A0A087YE92_POEFO Loading...

tRNA-queuosine alpha-mannosyltransferase

Glycosyltransferase that specifically catalyzes mannosylation of cytoplasmic tRNA(Asp) modified with queuosine at position 34 (queuosine(34)). Mannosylates the cyclopentene moiety of queuosine(34) in tRNA(Asp) to form mannosyl-queuosine(34). Mannosylation of queuosine(34) in tRNA(Asp) is required to slow-down elongation at cognate codons, GAC and GAU, thereby regulating protein translation.

AlphaFold DB , UniProt , Accession A0A087YE92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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	32.8	Very low	51.4	Low	246 Å²	246	124.8 Å²	124.8	100%	1.212	74%	0.743	S	S	*	*				0	111.4	0	-138.7	170.3	176.9	0	0	106.3
2	Q	32.3	Very low	55.2	Low	191 Å²	191	114.8 Å²	114.8	89%	0.893	68%	0.683	S	S	*	*			trans	44.1	95.9	175	-83.6	166.6	-7.5	0	0	120
3	Q	35.8	Very low	58.5	Low	173 Å²	173	105.9 Å²	105.9	81%	0.808	63%	0.63	S	S	*	*			trans	-57.9	136.4	141.7	-76.4	169.1	-30.8	0	0	110.1
4	S	31.6	Very low	61.4	Low	122 Å²	122	98.4 Å²	98.4	85%	0.853	59%	0.585	S	S	*	*			trans	-130.7	81.5	150.1	60.8	0	0	0	0	107.3
5	E	42	Very low	63.9	Low	165 Å²	165	91.8 Å²	91.8	77%	0.771	55%	0.546	S	S	*	.			trans	-79.3	115.9	161.6	-80	-177.1	155.8	0	0	108.3
6	V	45.1	Very low	66	Low	156 Å²	156	86.1 Å²	86.1	95%	0.945	51%	0.513	S	S	*	.			trans	-150.7	117.4	136.8	-172.6	0	0	0	0	107.4
7	G	44	Very low	67.9	Low	73 Å²	73	81.1 Å²	81.1	75%	0.753	48%	0.482	S	S	*	.			trans	167.3	87.2	171.8	0	0	0	0	0	111
8	G	59.1	Low	69.5	Low	69 Å²	69	79.3 Å²	79.3	71%	0.711	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-59.3	157.6	177.5	0	0	0	0	0	112.7
9	S	72.2	Confident	71	Confident	93 Å²	93	78.1 Å²	78.1	65%	0.65	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-55.2	144.4	173.3	-55.4	0	0	0	0	111.2	S11	S9-S11 PolarHBondContact O-N 3.31Å
10	P	78.3	Confident	72.2	Confident	38 Å²	38	74.9 Å²	74.9	25%	0.247	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-63.7	129.1	-171.9	26.9	-35.2	0	0	0	111.4	G36 S38 S67 Y68	P10-G36 CarbonylContact C-O 3.58Å; P10-G36 WeakPolarHBondContact CA-O 3.41Å; P10-G36 WeakPolarHBondContact CB-O 3.34Å; P10-S38 WeakPolarHBondContact CB-OG 3.46Å; P10-S67 CarbonylContact O-C 3.52Å; P10-S67 VanDerWaalsContact O-CB 3.28Å; P10-S67 WeakPolarHBondContact O-CB 3.5Å; P10-S67 PolarHBondContact O-OG 3.31Å; P10-Y68 HydrophobicContact CB-CE1 4.06Å; P10-Y68 HydrophobicContact CG-CE1 4.07Å
11	S	92.4	Very high	73.1	Confident	47 Å²	47	74 Å²	74	33%	0.329	45%	0.446	S	S	.	.			trans	-109.4	-23.1	-177.5	60.6	0	0	0	0	112.6	S9 G36 R69 V70	S9-S11 PolarHBondContact O-N 3.31Å; S11-G36 PolarHBondContact N-O 3.11Å; S11-R69 PolarHBondContact O-N 2.95Å; S11-V70 PolarHBondContact O-N 2.86Å; S11-V70 VanDerWaalsContact O-N 3.09Å
