55.8	Low	38 Å²	38	102.9 Å²	102.9	39%	0.392	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-127.9	20.7	-172	0	0	0	0	0	115.5	F161 T162 L166	F161-G164 PolarHBondContact O-N 2.93Å; T162-G164 VanDerWaalsContact C-N 3.31Å; T162-G164 PolarHBondContact O-N 2.88Å; G164-L166 PolarHBondContact O-N 3.07Å
165	L	46.9	Very low	54.4	Low	120 Å²	120	104.2 Å²	104.2	63%	0.628	59%	0.585	S	S	*	*			trans	-73.6	57.2	-179.1	-131.6	119.4	0	0	0	111.8	K167	L165-K167 PolarHBondContact O-N 3.27Å; L165-K167 VanDerWaalsContact O-N 3.16Å
166	L	46.3	Very low	53.8	Low	147 Å²	147	103.6 Å²	103.6	77%	0.77	58%	0.58	S	S	*	*			trans	-70.8	102	158.9	-70.7	166.7	0	0	0	105.1	G164 N168	G164-L166 PolarHBondContact O-N 3.07Å; L166-N168 PolarHBondContact O-N 2.83Å
167	K	47.3	Very low	53.8	Low	186 Å²	186	106 Å²	106	81%	0.809	59%	0.594	S	S	*	*			trans	-44.8	121.9	161.1	-73.7	-175.6	173.3	-173.5	0	106.2	L165 G169	L165-K167 PolarHBondContact O-N 3.27Å; L165-K167 VanDerWaalsContact O-N 3.16Å; K167-G169 VanDerWaalsContact C-N 3.27Å; K167-G169 PolarHBondContact O-N 2.86Å
168	N	46.9	Very low	54.6	Low	55 Å²	55	105.4 Å²	105.4	29%	0.294	58%	0.583	S	S	.	*			trans	-53.8	99	177.3	-96.5	-18.6	0	0	0	106.8	D131 L166 K170	D131-N168 PolarHBondContact OD1-ND2 3.18Å; L166-N168 PolarHBondContact O-N 2.83Å; N168-K170 PolarHBondContact O-N 2.8Å
169	G	42.3	Very low	56.3	Low	82 Å²	82	104.8 Å²	104.8	85%	0.845	58%	0.578	S	S	*	*			trans	-73.6	25.1	-178.3	0	0	0	0	0	112	K167 E171	K167-G169 VanDerWaalsContact C-N 3.27Å; K167-G169 PolarHBondContact O-N 2.86Å; G169-E171 PolarHBondContact O-N 2.78Å
170	K	50.3	Low	58.2	Low	90 Å²	90	98.1 Å²	98.1	39%	0.391	55%	0.548	S	S	.	.			trans	-69.4	128.9	173.8	-78.8	-176.6	164.8	-174.1	0	107.1	N168 V172 D280	N168-K170 PolarHBondContact O-N 2.8Å; K170-V172 PolarHBondContact O-N 2.8Å; K170-D280 IonicContact NZ-OD1 3.84Å; K170-D280 PolarHBondContact NZ-OD1 3.11Å
171	E	43.2	Very low	60	Low	180 Å²	180	95.1 Å²	95.1	84%	0.841	53%	0.532	S	S	*	.			trans	-47.7	132.6	167.5	-69.2	-176.5	154.7	0	0	108.3	G169 V173	G169-E171 PolarHBondContact O-N 2.78Å; E171-V173 VanDerWaalsContact C-N 3.26Å; E171-V173 PolarHBondContact O-N 3.45Å
172	V	48.8	Very low	61.9	Low	94 Å²	94	93.8 Å²	93.8	57%	0.57	53%	0.528	S	S	*	.			trans	-61.8	94.4	176.9	179.9	0	0	0	0	106.7	K170 Q174	K170-V172 PolarHBondContact O-N 2.8Å; V172-Q174 PolarHBondContact O-N 2.95Å
173	V	54.3	Low	64	Low	99 Å²	99	89.7 Å²	89.7	60%	0.6	50%	0.503	S	S	*	.			trans	-62.7	111.8	164.4	-179.1	0	0	0	0	104.2	E171	E171-V173 VanDerWaalsContact C-N 3.26Å; E171-V173 PolarHBondContact O-N 3.45Å
174	Q	54.7	Low	66.5	Low	156 Å²	156	86.6 Å²	86.6	73%	0.729	48%	0.483	S	S	*	.			trans	-56.9	133.3	179.7	-78.3	-172.7	-23.3	0	0	108.6	V172 T176	V172-Q174 PolarHBondContact O-N 2.95Å; Q174-T176 PolarHBondContact O-N 3.24Å; Q174-T176 PolarHBondContact O-OG1 2.96Å
175	P	62.5	Low	68.9	Low	101 Å²	101	85.2 Å²	85.2	66%	0.656	47%	0.467	S	S	*	.			trans	-55	114.1	177.2	-21.6	30.8	0	0	0	108.8
176	T	78.4	Confident	71.2	Confident	78 Å²	78	82.4 Å²	82.4	48%	0.479	45%	0.45	S	S	.	.			trans	-90.4	128.1	178.7	-57.8	0	0	0	0	107.6	Q174 H178 E281 Q287	Q174-T176 PolarHBondContact O-N 3.24Å; Q174-T176 PolarHBondContact O-OG1 2.96Å; T176-H178 PolarHBondContact O-CD2 2.5Å; T176-H178 PolarHBondContact O-N 2.77Å; T176-H178 PolarHBondContact O-NE2 2.65Å; T176-E281 PolarHBondContact N-OE1 2.79Å; T176-Q287 PolarHBondContact O-OE1 3.13Å
177	V	85.1	Confident	73.5	Confident	71 Å²	71	75.4 Å²	75.4	43%	0.43	41%	0.414	S	S	.	.			trans	-69.1	104.9	173.1	171	0	0	0	0	108.2	R328	V177-R328 HydrophobicContact CG1-CB 4.21Å; V177-R328 HydrophobicContact CG1-CG 3.91Å
178	H	89.4	Confident	75.7	Confident	23 Å²	23	66.9 Å²	66.9	11%	0.106	38%	0.377	C	S	.	.			trans	-73	140.6	-178.7	-71.8	-75.4	0	0	0	111.8	T176 I272 L277 E281	T176-H178 PolarHBondContact O-CD2 2.5Å; T176-H178 PolarHBondContact O-N 2.77Å; T176-H178 PolarHBondContact O-NE2 2.65Å; H178-I272 HydrophobicContact CB-CG2 3.78Å; H178-L277 WeakPolarHBondContact CE1-CD2 3.41Å; H178-L277 VanDerWaalsContact ND1-CD2 3.31Å; H178-L277 WeakPolarHBondContact ND1-CD2 3.42Å; H178-E281 IonicContact CD2-OE1 3.23Å; H178-E281 IonicContact CE1-OE1 3.04Å; H178-E281 IonicContact CE1-OE2 3.8Å; H178-E281 PolarHBondContact CE1-OE2 3.23Å; H178-E281 VanDerWaalsContact CE1-OE2 3.23Å; H178-E281 IonicContact NE2-OE1 2.65Å; H178-E281 PolarHBondContact NE2-OE1 2.79Å; H178-E281 IonicContact NE2-OE2 2.74Å; H178-E281 PolarHBondContact NE2-OE2 3.39Å
179	P	91.4	Very high	78	Confident	60 Å²	60	64.4 Å²	64.4	39%	0.39	36%	0.364	S	S	.	.			trans	-67.5	146.3	172.7	31	-34.7	0	0	0	109.8	G273 G274	P179-G273 PolarHBondContact O-N 3.19Å; P179-G274 VanDerWaalsContact CG-CA 3.5Å; P179-G274 VanDerWaalsContact CG-N 3.31Å
180	V	92.4	Very high	80.5	Confident	31 Å²	31	60.9 Å²	60.9	19%	0.188	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.9	178.1	-61.7	0	0	0	0	110.7	V270 R271 I272 I288	V180-V270 HydrophobicContact CB-CG1 3.85Å; V180-V270 HydrophobicContact CG1-CG1 3.99Å; V180-R271 CarbonylContact C-O 3.57Å; V180-R271 VanDerWaalsContact CA-O 3.27Å; V180-R271 WeakPolarHBondContact CA-O 3.48Å; V180-I272 HydrophobicContact CG1-CG1 4.1Å; V180-I288 HydrophobicContact CG1-CD1 4.44Å
181	L	92.1	Very high	82.6	Confident	61 Å²	61	57 Å²	57	32%	0.319	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.9	174.4	176.5	84	0	0	0	108.8	P183 L226 R271	L181-P183 WeakPolarHBondContact O-CD 3.26Å; L181-L226 HydrophobicContact CD1-CD1 3.85Å; L181-L226 HydrophobicContact CD2-CD1 3.38Å; L181-L226 HydrophobicContact CG-CD1 4.21Å; L181-R271 HydrophobicContact CB-CB 4.35Å; L181-R271 PolarHBondContact N-O 3.15Å; L181-R271 PolarHBondContact O-N 2.85Å
182	I	93.8	Very high	85	Confident	43 Å²	43	48.5 Å²	48.5	22%	0.221	27%	0.27	C	S	.	.			trans	-117.1	93.5	-178.6	-57.1	179.8	0	0	0	108.9	V270 I317 T321	I182-V270 HydrophobicContact CD1-CG2 4.31Å; I182-V270 HydrophobicContact CG1-CG1 4.33Å; I182-V270 HydrophobicContact CG1-CG2 4.21Å; I182-I317 HydrophobicContact CD1-CD1 4.39Å; I182-I317 HydrophobicContact CG2-CD1 3.79Å; I182-I317 HydrophobicContact CG2-CG1 4.02Å; I182-T321 HydrophobicContact CD1-CG2 3.93Å; I182-T321 WeakPolarHBondContact CD1-OG1 3.37Å
183	P	93.7	Very high	87.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.			trans	-67.6	159.4	175.2	30.3	-37.7	0	0	0	111.7	L181 N185 I229 R268 M269	L181-P183 WeakPolarHBondContact O-CD 3.26Å; P183-N185 VanDerWaalsContact C-N 3.32Å; P183-I229 HydrophobicContact CB-CB 4.04Å; P183-I229 HydrophobicContact CB-CG2 3.77Å; P183-I229 HydrophobicContact CG-CB 4.28Å; P183-I229 HydrophobicContact CG-CG2 3.59Å; P183-R268 PolarHBondContact O-NE 2.9Å; P183-R268 PolarHBondContact O-NH2 2.82Å; P183-M269 WeakPolarHBondContact CD-O 3.18Å; P183-M269 HydrophobicContact CG-CB 3.99Å; P183-M269 HydrophobicContact CG-CG 4.34Å; P183-M269 HydrophobicContact CG-SD 4.31Å
184	Q	92.6	Very high	88.9	Confident	103 Å²	103	44.9 Å²	44.9	48%	0.481	25%	0.246	S	C	.	.	S	Bend	trans	-83.3	-5	-179.2	-45.8	-176.9	-12.3	0	0	114	Q186 E227	Q184-Q186 PolarHBondContact O-N 3.2Å; Q184-E227 WeakPolarHBondContact CB-O 3.46Å; Q184-E227 PolarHBondContact N-O 2.98Å
185	N	93.9	Very high	90.7	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.053	25%	0.248	C	C	.	.			trans	-52.8	140.8	176	-57.8	72	0	0	0	111.1	P183 F187 C228 I229 D246 R268	P183-N185 VanDerWaalsContact C-N 3.32Å; N185-F187 HydrophobicContact CB-CD2 4.02Å; N185-F187 HydrophobicContact CB-CE1 4.35Å; N185-F187 HydrophobicContact CB-CE2 3.37Å; N185-F187 HydrophobicContact CB-CZ 3.56Å; N185-C228 WeakPolarHBondContact OD1-CA 3.38Å; N185-C228 WeakPolarHBondContact OD1-CB 3.41Å; N185-I229 PolarHBondContact ND2-O 3.28Å; N185-I229 PolarHBondContact OD1-N 3.25Å; N185-D246 HydrophobicContact CB-CB 4.48Å; N185-R268 VanDerWaalsContact O-CD 3.27Å; N185-R268 WeakPolarHBondContact O-CD 3.39Å; N185-R268 PolarHBondContact O-NE 2.92Å
186	Q	95.1	Very high	92.2	Very high	61 Å²	61	40.9 Å²	40.9	29%	0.285	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.1	162.1	-65.8	168	-36.1	0	0	107.7	Q184 D246 T247 L266 E314	Q184-Q186 PolarHBondContact O-N 3.2Å; Q186-D246 CarbonylContact O-C 3.56Å; Q186-D246 VanDerWaalsContact O-CA 3.26Å; Q186-D246 WeakPolarHBondContact O-CA 3.24Å; Q186-T247 HydrophobicContact CB-CG2 3.79Å; Q186-T247 PolarHBondContact O-N 2.9Å; Q186-L266 HydrophobicContact CB-CB 4.4Å; Q186-L266 HydrophobicContact CB-CD1 4.14Å; Q186-L266 HydrophobicContact CG-CD1 4.24Å; Q186-E314 VanDerWaalsContact NE2-CD 3.31Å; Q186-E314 PolarHBondContact NE2-OE1 3.1Å; Q186-E314 PolarHBondContact NE2-OE2 3.41Å; Q186-E314 VanDerWaalsContact NE2-OE2 3.12Å
187	F	95.7	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.4	-179.8	-68	-82.3	0	0	0	111.2	N185 I229 F231 V244 M245 D246 W267 M269 L311	N185-F187 HydrophobicContact CB-CD2 4.02Å; N185-F187 HydrophobicContact CB-CE1 4.35Å; N185-F187 HydrophobicContact CB-CE2 3.37Å; N185-F187 HydrophobicContact CB-CZ 3.56Å; F187-I229 HydrophobicContact CZ-CG2 4.06Å; F187-F231 HydrophobicContact CD1-CD1 4.49Å; F187-F231 HydrophobicContact CE1-CB 3.82Å; F187-F231 HydrophobicContact CE1-CD1 4.04Å; F187-F231 HydrophobicContact CE1-CG 4.35Å; F187-F231 HydrophobicContact CZ-CB 3.93Å; F187-V244 HydrophobicContact CD1-CG1 4.4Å; F187-M245 WeakPolarHBondContact CA-O 3.14Å; F187-D246 HydrophobicContact CD1-CB 4.15Å; F187-D246 HydrophobicContact CE1-CB 4.01Å; F187-W267 HydrophobicContact CB-CB 4.27Å; F187-W267 PolarHBondContact N-O 2.86Å; F187-W267 PolarHBondContact O-N 3.24Å; F187-M269 HydrophobicContact CD2-CB 3.98Å; F187-M269 HydrophobicContact CD2-CE 4.29Å; F187-M269 HydrophobicContact CE1-CE 4.21Å; F187-M269 HydrophobicContact CE2-CB 3.58Å; F187-M269 HydrophobicContact CE2-CE 3.69Å; F187-M269 HydrophobicContact CE2-CG 4.47Å; F187-M269 HydrophobicContact CE2-SD 4.16Å; F187-M269 HydrophobicContact CZ-CE 3.66Å; F187-M269 HydrophobicContact CZ-SD 4.28Å; F187-L311 HydrophobicContact CB-CD2 4.18Å; F187-L311 HydrophobicContact CD2-CD2 3.89Å; F187-L311 HydrophobicContact CG-CD2 4.11Å
188	C	94	Very high	93.5	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.8	171.1	-57.1	0	0	0	0	108.5	M190 V244 M245 Q250 L266	C188-M190 HydrophobicContact CB-CE 3.34Å; C188-M190 HydrophobicContact CB-CG 4.04Å; C188-M190 HydrophobicContact CB-SD 4.18Å; C188-V244 WeakPolarHBondContact O-CA 3.18Å; C188-M245 PolarHBondContact N-O 2.63Å; C188-M245 PolarHBondContact O-N 3.15Å; C188-Q250 PolarHBondContact SG-OE1 2.88Å; C188-L266 WeakPolarHBondContact SG-CD2 3.29Å
189	V	94.4	Very high	93.8	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.7	170.1	-173.9	0	0	0	0	107.5	Y120 V244 T260 W267 Y300 L311	Y120-V189 HydrophobicContact CD2-CG1 4.18Å; V189-V244 HydrophobicContact CG1-CG2 4.2Å; V189-V244 HydrophobicContact CG2-CG2 4.15Å; V189-T260 PolarHBondContact O-OG1 3.03Å; V189-W267 HydrophobicContact CG2-CG 4.38Å; V189-Y300 HydrophobicContact CB-CE2 4.09Å; V189-Y300 HydrophobicContact CG1-CE2 4.21Å; V189-Y300 HydrophobicContact CG2-CD2 3.75Å; V189-Y300 HydrophobicContact CG2-CE2 3.77Å; V189-L311 HydrophobicContact CG2-CD1 4.16Å
190	M	94.1	Very high	94	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.5	-169	-61.6	-175.2	169.4	0	0	111.5	C188 S242 I243 Q250 L258 F259	C188-M190 HydrophobicContact CB-CE 3.34Å; C188-M190 HydrophobicContact CB-CG 4.04Å; C188-M190 HydrophobicContact CB-SD 4.18Å; M190-S242 WeakPolarHBondContact O-CA 3.21Å; M190-I243 PolarHBondContact N-O 2.82Å; M190-I243 PolarHBondContact O-N 3.28Å; M190-Q250 HydrophobicContact CE-CG 3.55Å; M190-Q250 HydrophobicContact SD-CG 4.09Å; M190-L258 HydrophobicContact SD-CB 3.83Å; M190-L258 HydrophobicContact SD-CD1 3.85Å; M190-L258 HydrophobicContact SD-CG 4.35Å; M190-F259 WeakPolarHBondContact CA-O 3.43Å
191	S	94.7	Very high	94.2	Very high	8 Å²	8	37.8 Å²	37.8	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.6	170.7	170.8	0	0	0	0	109.8	Q121 I241 F259	Q121-S191 PolarHBondContact NE2-OG 2.97Å; S191-I241 WeakPolarHBondContact CA-O 3.4Å; S191-I241 WeakPolarHBondContact CB-O 3.45Å; S191-I241 PolarHBondContact OG-O 3.47Å; S191-I241 VanDerWaalsContact OG-O 3.07Å; S191-F259 PolarHBondContact N-O 2.84Å; S191-F259 WeakPolarHBondContact O-CD1 3.31Å; S191-F259 PolarHBondContact O-N 2.86Å; S191-F259 WeakPolarHBondContact OG-CE2 3.38Å; S191-F259 WeakPolarHBondContact OG-CZ 3.25Å
192	L	94.2	Very high	94.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.3	-176	-176.9	76.6	0	0	0	108.9	P194 T196 L197 I200 I241 L257 L258	L192-P194 WeakPolarHBondContact O-CD 3.39Å; L192-T196 VanDerWaalsContact CD1-OG1 3.29Å; L192-T196 WeakPolarHBondContact CD1-OG1 3.46Å; L192-T196 WeakPolarHBondContact CG-OG1 3.36Å; L192-L197 HydrophobicContact CD2-CB 4.02Å; L192-L197 HydrophobicContact CD2-CD1 3.79Å; L192-I200 HydrophobicContact CD1-CD1 4.35Å; L192-I200 HydrophobicContact CD2-CD1 3.34Å; L192-I200 HydrophobicContact CD2-CG1 3.89Å; L192-I200 HydrophobicContact CG-CD1 4.44Å; L192-I241 HydrophobicContact CB-CB 4.27Å; L192-I241 HydrophobicContact CB-CD1 4.42Å; L192-I241 HydrophobicContact CB-CG2 3.99Å; L192-I241 HydrophobicContact CD2-CD1 4.14Å; L192-L257 HydrophobicContact CD1-CB 3.95Å; L192-L257 WeakPolarHBondContact CD1-O 3.19Å; L192-L258 HydrophobicContact CB-CD2 4.38Å; L192-L258 HydrophobicContact CD1-CD2 3.99Å