12	V	97.2	Very high	76.1	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.024	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.1	-178.5	-174.2	0	0	0	0	110.1	L14 I34 G36 C37 S38 V70 L394	V12-L14 HydrophobicContact CG1-CD2 3.65Å; V12-L14 HydrophobicContact CG1-CG 4.43Å; V12-I34 HydrophobicContact CG2-CG2 4.45Å; V12-G36 PolarHBondContact N-O 2.95Å; V12-G36 VanDerWaalsContact N-O 3.15Å; V12-C37 CarbonylContact O-C 3.48Å; V12-C37 WeakPolarHBondContact O-CA 3.33Å; V12-S38 PolarHBondContact O-N 2.96Å; V12-V70 HydrophobicContact CG1-CB 4.47Å; V12-V70 HydrophobicContact CG2-CB 4.43Å; V12-L394 HydrophobicContact CG1-CD2 4.21Å
13	L	98.3	Very high	79.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.4	175.3	174.4	63.4	0	0	0	109.3	V15 F40 I62 Y68 V70 L71 F72 L89	L13-V15 HydrophobicContact CD1-CG2 4.17Å; L13-V15 HydrophobicContact CD2-CG2 4.14Å; L13-V15 HydrophobicContact CG-CG2 3.77Å; L13-F40 HydrophobicContact CD1-CD2 3.5Å; L13-F40 VanDerWaalsContact CD1-CD2 3.5Å; L13-F40 HydrophobicContact CD1-CE2 3.76Å; L13-I62 HydrophobicContact CD1-CD1 4.49Å; L13-I62 HydrophobicContact CD1-CG2 4.14Å; L13-I62 HydrophobicContact CD2-CD1 4.27Å; L13-I62 HydrophobicContact CD2-CG2 3.95Å; L13-Y68 HydrophobicContact CB-CD1 4.26Å; L13-Y68 HydrophobicContact CB-CD2 4.33Å; L13-Y68 HydrophobicContact CB-CE1 4.34Å; L13-Y68 HydrophobicContact CB-CE2 4.42Å; L13-Y68 HydrophobicContact CB-CG 4.28Å; L13-Y68 HydrophobicContact CD1-CE2 4.07Å; L13-Y68 HydrophobicContact CD2-CD2 4.13Å; L13-Y68 HydrophobicContact CD2-CE2 4.11Å; L13-Y68 HydrophobicContact CG-CE2 4.43Å; L13-V70 PolarHBondContact N-O 3.36Å; L13-L71 HydrophobicContact CD2-CD1 4.15Å; L13-L71 HydrophobicContact CD2-CG 4.21Å; L13-L71 CarbonylContact O-C 3.47Å; L13-L71 WeakPolarHBondContact O-CA 3.19Å; L13-F72 PolarHBondContact O-N 3.13Å; L13-L89 HydrophobicContact CD2-CD1 4.42Å; L13-L89 HydrophobicContact CD2-CD2 3.77Å
14	L	98.6	Very high	82.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.1	175	-51.6	-175.2	0	0	0	109.7	V12 I27 L30 C37 S38 V39 F40 F72	V12-L14 HydrophobicContact CG1-CD2 3.65Å; V12-L14 HydrophobicContact CG1-CG 4.43Å; L14-I27 HydrophobicContact CB-CD1 4.28Å; L14-L30 HydrophobicContact CD1-CB 3.94Å; L14-C37 HydrophobicContact CD1-CB 4.12Å; L14-C37 HydrophobicContact CG-CB 4.34Å; L14-S38 PolarHBondContact N-O 3.12Å; L14-V39 HydrophobicContact CB-CG1 4.29Å; L14-V39 HydrophobicContact CB-CG2 4.16Å; L14-V39 HydrophobicContact CD1-CG2 3.95Å; L14-V39 HydrophobicContact CG-CG2 4.33Å; L14-V39 WeakPolarHBondContact O-CA 3.41Å; L14-F40 PolarHBondContact O-N 2.98Å; L14-F72 HydrophobicContact CD2-CB 3.66Å; L14-F72 HydrophobicContact CD2-CD1 4.02Å; L14-F72 HydrophobicContact CD2-CG 4.04Å
15	V	98.6	Very high	85.2	Confident	0 Å²	0	51 Å²	51	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.8	-179.4	-169.5	0	0	0	0	110.2	L13 F40 F58 I62 L71 F72 S73 L77	L13-V15 HydrophobicContact CD1-CG2 4.17Å; L13-V15 HydrophobicContact CD2-CG2 4.14Å; L13-V15 HydrophobicContact CG-CG2 3.77Å; V15-F40 WeakPolarHBondContact CA-O 3.36Å; V15-F58 HydrophobicContact CG1-CB 4.49Å; V15-F58 HydrophobicContact CG1-CD1 4.17Å; V15-F58 HydrophobicContact CG1-CD2 3.41Å; V15-F58 VanDerWaalsContact CG1-CD2 3.41Å; V15-F58 HydrophobicContact CG1-CE1 4.22Å; V15-F58 HydrophobicContact CG1-CE2 3.45Å; V15-F58 VanDerWaalsContact CG1-CE2 3.45Å; V15-F58 HydrophobicContact CG1-CG 3.79Å; V15-F58 HydrophobicContact CG1-CZ 3.87Å; V15-I62 HydrophobicContact CG1-CD1 4.27Å; V15-I62 HydrophobicContact CG2-CD1 3.75Å; V15-L71 HydrophobicContact CG2-CG 4.46Å; V15-F72 PolarHBondContact N-O 2.92Å; V15-S73 VanDerWaalsContact O-CA 3.24Å; V15-S73 WeakPolarHBondContact O-CA 3.45Å; V15-S73 VanDerWaalsContact O-CB 3.3Å; V15-S73 WeakPolarHBondContact O-CB 3.27Å; V15-L77 HydrophobicContact CB-CD2 4.15Å; V15-L77 HydrophobicContact CG1-CD2 3.73Å
16	E	98.4	Very high	87.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	108.3	-178.7	-179.9	52.4	-92.4	0	0	111.8	F18 Y19 H23 I27 F40 T41 L42 S74	E16-F18 VanDerWaalsContact C-N 3.26Å; E16-F18 PolarHBondContact O-N 3.08Å; E16-F18 PolarHBondContact OE1-N 3.33Å; E16-Y19 HydrophobicContact CG-CD2 4.35Å; E16-H23 HydrophobicContact CG-CB 4.26Å; E16-H23 IonicContact OE1-ND1 3.6Å; E16-H23 PolarHBondContact OE1-ND1 3.03Å; E16-H23 IonicContact OE2-CG 2.78Å; E16-H23 IonicContact OE2-ND1 3.42Å; E16-H23 PolarHBondContact OE2-ND1 3.34Å; E16-I27 HydrophobicContact CB-CD1 4Å; E16-I27 HydrophobicContact CB-CG1 3.8Å; E16-I27 HydrophobicContact CG-CG1 4.01Å; E16-F40 PolarHBondContact N-O 3.16Å; E16-T41 HydrophobicContact CB-CG2 4.19Å; E16-T41 CarbonylContact O-C 3.5Å; E16-T41 WeakPolarHBondContact O-CA 3.2Å; E16-L42 PolarHBondContact O-N 3.36Å; E16-S74 VanDerWaalsContact CD-OG 3.27Å; E16-S74 PolarHBondContact OE1-OG 3.41Å; E16-S74 WeakPolarHBondContact OE2-CB 3.46Å; E16-S74 PolarHBondContact OE2-OG 3.32Å; E16-S74 VanDerWaalsContact OE2-OG 3.06Å