193	D	92.7	Very high	94.5	Very high	75 Å²	75	39.5 Å²	39.5	40%	0.401	23%	0.23	S	C	.	.			trans	-66.2	122	169	-178.8	-14.1	0	0	0	108.9	D195 T196 L197	D193-D195 PolarHBondContact O-N 2.91Å; D193-D195 VanDerWaalsContact O-N 3.08Å; D193-D195 PolarHBondContact OD1-N 2.83Å; D193-T196 HydrophobicContact CB-CG2 3.99Å; D193-T196 WeakPolarHBondContact O-CA 3.26Å; D193-T196 PolarHBondContact O-N 3.39Å; D193-T196 PolarHBondContact O-OG1 2.9Å; D193-L197 PolarHBondContact O-N 3.16Å
194	P	91.6	Very high	94.7	Very high	41 Å²	41	39.5 Å²	39.5	27%	0.266	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-46.4	-36.6	175.9	-33.6	40.8	0	0	0	115.5	L192 T196 L197 G239 I241	L192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-T196 PolarHBondContact O-N 2.95Å; P194-L197 VanDerWaalsContact O-CB 3.3Å; P194-L197 WeakPolarHBondContact O-CB 3.33Å; P194-L197 PolarHBondContact O-N 3.49Å; P194-G239 WeakPolarHBondContact CG-O 3.45Å; P194-I241 HydrophobicContact CB-CD1 4.43Å; P194-I241 HydrophobicContact CG-CD1 4.35Å; P194-I241 HydrophobicContact CG-CG1 4.49Å
195	D	92.4	Very high	94.9	Very high	143 Å²	143	36.6 Å²	36.6	77%	0.765	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-71	-20.7	-178.3	-70.9	-18.2	0	0	0	112.1	D193 P198	D193-D195 PolarHBondContact O-N 2.91Å; D193-D195 VanDerWaalsContact O-N 3.08Å; D193-D195 PolarHBondContact OD1-N 2.83Å; D195-P198 WeakPolarHBondContact O-CD 3.22Å
196	T	94.3	Very high	94.9	Very high	31 Å²	31	39.5 Å²	39.5	19%	0.19	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-94.3	-7.1	177.3	70.1	0	0	0	0	113.7	L192 D193 P194 P198 S199 L257	L192-T196 VanDerWaalsContact CD1-OG1 3.29Å; L192-T196 WeakPolarHBondContact CD1-OG1 3.46Å; L192-T196 WeakPolarHBondContact CG-OG1 3.36Å; D193-T196 HydrophobicContact CB-CG2 3.99Å; D193-T196 WeakPolarHBondContact O-CA 3.26Å; D193-T196 PolarHBondContact O-N 3.39Å; D193-T196 PolarHBondContact O-OG1 2.9Å; P194-T196 PolarHBondContact O-N 2.95Å; T196-P198 VanDerWaalsContact C-N 3.32Å; T196-S199 VanDerWaalsContact O-CB 3.23Å; T196-S199 WeakPolarHBondContact O-CB 3.35Å; T196-S199 PolarHBondContact O-N 2.78Å; T196-S199 PolarHBondContact O-OG 2.83Å; T196-L257 HydrophobicContact CG2-CD2 4.31Å
197	L	95.2	Very high	94.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-52.1	-40.3	176.9	-178.7	62.5	0	0	0	114	I31 F32 L192 D193 P194 S199 I200 A201 L204 F234 I241	I31-L197 WeakPolarHBondContact O-CD2 3.32Å; F32-L197 HydrophobicContact CD1-CD1 4.47Å; F32-L197 HydrophobicContact CD1-CD2 4.22Å; F32-L197 HydrophobicContact CD1-CG 4.02Å; F32-L197 HydrophobicContact CE1-CD1 4.06Å; F32-L197 HydrophobicContact CE1-CG 4.09Å; L192-L197 HydrophobicContact CD2-CB 4.02Å; L192-L197 HydrophobicContact CD2-CD1 3.79Å; D193-L197 PolarHBondContact O-N 3.16Å; P194-L197 VanDerWaalsContact O-CB 3.3Å; P194-L197 WeakPolarHBondContact O-CB 3.33Å; P194-L197 PolarHBondContact O-N 3.49Å; L197-S199 PolarHBondContact O-N 2.63Å; L197-I200 HydrophobicContact CD1-CD1 4.13Å; L197-I200 HydrophobicContact CD1-CG1 4.09Å; L197-I200 WeakPolarHBondContact O-CG1 3.44Å; L197-I200 PolarHBondContact O-N 3.42Å; L197-A201 PolarHBondContact O-N 3.23Å; L197-L204 HydrophobicContact CD1-CD2 3.95Å; L197-F234 HydrophobicContact CD1-CE2 4.1Å; L197-F234 HydrophobicContact CD1-CZ 4.29Å; L197-F234 HydrophobicContact CD2-CZ 4.41Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CD1-CD1 4.2Å; L197-I241 HydrophobicContact CD2-CD1 3.95Å; L197-I241 HydrophobicContact CG-CD1 4.28Å
198	P	95.4	Very high	94.8	Very high	93 Å²	93	36.7 Å²	36.7	60%	0.604	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-58.6	-31.7	175.2	-25.7	36.6	0	0	0	113.7	D195 T196 I200 A201	D195-P198 WeakPolarHBondContact O-CD 3.22Å; T196-P198 VanDerWaalsContact C-N 3.32Å; P198-I200 VanDerWaalsContact C-N 3.29Å; P198-I200 PolarHBondContact O-N 3.45Å; P198-A201 VanDerWaalsContact O-CB 3.3Å; P198-A201 WeakPolarHBondContact O-CB 3.42Å; P198-A201 PolarHBondContact O-N 3.42Å
199	S	95.7	Very high	94.8	Very high	80 Å²	80	37.4 Å²	37.4	56%	0.559	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.6	-26.7	-178.1	-55.7	0	0	0	0	113	T196 L197	T196-S199 VanDerWaalsContact O-CB 3.23Å; T196-S199 WeakPolarHBondContact O-CB 3.35Å; T196-S199 PolarHBondContact O-N 2.78Å; T196-S199 PolarHBondContact O-OG 2.83Å; L197-S199 PolarHBondContact O-N 2.63Å
200	I	95.8	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-101.3	1.8	176.6	68.8	163.7	0	0	0	113.1	L192 L197 P198 T202 T203 L204 I243 F253 P254 L257	L192-I200 HydrophobicContact CD1-CD1 4.35Å; L192-I200 HydrophobicContact CD2-CD1 3.34Å; L192-I200 HydrophobicContact CD2-CG1 3.89Å; L192-I200 HydrophobicContact CG-CD1 4.44Å; L197-I200 HydrophobicContact CD1-CD1 4.13Å; L197-I200 HydrophobicContact CD1-CG1 4.09Å; L197-I200 WeakPolarHBondContact O-CG1 3.44Å; L197-I200 PolarHBondContact O-N 3.42Å; P198-I200 VanDerWaalsContact C-N 3.29Å; P198-I200 PolarHBondContact O-N 3.45Å; I200-T202 PolarHBondContact O-N 3.48Å; I200-T203 PolarHBondContact O-N 2.88Å; I200-T203 VanDerWaalsContact O-N 3.15Å; I200-L204 WeakPolarHBondContact O-CB 3.4Å; I200-L204 PolarHBondContact O-N 3.04Å; I200-I243 HydrophobicContact CD1-CD1 4.29Å; I200-F253 HydrophobicContact CB-CD1 4Å; I200-F253 HydrophobicContact CB-CE1 4.24Å; I200-F253 HydrophobicContact CD1-CD1 4.08Å; I200-F253 HydrophobicContact CD1-CE1 3.94Å; I200-F253 HydrophobicContact CG2-CD1 4.24Å; I200-P254 HydrophobicContact CG2-CG 4.35Å; I200-L257 HydrophobicContact CG2-CB 4.46Å; I200-L257 HydrophobicContact CG2-CD1 3.68Å
201	A	96.4	Very high	94.3	Very high	18 Å²	18	45 Å²	45	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-45.3	-167	0	0	0	0	0	113	F32 L197 P198 T203 L204 I205	F32-A201 HydrophobicContact CD1-CB 3.84Å; F32-A201 HydrophobicContact CE1-CB 3.4Å; F32-A201 HydrophobicContact CZ-CB 3.87Å; L197-A201 PolarHBondContact O-N 3.23Å; P198-A201 VanDerWaalsContact O-CB 3.3Å; P198-A201 WeakPolarHBondContact O-CB 3.42Å; P198-A201 PolarHBondContact O-N 3.42Å; A201-T203 PolarHBondContact O-N 3.08Å; A201-L204 PolarHBondContact O-N 3.01Å; A201-I205 VanDerWaalsContact O-CB 3.28Å; A201-I205 WeakPolarHBondContact O-CB 3.31Å; A201-I205 WeakPolarHBondContact O-CD1 3.49Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 2.81Å
202	T	96.6	Very high	92.9	Very high	111 Å²	111	51.4 Å²	51.4	68%	0.681	29%	0.288	S	S	*	.	H	α-helix	trans	-63.4	-42	179.6	50.8	0	0	0	0	112.1	I200 I205 D206	I200-T202 PolarHBondContact O-N 3.48Å; T202-I205 PolarHBondContact O-N 2.83Å; T202-D206 WeakPolarHBondContact O-CB 3.46Å; T202-D206 PolarHBondContact O-N 2.79Å
203	T	96.6	Very high	91.2	Very high	30 Å²	30	53 Å²	53	18%	0.184	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-45.6	177	-56.1	0	0	0	0	110.9	I200 A201 I205 D206 V207 R252 F253	I200-T203 PolarHBondContact O-N 2.88Å; I200-T203 VanDerWaalsContact O-N 3.15Å; A201-T203 PolarHBondContact O-N 3.08Å; T203-I205 VanDerWaalsContact C-N 3.31Å; T203-I205 PolarHBondContact O-N 2.84Å; T203-D206 PolarHBondContact O-N 3.27Å; T203-V207 HydrophobicContact CG2-CG2 4.36Å; T203-V207 WeakPolarHBondContact O-CB 3.44Å; T203-V207 VanDerWaalsContact O-CG2 3.25Å; T203-V207 WeakPolarHBondContact O-CG2 3.47Å; T203-V207 PolarHBondContact O-N 3.49Å; T203-R252 HydrophobicContact CG2-CB 3.94Å; T203-R252 VanDerWaalsContact CG2-O 3.3Å; T203-R252 WeakPolarHBondContact CG2-O 3.22Å; T203-F253 HydrophobicContact CG2-CD1 3.89Å; T203-F253 HydrophobicContact CG2-CD2 4.05Å; T203-F253 HydrophobicContact CG2-CE1 3.85Å; T203-F253 HydrophobicContact CG2-CE2 4.03Å; T203-F253 HydrophobicContact CG2-CG 3.98Å; T203-F253 HydrophobicContact CG2-CZ 3.93Å
204	L	96.6	Very high	89.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-42	178.2	-178	57.9	0	0	0	111.2	I31 F32 L197 I200 A201 V207 L208 F232 F234 F253	I31-L204 HydrophobicContact CG2-CD2 4Å; F32-L204 HydrophobicContact CE1-CD2 4.01Å; F32-L204 HydrophobicContact CZ-CB 4.19Å; F32-L204 HydrophobicContact CZ-CD2 3.79Å; F32-L204 HydrophobicContact CZ-CG 4.14Å; L197-L204 HydrophobicContact CD1-CD2 3.95Å; I200-L204 WeakPolarHBondContact O-CB 3.4Å; I200-L204 PolarHBondContact O-N 3.04Å; A201-L204 PolarHBondContact O-N 3.01Å; L204-V207 PolarHBondContact O-N 2.83Å; L204-L208 HydrophobicContact CD1-CD1 3.65Å; L204-L208 HydrophobicContact CD1-CG 4.02Å; L204-L208 HydrophobicContact CG-CD1 3.82Å; L204-L208 VanDerWaalsContact O-CB 3.3Å; L204-L208 WeakPolarHBondContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.26Å; L204-L208 PolarHBondContact O-N 2.81Å; L204-F232 HydrophobicContact CD1-CE1 3.65Å; L204-F232 HydrophobicContact CD1-CZ 3.46Å; L204-F232 VanDerWaalsContact CD1-CZ 3.46Å; L204-F234 HydrophobicContact CD1-CD2 4.3Å; L204-F234 HydrophobicContact CD2-CD2 3.88Å; L204-F234 HydrophobicContact CD2-CE2 3.73Å; L204-F234 HydrophobicContact CD2-CZ 4.42Å; L204-F253 HydrophobicContact CB-CE1 4.1Å; L204-F253 HydrophobicContact CB-CZ 4.41Å; L204-F253 HydrophobicContact CD1-CE1 4.47Å; L204-F253 HydrophobicContact CD1-CZ 4.23Å
205	I	96.7	Very high	87.2	Confident	42 Å²	42	60 Å²	60	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-47	175.5	-72.9	169.2	0	0	0	110.8	I28 F32 A201 T202 T203 V207 L208 F209 Y210	I28-I205 HydrophobicContact CD1-CD1 3.67Å; I28-I205 HydrophobicContact CD1-CG1 3.55Å; F32-I205 HydrophobicContact CD2-CD1 4.41Å; F32-I205 HydrophobicContact CE2-CD1 3.76Å; F32-I205 HydrophobicContact CE2-CG1 3.5Å; F32-I205 HydrophobicContact CZ-CD1 4.18Å; F32-I205 HydrophobicContact CZ-CG1 3.82Å; A201-I205 VanDerWaalsContact O-CB 3.28Å; A201-I205 WeakPolarHBondContact O-CB 3.31Å; A201-I205 WeakPolarHBondContact O-CD1 3.49Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 2.81Å; T202-I205 PolarHBondContact O-N 2.83Å; T203-I205 VanDerWaalsContact C-N 3.31Å; T203-I205 PolarHBondContact O-N 2.84Å; I205-V207 VanDerWaalsContact C-N 3.33Å; I205-V207 PolarHBondContact O-N 3.2Å; I205-L208 PolarHBondContact O-N 2.96Å; I205-F209 HydrophobicContact CB-CD2 4.27Å; I205-F209 HydrophobicContact CG1-CD2 4.44Å; I205-F209 HydrophobicContact CG1-CE2 4.45Å; I205-F209 HydrophobicContact CG2-CD2 4.01Å; I205-F209 WeakPolarHBondContact O-CB 3.41Å; I205-F209 WeakPolarHBondContact O-CD2 3.41Å; I205-F209 PolarHBondContact O-N 2.89Å; I205-Y210 HydrophobicContact CG2-CD2 3.97Å; I205-Y210 HydrophobicContact CG2-CE2 3.55Å
206	D	95.8	Very high	84.8	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	34%	0.339	S	S	.	.	I	π-helix	trans	-61.9	-42	179.2	-171	29.9	0	0	0	111.5	T202 T203 Y210 S211 R252	T202-D206 WeakPolarHBondContact O-CB 3.46Å; T202-D206 PolarHBondContact O-N 2.79Å; T203-D206 PolarHBondContact O-N 3.27Å; D206-Y210 CarbonylContact O-C 3.54Å; D206-Y210 PolarHBondContact O-N 3.5Å; D206-S211 WeakPolarHBondContact O-CB 3.35Å; D206-S211 PolarHBondContact O-N 3.29Å; D206-S211 PolarHBondContact O-OG 2.95Å; D206-R252 IonicContact OD1-NH2 3.76Å; D206-R252 IonicContact OD2-CZ 3.79Å; D206-R252 IonicContact OD2-NH2 2.6Å; D206-R252 PolarHBondContact OD2-NH2 2.93Å
207	V	94.3	Very high	82	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.006	37%	0.367	C	S	.	.	I	π-helix	trans	-65.9	-44.7	177.4	172.5	0	0	0	0	112.5	T203 L204 I205 S211 K230 F232 F253	T203-V207 HydrophobicContact CG2-CG2 4.36Å; T203-V207 WeakPolarHBondContact O-CB 3.44Å; T203-V207 VanDerWaalsContact O-CG2 3.25Å; T203-V207 WeakPolarHBondContact O-CG2 3.47Å; T203-V207 PolarHBondContact O-N 3.49Å; L204-V207 PolarHBondContact O-N 2.83Å; I205-V207 VanDerWaalsContact C-N 3.33Å; I205-V207 PolarHBondContact O-N 3.2Å; V207-S211 WeakPolarHBondContact CA-OG 3.47Å; V207-K230 PolarHBondContact O-NZ 2.82Å; V207-F232 HydrophobicContact CG1-CD2 3.52Å; V207-F232 HydrophobicContact CG1-CE2 3.53Å; V207-F232 HydrophobicContact CG1-CG 4.13Å; V207-F232 HydrophobicContact CG1-CZ 4.14Å; V207-F253 HydrophobicContact CB-CZ 4.49Å; V207-F253 HydrophobicContact CG2-CE2 3.94Å; V207-F253 HydrophobicContact CG2-CZ 4.12Å
208	L	93.3	Very high	79.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.393	C	S	.	.	I	π-helix	trans	-80.6	-34.4	-175.2	-78.2	172.9	0	0	0	114.4	I31 L44 Y51 L204 I205 F232	I31-L208 HydrophobicContact CD1-CD1 3.89Å; L44-L208 HydrophobicContact CD2-CD1 4.14Å; L44-L208 HydrophobicContact CD2-CD2 4.02Å; Y51-L208 VanDerWaalsContact CE1-O 3.29Å; Y51-L208 WeakPolarHBondContact CE1-O 3.48Å; Y51-L208 PolarHBondContact OH-O 2.76Å; L204-L208 HydrophobicContact CD1-CD1 3.65Å; L204-L208 HydrophobicContact CD1-CG 4.02Å; L204-L208 HydrophobicContact CG-CD1 3.82Å; L204-L208 VanDerWaalsContact O-CB 3.3Å; L204-L208 WeakPolarHBondContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.26Å; L204-L208 PolarHBondContact O-N 2.81Å; I205-L208 PolarHBondContact O-N 2.96Å; L208-F232 HydrophobicContact CD1-CE1 4.38Å; L208-F232 HydrophobicContact CD2-CD1 3.36Å; L208-F232 HydrophobicContact CD2-CE1 3.61Å; L208-F232 HydrophobicContact CD2-CG 4.33Å; L208-F232 HydrophobicContact CG-CD1 4.11Å; L208-F232 HydrophobicContact CG-CE1 3.9Å
209	F	93.3	Very high	76.4	Confident	21 Å²	21	79.1 Å²	79.1	9%	0.092	41%	0.412	C	S	.	.	I	π-helix	trans	-117	-21.8	-167.1	-57.8	-74.2	0	0	0	114.5	L20 L27 I28 I31 I205	L20-F209 HydrophobicContact CD1-CD1 3.93Å; L20-F209 HydrophobicContact CD1-CE1 4.07Å; L20-F209 HydrophobicContact CD2-CB 4.41Å; L20-F209 HydrophobicContact CD2-CD1 3.86Å; L20-F209 HydrophobicContact CG-CD1 3.97Å; L27-F209 HydrophobicContact CB-CE1 3.97Å; L27-F209 HydrophobicContact CB-CZ 3.87Å; L27-F209 HydrophobicContact CD1-CE1 3.8Å; L27-F209 HydrophobicContact CD1-CZ 4.45Å; I28-F209 HydrophobicContact CD1-CD2 4.26Å; I28-F209 HydrophobicContact CD1-CE2 3.67Å; I28-F209 HydrophobicContact CD1-CZ 4.24Å; I28-F209 HydrophobicContact CG1-CE2 4.44Å; I31-F209 HydrophobicContact CD1-CE2 4.26Å; I31-F209 HydrophobicContact CD1-CZ 3.97Å; I205-F209 HydrophobicContact CB-CD2 4.27Å; I205-F209 HydrophobicContact CG1-CD2 4.44Å; I205-F209 HydrophobicContact CG1-CE2 4.45Å; I205-F209 HydrophobicContact CG2-CD2 4.01Å; I205-F209 WeakPolarHBondContact O-CB 3.41Å; I205-F209 WeakPolarHBondContact O-CD2 3.41Å; I205-F209 PolarHBondContact O-N 2.89Å
210	Y	91.8	Very high	73.7	Confident	148 Å²	148	79.7 Å²	79.7	58%	0.58	42%	0.416	S	S	*	.	I	π-helix	trans	-123.6	-20.1	-170.6	-62.1	-81.7	0	0	0	114	I205 D206 N212	I205-Y210 HydrophobicContact CG2-CD2 3.97Å; I205-Y210 HydrophobicContact CG2-CE2 3.55Å; D206-Y210 CarbonylContact O-C 3.54Å; D206-Y210 PolarHBondContact O-N 3.5Å; Y210-N212 PolarHBondContact O-N 3Å; Y210-N212 VanDerWaalsContact O-N 3.11Å
211	S	86.1	Confident	70.8	Confident	23 Å²	23	84.5 Å²	84.5	16%	0.161	45%	0.449	C	S	.	.	S	Bend	trans	-74.6	104.4	177.3	-61.2	0	0	0	0	109.4	D206 V207 S213 R252	D206-S211 WeakPolarHBondContact O-CB 3.35Å; D206-S211 PolarHBondContact O-N 3.29Å; D206-S211 PolarHBondContact O-OG 2.95Å; V207-S211 WeakPolarHBondContact CA-OG 3.47Å; S211-S213 PolarHBondContact O-N 3.06Å; S211-R252 PolarHBondContact OG-NH1 3.26Å; S211-R252 PolarHBondContact OG-NH2 3.17Å; S211-R252 VanDerWaalsContact OG-NH2 3.08Å
212	N	66.6	Low	68	Low	143 Å²	143	90.2 Å²	90.2	77%	0.765	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-56	137.6	179.2	-73.5	-36.3	0	0	0	111	Y210	Y210-N212 PolarHBondContact O-N 3Å; Y210-N212 VanDerWaalsContact O-N 3.11Å
213	S	59.2	Low	65.6	Low	35 Å²	35	88.4 Å²	88.4	25%	0.245	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-59	139.7	160.4	-41.5	0	0	0	0	107.9	S211 K215	S211-S213 PolarHBondContact O-N 3.06Å; S213-K215 PolarHBondContact O-N 2.89Å
214	P	53.8	Low	62.8	Low	97 Å²	97	95.4 Å²	95.4	63%	0.63	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-51.3	121.9	171.5	20.1	-29.3	0	0	0	107.2	K216	P214-K216 PolarHBondContact O-N 2.92Å
215	K	45.1	Very low	60.3	Low	168 Å²	168	101.4 Å²	101.4	73%	0.73	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-55.4	136.9	179.7	-72.4	179.3	178	176.4	0	106.8	S213 E217	S213-K215 PolarHBondContact O-N 2.89Å; K215-E217 HydrophobicContact CB-CG 4.34Å; K215-E217 PolarHBondContact O-N 3.34Å
216	K	43.4	Very low	58.4	Low	212 Å²	212	104 Å²	104	92%	0.922	56%	0.563	S	S	*	*			trans	-61.1	81.1	162	-76.9	-174.4	176	-177.5	0	107.4	P214 S218	P214-K216 PolarHBondContact O-N 2.92Å; K216-S218 PolarHBondContact O-N 3.4Å
217	E	33.6	Very low	57.4	Low	165 Å²	165	107.6 Å²	107.6	77%	0.771	58%	0.577	S	S	*	*			trans	-72.2	116.7	166.4	-74.6	-171.6	170.2	0	0	106.5	K215	K215-E217 HydrophobicContact CB-CG 4.34Å; K215-E217 PolarHBondContact O-N 3.34Å
218	S	35.3	Very low	57	Low	84 Å²	84	110.9 Å²	110.9	59%	0.587	60%	0.599	S	S	*	*			trans	69.9	110.2	166.3	26	0	0	0	0	118.1	K216 S220	K216-S218 PolarHBondContact O-N 3.4Å; S218-S220 WeakPolarHBondContact CB-OG 3.25Å; S218-S220 PolarHBondContact O-N 2.95Å
219	E	38.7	Very low	56.9	Low	212 Å²	212	111.3 Å²	111.3	99%	0.991	60%	0.602	S	S	*	*	S	Bend	trans	-63	53.2	149.7	-66.1	179.7	149.8	0	0	111.5
220	S	39.6	Very low	56.9	Low	93 Å²	93	111.6 Å²	111.6	65%	0.65	60%	0.603	S	S	*	*			trans	-154.6	62.7	176.7	68.5	0	0	0	0	112.3	S218	S218-S220 WeakPolarHBondContact CB-OG 3.25Å; S218-S220 PolarHBondContact O-N 2.95Å
221	S	33.3	Very low	57.1	Low	100 Å²	100	104.6 Å²	104.6	70%	0.699	58%	0.575	S	S	*	*			trans	-153.7	113	145.9	45.7	0	0	0	0	109.2	G223	S221-G223 PolarHBondContact O-N 3.23Å
222	T	37.7	Very low	57.7	Low	138 Å²	138	103.6 Å²	103.6	85%	0.847	57%	0.568	S	S	*	*			trans	-43.1	134	157.5	42.2	0	0	0	0	110
223	G	46.6	Very low	59.2	Low	73 Å²	73	96.9 Å²	96.9	75%	0.753	53%	0.532	S	S	*	.	S	Bend	trans	-35.8	130.3	-164.1	0	0	0	0	0	117.4	S221	S221-G223 PolarHBondContact O-N 3.23Å
224	Q	39.1	Very low	61.1	Low	178 Å²	178	95.2 Å²	95.2	83%	0.832	52%	0.521	S	S	*	.			trans	-172.7	123	155.9	-103.2	158.3	13.4	0	0	107.3
225	D	44.1	Very low	63.2	Low	125 Å²	125	90.7 Å²	90.7	67%	0.668	49%	0.492	S	S	*	.			trans	43	101	164.6	-56.7	-19.8	0	0	0	118.5	E227	D225-E227 PolarHBondContact O-N 2.91Å
226	L	56.7	Low	65.7	Low	98 Å²	98	83.4 Å²	83.4	51%	0.513	46%	0.46	S	S	.	.			trans	-65.1	99.7	155.6	-86.6	160.3	0	0	0	107.7	L181 C228	L181-L226 HydrophobicContact CD1-CD1 3.85Å; L181-L226 HydrophobicContact CD2-CD1 3.38Å; L181-L226 HydrophobicContact CG-CD1 4.21Å; L226-C228 VanDerWaalsContact C-N 3.27Å; L226-C228 PolarHBondContact O-N 3.39Å
227	E	74.6	Confident	68.2	Low	146 Å²	146	73.7 Å²	73.7	68%	0.682	42%	0.419	S	S	*	.	S	Bend	trans	-51.8	-47.3	179.1	-79.7	-173.6	157.1	0	0	110.7	Q184 D225	Q184-E227 WeakPolarHBondContact CB-O 3.46Å; Q184-E227 PolarHBondContact N-O 2.98Å; D225-E227 PolarHBondContact O-N 2.91Å
228	C	84.7	Confident	71	Confident	69 Å²	69	69.2 Å²	69.2	47%	0.466	40%	0.4	S	S	.	.			trans	-147.3	148.5	174.3	-78.1	0	0	0	0	112.4	N185 L226	N185-C228 WeakPolarHBondContact OD1-CA 3.38Å; N185-C228 WeakPolarHBondContact OD1-CB 3.41Å; L226-C228 VanDerWaalsContact C-N 3.27Å; L226-C228 PolarHBondContact O-N 3.39Å
229	I	91.9	Very high	73.8	Confident	10 Å²	10	66.4 Å²	66.4	5%	0.051	38%	0.384	C	S	.	.			trans	-105.5	145.1	170.8	-166.8	171	0	0	0	110.1	P48 P183 N185 F187 F231 M269 R271	P48-I229 HydrophobicContact CG-CD1 3.88Å; P48-I229 HydrophobicContact CG-CG1 3.47Å; P48-I229 VanDerWaalsContact CG-CG1 3.47Å; P183-I229 HydrophobicContact CB-CB 4.04Å; P183-I229 HydrophobicContact CB-CG2 3.77Å; P183-I229 HydrophobicContact CG-CB 4.28Å; P183-I229 HydrophobicContact CG-CG2 3.59Å; N185-I229 PolarHBondContact ND2-O 3.28Å; N185-I229 PolarHBondContact OD1-N 3.25Å; F187-I229 HydrophobicContact CZ-CG2 4.06Å; I229-F231 HydrophobicContact CG2-CB 4.43Å; I229-F231 PolarHBondContact O-N 3.49Å; I229-M269 HydrophobicContact CG2-SD 4.13Å; I229-R271 VanDerWaalsContact CD1-NH1 3.29Å
230	K	92.9	Very high	76.5	Confident	27 Å²	27	63.6 Å²	63.6	12%	0.117	37%	0.366	C	S	.	.			trans	-78.9	112	167.5	-178.9	69.2	-179.3	-178	0	109.1	E46 T47 P48 V207	E46-K230 WeakPolarHBondContact OE1-CE 3.37Å; E46-K230 WeakPolarHBondContact OE2-CE 3.35Å; E46-K230 IonicContact OE2-NZ 2.69Å; E46-K230 PolarHBondContact OE2-NZ 3.02Å; T47-K230 CarbonylContact C-O 3.59Å; P48-K230 WeakPolarHBondContact CD-O 3.29Å; P48-K230 HydrophobicContact CG-CB 4.49Å; V207-K230 PolarHBondContact O-NZ 2.82Å
231	F	96.6	Very high	79.2	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	34%	0.335	C	S	.	.			trans	-144.4	127.6	173.6	-175	-85.2	0	0	0	110.6	T45 E46 T47 F187 I229 V244 M269 I302 T304 H309	T45-F231 HydrophobicContact CG2-CD2 4.35Å; T45-F231 HydrophobicContact CG2-CE1 4.42Å; T45-F231 HydrophobicContact CG2-CE2 3.67Å; T45-F231 HydrophobicContact CG2-CZ 3.72Å; E46-F231 WeakPolarHBondContact O-CA 3.43Å; T47-F231 HydrophobicContact CG2-CD2 4.47Å; F187-F231 HydrophobicContact CD1-CD1 4.49Å; F187-F231 HydrophobicContact CE1-CB 3.82Å; F187-F231 HydrophobicContact CE1-CD1 4.04Å; F187-F231 HydrophobicContact CE1-CG 4.35Å; F187-F231 HydrophobicContact CZ-CB 3.93Å; I229-F231 HydrophobicContact CG2-CB 4.43Å; I229-F231 PolarHBondContact O-N 3.49Å; F231-V244 HydrophobicContact CD1-CG1 4.37Å; F231-V244 HydrophobicContact CE1-CB 4.38Å; F231-V244 HydrophobicContact CE1-CG1 3.97Å; F231-M269 HydrophobicContact CB-CE 3.94Å; F231-M269 HydrophobicContact CD1-CE 3.57Å; F231-M269 HydrophobicContact CD2-CE 3.63Å; F231-M269 HydrophobicContact CD2-SD 4.39Å; F231-M269 HydrophobicContact CE1-CE 3.87Å; F231-M269 HydrophobicContact CE2-CE 3.91Å; F231-M269 HydrophobicContact CG-CE 3.45Å; F231-M269 VanDerWaalsContact CG-CE 3.45Å; F231-M269 HydrophobicContact CZ-CE 4.03Å; F231-I302 HydrophobicContact CE1-CD1 4.33Å; F231-I302 HydrophobicContact CZ-CB 4.31Å; F231-I302 HydrophobicContact CZ-CD1 4.13Å; F231-I302 HydrophobicContact CZ-CG2 4.19Å; F231-T304 HydrophobicContact CE2-CG2 4.44Å; F231-H309 HydrophobicContact CE2-CB 4.18Å; F231-H309 AromaticContact CE2-CD2 3.82Å; F231-H309 AromaticContact CE2-CE1 4Å; F231-H309 AromaticContact CE2-CG 3.65Å; F231-H309 AromaticContact CE2-ND1 3.77Å; F231-H309 HydrophobicContact CZ-CB 4.45Å
232	F	97.6	Very high	82.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	122.5	176.3	-173.2	-81.2	0	0	0	109	T45 E46 L204 V207 L208 F234 I243 V244 M245 F253	T45-F232 CarbonylContact C-O 3.56Å; T45-F232 WeakPolarHBondContact CA-O 3.33Å; E46-F232 HydrophobicContact CB-CB 4.24Å; E46-F232 PolarHBondContact N-O 3.15Å; E46-F232 PolarHBondContact O-N 3.5Å; E46-F232 VanDerWaalsContact O-N 3.09Å; L204-F232 HydrophobicContact CD1-CE1 3.65Å; L204-F232 HydrophobicContact CD1-CZ 3.46Å; L204-F232 VanDerWaalsContact CD1-CZ 3.46Å; V207-F232 HydrophobicContact CG1-CD2 3.52Å; V207-F232 HydrophobicContact CG1-CE2 3.53Å; V207-F232 HydrophobicContact CG1-CG 4.13Å; V207-F232 HydrophobicContact CG1-CZ 4.14Å; L208-F232 HydrophobicContact CD1-CE1 4.38Å; L208-F232 HydrophobicContact CD2-CD1 3.36Å; L208-F232 HydrophobicContact CD2-CE1 3.61Å; L208-F232 HydrophobicContact CD2-CG 4.33Å; L208-F232 HydrophobicContact CG-CD1 4.11Å; L208-F232 HydrophobicContact CG-CE1 3.9Å; F232-F234 HydrophobicContact CE1-CB 4.02Å; F232-I243 HydrophobicContact CE1-CG2 3.91Å; F232-I243 HydrophobicContact CE2-CG2 3.98Å; F232-I243 HydrophobicContact CZ-CG2 3.44Å; F232-I243 VanDerWaalsContact CZ-CG2 3.44Å; F232-V244 CarbonylContact C-O 3.52Å; F232-V244 WeakPolarHBondContact CA-O 3.39Å; F232-M245 HydrophobicContact CD2-CB 3.45Å; F232-M245 VanDerWaalsContact CD2-CB 3.45Å; F232-M245 HydrophobicContact CE2-CB 3.52Å; F232-M245 HydrophobicContact CE2-CE 4.09Å; F232-M245 HydrophobicContact CE2-CG 4.36Å; F232-M245 HydrophobicContact CE2-SD 3.98Å; F232-M245 HydrophobicContact CZ-CE 4.44Å; F232-F253 HydrophobicContact CE2-CE2 4.31Å; F232-F253 HydrophobicContact CE2-CZ 4.31Å; F232-F253 HydrophobicContact CZ-CZ 4.29Å
233	S	98.4	Very high	85.1	Confident	2 Å²	2	48 Å²	48	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	176	-169.7	0	0	0	0	110	L44 T45 I243 V244	L44-S233 WeakPolarHBondContact O-CA 3.26Å; T45-S233 PolarHBondContact OG1-OG 3.01Å; S233-I243 CarbonylContact O-C 3.58Å; S233-I243 VanDerWaalsContact O-CA 3.26Å; S233-I243 WeakPolarHBondContact O-CA 3.27Å; S233-I243 WeakPolarHBondContact O-CG2 3.44Å; S233-V244 PolarHBondContact N-O 2.72Å; S233-V244 PolarHBondContact O-N 3.13Å
234	F	98.5	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.4	170.7	175.2	-86.9	0	0	0	108.4	I31 F42 S43 L44 L197 L204 F232 L236 I241 I243	I31-F234 HydrophobicContact CB-CE1 4.42Å; I31-F234 HydrophobicContact CG1-CD1 4.32Å; I31-F234 HydrophobicContact CG1-CE1 4.15Å; I31-F234 HydrophobicContact CG2-CE1 3.9Å; I31-F234 HydrophobicContact CG2-CZ 3.92Å; F42-F234 HydrophobicContact CD1-CD1 4.31Å; F42-F234 HydrophobicContact CD1-CE1 4.3Å; F42-F234 HydrophobicContact CE1-CD1 4.01Å; F42-F234 HydrophobicContact CE1-CE1 4.26Å; S43-F234 CarbonylContact C-O 3.47Å; S43-F234 WeakPolarHBondContact CA-O 3.5Å; L44-F234 PolarHBondContact N-O 3.1Å; L44-F234 PolarHBondContact O-N 3.21Å; L197-F234 HydrophobicContact CD1-CE2 4.1Å; L197-F234 HydrophobicContact CD1-CZ 4.29Å; L197-F234 HydrophobicContact CD2-CZ 4.41Å; L204-F234 HydrophobicContact CD1-CD2 4.3Å; L204-F234 HydrophobicContact CD2-CD2 3.88Å; L204-F234 HydrophobicContact CD2-CE2 3.73Å; L204-F234 HydrophobicContact CD2-CZ 4.42Å; F232-F234 HydrophobicContact CE1-CB 4.02Å; F234-L236 HydrophobicContact CE1-CB 3.89Å; F234-L236 HydrophobicContact CZ-CB 4.31Å; F234-I241 HydrophobicContact CD2-CG2 4.41Å; F234-I241 HydrophobicContact CE2-CG2 3.73Å; F234-I241 HydrophobicContact CZ-CG2 4.23Å; F234-I243 HydrophobicContact CD2-CD1 4.16Å; F234-I243 HydrophobicContact CD2-CG1 3.98Å; F234-I243 HydrophobicContact CE2-CD1 4.38Å; F234-I243 HydrophobicContact CE2-CG1 4.44Å
235	S	98.3	Very high	90.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.1	175.8	-56.7	0	0	0	0	110.2	F42 S43 I241 S242	F42-S235 CarbonylContact O-C 3.53Å; F42-S235 WeakPolarHBondContact O-CA 3.42Å; S43-S235 WeakPolarHBondContact CB-OG 3.32Å; S43-S235 PolarHBondContact OG-OG 3.11Å; S235-I241 CarbonylContact O-C 3.53Å; S235-I241 VanDerWaalsContact O-CA 3.31Å; S235-I241 WeakPolarHBondContact O-CA 3.37Å; S235-S242 PolarHBondContact N-O 3.49Å; S235-S242 PolarHBondContact O-N 3.32Å