17	A	97.6	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-18.6	178.8	0	0	0	0	0	113.2	L42 R50 A54 F58 V76 L77	A17-L42 WeakPolarHBondContact O-CB 3.43Å; A17-R50 HydrophobicContact CB-CB 4.3Å; A17-R50 VanDerWaalsContact O-CB 3.3Å; A17-R50 WeakPolarHBondContact O-CB 3.37Å; A17-R50 WeakPolarHBondContact O-CD 3.08Å; A17-R50 WeakPolarHBondContact O-CG 3.36Å; A17-A54 HydrophobicContact CB-CB 3.57Å; A17-F58 HydrophobicContact CB-CE2 4.33Å; A17-V76 HydrophobicContact CB-CB 4.46Å; A17-V76 HydrophobicContact CB-CG1 4.11Å; A17-L77 HydrophobicContact CB-CB 4.21Å; A17-L77 HydrophobicContact CB-CD1 4.35Å
18	F	97.2	Very high	92.9	Very high	49 Å²	49	33.8 Å²	33.8	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	76.9	-177.4	-170	-97.5	0	0	0	111.4	E16 G20 H23 A44 W47 R50 V76	E16-F18 VanDerWaalsContact C-N 3.26Å; E16-F18 PolarHBondContact O-N 3.08Å; E16-F18 PolarHBondContact OE1-N 3.33Å; F18-G20 PolarHBondContact O-N 3.1Å; F18-G20 VanDerWaalsContact O-N 3.08Å; F18-H23 WeakPolarHBondContact O-CB 3.27Å; F18-A44 HydrophobicContact CD1-CB 3.97Å; F18-A44 HydrophobicContact CD2-CB 3.95Å; F18-A44 HydrophobicContact CE1-CB 3.68Å; F18-A44 VanDerWaalsContact CE2-C 3.46Å; F18-A44 VanDerWaalsContact CE2-CA 3.43Å; F18-A44 HydrophobicContact CE2-CB 3.66Å; F18-A44 HydrophobicContact CG-CB 4.09Å; F18-A44 HydrophobicContact CZ-CB 3.52Å; F18-W47 HydrophobicContact CD2-CB 3.65Å; F18-W47 HydrophobicContact CE2-CB 3.51Å; F18-W47 HydrophobicContact CZ-CB 4.34Å; F18-R50 HydrophobicContact CD2-CG 4.4Å; F18-V76 HydrophobicContact CB-CB 4.45Å; F18-V76 HydrophobicContact CB-CG1 4.1Å; F18-V76 HydrophobicContact CB-CG2 4.28Å
19	Y	97.6	Very high	94.7	Very high	57 Å²	57	30.8 Å²	30.8	22%	0.224	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	87.6	-175.1	-175.4	-99.8	0	0	0	111.8	E16 K24 I27 D28 T41 L42 A44	E16-Y19 HydrophobicContact CG-CD2 4.35Å; Y19-K24 HydrophobicContact CD1-CB 4.3Å; Y19-K24 HydrophobicContact CD1-CD 4.11Å; Y19-K24 HydrophobicContact CD1-CG 4.23Å; Y19-K24 HydrophobicContact CD2-CB 4Å; Y19-K24 HydrophobicContact CD2-CG 4.26Å; Y19-K24 HydrophobicContact CE1-CB 4.29Å; Y19-K24 HydrophobicContact CE1-CD 3.58Å; Y19-K24 HydrophobicContact CE1-CG 3.74Å; Y19-K24 HydrophobicContact CE2-CB 3.97Å; Y19-K24 HydrophobicContact CE2-CG 3.75Å; Y19-K24 HydrophobicContact CG-CB 4.17Å; Y19-K24 HydrophobicContact CG-CG 4.49Å; Y19-K24 VanDerWaalsContact CZ-CG 3.48Å; Y19-K24 WeakPolarHBondContact OH-CE 3.47Å; Y19-I27 HydrophobicContact CD2-CB 4.28Å; Y19-I27 HydrophobicContact CD2-CG2 4.26Å; Y19-I27 HydrophobicContact CE2-CB 4.05Å; Y19-I27 HydrophobicContact CE2-CG2 3.9Å; Y19-D28 VanDerWaalsContact OH-CG 3.24Å; Y19-D28 PolarHBondContact OH-OD1 2.96Å; Y19-D28 PolarHBondContact OH-OD2 3.44Å; Y19-T41 HydrophobicContact CD2-CG2 3.6Å; Y19-T41 HydrophobicContact CE2-CG2 4.08Å; Y19-T41 HydrophobicContact CG-CG2 3.94Å; Y19-L42 WeakPolarHBondContact CB-O 3.46Å; Y19-L42 PolarHBondContact N-O 3.24Å; Y19-A44 WeakPolarHBondContact O-CB 3.47Å; Y19-A44 PolarHBondContact O-N 2.84Å