236	L	97.5	Very high	92.5	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	100.1	170.5	168.4	47.2	0	0	0	107.8	R34 F42 F234 Y240 I241	R34-L236 HydrophobicContact CG-CD2 4.02Å; R34-L236 VanDerWaalsContact NE-CD2 3.26Å; F42-L236 HydrophobicContact CD1-CB 4.46Å; F42-L236 PolarHBondContact N-O 3.46Å; F42-L236 CarbonylContact O-C 3.58Å; F42-L236 PolarHBondContact O-N 3.27Å; F42-L236 VanDerWaalsContact O-O 3.14Å; F234-L236 HydrophobicContact CE1-CB 3.89Å; F234-L236 HydrophobicContact CZ-CB 4.31Å; L236-Y240 VanDerWaalsContact CA-O 3.31Å; L236-Y240 WeakPolarHBondContact CA-O 3.45Å; L236-I241 HydrophobicContact CD1-CG1 4.25Å
237	I	96.8	Very high	94.3	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.046	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.5	-174.3	-59	167.9	0	0	0	108.9	K40 F41 L117 T119 F124 G239 Y240	K40-I237 CarbonylContact O-C 3.56Å; K40-I237 WeakPolarHBondContact O-CA 3.43Å; F41-I237 HydrophobicContact CD1-CD1 4.29Å; F41-I237 HydrophobicContact CD1-CG1 4.14Å; F41-I237 HydrophobicContact CD2-CB 4.45Å; F41-I237 HydrophobicContact CD2-CD1 4.32Å; F41-I237 HydrophobicContact CD2-CG1 4.15Å; F41-I237 HydrophobicContact CD2-CG2 3.52Å; F41-I237 HydrophobicContact CE1-CD1 3.8Å; F41-I237 HydrophobicContact CE1-CG1 4.16Å; F41-I237 HydrophobicContact CE2-CD1 3.84Å; F41-I237 HydrophobicContact CE2-CG1 4.18Å; F41-I237 HydrophobicContact CE2-CG2 3.76Å; F41-I237 HydrophobicContact CG-CG1 4.13Å; F41-I237 HydrophobicContact CG-CG2 4.16Å; F41-I237 HydrophobicContact CZ-CD1 3.56Å; F41-I237 HydrophobicContact CZ-CG1 4.19Å; L117-I237 HydrophobicContact CD2-CD1 4.05Å; T119-I237 HydrophobicContact CG2-CD1 4.08Å; F124-I237 HydrophobicContact CD2-CD1 4.02Å; F124-I237 HydrophobicContact CE2-CD1 3.54Å; F124-I237 HydrophobicContact CE2-CG2 4.27Å; F124-I237 HydrophobicContact CZ-CD1 4.25Å; F124-I237 HydrophobicContact CZ-CG2 3.89Å; I237-G239 PolarHBondContact O-N 3.11Å; I237-Y240 PolarHBondContact N-O 3.42Å; I237-Y240 WeakPolarHBondContact O-CB 3.31Å; I237-Y240 PolarHBondContact O-N 3.47Å
238	D	93.1	Very high	95	Very high	70 Å²	70	27.1 Å²	27.1	37%	0.374	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	37.7	-177.5	-69	-47.4	0	0	0	113.6	H8 K40 Y240	H8-D238 IonicContact CD2-OD2 3.23Å; H8-D238 IonicContact CE1-OD1 3.26Å; H8-D238 PolarHBondContact CE1-OD1 3.34Å; H8-D238 IonicContact CE1-OD2 3.77Å; H8-D238 IonicContact NE2-OD1 3.87Å; H8-D238 IonicContact NE2-OD2 3.35Å; H8-D238 PolarHBondContact NE2-OD2 2.88Å; K40-D238 PolarHBondContact O-N 3.1Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 3.49Å
239	G	92.6	Very high	95.4	Very high	26 Å²	26	24.2 Å²	24.2	27%	0.268	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-16.2	178.3	0	0	0	0	0	115	R34 P194 I237	R34-G239 PolarHBondContact NH1-O 2.9Å; R34-G239 VanDerWaalsContact NH1-O 3.15Å; R34-G239 PolarHBondContact NH2-O 3.02Å; P194-G239 WeakPolarHBondContact CG-O 3.45Å; I237-G239 PolarHBondContact O-N 3.11Å
240	Y	95.1	Very high	95.4	Very high	152 Å²	152	26.8 Å²	26.8	60%	0.596	13%	0.133	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.1	176.9	-62.5	-84.3	0	0	0	111.4	Q121 L236 I237 D238	Q121-Y240 HydrophobicContact CG-CD1 4.13Å; Q121-Y240 HydrophobicContact CG-CG 4.22Å; L236-Y240 VanDerWaalsContact CA-O 3.31Å; L236-Y240 WeakPolarHBondContact CA-O 3.45Å; I237-Y240 PolarHBondContact N-O 3.42Å; I237-Y240 WeakPolarHBondContact O-CB 3.31Å; I237-Y240 PolarHBondContact O-N 3.47Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 3.49Å
241	I	96.9	Very high	95.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.3	177.3	-62.2	173.6	0	0	0	109	Q121 S191 L192 P194 L197 F234 S235 L236 I243	Q121-I241 PolarHBondContact NE2-O 2.89Å; S191-I241 WeakPolarHBondContact CA-O 3.4Å; S191-I241 WeakPolarHBondContact CB-O 3.45Å; S191-I241 PolarHBondContact OG-O 3.47Å; S191-I241 VanDerWaalsContact OG-O 3.07Å; L192-I241 HydrophobicContact CB-CB 4.27Å; L192-I241 HydrophobicContact CB-CD1 4.42Å; L192-I241 HydrophobicContact CB-CG2 3.99Å; L192-I241 HydrophobicContact CD2-CD1 4.14Å; P194-I241 HydrophobicContact CB-CD1 4.43Å; P194-I241 HydrophobicContact CG-CD1 4.35Å; P194-I241 HydrophobicContact CG-CG1 4.49Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CD1-CD1 4.2Å; L197-I241 HydrophobicContact CD2-CD1 3.95Å; L197-I241 HydrophobicContact CG-CD1 4.28Å; F234-I241 HydrophobicContact CD2-CG2 4.41Å; F234-I241 HydrophobicContact CE2-CG2 3.73Å; F234-I241 HydrophobicContact CZ-CG2 4.23Å; S235-I241 CarbonylContact O-C 3.53Å; S235-I241 VanDerWaalsContact O-CA 3.31Å; S235-I241 WeakPolarHBondContact O-CA 3.37Å; L236-I241 HydrophobicContact CD1-CG1 4.25Å; I241-I243 HydrophobicContact CG2-CD1 4.18Å; I241-I243 HydrophobicContact CG2-CG1 3.85Å
242	S	97.5	Very high	95.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137	167.9	176.7	0	0	0	0	109.6	Y120 M190 S235	Y120-S242 WeakPolarHBondContact CB-OG 3.37Å; Y120-S242 PolarHBondContact N-OG 3.04Å; M190-S242 WeakPolarHBondContact O-CA 3.21Å; S235-S242 PolarHBondContact N-O 3.49Å; S235-S242 PolarHBondContact O-N 3.32Å
243	I	97.3	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.2	178.6	-38.5	-178.7	0	0	0	109.3	M190 I200 F232 S233 F234 I241 M245 L258	M190-I243 PolarHBondContact N-O 2.82Å; M190-I243 PolarHBondContact O-N 3.28Å; I200-I243 HydrophobicContact CD1-CD1 4.29Å; F232-I243 HydrophobicContact CE1-CG2 3.91Å; F232-I243 HydrophobicContact CE2-CG2 3.98Å; F232-I243 HydrophobicContact CZ-CG2 3.44Å; F232-I243 VanDerWaalsContact CZ-CG2 3.44Å; S233-I243 CarbonylContact O-C 3.58Å; S233-I243 VanDerWaalsContact O-CA 3.26Å; S233-I243 WeakPolarHBondContact O-CA 3.27Å; S233-I243 WeakPolarHBondContact O-CG2 3.44Å; F234-I243 HydrophobicContact CD2-CD1 4.16Å; F234-I243 HydrophobicContact CD2-CG1 3.98Å; F234-I243 HydrophobicContact CE2-CD1 4.38Å; F234-I243 HydrophobicContact CE2-CG1 4.44Å; I241-I243 HydrophobicContact CG2-CD1 4.18Å; I241-I243 HydrophobicContact CG2-CG1 3.85Å; I243-M245 HydrophobicContact CB-CE 3.96Å; I243-M245 HydrophobicContact CD1-CE 4.42Å; I243-M245 HydrophobicContact CG2-CE 3.42Å; I243-M245 VanDerWaalsContact CG2-CE 3.42Å; I243-L258 HydrophobicContact CD1-CD2 4.02Å
244	V	97.3	Very high	94.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.6	169.3	-177.2	0	0	0	0	108	F187 C188 V189 F231 F232 S233 I302 L311	F187-V244 HydrophobicContact CD1-CG1 4.4Å; C188-V244 WeakPolarHBondContact O-CA 3.18Å; V189-V244 HydrophobicContact CG1-CG2 4.2Å; V189-V244 HydrophobicContact CG2-CG2 4.15Å; F231-V244 HydrophobicContact CD1-CG1 4.37Å; F231-V244 HydrophobicContact CE1-CB 4.38Å; F231-V244 HydrophobicContact CE1-CG1 3.97Å; F232-V244 CarbonylContact C-O 3.52Å; F232-V244 WeakPolarHBondContact CA-O 3.39Å; S233-V244 PolarHBondContact N-O 2.72Å; S233-V244 PolarHBondContact O-N 3.13Å; V244-I302 HydrophobicContact CG2-CD1 3.94Å; V244-L311 HydrophobicContact CG1-CD1 3.67Å
245	M	95.4	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.1	-179.8	72.2	-176.9	91.8	0	0	111.1	F187 C188 F232 I243 A249 Q250 F253 L258	F187-M245 WeakPolarHBondContact CA-O 3.14Å; C188-M245 PolarHBondContact N-O 2.63Å; C188-M245 PolarHBondContact O-N 3.15Å; F232-M245 HydrophobicContact CD2-CB 3.45Å; F232-M245 VanDerWaalsContact CD2-CB 3.45Å; F232-M245 HydrophobicContact CE2-CB 3.52Å; F232-M245 HydrophobicContact CE2-CE 4.09Å; F232-M245 HydrophobicContact CE2-CG 4.36Å; F232-M245 HydrophobicContact CE2-SD 3.98Å; F232-M245 HydrophobicContact CZ-CE 4.44Å; I243-M245 HydrophobicContact CB-CE 3.96Å; I243-M245 HydrophobicContact CD1-CE 4.42Å; I243-M245 HydrophobicContact CG2-CE 3.42Å; I243-M245 VanDerWaalsContact CG2-CE 3.42Å; M245-A249 HydrophobicContact CB-CB 4.14Å; M245-A249 HydrophobicContact CG-CB 4.39Å; M245-A249 HydrophobicContact SD-CB 4.27Å; M245-Q250 HydrophobicContact CG-CB 4.22Å; M245-Q250 VanDerWaalsContact SD-CA 3.53Å; M245-Q250 HydrophobicContact SD-CB 4.06Å; M245-F253 HydrophobicContact CE-CD2 4.14Å; M245-F253 HydrophobicContact CE-CE2 3.99Å; M245-F253 HydrophobicContact CE-CZ 4.38Å; M245-F253 HydrophobicContact SD-CD2 3.63Å; M245-F253 HydrophobicContact SD-CE2 3.53Å; M245-F253 VanDerWaalsContact SD-CE2 3.53Å; M245-F253 HydrophobicContact SD-CZ 4.42Å; M245-L258 HydrophobicContact CE-CD1 4Å
246	D	93.9	Very high	93.1	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	162.7	172.9	65.4	66.9	0	0	0	112.2	N185 Q186 F187 E248 A249 Q250	N185-D246 HydrophobicContact CB-CB 4.48Å; Q186-D246 CarbonylContact O-C 3.56Å; Q186-D246 VanDerWaalsContact O-CA 3.26Å; Q186-D246 WeakPolarHBondContact O-CA 3.24Å; F187-D246 HydrophobicContact CD1-CB 4.15Å; F187-D246 HydrophobicContact CE1-CB 4.01Å; D246-E248 PolarHBondContact O-N 2.83Å; D246-E248 WeakPolarHBondContact OD1-CA 3.34Å; D246-E248 VanDerWaalsContact OD1-CB 3.24Å; D246-E248 WeakPolarHBondContact OD1-CB 3.44Å; D246-E248 PolarHBondContact OD1-N 2.89Å; D246-A249 PolarHBondContact O-N 3.44Å; D246-A249 PolarHBondContact OD1-N 2.94Å; D246-Q250 PolarHBondContact O-N 3.31Å
247	T	92.6	Very high	92.7	Very high	21 Å²	21	53.6 Å²	53.6	13%	0.129	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-20.9	-179.3	57.6	0	0	0	0	113.8	Q186 R251 L266	Q186-T247 HydrophobicContact CB-CG2 3.79Å; Q186-T247 PolarHBondContact O-N 2.9Å; T247-R251 WeakPolarHBondContact O-CG 3.38Å; T247-R251 PolarHBondContact O-N 3.13Å; T247-L266 HydrophobicContact CG2-CD1 4.49Å; T247-L266 HydrophobicContact CG2-CD2 3.66Å
248	E	91.1	Very high	92.3	Very high	140 Å²	140	54.2 Å²	54.2	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-74.8	-47	174.9	-171.9	-171.9	164.8	0	0	110.8	D246 Q250 R251	D246-E248 PolarHBondContact O-N 2.83Å; D246-E248 WeakPolarHBondContact OD1-CA 3.34Å; D246-E248 VanDerWaalsContact OD1-CB 3.24Å; D246-E248 WeakPolarHBondContact OD1-CB 3.44Å; D246-E248 PolarHBondContact OD1-N 2.89Å; E248-Q250 VanDerWaalsContact C-N 3.33Å; E248-Q250 PolarHBondContact O-N 2.82Å; E248-R251 PolarHBondContact O-N 3.46Å
249	A	92.2	Very high	92	Very high	7 Å²	7	55.3 Å²	55.3	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-44	173.7	0	0	0	0	0	111	M245 D246 R251 R252 F253	M245-A249 HydrophobicContact CB-CB 4.14Å; M245-A249 HydrophobicContact CG-CB 4.39Å; M245-A249 HydrophobicContact SD-CB 4.27Å; D246-A249 PolarHBondContact O-N 3.44Å; D246-A249 PolarHBondContact OD1-N 2.94Å; A249-R251 VanDerWaalsContact C-N 3.28Å; A249-R251 PolarHBondContact O-N 3.36Å; A249-R252 WeakPolarHBondContact O-CB 3.42Å; A249-R252 PolarHBondContact O-N 3.03Å; A249-F253 VanDerWaalsContact O-CD2 3.28Å; A249-F253 WeakPolarHBondContact O-CD2 3.31Å
250	Q	92.8	Very high	91.6	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.299	28%	0.278	S	S	.	.	H	α-helix	trans	-54.3	-41.4	178.2	-172.7	-147.4	-21.2	0	0	112.6	C188 M190 M245 D246 E248 R252 F253	C188-Q250 PolarHBondContact SG-OE1 2.88Å; M190-Q250 HydrophobicContact CE-CG 3.55Å; M190-Q250 HydrophobicContact SD-CG 4.09Å; M245-Q250 HydrophobicContact CG-CB 4.22Å; M245-Q250 VanDerWaalsContact SD-CA 3.53Å; M245-Q250 HydrophobicContact SD-CB 4.06Å; D246-Q250 PolarHBondContact O-N 3.31Å; E248-Q250 VanDerWaalsContact C-N 3.33Å; E248-Q250 PolarHBondContact O-N 2.82Å; Q250-R252 PolarHBondContact O-N 2.82Å; Q250-F253 PolarHBondContact O-N 2.94Å
251	R	92.4	Very high	90.4	Very high	184 Å²	184	53.1 Å²	53.1	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.3	-179.2	-72.4	171.7	-165.8	129	6.3	113.9	T247 E248 A249	T247-R251 WeakPolarHBondContact O-CG 3.38Å; T247-R251 PolarHBondContact O-N 3.13Å; E248-R251 PolarHBondContact O-N 3.46Å; A249-R251 VanDerWaalsContact C-N 3.28Å; A249-R251 PolarHBondContact O-N 3.36Å
252	R	93.9	Very high	88.7	Confident	98 Å²	98	54.8 Å²	54.8	37%	0.37	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.8	176.6	-60.2	167.5	63.1	-178.4	-0	112.5	T203 D206 S211 A249 Q250	T203-R252 HydrophobicContact CG2-CB 3.94Å; T203-R252 VanDerWaalsContact CG2-O 3.3Å; T203-R252 WeakPolarHBondContact CG2-O 3.22Å; D206-R252 IonicContact OD1-NH2 3.76Å; D206-R252 IonicContact OD2-CZ 3.79Å; D206-R252 IonicContact OD2-NH2 2.6Å; D206-R252 PolarHBondContact OD2-NH2 2.93Å; S211-R252 PolarHBondContact OG-NH1 3.26Å; S211-R252 PolarHBondContact OG-NH2 3.17Å; S211-R252 VanDerWaalsContact OG-NH2 3.08Å; A249-R252 WeakPolarHBondContact O-CB 3.42Å; A249-R252 PolarHBondContact O-N 3.03Å; Q250-R252 PolarHBondContact O-N 2.82Å
253	F	93.6	Very high	86.9	Confident	12 Å²	12	60.9 Å²	60.9	5%	0.053	33%	0.332	C	S	.	.	S	Bend	trans	-89.5	150.9	179	-69.7	-94.3	0	0	0	111.5	I200 T203 L204 V207 F232 M245 A249 Q250 A255 L258	I200-F253 HydrophobicContact CB-CD1 4Å; I200-F253 HydrophobicContact CB-CE1 4.24Å; I200-F253 HydrophobicContact CD1-CD1 4.08Å; I200-F253 HydrophobicContact CD1-CE1 3.94Å; I200-F253 HydrophobicContact CG2-CD1 4.24Å; T203-F253 HydrophobicContact CG2-CD1 3.89Å; T203-F253 HydrophobicContact CG2-CD2 4.05Å; T203-F253 HydrophobicContact CG2-CE1 3.85Å; T203-F253 HydrophobicContact CG2-CE2 4.03Å; T203-F253 HydrophobicContact CG2-CG 3.98Å; T203-F253 HydrophobicContact CG2-CZ 3.93Å; L204-F253 HydrophobicContact CB-CE1 4.1Å; L204-F253 HydrophobicContact CB-CZ 4.41Å; L204-F253 HydrophobicContact CD1-CE1 4.47Å; L204-F253 HydrophobicContact CD1-CZ 4.23Å; V207-F253 HydrophobicContact CB-CZ 4.49Å; V207-F253 HydrophobicContact CG2-CE2 3.94Å; V207-F253 HydrophobicContact CG2-CZ 4.12Å; F232-F253 HydrophobicContact CE2-CE2 4.31Å; F232-F253 HydrophobicContact CE2-CZ 4.31Å; F232-F253 HydrophobicContact CZ-CZ 4.29Å; M245-F253 HydrophobicContact CE-CD2 4.14Å; M245-F253 HydrophobicContact CE-CE2 3.99Å; M245-F253 HydrophobicContact CE-CZ 4.38Å; M245-F253 HydrophobicContact SD-CD2 3.63Å; M245-F253 HydrophobicContact SD-CE2 3.53Å; M245-F253 VanDerWaalsContact SD-CE2 3.53Å; M245-F253 HydrophobicContact SD-CZ 4.42Å; A249-F253 VanDerWaalsContact O-CD2 3.28Å; A249-F253 WeakPolarHBondContact O-CD2 3.31Å; Q250-F253 PolarHBondContact O-N 2.94Å; F253-A255 PolarHBondContact O-N 3.11Å; F253-L258 HydrophobicContact CB-CD1 3.45Å; F253-L258 VanDerWaalsContact CB-CD1 3.45Å; F253-L258 HydrophobicContact CB-CG 4.4Å; F253-L258 HydrophobicContact CD1-CD1 4.26Å; F253-L258 HydrophobicContact CD2-CD1 4.4Å; F253-L258 HydrophobicContact CG-CD1 3.81Å
254	P	89.6	Confident	85.5	Confident	48 Å²	48	64.2 Å²	64.2	31%	0.312	37%	0.366	S	S	.	.			trans	-60.4	124.2	170.7	-20.9	33.3	0	0	0	111.2	I200 D256 L257	I200-P254 HydrophobicContact CG2-CG 4.35Å; P254-D256 WeakPolarHBondContact CB-OD1 3.13Å; P254-D256 PolarHBondContact O-N 3.47Å; P254-L257 HydrophobicContact CB-CD1 3.97Å; P254-L257 HydrophobicContact CB-CG 4.12Å; P254-L257 HydrophobicContact CG-CD1 4.05Å; P254-L257 PolarHBondContact O-N 2.85Å
255	A	76.8	Confident	84.7	Confident	93 Å²	93	67 Å²	67	77%	0.769	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.6	-172.1	0	0	0	0	0	114.3	F253	F253-A255 PolarHBondContact O-N 3.11Å
256	D	86.7	Confident	84.5	Confident	138 Å²	138	68.6 Å²	68.6	74%	0.738	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-13	-177	58.8	-38.5	0	0	0	113.8	P254	P254-D256 WeakPolarHBondContact CB-OD1 3.13Å; P254-D256 PolarHBondContact O-N 3.47Å
257	L	88.7	Confident	84.6	Confident	38 Å²	38	68 Å²	68	20%	0.199	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-35.7	-177	-61	-178.6	0	0	0	112.9	L192 T196 I200 P254	L192-L257 HydrophobicContact CD1-CB 3.95Å; L192-L257 WeakPolarHBondContact CD1-O 3.19Å; T196-L257 HydrophobicContact CG2-CD2 4.31Å; I200-L257 HydrophobicContact CG2-CB 4.46Å; I200-L257 HydrophobicContact CG2-CD1 3.68Å; P254-L257 HydrophobicContact CB-CD1 3.97Å; P254-L257 HydrophobicContact CB-CG 4.12Å; P254-L257 HydrophobicContact CG-CD1 4.05Å; P254-L257 PolarHBondContact O-N 2.85Å
258	L	88.8	Confident	84.8	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.12	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.2	-178.9	-64.7	173.4	0	0	0	110.6	M190 L192 I243 M245 F253	M190-L258 HydrophobicContact SD-CB 3.83Å; M190-L258 HydrophobicContact SD-CD1 3.85Å; M190-L258 HydrophobicContact SD-CG 4.35Å; L192-L258 HydrophobicContact CB-CD2 4.38Å; L192-L258 HydrophobicContact CD1-CD2 3.99Å; I243-L258 HydrophobicContact CD1-CD2 4.02Å; M245-L258 HydrophobicContact CE-CD1 4Å; F253-L258 HydrophobicContact CB-CD1 3.45Å; F253-L258 VanDerWaalsContact CB-CD1 3.45Å; F253-L258 HydrophobicContact CB-CG 4.4Å; F253-L258 HydrophobicContact CD1-CD1 4.26Å; F253-L258 HydrophobicContact CD2-CD1 4.4Å; F253-L258 HydrophobicContact CG-CD1 3.81Å
259	F	86.9	Confident	85	Confident	92 Å²	92	62.1 Å²	62.1	40%	0.404	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.2	176.1	55.6	-91.8	0	0	0	112	Y120 M190 S191	Y120-F259 HydrophobicContact CE1-CD2 4.46Å; Y120-F259 HydrophobicContact CE1-CE2 4.25Å; M190-F259 WeakPolarHBondContact CA-O 3.43Å; S191-F259 PolarHBondContact N-O 2.84Å; S191-F259 WeakPolarHBondContact O-CD1 3.31Å; S191-F259 PolarHBondContact O-N 2.86Å; S191-F259 WeakPolarHBondContact OG-CE2 3.38Å; S191-F259 WeakPolarHBondContact OG-CZ 3.25Å
260	T	83.1	Confident	85.2	Confident	51 Å²	51	61.8 Å²	61.8	31%	0.313	35%	0.35	S	S	.	.			trans	-132.8	158.3	174.9	179.7	0	0	0	0	108.9	V189 S262	V189-T260 PolarHBondContact O-OG1 3.03Å; T260-S262 WeakPolarHBondContact CG2-O 3.28Å; T260-S262 PolarHBondContact O-N 2.75Å
261	S	70.4	Confident	85.4	Confident	82 Å²	82	59.9 Å²	59.9	57%	0.573	34%	0.34	S	S	*	.	S	Bend	trans	-66.6	-20.5	-174.6	-52.4	0	0	0	0	113.5	Y120	Y120-S261 WeakPolarHBondContact CE2-OG 3.31Å; Y120-S261 WeakPolarHBondContact OH-CA 3.33Å; Y120-S261 PolarHBondContact OH-N 3.22Å; Y120-S261 VanDerWaalsContact OH-N 3.13Å; Y120-S261 PolarHBondContact OH-OG 3.07Å
262	S	62.5	Low	85.5	Confident	36 Å²	36	51.1 Å²	51.1	25%	0.252	31%	0.307	S	S	.	.	S	Bend	trans	-154.9	122.2	-160.8	37.8	0	0	0	0	108.5	T260 G264 E265	T260-S262 WeakPolarHBondContact CG2-O 3.28Å; T260-S262 PolarHBondContact O-N 2.75Å; S262-G264 PolarHBondContact O-N 3.09Å; S262-E265 WeakPolarHBondContact CB-OE2 3.43Å; S262-E265 PolarHBondContact O-N 2.93Å; S262-E265 WeakPolarHBondContact OG-CB 3.46Å; S262-E265 PolarHBondContact OG-OE2 3.26Å
263	S	59.4	Low	85.4	Confident	130 Å²	130	47 Å²	47	91%	0.909	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	109.3	179.3	58.7	0	0	0	0	110
264	G	66.8	Low	85.1	Confident	70 Å²	70	49 Å²	49	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	8.2	174.5	0	0	0	0	0	115.9	S262 L266	S262-G264 PolarHBondContact O-N 3.09Å; G264-L266 PolarHBondContact O-N 3.29Å
265	E	80.3	Confident	85	Confident	61 Å²	61	54.1 Å²	54.1	29%	0.285	34%	0.339	S	S	.	.			trans	-71.6	111.8	171.5	-168.9	175.9	-158.7	0	0	109.5	S262 W267	S262-E265 WeakPolarHBondContact CB-OE2 3.43Å; S262-E265 PolarHBondContact O-N 2.93Å; S262-E265 WeakPolarHBondContact OG-CB 3.46Å; S262-E265 PolarHBondContact OG-OE2 3.26Å; E265-W267 VanDerWaalsContact CD-CZ2 3.44Å; E265-W267 HydrophobicContact CG-CZ2 4.02Å; E265-W267 WeakPolarHBondContact OE1-CZ2 3.33Å
266	L	92.5	Very high	85.8	Confident	34 Å²	34	54.1 Å²	54.1	18%	0.178	33%	0.331	C	S	.	.			trans	-109.8	146.9	177.5	-64.8	178.1	0	0	0	109.4	Q186 C188 T247 G264 E314	Q186-L266 HydrophobicContact CB-CB 4.4Å; Q186-L266 HydrophobicContact CB-CD1 4.14Å; Q186-L266 HydrophobicContact CG-CD1 4.24Å; C188-L266 WeakPolarHBondContact SG-CD2 3.29Å; T247-L266 HydrophobicContact CG2-CD1 4.49Å; T247-L266 HydrophobicContact CG2-CD2 3.66Å; G264-L266 PolarHBondContact O-N 3.29Å; L266-E314 HydrophobicContact CB-CB 4.37Å; L266-E314 WeakPolarHBondContact O-CB 3.42Å; L266-E314 PolarHBondContact O-N 3.39Å
267	W	95.1	Very high	86	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.019	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.9	-174.8	-60.1	77.9	0	0	0	110.1	F187 V189 E265 Y300 L311 V312 P313	F187-W267 HydrophobicContact CB-CB 4.27Å; F187-W267 PolarHBondContact N-O 2.86Å; F187-W267 PolarHBondContact O-N 3.24Å; V189-W267 HydrophobicContact CG2-CG 4.38Å; E265-W267 VanDerWaalsContact CD-CZ2 3.44Å; E265-W267 HydrophobicContact CG-CZ2 4.02Å; E265-W267 WeakPolarHBondContact OE1-CZ2 3.33Å; W267-Y300 HydrophobicContact CD2-CD2 4.02Å; W267-Y300 HydrophobicContact CD2-CE2 4.09Å; W267-Y300 AromaticContact CE2-CE2 3.62Å; W267-Y300 AromaticContact CE3-CD2 3.87Å; W267-Y300 HydrophobicContact CE3-CD2 3.87Å; W267-Y300 HydrophobicContact CE3-CE2 4.22Å; W267-Y300 AromaticContact CH2-CD2 3.86Å; W267-Y300 HydrophobicContact CH2-CD2 3.86Å; W267-Y300 AromaticContact CH2-CE2 3.52Å; W267-Y300 HydrophobicContact CH2-CE2 3.52Å; W267-Y300 HydrophobicContact CZ2-CD2 4.01Å; W267-Y300 AromaticContact CZ2-CE2 3.35Å; W267-Y300 HydrophobicContact CZ2-CE2 3.35Å; W267-Y300 AromaticContact CZ3-CD2 3.78Å; W267-Y300 HydrophobicContact CZ3-CD2 3.78Å; W267-Y300 AromaticContact CZ3-CE2 3.95Å; W267-Y300 HydrophobicContact CZ3-CE2 3.95Å; W267-L311 HydrophobicContact CB-CB 4.11Å; W267-L311 HydrophobicContact CE3-CB 4.19Å; W267-V312 CarbonylContact C-O 3.52Å; W267-V312 VanDerWaalsContact CA-O 3.31Å; W267-V312 WeakPolarHBondContact CA-O 3.36Å; W267-V312 VanDerWaalsContact CE3-C 3.43Å; W267-P313 HydrophobicContact CH2-CG 4.35Å; W267-P313 HydrophobicContact CZ3-CG 4.06Å
268	R	96.4	Very high	86.2	Confident	38 Å²	38	48.7 Å²	48.7	14%	0.143	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.9	172.4	-68.6	-65.3	-57.3	-74.2	-7.1	109.4	P183 N185 L311 V312 E314 I317	P183-R268 PolarHBondContact O-NE 2.9Å; P183-R268 PolarHBondContact O-NH2 2.82Å; N185-R268 VanDerWaalsContact O-CD 3.27Å; N185-R268 WeakPolarHBondContact O-CD 3.39Å; N185-R268 PolarHBondContact O-NE 2.92Å; R268-L311 WeakPolarHBondContact O-CA 3.47Å; R268-V312 PolarHBondContact N-O 3.24Å; R268-V312 PolarHBondContact O-N 2.72Å; R268-E314 HydrophobicContact CG-CB 3.92Å; R268-E314 HydrophobicContact CG-CG 3.9Å; R268-I317 HydrophobicContact CB-CB 4.01Å; R268-I317 HydrophobicContact CB-CD1 3.67Å; R268-I317 HydrophobicContact CB-CG1 3.73Å; R268-I317 HydrophobicContact CG-CB 4.08Å; R268-I317 HydrophobicContact CG-CG1 4.11Å; R268-I317 HydrophobicContact CG-CG2 4.37Å
269	M	96.7	Very high	86.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.1	-178.4	-179	177.3	-73.9	0	0	111.5	P183 F187 I229 F231 H309 A310 L311	P183-M269 WeakPolarHBondContact CD-O 3.18Å; P183-M269 HydrophobicContact CG-CB 3.99Å; P183-M269 HydrophobicContact CG-CG 4.34Å; P183-M269 HydrophobicContact CG-SD 4.31Å; F187-M269 HydrophobicContact CD2-CB 3.98Å; F187-M269 HydrophobicContact CD2-CE 4.29Å; F187-M269 HydrophobicContact CE1-CE 4.21Å; F187-M269 HydrophobicContact CE2-CB 3.58Å; F187-M269 HydrophobicContact CE2-CE 3.69Å; F187-M269 HydrophobicContact CE2-CG 4.47Å; F187-M269 HydrophobicContact CE2-SD 4.16Å; F187-M269 HydrophobicContact CZ-CE 3.66Å; F187-M269 HydrophobicContact CZ-SD 4.28Å; I229-M269 HydrophobicContact CG2-SD 4.13Å; F231-M269 HydrophobicContact CB-CE 3.94Å; F231-M269 HydrophobicContact CD1-CE 3.57Å; F231-M269 HydrophobicContact CD2-CE 3.63Å; F231-M269 HydrophobicContact CD2-SD 4.39Å; F231-M269 HydrophobicContact CE1-CE 3.87Å; F231-M269 HydrophobicContact CE2-CE 3.91Å; F231-M269 HydrophobicContact CG-CE 3.45Å; F231-M269 VanDerWaalsContact CG-CE 3.45Å; F231-M269 HydrophobicContact CZ-CE 4.03Å; M269-H309 HydrophobicContact CE-CB 4.21Å; M269-H309 HydrophobicContact CG-CB 4.39Å; M269-H309 HydrophobicContact SD-CB 4.32Å; M269-H309 VanDerWaalsContact SD-CD2 3.6Å; M269-A310 CarbonylContact C-O 3.54Å; M269-A310 WeakPolarHBondContact CA-O 3.47Å; M269-L311 HydrophobicContact CB-CD2 3.85Å; M269-L311 HydrophobicContact CE-CD2 3.86Å; M269-L311 HydrophobicContact CG-CD2 4.29Å
270	V	96.1	Very high	86.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	108.1	160.2	-175.3	0	0	0	0	106.7	V180 I182 I272 H309 A310 I317 V320 L324	V180-V270 HydrophobicContact CB-CG1 3.85Å; V180-V270 HydrophobicContact CG1-CG1 3.99Å; I182-V270 HydrophobicContact CD1-CG2 4.31Å; I182-V270 HydrophobicContact CG1-CG1 4.33Å; I182-V270 HydrophobicContact CG1-CG2 4.21Å; V270-I272 HydrophobicContact CG1-CG1 4.38Å; V270-I272 VanDerWaalsContact O-CD1 3.25Å; V270-I272 WeakPolarHBondContact O-CD1 3.37Å; V270-H309 WeakPolarHBondContact O-CA 3.25Å; V270-A310 HydrophobicContact CB-CB 4.41Å; V270-A310 PolarHBondContact N-O 2.96Å; V270-A310 PolarHBondContact O-N 3.42Å; V270-I317 HydrophobicContact CG2-CD1 4.2Å; V270-V320 HydrophobicContact CG2-CG1 4.01Å; V270-L324 HydrophobicContact CG1-CD1 3.71Å; V270-L324 HydrophobicContact CG2-CD1 4.33Å
271	R	95.9	Very high	86.8	Confident	24 Å²	24	48 Å²	48	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.9	173.8	176.8	173.6	171.4	175.9	-2.3	109.3	E49 V180 L181 I229 F307	E49-R271 IonicContact OE1-CZ 2.7Å; E49-R271 VanDerWaalsContact OE1-CZ 3.27Å; E49-R271 IonicContact OE1-NH1 3.27Å; E49-R271 PolarHBondContact OE1-NH1 3.17Å; E49-R271 IonicContact OE1-NH2 3.38Å; E49-R271 PolarHBondContact OE1-NH2 2.87Å; E49-R271 IonicContact OE2-CZ 3.51Å; E49-R271 IonicContact OE2-NH1 3.97Å; E49-R271 IonicContact OE2-NH2 2.9Å; V180-R271 CarbonylContact C-O 3.57Å; V180-R271 VanDerWaalsContact CA-O 3.27Å; V180-R271 WeakPolarHBondContact CA-O 3.48Å; L181-R271 HydrophobicContact CB-CB 4.35Å; L181-R271 PolarHBondContact N-O 3.15Å; L181-R271 PolarHBondContact O-N 2.85Å; I229-R271 VanDerWaalsContact CD1-NH1 3.29Å; R271-F307 HydrophobicContact CG-CB 4.47Å; R271-F307 VanDerWaalsContact NH2-CZ 3.35Å
272	I	95	Very high	87.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.5	-173.4	-56.5	110	0	0	0	110.1	H178 V180 V270 I284 I288 Y301 D308 A310	H178-I272 HydrophobicContact CB-CG2 3.78Å; V180-I272 HydrophobicContact CG1-CG1 4.1Å; V270-I272 HydrophobicContact CG1-CG1 4.38Å; V270-I272 VanDerWaalsContact O-CD1 3.25Å; V270-I272 WeakPolarHBondContact O-CD1 3.37Å; I272-I284 HydrophobicContact CG2-CG2 3.99Å; I272-I288 HydrophobicContact CD1-CG1 4.19Å; I272-I288 HydrophobicContact CD1-CG2 4.48Å; I272-I288 HydrophobicContact CG1-CD1 4.03Å; I272-I288 HydrophobicContact CG1-CG1 3.98Å; I272-Y301 HydrophobicContact CD1-CE2 4.26Å; I272-D308 HydrophobicContact CB-CB 4.08Å; I272-D308 HydrophobicContact CD1-CB 4.15Å; I272-D308 PolarHBondContact N-O 3.39Å; I272-D308 PolarHBondContact O-N 2.93Å; I272-A310 HydrophobicContact CD1-CB 4.18Å
273	G	91.6	Very high	88.9	Confident	11 Å²	11	44.7 Å²	44.7	11%	0.113	29%	0.288	C	S	.	.			trans	109.8	131.1	178.1	0	0	0	0	0	112.8	P179 F307	P179-G273 PolarHBondContact O-N 3.19Å; G273-F307 WeakPolarHBondContact O-CD1 3.42Å; G273-F307 WeakPolarHBondContact O-CE1 2.87Å