20	G	94.8	Very high	95.9	Very high	13 Å²	13	26.3 Å²	26.3	13%	0.134	15%	0.153	C	C	.	.	S	Bend	trans	-167.1	167.9	175.3	0	0	0	0	0	111.1	F18 S22 H23 K24 A44	F18-G20 PolarHBondContact O-N 3.1Å; F18-G20 VanDerWaalsContact O-N 3.08Å; G20-S22 PolarHBondContact O-N 3.37Å; G20-H23 WeakPolarHBondContact O-CB 3.48Å; G20-H23 PolarHBondContact O-N 3.06Å; G20-H23 VanDerWaalsContact O-N 3.12Å; G20-K24 PolarHBondContact O-N 2.94Å; G20-A44 VanDerWaalsContact CA-CB 3.5Å
21	G	92.1	Very high	96.8	Very high	57 Å²	57	30.4 Å²	30.4	59%	0.588	17%	0.166	S	C	*	.	H	α-helix	trans	49.7	-133.7	-179.1	0	0	0	0	0	113.3	H23 K24 Q25	G21-H23 VanDerWaalsContact C-N 3.3Å; G21-H23 PolarHBondContact O-N 3.49Å; G21-K24 PolarHBondContact O-N 2.74Å; G21-Q25 WeakPolarHBondContact O-CG 3.28Å; G21-Q25 PolarHBondContact O-N 3.5Å
22	S	94.1	Very high	97	Very high	45 Å²	45	34.8 Å²	34.8	32%	0.315	18%	0.182	S	C	.	.	H	α-helix	trans	-65.2	-27.6	179.4	55.1	0	0	0	0	114.1	G20 L26 Y174	G20-S22 PolarHBondContact O-N 3.37Å; S22-L26 WeakPolarHBondContact O-CB 3.45Å; S22-L26 PolarHBondContact O-N 3.45Å; S22-Y174 WeakPolarHBondContact CA-OH 3.35Å; S22-Y174 WeakPolarHBondContact O-CE2 3.37Å; S22-Y174 PolarHBondContact O-OH 3.45Å; S22-Y174 VanDerWaalsContact O-OH 3.09Å
23	H	97.6	Very high	96.9	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-48.5	175.5	-73.1	-112.3	0	0	0	111.2	E16 F18 G20 G21 Q25 L26 I27 H99	E16-H23 HydrophobicContact CG-CB 4.26Å; E16-H23 IonicContact OE1-ND1 3.6Å; E16-H23 PolarHBondContact OE1-ND1 3.03Å; E16-H23 IonicContact OE2-CG 2.78Å; E16-H23 IonicContact OE2-ND1 3.42Å; E16-H23 PolarHBondContact OE2-ND1 3.34Å; F18-H23 WeakPolarHBondContact O-CB 3.27Å; G20-H23 WeakPolarHBondContact O-CB 3.48Å; G20-H23 PolarHBondContact O-N 3.06Å; G20-H23 VanDerWaalsContact O-N 3.12Å; G21-H23 VanDerWaalsContact C-N 3.3Å; G21-H23 PolarHBondContact O-N 3.49Å; H23-Q25 VanDerWaalsContact C-N 3.34Å; H23-Q25 PolarHBondContact O-N 2.96Å; H23-L26 PolarHBondContact O-N 3.22Å; H23-I27 VanDerWaalsContact O-CG1 3.28Å; H23-I27 WeakPolarHBondContact O-CG1 3.27Å; H23-I27 PolarHBondContact O-N 3.16Å; H23-H99 AromaticContact CD2-CD2 3.84Å; H23-H99 AromaticContact CD2-CG 3.79Å; H23-H99 AromaticContact CE1-CD2 3.3Å; H23-H99 PolarHBondContact CE1-CD2 2.93Å; H23-H99 AromaticContact CE1-CG 3.77Å; H23-H99 AromaticContact CG-CD2 3.83Å; H23-H99 AromaticContact CG-NE2 3.85Å; H23-H99 AromaticContact ND1-CD2 3.5Å; H23-H99 PolarHBondContact ND1-CD2 3.2Å; H23-H99 AromaticContact ND1-NE2 3.77Å; H23-H99 AromaticContact NE2-CD2 3.52Å; H23-H99 AromaticContact NE2-CG 3.49Å