274	G	86.8	Confident	90.5	Very high	54 Å²	54	39 Å²	39	56%	0.557	25%	0.248	S	C	*	.	S	Bend	trans	-95.3	-17.2	174.9	0	0	0	0	0	113.1	P179	P179-G274 VanDerWaalsContact CG-CA 3.5Å; P179-G274 VanDerWaalsContact CG-N 3.31Å
275	Q	89.2	Confident	91.7	Very high	156 Å²	156	35.9 Å²	35.9	73%	0.729	22%	0.215	S	C	*	.	S	Bend	trans	-137.6	163.8	173.7	-65.9	-172.7	-9.7	0	0	107.8	L277 F307	Q275-L277 PolarHBondContact O-N 2.83Å; Q275-L277 VanDerWaalsContact O-N 3.16Å; Q275-F307 WeakPolarHBondContact O-CE1 3.11Å
276	P	92.4	Very high	92.2	Very high	93 Å²	93	33.2 Å²	33.2	60%	0.604	20%	0.203	S	C	*	.			trans	-53.6	121.8	175.8	-27.1	36.1	0	0	0	111.8	G278 S306	P276-G278 VanDerWaalsContact C-N 3.28Å; P276-G278 PolarHBondContact O-N 2.85Å; P276-S306 CarbonylContact C-O 3.55Å; P276-S306 VanDerWaalsContact CA-O 3.28Å; P276-S306 WeakPolarHBondContact CA-O 3.3Å
277	L	91.5	Very high	92.1	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.105	20%	0.204	C	C	.	.			trans	-68.1	-27.3	-174.1	-60.6	174.2	0	0	0	112.8	H178 Q275 I284 S306 D308	H178-L277 WeakPolarHBondContact CE1-CD2 3.41Å; H178-L277 VanDerWaalsContact ND1-CD2 3.31Å; H178-L277 WeakPolarHBondContact ND1-CD2 3.42Å; Q275-L277 PolarHBondContact O-N 2.83Å; Q275-L277 VanDerWaalsContact O-N 3.16Å; L277-I284 HydrophobicContact CB-CD1 4.01Å; L277-I284 HydrophobicContact CD1-CD1 4.1Å; L277-I284 HydrophobicContact CD1-CG2 4.26Å; L277-I284 HydrophobicContact CD2-CD1 4.01Å; L277-I284 HydrophobicContact CG-CD1 4.25Å; L277-S306 PolarHBondContact N-O 2.8Å; L277-D308 HydrophobicContact CD1-CB 3.96Å
278	G	92.6	Very high	92	Very high	42 Å²	42	33.5 Å²	33.5	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-160.2	-171.3	0	0	0	0	0	112.2	P276	P276-G278 VanDerWaalsContact C-N 3.28Å; P276-G278 PolarHBondContact O-N 2.85Å
279	F	93.6	Very high	91.9	Very high	25 Å²	25	31.7 Å²	31.7	11%	0.11	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	11.8	-169.8	-60	-84	0	0	0	113.6	V12 E72 W76 S113 F115 R128 F305	V12-F279 HydrophobicContact CB-CE1 4.4Å; V12-F279 HydrophobicContact CG1-CE1 3.87Å; V12-F279 HydrophobicContact CG1-CZ 4.06Å; E72-F279 HydrophobicContact CB-CD2 4.32Å; E72-F279 HydrophobicContact CB-CE2 4.07Å; E72-F279 HydrophobicContact CB-CZ 4.18Å; E72-F279 HydrophobicContact CG-CB 4.14Å; E72-F279 HydrophobicContact CG-CD1 3.94Å; E72-F279 HydrophobicContact CG-CD2 3.38Å; E72-F279 HydrophobicContact CG-CE1 4.16Å; E72-F279 HydrophobicContact CG-CE2 3.62Å; E72-F279 HydrophobicContact CG-CG 3.54Å; E72-F279 HydrophobicContact CG-CZ 4Å; W76-F279 HydrophobicContact CH2-CB 4.46Å; W76-F279 HydrophobicContact CH2-CD1 4.34Å; W76-F279 HydrophobicContact CZ2-CB 4.07Å; W76-F279 AromaticContact CZ2-CD1 3.82Å; W76-F279 HydrophobicContact CZ2-CD1 3.82Å; W76-F279 HydrophobicContact CZ2-CG 4.31Å; S113-F279 PolarHBondContact OG-O 3.04Å; F115-F279 HydrophobicContact CD2-CD1 4.32Å; F115-F279 AromaticContact CD2-CE1 3.95Å; F115-F279 HydrophobicContact CD2-CE1 3.95Å; F115-F279 HydrophobicContact CE2-CE1 4.03Å; R128-F279 PolarHBondContact NH1-O 3.3Å; R128-F279 VanDerWaalsContact NH1-O 3.08Å; F279-F305 HydrophobicContact CE2-CD1 4.43Å; F279-F305 HydrophobicContact CE2-CD2 4.14Å; F279-F305 HydrophobicContact CE2-CE1 4.16Å; F279-F305 AromaticContact CE2-CE2 3.86Å; F279-F305 HydrophobicContact CE2-CE2 3.86Å; F279-F305 HydrophobicContact CE2-CG 4.4Å; F279-F305 AromaticContact CE2-CZ 3.86Å; F279-F305 HydrophobicContact CE2-CZ 3.86Å; F279-F305 HydrophobicContact CZ-CD1 4.4Å; F279-F305 AromaticContact CZ-CD2 3.6Å; F279-F305 HydrophobicContact CZ-CD2 3.6Å; F279-F305 AromaticContact CZ-CE2 3.73Å; F279-F305 HydrophobicContact CZ-CE2 3.73Å; F279-F305 AromaticContact CZ-CG 3.94Å; F279-F305 HydrophobicContact CZ-CG 3.94Å; F279-F305 HydrophobicContact CZ-CZ 4.18Å
280	D	90.2	Very high	91.6	Very high	94 Å²	94	35 Å²	35	50%	0.503	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-26.6	-176	-77.6	-49.7	0	0	0	113.1	R128 K170 C282	R128-D280 IonicContact CZ-OD1 3.51Å; R128-D280 IonicContact NH1-OD1 3.98Å; R128-D280 PolarHBondContact NH1-OD1 3.21Å; K170-D280 IonicContact NZ-OD1 3.84Å; K170-D280 PolarHBondContact NZ-OD1 3.11Å; D280-C282 PolarHBondContact O-SG 3.24Å
281	E	88.5	Confident	91.4	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.154	22%	0.216	C	C	.	.			trans	-65.7	141.3	174.5	-168.5	173	171.7	0	0	110.1	S113 T176 H178 I284	S113-E281 PolarHBondContact OG-O 3.25Å; T176-E281 PolarHBondContact N-OE1 2.79Å; H178-E281 IonicContact CD2-OE1 3.23Å; H178-E281 IonicContact CE1-OE1 3.04Å; H178-E281 IonicContact CE1-OE2 3.8Å; H178-E281 PolarHBondContact CE1-OE2 3.23Å; H178-E281 VanDerWaalsContact CE1-OE2 3.23Å; H178-E281 IonicContact NE2-OE1 2.65Å; H178-E281 PolarHBondContact NE2-OE1 2.79Å; H178-E281 IonicContact NE2-OE2 2.74Å; H178-E281 PolarHBondContact NE2-OE2 3.39Å; E281-I284 HydrophobicContact CB-CD1 3.93Å; E281-I284 HydrophobicContact CB-CG1 4.46Å; E281-I284 HydrophobicContact CG-CD1 3.92Å; E281-I284 HydrophobicContact CG-CG1 3.97Å
282	C	89.3	Confident	91.2	Very high	25 Å²	25	34.5 Å²	34.5	17%	0.169	21%	0.212	C	C	.	.			trans	-119	152.5	-177.4	-57.9	0	0	0	0	108.9	H111 V112 S113 D280 I284	H111-C282 PolarHBondContact O-SG 2.75Å; V112-C282 VanDerWaalsContact C-SG 3.58Å; S113-C282 PolarHBondContact N-SG 2.92Å; S113-C282 VanDerWaalsContact N-SG 3.37Å; D280-C282 PolarHBondContact O-SG 3.24Å; C282-I284 VanDerWaalsContact C-N 3.35Å; C282-I284 PolarHBondContact O-N 3.39Å
283	G	87.6	Confident	91	Very high	22 Å²	22	35.2 Å²	35.2	23%	0.227	22%	0.218	C	C	.	.	S	Bend	trans	84.2	-1.7	174.6	0	0	0	0	0	116	V285 A286 Q287	G283-V285 PolarHBondContact O-N 2.84Å; G283-A286 PolarHBondContact O-N 2.88Å; G283-Q287 WeakPolarHBondContact O-CB 3.37Å; G283-Q287 PolarHBondContact O-N 3.41Å
284	I	91.8	Very high	91	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-51.5	173.7	-57.4	174.6	0	0	0	110.4	I272 L277 E281 C282 A286 Q287 I288 D308	I272-I284 HydrophobicContact CG2-CG2 3.99Å; L277-I284 HydrophobicContact CB-CD1 4.01Å; L277-I284 HydrophobicContact CD1-CD1 4.1Å; L277-I284 HydrophobicContact CD1-CG2 4.26Å; L277-I284 HydrophobicContact CD2-CD1 4.01Å; L277-I284 HydrophobicContact CG-CD1 4.25Å; E281-I284 HydrophobicContact CB-CD1 3.93Å; E281-I284 HydrophobicContact CB-CG1 4.46Å; E281-I284 HydrophobicContact CG-CD1 3.92Å; E281-I284 HydrophobicContact CG-CG1 3.97Å; C282-I284 VanDerWaalsContact C-N 3.35Å; C282-I284 PolarHBondContact O-N 3.39Å; I284-A286 VanDerWaalsContact C-N 3.33Å; I284-A286 PolarHBondContact O-N 3Å; I284-Q287 WeakPolarHBondContact O-CB 3.33Å; I284-Q287 PolarHBondContact O-N 2.88Å; I284-I288 PolarHBondContact O-N 3.45Å; I284-D308 WeakPolarHBondContact CG2-OD2 3.3Å
285	V	92.9	Very high	91.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-43.7	177.2	-173.4	0	0	0	0	110.5	V96 I104 V114 M116 G283 Q287 I288 S289 Y301	V96-V285 HydrophobicContact CG2-CG1 4.24Å; I104-V285 HydrophobicContact CD1-CG1 4.43Å; I104-V285 HydrophobicContact CG1-CG1 4.48Å; I104-V285 HydrophobicContact CG2-CB 3.9Å; I104-V285 HydrophobicContact CG2-CG1 3.77Å; V114-V285 HydrophobicContact CG2-CB 4.26Å; V114-V285 HydrophobicContact CG2-CG2 3.84Å; M116-V285 HydrophobicContact CG-CB 4.37Å; M116-V285 HydrophobicContact CG-CG1 3.69Å; M116-V285 HydrophobicContact CG-CG2 3.79Å; M116-V285 HydrophobicContact SD-CG1 4.36Å; G283-V285 PolarHBondContact O-N 2.84Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.95Å; V285-I288 PolarHBondContact O-N 2.67Å; V285-I288 VanDerWaalsContact O-N 3.11Å; V285-S289 WeakPolarHBondContact O-CB 3.36Å; V285-S289 PolarHBondContact O-N 3.25Å; V285-S289 PolarHBondContact O-OG 3.2Å; V285-Y301 HydrophobicContact CG1-CD1 4.49Å; V285-Y301 HydrophobicContact CG1-CD2 4.26Å; V285-Y301 HydrophobicContact CG1-CE1 4.32Å; V285-Y301 HydrophobicContact CG1-CE2 4.12Å; V285-Y301 HydrophobicContact CG1-CG 4.42Å; V285-Y301 HydrophobicContact CG2-CE1 3.87Å
286	A	91.6	Very high	91.1	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-42.3	180	0	0	0	0	0	112.1	I104 A108 G283 I284 I288 S289 Q290	I104-A286 HydrophobicContact CG2-CB 3.92Å; A108-A286 HydrophobicContact CB-CB 3.96Å; G283-A286 PolarHBondContact O-N 2.88Å; I284-A286 VanDerWaalsContact C-N 3.33Å; I284-A286 PolarHBondContact O-N 3Å; A286-I288 PolarHBondContact O-N 3.03Å; A286-S289 PolarHBondContact O-N 3.46Å; A286-Q290 VanDerWaalsContact O-CB 3.31Å; A286-Q290 WeakPolarHBondContact O-CB 3.1Å; A286-Q290 VanDerWaalsContact O-CG 3.28Å; A286-Q290 WeakPolarHBondContact O-CG 3.41Å; A286-Q290 PolarHBondContact O-N 3.39Å
287	Q	90.3	Very high	91.1	Very high	40 Å²	40	31.3 Å²	31.3	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-32.4	178.5	-170	-166.3	-21.3	0	0	112.1	T176 G283 I284 V285 P291 Q327	T176-Q287 PolarHBondContact O-OE1 3.13Å; G283-Q287 WeakPolarHBondContact O-CB 3.37Å; G283-Q287 PolarHBondContact O-N 3.41Å; I284-Q287 WeakPolarHBondContact O-CB 3.33Å; I284-Q287 PolarHBondContact O-N 2.88Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.95Å; Q287-P291 VanDerWaalsContact O-CD 3.23Å; Q287-P291 WeakPolarHBondContact O-CD 3.5Å; Q287-P291 VanDerWaalsContact O-CG 3.28Å; Q287-P291 WeakPolarHBondContact O-CG 3.36Å; Q287-Q327 PolarHBondContact O-OE1 3.17Å
288	I	92.9	Very high	91.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-94.3	-40.6	-179.6	-56.1	-60.9	0	0	0	111.7	V180 I272 I284 V285 A286 P291 L292 Y301 A310 L324	V180-I288 HydrophobicContact CG1-CD1 4.44Å; I272-I288 HydrophobicContact CD1-CG1 4.19Å; I272-I288 HydrophobicContact CD1-CG2 4.48Å; I272-I288 HydrophobicContact CG1-CD1 4.03Å; I272-I288 HydrophobicContact CG1-CG1 3.98Å; I284-I288 PolarHBondContact O-N 3.45Å; V285-I288 PolarHBondContact O-N 2.67Å; V285-I288 VanDerWaalsContact O-N 3.11Å; A286-I288 PolarHBondContact O-N 3.03Å; I288-P291 WeakPolarHBondContact O-CD 3.16Å; I288-L292 HydrophobicContact CG2-CD1 4Å; I288-L292 VanDerWaalsContact O-CD1 3.3Å; I288-L292 WeakPolarHBondContact O-CD1 3.39Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; I288-Y301 HydrophobicContact CB-CE2 4.01Å; I288-Y301 HydrophobicContact CG2-CE2 3.98Å; I288-A310 HydrophobicContact CG2-CB 4.07Å; I288-L324 HydrophobicContact CD1-CD2 3.81Å
289	S	92.6	Very high	91.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-79.2	-32.2	-172.9	67.7	0	0	0	0	113.3	A100 V285 A286 A293	A100-S289 WeakPolarHBondContact CB-O 3.31Å; A100-S289 WeakPolarHBondContact CB-OG 3.4Å; V285-S289 WeakPolarHBondContact O-CB 3.36Å; V285-S289 PolarHBondContact O-N 3.25Å; V285-S289 PolarHBondContact O-OG 3.2Å; A286-S289 PolarHBondContact O-N 3.46Å; S289-A293 WeakPolarHBondContact O-CB 3.44Å; S289-A293 PolarHBondContact O-N 3.11Å
290	Q	91.3	Very high	91.3	Very high	71 Å²	71	29.2 Å²	29.2	33%	0.332	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-47.5	179.4	-70.8	178.5	-35.6	0	0	112.9	A105 A286 L292 A293 D294	A105-Q290 HydrophobicContact CB-CG 4.31Å; A286-Q290 VanDerWaalsContact O-CB 3.31Å; A286-Q290 WeakPolarHBondContact O-CB 3.1Å; A286-Q290 VanDerWaalsContact O-CG 3.28Å; A286-Q290 WeakPolarHBondContact O-CG 3.41Å; A286-Q290 PolarHBondContact O-N 3.39Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 3.3Å; Q290-A293 CarbonylContact O-C 3.59Å; Q290-A293 WeakPolarHBondContact O-CA 3.33Å; Q290-A293 WeakPolarHBondContact O-CB 3.38Å; Q290-A293 PolarHBondContact O-N 3.19Å; Q290-D294 PolarHBondContact O-N 3Å
291	P	91.7	Very high	91.6	Very high	11 Å²	11	24.8 Å²	24.8	7%	0.071	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-37.9	-179.2	-21.7	37.6	0	0	0	111.6	Q287 I288 A293 D294 G295 M323 Q327	Q287-P291 VanDerWaalsContact O-CD 3.23Å; Q287-P291 WeakPolarHBondContact O-CD 3.5Å; Q287-P291 VanDerWaalsContact O-CG 3.28Å; Q287-P291 WeakPolarHBondContact O-CG 3.36Å; I288-P291 WeakPolarHBondContact O-CD 3.16Å; P291-A293 VanDerWaalsContact C-N 3.26Å; P291-A293 PolarHBondContact O-N 2.88Å; P291-D294 PolarHBondContact O-N 3.23Å; P291-G295 PolarHBondContact O-N 3.02Å; P291-M323 HydrophobicContact CB-CG 4.1Å; P291-M323 HydrophobicContact CB-SD 3.35Å; P291-M323 WeakPolarHBondContact CB-SD 3.26Å; P291-Q327 VanDerWaalsContact CG-CD 3.49Å
292	L	92.8	Very high	92.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-38.6	171.2	-63.9	174.9	0	0	0	111.1	I288 Q290 G295 D296 I297 A299 V312 V320 M323	I288-L292 HydrophobicContact CG2-CD1 4Å; I288-L292 VanDerWaalsContact O-CD1 3.3Å; I288-L292 WeakPolarHBondContact O-CD1 3.39Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 3.3Å; L292-G295 CarbonylContact O-C 3.53Å; L292-G295 PolarHBondContact O-N 3.29Å; L292-D296 PolarHBondContact O-N 3.36Å; L292-D296 VanDerWaalsContact O-N 3.07Å; L292-I297 HydrophobicContact CB-CB 4.41Å; L292-I297 HydrophobicContact CD2-CB 4.1Å; L292-I297 HydrophobicContact CD2-CD1 4.26Å; L292-I297 HydrophobicContact CD2-CG2 4.09Å; L292-I297 PolarHBondContact O-N 2.73Å; L292-A299 HydrophobicContact CD1-CB 3.86Å; L292-V312 HydrophobicContact CD1-CG1 4.1Å; L292-V312 HydrophobicContact CD2-CG1 4.22Å; L292-V320 HydrophobicContact CD2-CB 4.41Å; L292-V320 HydrophobicContact CD2-CG1 4.01Å; L292-V320 HydrophobicContact CD2-CG2 3.62Å; L292-M323 HydrophobicContact CD2-CE 4.31Å
293	A	90.7	Very high	92.5	Very high	16 Å²	16	22.2 Å²	22.2	13%	0.132	13%	0.134	C	C	.	.	H	α-helix	trans	-71.7	-31.9	176.2	0	0	0	0	0	114	T97 A100 S289 Q290 P291 G295 D296	T97-A293 HydrophobicContact CG2-CB 3.55Å; A100-A293 HydrophobicContact CB-CB 3.83Å; S289-A293 WeakPolarHBondContact O-CB 3.44Å; S289-A293 PolarHBondContact O-N 3.11Å; Q290-A293 CarbonylContact O-C 3.59Å; Q290-A293 WeakPolarHBondContact O-CA 3.33Å; Q290-A293 WeakPolarHBondContact O-CB 3.38Å; Q290-A293 PolarHBondContact O-N 3.19Å; P291-A293 VanDerWaalsContact C-N 3.26Å; P291-A293 PolarHBondContact O-N 2.88Å; A293-G295 VanDerWaalsContact C-N 3.29Å; A293-D296 PolarHBondContact O-N 3.48Å
294	D	90.3	Very high	93	Very high	115 Å²	115	21.4 Å²	21.4	62%	0.615	13%	0.125	S	C	*	.	H	α-helix	trans	-70.2	-30.3	171.7	-68.3	-28.4	0	0	0	111.8	K101 Q290 P291	K101-D294 WeakPolarHBondContact CE-OD1 3.33Å; K101-D294 IonicContact NZ-OD1 3.55Å; K101-D294 PolarHBondContact NZ-OD1 3.04Å; Q290-D294 PolarHBondContact O-N 3Å; P291-D294 PolarHBondContact O-N 3.23Å
295	G	88.9	Confident	93.3	Very high	44 Å²	44	22 Å²	22	45%	0.454	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.6	173.4	0	0	0	0	0	115.8	P291 L292 A293 I297	P291-G295 PolarHBondContact O-N 3.02Å; L292-G295 CarbonylContact O-C 3.53Å; L292-G295 PolarHBondContact O-N 3.29Å; A293-G295 VanDerWaalsContact C-N 3.29Å; G295-I297 PolarHBondContact O-N 3.21Å
296	D	89.8	Confident	93.4	Very high	65 Å²	65	22.6 Å²	22.6	35%	0.348	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	34.9	-171.7	-157.9	34.1	0	0	0	113.9	S91 Q92 A93 L292 A293	S91-D296 VanDerWaalsContact CA-OD1 3.31Å; S91-D296 WeakPolarHBondContact CA-OD1 3.31Å; S91-D296 VanDerWaalsContact CB-OD1 3.3Å; S91-D296 WeakPolarHBondContact CB-OD1 3.32Å; S91-D296 PolarHBondContact OG-OD1 3.08Å; Q92-D296 PolarHBondContact N-OD1 3.32Å; Q92-D296 PolarHBondContact N-OD2 2.79Å; Q92-D296 VanDerWaalsContact N-OD2 3.16Å; A93-D296 VanDerWaalsContact CB-OD1 3.3Å; A93-D296 WeakPolarHBondContact CB-OD1 3.35Å; A93-D296 PolarHBondContact N-OD1 2.64Å; A93-D296 VanDerWaalsContact N-OD1 3.13Å; L292-D296 PolarHBondContact O-N 3.36Å; L292-D296 VanDerWaalsContact O-N 3.07Å; A293-D296 PolarHBondContact O-N 3.48Å
297	I	91.8	Very high	93.7	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.036	13%	0.133	C	C	.	.			trans	-94.5	121.2	-179.3	-57.1	179.5	0	0	0	109.8	T97 L292 G295 V312 D316 V320 M323	T97-I297 WeakPolarHBondContact CB-O 3.39Å; T97-I297 WeakPolarHBondContact CG2-O 3.3Å; T97-I297 PolarHBondContact OG1-O 3.03Å; L292-I297 HydrophobicContact CB-CB 4.41Å; L292-I297 HydrophobicContact CD2-CB 4.1Å; L292-I297 HydrophobicContact CD2-CD1 4.26Å; L292-I297 HydrophobicContact CD2-CG2 4.09Å; L292-I297 PolarHBondContact O-N 2.73Å; G295-I297 PolarHBondContact O-N 3.21Å; I297-V312 HydrophobicContact CG2-CB 4.38Å; I297-V312 HydrophobicContact CG2-CG1 4.39Å; I297-D316 HydrophobicContact CD1-CB 4.34Å; I297-D316 HydrophobicContact CG2-CB 4.03Å; I297-V320 HydrophobicContact CD1-CG2 3.65Å; I297-V320 HydrophobicContact CG2-CG2 4.09Å; I297-M323 HydrophobicContact CD1-CE 3.61Å
298	S	92.2	Very high	94	Very high	20 Å²	20	21.9 Å²	21.9	14%	0.14	13%	0.128	C	C	.	.			trans	-61.5	144.1	174.6	-60.3	0	0	0	0	111.5	A93 V94 P313	A93-S298 WeakPolarHBondContact CA-OG 3.4Å; V94-S298 PolarHBondContact N-OG 3.31Å; V94-S298 VanDerWaalsContact O-CA 3.31Å; V94-S298 WeakPolarHBondContact O-CA 3.18Å; S298-P313 WeakPolarHBondContact O-CD 3.44Å
299	A	93.8	Very high	94.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-151.8	133.7	174.6	0	0	0	0	0	113	V94 G95 V96 T97 L292 L311 V312	V94-A299 PolarHBondContact O-N 2.77Å; G95-A299 CarbonylContact C-O 3.45Å; G95-A299 VanDerWaalsContact CA-O 3.32Å; G95-A299 WeakPolarHBondContact CA-O 3.39Å; V96-A299 HydrophobicContact CG1-CB 4Å; V96-A299 WeakPolarHBondContact CG1-O 3.44Å; V96-A299 PolarHBondContact N-O 3.09Å; T97-A299 PolarHBondContact OG1-N 2.8Å; L292-A299 HydrophobicContact CD1-CB 3.86Å; A299-L311 CarbonylContact C-O 3.52Å; A299-L311 VanDerWaalsContact CA-O 3.23Å; A299-L311 WeakPolarHBondContact CA-O 3.44Å; A299-V312 HydrophobicContact CB-CG1 4.11Å
300	Y	95.8	Very high	94.5	Very high	23 Å²	23	21.8 Å²	21.8	9%	0.09	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.4	158.8	-60.5	-74.8	0	0	0	109.4	V189 W267 A310 L311	V189-Y300 HydrophobicContact CB-CE2 4.09Å; V189-Y300 HydrophobicContact CG1-CE2 4.21Å; V189-Y300 HydrophobicContact CG2-CD2 3.75Å; V189-Y300 HydrophobicContact CG2-CE2 3.77Å; W267-Y300 HydrophobicContact CD2-CD2 4.02Å; W267-Y300 HydrophobicContact CD2-CE2 4.09Å; W267-Y300 AromaticContact CE2-CE2 3.62Å; W267-Y300 AromaticContact CE3-CD2 3.87Å; W267-Y300 HydrophobicContact CE3-CD2 3.87Å; W267-Y300 HydrophobicContact CE3-CE2 4.22Å; W267-Y300 AromaticContact CH2-CD2 3.86Å; W267-Y300 HydrophobicContact CH2-CD2 3.86Å; W267-Y300 AromaticContact CH2-CE2 3.52Å; W267-Y300 HydrophobicContact CH2-CE2 3.52Å; W267-Y300 HydrophobicContact CZ2-CD2 4.01Å; W267-Y300 AromaticContact CZ2-CE2 3.35Å; W267-Y300 HydrophobicContact CZ2-CE2 3.35Å; W267-Y300 AromaticContact CZ3-CD2 3.78Å; W267-Y300 HydrophobicContact CZ3-CD2 3.78Å; W267-Y300 AromaticContact CZ3-CE2 3.95Å; W267-Y300 HydrophobicContact CZ3-CE2 3.95Å; Y300-A310 CarbonylContact O-C 3.55Å; Y300-A310 WeakPolarHBondContact O-CA 3.42Å; Y300-L311 PolarHBondContact N-O 2.74Å; Y300-L311 PolarHBondContact O-N 3.31Å
301	Y	97.8	Very high	94.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.1	-178.2	-153.1	-70.6	0	0	0	111.1	V96 M116 S118 I272 V285 I288 D308 H309 A310	V96-Y301 HydrophobicContact CG1-CD2 4.27Å; M116-Y301 HydrophobicContact CB-CD1 3.56Å; M116-Y301 HydrophobicContact CB-CE1 4.33Å; M116-Y301 HydrophobicContact CB-CG 4.19Å; M116-Y301 HydrophobicContact CG-CD1 3.94Å; M116-Y301 HydrophobicContact CG-CE1 4.46Å; M116-Y301 HydrophobicContact CG-CG 4.38Å; S118-Y301 VanDerWaalsContact CB-N 3.31Å; S118-Y301 WeakPolarHBondContact CB-O 3.4Å; S118-Y301 PolarHBondContact N-O 3.11Å; S118-Y301 PolarHBondContact OG-N 2.99Å; S118-Y301 PolarHBondContact OG-O 2.74Å; I272-Y301 HydrophobicContact CD1-CE2 4.26Å; V285-Y301 HydrophobicContact CG1-CD1 4.49Å; V285-Y301 HydrophobicContact CG1-CD2 4.26Å; V285-Y301 HydrophobicContact CG1-CE1 4.32Å; V285-Y301 HydrophobicContact CG1-CE2 4.12Å; V285-Y301 HydrophobicContact CG1-CG 4.42Å; V285-Y301 HydrophobicContact CG2-CE1 3.87Å; I288-Y301 HydrophobicContact CB-CE2 4.01Å; I288-Y301 HydrophobicContact CG2-CE2 3.98Å; Y301-D308 HydrophobicContact CE1-CB 3.54Å; Y301-D308 VanDerWaalsContact OH-CB 3.28Å; Y301-D308 WeakPolarHBondContact OH-CB 3.29Å; Y301-D308 PolarHBondContact OH-OD2 3.42Å; Y301-H309 CarbonylContact C-O 3.57Å; Y301-H309 WeakPolarHBondContact CA-O 3.34Å; Y301-A310 HydrophobicContact CD2-CB 3.97Å; Y301-A310 HydrophobicContact CE2-CB 4.16Å
302	I	98.4	Very high	94.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.3	179.9	-58.9	174.9	0	0	0	108.8	T45 L117 F231 V244 H309	T45-I302 HydrophobicContact CG2-CG2 4.4Å; L117-I302 HydrophobicContact CD1-CG2 4.31Å; F231-I302 HydrophobicContact CE1-CD1 4.33Å; F231-I302 HydrophobicContact CZ-CB 4.31Å; F231-I302 HydrophobicContact CZ-CD1 4.13Å; F231-I302 HydrophobicContact CZ-CG2 4.19Å; V244-I302 HydrophobicContact CG2-CD1 3.94Å; I302-H309 PolarHBondContact N-O 2.9Å; I302-H309 PolarHBondContact O-N 2.87Å; I302-H309 PolarHBondContact O-ND1 3.38Å
303	S	98.3	Very high	95	Very high	3 Å²	3	18 Å²	18	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.8	166	-65.2	0	0	0	0	109.9	F115 M116 D308	F115-S303 WeakPolarHBondContact CE1-O 3.13Å; F115-S303 WeakPolarHBondContact CZ-O 3.31Å; M116-S303 PolarHBondContact N-OG 3.29Å; M116-S303 WeakPolarHBondContact O-CB 3.27Å; M116-S303 PolarHBondContact O-N 2.7Å; S303-D308 WeakPolarHBondContact CA-OD1 3.21Å; S303-D308 WeakPolarHBondContact CB-OD1 2.92Å; S303-D308 PolarHBondContact OG-OD1 2.96Å
304	T	98.3	Very high	95.1	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.031	12%	0.117	C	C	.	.			trans	-121.6	176.7	171.2	68.4	0	0	0	0	108.7	T45 T47 T52 F231 S306 F307 H309	T45-T304 HydrophobicContact CG2-CG2 3.78Å; T47-T304 HydrophobicContact CG2-CG2 3.74Å; T52-T304 WeakPolarHBondContact OG1-CB 3.09Å; F231-T304 HydrophobicContact CE2-CG2 4.44Å; T304-S306 PolarHBondContact O-N 3.46Å; T304-F307 WeakPolarHBondContact CB-O 3.3Å; T304-F307 PolarHBondContact N-O 2.85Å; T304-F307 PolarHBondContact OG1-N 3.49Å; T304-F307 VanDerWaalsContact OG1-N 3.11Å; T304-F307 PolarHBondContact OG1-O 3.42Å; T304-H309 VanDerWaalsContact CG2-CE1 3.46Å; T304-H309 WeakPolarHBondContact CG2-CE1 3.28Å; T304-H309 PolarHBondContact OG1-CE1 3.23Å
305	F	96.9	Very high	95.2	Very high	25 Å²	25	21.4 Å²	21.4	11%	0.11	12%	0.118	C	C	.	.	S	Bend	trans	-59.8	-22.5	-178.3	-162.7	-88.6	0	0	0	113.6	V12 T52 Q70 E72 F279	V12-F305 HydrophobicContact CG1-CD2 4.16Å; T52-F305 HydrophobicContact CG2-CB 4.16Å; T52-F305 WeakPolarHBondContact OG1-CB 3.33Å; T52-F305 PolarHBondContact OG1-N 3.43Å; Q70-F305 HydrophobicContact CB-CE1 4.07Å; Q70-F305 HydrophobicContact CB-CE2 4.36Å; Q70-F305 HydrophobicContact CB-CZ 3.75Å; Q70-F305 VanDerWaalsContact OE1-CE1 3.22Å; E72-F305 HydrophobicContact CB-CE2 4.37Å; F279-F305 HydrophobicContact CE2-CD1 4.43Å; F279-F305 HydrophobicContact CE2-CD2 4.14Å; F279-F305 HydrophobicContact CE2-CE1 4.16Å; F279-F305 AromaticContact CE2-CE2 3.86Å; F279-F305 HydrophobicContact CE2-CE2 3.86Å; F279-F305 HydrophobicContact CE2-CG 4.4Å; F279-F305 AromaticContact CE2-CZ 3.86Å; F279-F305 HydrophobicContact CE2-CZ 3.86Å; F279-F305 HydrophobicContact CZ-CD1 4.4Å; F279-F305 AromaticContact CZ-CD2 3.6Å; F279-F305 HydrophobicContact CZ-CD2 3.6Å; F279-F305 AromaticContact CZ-CE2 3.73Å; F279-F305 HydrophobicContact CZ-CE2 3.73Å; F279-F305 AromaticContact CZ-CG 3.94Å; F279-F305 HydrophobicContact CZ-CG 3.94Å; F279-F305 HydrophobicContact CZ-CZ 4.18Å
306	S	95.5	Very high	95.4	Very high	16 Å²	16	21.8 Å²	21.8	11%	0.112	11%	0.11	C	C	.	.	S	Bend	trans	-123.6	-31.4	-175.7	-56.7	0	0	0	0	113.9	P276 L277 T304	P276-S306 CarbonylContact C-O 3.55Å; P276-S306 VanDerWaalsContact CA-O 3.28Å; P276-S306 WeakPolarHBondContact CA-O 3.3Å; L277-S306 PolarHBondContact N-O 2.8Å; T304-S306 PolarHBondContact O-N 3.46Å
307	F	97.2	Very high	95.6	Very high	18 Å²	18	19.3 Å²	19.3	8%	0.079	10%	0.097	C	C	.	.			trans	-140.4	157.8	-171.6	-58.6	-80.2	0	0	0	111.4	E49 R271 G273 Q275 T304 H309	E49-F307 HydrophobicContact CG-CE2 4.19Å; R271-F307 HydrophobicContact CG-CB 4.47Å; R271-F307 VanDerWaalsContact NH2-CZ 3.35Å; G273-F307 WeakPolarHBondContact O-CD1 3.42Å; G273-F307 WeakPolarHBondContact O-CE1 2.87Å; Q275-F307 WeakPolarHBondContact O-CE1 3.11Å; T304-F307 WeakPolarHBondContact CB-O 3.3Å; T304-F307 PolarHBondContact N-O 2.85Å; T304-F307 PolarHBondContact OG1-N 3.49Å; T304-F307 VanDerWaalsContact OG1-N 3.11Å; T304-F307 PolarHBondContact OG1-O 3.42Å; F307-H309 PolarHBondContact O-CE1 3.46Å; F307-H309 PolarHBondContact O-ND1 3.37Å
308	D	97.4	Very high	95.6	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.064	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151	173.4	-78.3	-13.8	0	0	0	110.6	I272 L277 I284 Y301 S303	I272-D308 HydrophobicContact CB-CB 4.08Å; I272-D308 HydrophobicContact CD1-CB 4.15Å; I272-D308 PolarHBondContact N-O 3.39Å; I272-D308 PolarHBondContact O-N 2.93Å; L277-D308 HydrophobicContact CD1-CB 3.96Å; I284-D308 WeakPolarHBondContact CG2-OD2 3.3Å; Y301-D308 HydrophobicContact CE1-CB 3.54Å; Y301-D308 VanDerWaalsContact OH-CB 3.28Å; Y301-D308 WeakPolarHBondContact OH-CB 3.29Å; Y301-D308 PolarHBondContact OH-OD2 3.42Å; S303-D308 WeakPolarHBondContact CA-OD1 3.21Å; S303-D308 WeakPolarHBondContact CB-OD1 2.92Å; S303-D308 PolarHBondContact OG-OD1 2.96Å
309	H	97.8	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	115.2	-176.9	-50.6	80.2	0	0	0	109.2	F231 M269 V270 Y301 I302 T304 F307	F231-H309 HydrophobicContact CE2-CB 4.18Å; F231-H309 AromaticContact CE2-CD2 3.82Å; F231-H309 AromaticContact CE2-CE1 4Å; F231-H309 AromaticContact CE2-CG 3.65Å; F231-H309 AromaticContact CE2-ND1 3.77Å; F231-H309 HydrophobicContact CZ-CB 4.45Å; M269-H309 HydrophobicContact CE-CB 4.21Å; M269-H309 HydrophobicContact CG-CB 4.39Å; M269-H309 HydrophobicContact SD-CB 4.32Å; M269-H309 VanDerWaalsContact SD-CD2 3.6Å; V270-H309 WeakPolarHBondContact O-CA 3.25Å; Y301-H309 CarbonylContact C-O 3.57Å; Y301-H309 WeakPolarHBondContact CA-O 3.34Å; I302-H309 PolarHBondContact N-O 2.9Å; I302-H309 PolarHBondContact O-N 2.87Å; I302-H309 PolarHBondContact O-ND1 3.38Å; T304-H309 VanDerWaalsContact CG2-CE1 3.46Å; T304-H309 WeakPolarHBondContact CG2-CE1 3.28Å; T304-H309 PolarHBondContact OG1-CE1 3.23Å; F307-H309 PolarHBondContact O-CE1 3.46Å; F307-H309 PolarHBondContact O-ND1 3.37Å