24	K	97.4	Very high	96.7	Very high	84 Å²	84	37.7 Å²	37.7	37%	0.365	20%	0.197	S	C	.	.	H	α-helix	trans	-58.2	-48.1	175.6	168.4	168.9	-166.1	-53	0	111	Y19 G20 G21 L26 I27 D28	Y19-K24 HydrophobicContact CD1-CB 4.3Å; Y19-K24 HydrophobicContact CD1-CD 4.11Å; Y19-K24 HydrophobicContact CD1-CG 4.23Å; Y19-K24 HydrophobicContact CD2-CB 4Å; Y19-K24 HydrophobicContact CD2-CG 4.26Å; Y19-K24 HydrophobicContact CE1-CB 4.29Å; Y19-K24 HydrophobicContact CE1-CD 3.58Å; Y19-K24 HydrophobicContact CE1-CG 3.74Å; Y19-K24 HydrophobicContact CE2-CB 3.97Å; Y19-K24 HydrophobicContact CE2-CG 3.75Å; Y19-K24 HydrophobicContact CG-CB 4.17Å; Y19-K24 HydrophobicContact CG-CG 4.49Å; Y19-K24 VanDerWaalsContact CZ-CG 3.48Å; Y19-K24 WeakPolarHBondContact OH-CE 3.47Å; G20-K24 PolarHBondContact O-N 2.94Å; G21-K24 PolarHBondContact O-N 2.74Å; K24-L26 PolarHBondContact O-N 3.29Å; K24-I27 PolarHBondContact O-N 3.48Å; K24-D28 WeakPolarHBondContact CG-OD2 3.36Å; K24-D28 IonicContact NZ-OD2 2.71Å; K24-D28 PolarHBondContact NZ-OD2 3.05Å; K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.22Å; K24-D28 PolarHBondContact O-N 2.94Å
25	Q	96.3	Very high	96.4	Very high	112 Å²	112	44.9 Å²	44.9	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-45.1	179.9	-73.1	173.2	6.5	0	0	112.2	G21 H23 L29 Y174	G21-Q25 WeakPolarHBondContact O-CG 3.28Å; G21-Q25 PolarHBondContact O-N 3.5Å; H23-Q25 VanDerWaalsContact C-N 3.34Å; H23-Q25 PolarHBondContact O-N 2.96Å; Q25-L29 VanDerWaalsContact O-CB 3.25Å; Q25-L29 WeakPolarHBondContact O-CB 3.5Å; Q25-L29 PolarHBondContact O-N 3.46Å; Q25-Y174 WeakPolarHBondContact CB-OH 3.24Å; Q25-Y174 PolarHBondContact OE1-OH 3.3Å
26	L	98.1	Very high	96.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-46.6	177.1	179.3	60.1	0	0	0	111.9	S22 H23 K24 D28 L29 L30 F72 Y97 Y174 P175 F390	S22-L26 WeakPolarHBondContact O-CB 3.45Å; S22-L26 PolarHBondContact O-N 3.45Å; H23-L26 PolarHBondContact O-N 3.22Å; K24-L26 PolarHBondContact O-N 3.29Å; L26-D28 VanDerWaalsContact C-N 3.34Å; L26-D28 PolarHBondContact O-N 3Å; L26-L29 PolarHBondContact O-N 2.99Å; L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.09Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.14Å; L26-F72 HydrophobicContact CD2-CZ 4.06Å; L26-Y97 HydrophobicContact CD2-CD1 3.67Å; L26-Y97 HydrophobicContact CD2-CD2 4.45Å; L26-Y97 HydrophobicContact CD2-CE1 3.63Å; L26-Y97 HydrophobicContact CD2-CE2 4.42Å; L26-Y97 HydrophobicContact CD2-CG 4.1Å; L26-Y174 HydrophobicContact CB-CE2 4Å; L26-P175 HydrophobicContact CD1-CG 3.59Å; L26-F390 HydrophobicContact CD1-CE1 4.06Å; L26-F390 HydrophobicContact CD1-CZ 4.13Å