310	A	97.4	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.4	169	0	0	0	0	0	109.3	M269 V270 I272 I288 Y300 Y301	M269-A310 CarbonylContact C-O 3.54Å; M269-A310 WeakPolarHBondContact CA-O 3.47Å; V270-A310 HydrophobicContact CB-CB 4.41Å; V270-A310 PolarHBondContact N-O 2.96Å; V270-A310 PolarHBondContact O-N 3.42Å; I272-A310 HydrophobicContact CD1-CB 4.18Å; I288-A310 HydrophobicContact CG2-CB 4.07Å; Y300-A310 CarbonylContact O-C 3.55Å; Y300-A310 WeakPolarHBondContact O-CA 3.42Å; Y301-A310 HydrophobicContact CD2-CB 3.97Å; Y301-A310 HydrophobicContact CE2-CB 4.16Å
311	L	96.9	Very high	95.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.8	171.7	-62.8	170.9	0	0	0	107.5	F187 V189 V244 W267 R268 M269 A299 Y300	F187-L311 HydrophobicContact CB-CD2 4.18Å; F187-L311 HydrophobicContact CD2-CD2 3.89Å; F187-L311 HydrophobicContact CG-CD2 4.11Å; V189-L311 HydrophobicContact CG2-CD1 4.16Å; V244-L311 HydrophobicContact CG1-CD1 3.67Å; W267-L311 HydrophobicContact CB-CB 4.11Å; W267-L311 HydrophobicContact CE3-CB 4.19Å; R268-L311 WeakPolarHBondContact O-CA 3.47Å; M269-L311 HydrophobicContact CB-CD2 3.85Å; M269-L311 HydrophobicContact CE-CD2 3.86Å; M269-L311 HydrophobicContact CG-CD2 4.29Å; A299-L311 CarbonylContact C-O 3.52Å; A299-L311 VanDerWaalsContact CA-O 3.23Å; A299-L311 WeakPolarHBondContact CA-O 3.44Å; Y300-L311 PolarHBondContact N-O 2.74Å; Y300-L311 PolarHBondContact O-N 3.31Å
312	V	95.6	Very high	94.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.8	178.8	-63.5	0	0	0	0	110	W267 R268 L292 I297 A299 E314 I317 V320	W267-V312 CarbonylContact C-O 3.52Å; W267-V312 VanDerWaalsContact CA-O 3.31Å; W267-V312 WeakPolarHBondContact CA-O 3.36Å; W267-V312 VanDerWaalsContact CE3-C 3.43Å; R268-V312 PolarHBondContact N-O 3.24Å; R268-V312 PolarHBondContact O-N 2.72Å; L292-V312 HydrophobicContact CD1-CG1 4.1Å; L292-V312 HydrophobicContact CD2-CG1 4.22Å; I297-V312 HydrophobicContact CG2-CB 4.38Å; I297-V312 HydrophobicContact CG2-CG1 4.39Å; A299-V312 HydrophobicContact CB-CG1 4.11Å; V312-E314 PolarHBondContact O-N 3.04Å; V312-I317 HydrophobicContact CG2-CD1 3.83Å; V312-V320 HydrophobicContact CB-CG2 4.31Å; V312-V320 HydrophobicContact CG1-CG2 4.25Å; V312-V320 HydrophobicContact CG2-CB 4.46Å; V312-V320 HydrophobicContact CG2-CG1 4.4Å; V312-V320 HydrophobicContact CG2-CG2 4.14Å
313	P	94.1	Very high	94.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	140.3	174.6	-25.8	34.1	0	0	0	111.5	W267 S298 E315 D316 I317	W267-P313 HydrophobicContact CH2-CG 4.35Å; W267-P313 HydrophobicContact CZ3-CG 4.06Å; S298-P313 WeakPolarHBondContact O-CD 3.44Å; P313-E315 VanDerWaalsContact CB-CD 3.45Å; P313-E315 HydrophobicContact CB-CG 4.02Å; P313-E315 WeakPolarHBondContact CB-OE2 3.09Å; P313-E315 PolarHBondContact O-N 3.32Å; P313-D316 HydrophobicContact CB-CB 4.46Å; P313-D316 PolarHBondContact O-N 2.97Å; P313-D316 VanDerWaalsContact O-N 3.11Å; P313-I317 PolarHBondContact O-N 3.07Å
314	E	93.3	Very high	93.9	Very high	62 Å²	62	32.8 Å²	32.8	29%	0.29	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-59.7	-37.5	-178	175.6	171.7	-154.9	0	0	112.5	Q186 L266 R268 V312 D316 I317	Q186-E314 VanDerWaalsContact NE2-CD 3.31Å; Q186-E314 PolarHBondContact NE2-OE1 3.1Å; Q186-E314 PolarHBondContact NE2-OE2 3.41Å; Q186-E314 VanDerWaalsContact NE2-OE2 3.12Å; L266-E314 HydrophobicContact CB-CB 4.37Å; L266-E314 WeakPolarHBondContact O-CB 3.42Å; L266-E314 PolarHBondContact O-N 3.39Å; R268-E314 HydrophobicContact CG-CB 3.92Å; R268-E314 HydrophobicContact CG-CG 3.9Å; V312-E314 PolarHBondContact O-N 3.04Å; E314-D316 PolarHBondContact O-N 3.26Å; E314-I317 WeakPolarHBondContact O-CG2 3.28Å; E314-I317 PolarHBondContact O-N 2.96Å
315	E	92.5	Very high	93.1	Very high	139 Å²	139	35.8 Å²	35.8	65%	0.65	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-60.9	-28.6	177.5	58.3	-93.4	-137.4	0	0	113.4	P313	P313-E315 VanDerWaalsContact CB-CD 3.45Å; P313-E315 HydrophobicContact CB-CG 4.02Å; P313-E315 WeakPolarHBondContact CB-OE2 3.09Å; P313-E315 PolarHBondContact O-N 3.32Å
316	D	92.9	Very high	92.3	Very high	52 Å²	52	40.7 Å²	40.7	28%	0.278	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-94.5	-7.1	-174.7	-69.3	-36.5	0	0	0	113	I297 P313 E314 V318 S319 V320	I297-D316 HydrophobicContact CD1-CB 4.34Å; I297-D316 HydrophobicContact CG2-CB 4.03Å; P313-D316 HydrophobicContact CB-CB 4.46Å; P313-D316 PolarHBondContact O-N 2.97Å; P313-D316 VanDerWaalsContact O-N 3.11Å; E314-D316 PolarHBondContact O-N 3.26Å; D316-V318 PolarHBondContact O-N 3.33Å; D316-V318 VanDerWaalsContact O-N 3.11Å; D316-S319 WeakPolarHBondContact O-CB 3.41Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-V320 HydrophobicContact CB-CG2 4.41Å; D316-V320 WeakPolarHBondContact O-CG2 3.24Å; D316-V320 PolarHBondContact O-N 3.49Å
317	I	93.1	Very high	91.3	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-34.9	-170.7	-167.2	54.4	0	0	0	113.5	I182 R268 V270 V312 P313 E314 T321	I182-I317 HydrophobicContact CD1-CD1 4.39Å; I182-I317 HydrophobicContact CG2-CD1 3.79Å; I182-I317 HydrophobicContact CG2-CG1 4.02Å; R268-I317 HydrophobicContact CB-CB 4.01Å; R268-I317 HydrophobicContact CB-CD1 3.67Å; R268-I317 HydrophobicContact CB-CG1 3.73Å; R268-I317 HydrophobicContact CG-CB 4.08Å; R268-I317 HydrophobicContact CG-CG1 4.11Å; R268-I317 HydrophobicContact CG-CG2 4.37Å; V270-I317 HydrophobicContact CG2-CD1 4.2Å; V312-I317 HydrophobicContact CG2-CD1 3.83Å; P313-I317 PolarHBondContact O-N 3.07Å; E314-I317 WeakPolarHBondContact O-CG2 3.28Å; E314-I317 PolarHBondContact O-N 2.96Å; I317-T321 WeakPolarHBondContact O-CB 3.33Å; I317-T321 PolarHBondContact O-N 3.28Å; I317-T321 PolarHBondContact O-OG1 2.84Å
318	V	92.1	Very high	90	Very high	99 Å²	99	48.1 Å²	48.1	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-66.8	-47	178.4	-180	0	0	0	0	110	D316 V320 T321 D322	D316-V318 PolarHBondContact O-N 3.33Å; D316-V318 VanDerWaalsContact O-N 3.11Å; V318-V320 PolarHBondContact O-N 2.97Å; V318-T321 PolarHBondContact O-N 3.39Å; V318-D322 PolarHBondContact O-N 2.76Å
319	S	92.5	Very high	88.2	Confident	66 Å²	66	53.4 Å²	53.4	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.4	-169.6	0	0	0	0	111.4	D316 T321 D322 M323	D316-S319 WeakPolarHBondContact O-CB 3.41Å; D316-S319 PolarHBondContact O-N 3.44Å; S319-T321 PolarHBondContact O-N 3.31Å; S319-D322 PolarHBondContact O-N 2.9Å; S319-M323 WeakPolarHBondContact O-CB 3.34Å; S319-M323 PolarHBondContact O-N 3.26Å
320	V	93	Very high	86.1	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-42.9	175.4	174.4	0	0	0	0	111.7	V270 L292 I297 V312 D316 V318 M323 L324	V270-V320 HydrophobicContact CG2-CG1 4.01Å; L292-V320 HydrophobicContact CD2-CB 4.41Å; L292-V320 HydrophobicContact CD2-CG1 4.01Å; L292-V320 HydrophobicContact CD2-CG2 3.62Å; I297-V320 HydrophobicContact CD1-CG2 3.65Å; I297-V320 HydrophobicContact CG2-CG2 4.09Å; V312-V320 HydrophobicContact CB-CG2 4.31Å; V312-V320 HydrophobicContact CG1-CG2 4.25Å; V312-V320 HydrophobicContact CG2-CB 4.46Å; V312-V320 HydrophobicContact CG2-CG1 4.4Å; V312-V320 HydrophobicContact CG2-CG2 4.14Å; D316-V320 HydrophobicContact CB-CG2 4.41Å; D316-V320 WeakPolarHBondContact O-CG2 3.24Å; D316-V320 PolarHBondContact O-N 3.49Å; V318-V320 PolarHBondContact O-N 2.97Å; V320-M323 PolarHBondContact O-N 3.43Å; V320-L324 HydrophobicContact CG1-CD1 3.73Å; V320-L324 HydrophobicContact CG1-CG 4.24Å; V320-L324 WeakPolarHBondContact O-CB 3.27Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.32Å
321	T	90	Very high	83.5	Confident	33 Å²	33	65.3 Å²	65.3	20%	0.202	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-48.7	178.3	-58.4	0	0	0	0	111.1	I182 I317 V318 S319 L324 H325	I182-T321 HydrophobicContact CD1-CG2 3.93Å; I182-T321 WeakPolarHBondContact CD1-OG1 3.37Å; I317-T321 WeakPolarHBondContact O-CB 3.33Å; I317-T321 PolarHBondContact O-N 3.28Å; I317-T321 PolarHBondContact O-OG1 2.84Å; V318-T321 PolarHBondContact O-N 3.39Å; S319-T321 PolarHBondContact O-N 3.31Å; T321-L324 PolarHBondContact O-N 3.37Å; T321-H325 WeakPolarHBondContact O-CB 3.44Å; T321-H325 PolarHBondContact O-CD2 2.83Å; T321-H325 VanDerWaalsContact O-CD2 3.23Å; T321-H325 PolarHBondContact O-N 2.73Å
322	D	90	Very high	80.9	Confident	87 Å²	87	71.1 Å²	71.1	47%	0.465	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-46.5	178.2	-72.4	-21.5	0	0	0	110.6	V318 S319 L324 H325 H326	V318-D322 PolarHBondContact O-N 2.76Å; S319-D322 PolarHBondContact O-N 2.9Å; D322-L324 PolarHBondContact O-N 2.96Å; D322-H325 PolarHBondContact O-N 3.08Å; D322-H326 PolarHBondContact O-N 3.11Å; D322-H326 PolarHBondContact O-ND1 2.75Å
323	M	89.3	Confident	77.9	Confident	38 Å²	38	77.1 Å²	77.1	19%	0.187	41%	0.413	C	S	.	.	H	α-helix	trans	-56.5	-52.3	178.6	-173.4	-165.4	-39.3	0	0	112.1	P291 L292 I297 S319 V320 H325 H326 Q327	P291-M323 HydrophobicContact CB-CG 4.1Å; P291-M323 HydrophobicContact CB-SD 3.35Å; P291-M323 WeakPolarHBondContact CB-SD 3.26Å; L292-M323 HydrophobicContact CD2-CE 4.31Å; I297-M323 HydrophobicContact CD1-CE 3.61Å; S319-M323 WeakPolarHBondContact O-CB 3.34Å; S319-M323 PolarHBondContact O-N 3.26Å; V320-M323 PolarHBondContact O-N 3.43Å; M323-H325 VanDerWaalsContact C-N 3.3Å; M323-H325 PolarHBondContact O-N 2.86Å; M323-H326 PolarHBondContact O-N 3.43Å; M323-Q327 WeakPolarHBondContact O-CG 3.14Å; M323-Q327 PolarHBondContact O-N 3.12Å; M323-Q327 VanDerWaalsContact O-N 3.15Å
324	L	85.4	Confident	74.9	Confident	14 Å²	14	86.7 Å²	86.7	7%	0.073	47%	0.471	C	S	.	.	H	α-helix	trans	-67.3	-30.7	-178.7	-66.2	175.2	0	0	0	112.2	V270 I288 V320 T321 D322 R328	V270-L324 HydrophobicContact CG1-CD1 3.71Å; V270-L324 HydrophobicContact CG2-CD1 4.33Å; I288-L324 HydrophobicContact CD1-CD2 3.81Å; V320-L324 HydrophobicContact CG1-CD1 3.73Å; V320-L324 HydrophobicContact CG1-CG 4.24Å; V320-L324 WeakPolarHBondContact O-CB 3.27Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.32Å; T321-L324 PolarHBondContact O-N 3.37Å; D322-L324 PolarHBondContact O-N 2.96Å; L324-R328 PolarHBondContact O-N 3.21Å
325	H	82.7	Confident	74	Confident	68 Å²	68	87.9 Å²	87.9	32%	0.315	48%	0.48	S	S	.	.	H	α-helix	trans	-71.9	-38.1	172.9	-77.8	-38	0	0	0	113.1	T321 D322 M323 R328 N329	T321-H325 WeakPolarHBondContact O-CB 3.44Å; T321-H325 PolarHBondContact O-CD2 2.83Å; T321-H325 VanDerWaalsContact O-CD2 3.23Å; T321-H325 PolarHBondContact O-N 2.73Å; D322-H325 PolarHBondContact O-N 3.08Å; M323-H325 VanDerWaalsContact C-N 3.3Å; M323-H325 PolarHBondContact O-N 2.86Å; H325-R328 PolarHBondContact O-N 2.6Å; H325-N329 PolarHBondContact O-N 2.99Å; H325-N329 PolarHBondContact O-ND2 3.01Å
326	H	80.1	Confident	73.1	Confident	127 Å²	127	85.2 Å²	85.2	59%	0.588	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-44.2	176	-79.4	81.1	0	0	0	111.3	D322 M323 R328 N329 E330	D322-H326 PolarHBondContact O-N 3.11Å; D322-H326 PolarHBondContact O-ND1 2.75Å; M323-H326 PolarHBondContact O-N 3.43Å; H326-R328 PolarHBondContact O-N 3.31Å; H326-R328 VanDerWaalsContact O-N 3.17Å; H326-N329 PolarHBondContact O-N 3.33Å; H326-E330 PolarHBondContact O-N 2.7Å
327	Q	73.6	Confident	71.9	Confident	67 Å²	67	87.1 Å²	87.1	31%	0.313	48%	0.482	S	S	.	.	H	α-helix	trans	-58.9	-29.8	176.9	-69.7	-161.3	-43.6	0	0	114.1	Q287 P291 M323	Q287-Q327 PolarHBondContact O-OE1 3.17Å; P291-Q327 VanDerWaalsContact CG-CD 3.49Å; M323-Q327 WeakPolarHBondContact O-CG 3.14Å; M323-Q327 PolarHBondContact O-N 3.12Å; M323-Q327 VanDerWaalsContact O-N 3.15Å
328	R	69.6	Low	70.7	Confident	124 Å²	124	91.4 Å²	91.4	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-77.7	-24.3	176.6	-166.7	174.2	71.2	-170.1	1.4	112.8	V177 L324 H325 H326	V177-R328 HydrophobicContact CG1-CB 4.21Å; V177-R328 HydrophobicContact CG1-CG 3.91Å; L324-R328 PolarHBondContact O-N 3.21Å; H325-R328 PolarHBondContact O-N 2.6Å; H326-R328 PolarHBondContact O-N 3.31Å; H326-R328 VanDerWaalsContact O-N 3.17Å
329	N	60.8	Low	69.4	Low	122 Å²	122	90.9 Å²	90.9	65%	0.652	50%	0.5	S	S	*	.	H	α-helix	trans	-94.8	-16.2	-177.7	-66.7	-20.5	0	0	0	112.8	H325 H326 P331	H325-N329 PolarHBondContact O-N 2.99Å; H325-N329 PolarHBondContact O-ND2 3.01Å; H326-N329 PolarHBondContact O-N 3.33Å; N329-P331 WeakPolarHBondContact O-CD 3.37Å
330	E	53.5	Low	67.8	Low	146 Å²	146	92.5 Å²	92.5	68%	0.682	50%	0.502	S	S	*	.	S	Bend	trans	-71.4	121.5	169.7	-71.8	-158.9	146.3	0	0	109.8	H326 S332	H326-E330 PolarHBondContact O-N 2.7Å; E330-S332 PolarHBondContact O-N 3.49Å
331	P	41.8	Very low	66	Low	107 Å²	107	99.1 Å²	99.1	70%	0.695	54%	0.538	S	S	*	.			trans	-63.2	130.3	172	26	-30.4	0	0	0	107.9	N329 T333	N329-P331 WeakPolarHBondContact O-CD 3.37Å; P331-T333 PolarHBondContact O-N 3.34Å
332	S	42.9	Very low	64.2	Low	122 Å²	122	104.2 Å²	104.2	85%	0.853	56%	0.564	S	S	*	*			trans	-49.5	100.5	172.4	31.8	0	0	0	0	109.7	E330 T334	E330-S332 PolarHBondContact O-N 3.49Å; S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 2.81Å
333	T	32.4	Very low	62	Low	127 Å²	127	105.6 Å²	105.6	78%	0.779	57%	0.572	S	S	*	*			trans	-72.9	91.4	175.1	12.5	0	0	0	0	108.1	P331	P331-T333 PolarHBondContact O-N 3.34Å
334	T	32.3	Very low	59.6	Low	205 Å²	205	111.7 Å²	111.7	100%	1.258	61%	0.607	S	S	*	*			trans	46.1	0	153.2	52.3	0	0	0	0	119.4	S332	S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 2.81Å

Retrieved 334 of 334 residues in 210 ms (Link to these results)

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