27	I	98.3	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-41.9	-179.1	-65.6	-67	0	0	0	111.4	L14 E16 Y19 H23 K24 L30 K31 V39 F72	L14-I27 HydrophobicContact CB-CD1 4.28Å; E16-I27 HydrophobicContact CB-CD1 4Å; E16-I27 HydrophobicContact CB-CG1 3.8Å; E16-I27 HydrophobicContact CG-CG1 4.01Å; Y19-I27 HydrophobicContact CD2-CB 4.28Å; Y19-I27 HydrophobicContact CD2-CG2 4.26Å; Y19-I27 HydrophobicContact CE2-CB 4.05Å; Y19-I27 HydrophobicContact CE2-CG2 3.9Å; H23-I27 VanDerWaalsContact O-CG1 3.28Å; H23-I27 WeakPolarHBondContact O-CG1 3.27Å; H23-I27 PolarHBondContact O-N 3.16Å; K24-I27 PolarHBondContact O-N 3.48Å; I27-L30 PolarHBondContact O-N 3.37Å; I27-K31 VanDerWaalsContact O-CB 3.29Å; I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 3.39Å; I27-V39 HydrophobicContact CG2-CG1 3.48Å; I27-V39 VanDerWaalsContact CG2-CG1 3.48Å; I27-F72 HydrophobicContact CD1-CD1 4.16Å; I27-F72 HydrophobicContact CD1-CE1 3.91Å
28	D	97.8	Very high	96	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-45.8	176.5	-69.6	-16.2	0	0	0	110.9	Y19 K24 L26 L30 K31 E32	Y19-D28 VanDerWaalsContact OH-CG 3.24Å; Y19-D28 PolarHBondContact OH-OD1 2.96Å; Y19-D28 PolarHBondContact OH-OD2 3.44Å; K24-D28 WeakPolarHBondContact CG-OD2 3.36Å; K24-D28 IonicContact NZ-OD2 2.71Å; K24-D28 PolarHBondContact NZ-OD2 3.05Å; K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.22Å; K24-D28 PolarHBondContact O-N 2.94Å; L26-D28 VanDerWaalsContact C-N 3.34Å; L26-D28 PolarHBondContact O-N 3Å; D28-L30 PolarHBondContact O-N 3.18Å; D28-K31 PolarHBondContact O-N 3.25Å; D28-E32 WeakPolarHBondContact O-CB 3.44Å; D28-E32 VanDerWaalsContact O-CG 3.26Å; D28-E32 WeakPolarHBondContact O-CG 3.47Å; D28-E32 PolarHBondContact O-N 2.98Å
29	L	97	Very high	96.1	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-47	177.7	-176.1	70	0	0	0	112	Q25 L26 E32 N33 P175 Q177 W383	Q25-L29 VanDerWaalsContact O-CB 3.25Å; Q25-L29 WeakPolarHBondContact O-CB 3.5Å; Q25-L29 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 2.99Å; L29-E32 PolarHBondContact O-N 3.08Å; L29-N33 WeakPolarHBondContact O-CB 3.35Å; L29-N33 PolarHBondContact O-N 3.21Å; L29-N33 VanDerWaalsContact O-N 3.12Å; L29-N33 PolarHBondContact O-ND2 3.01Å; L29-P175 HydrophobicContact CD2-CB 3.74Å; L29-P175 HydrophobicContact CD2-CG 3.51Å; L29-Q177 HydrophobicContact CD1-CG 3.93Å; L29-W383 HydrophobicContact CD1-CB 4.31Å; L29-W383 HydrophobicContact CD1-CD2 3.96Å; L29-W383 HydrophobicContact CD1-CG 3.83Å; L29-W383 HydrophobicContact CD2-CB 4.08Å; L29-W383 HydrophobicContact CD2-CD2 3.66Å; L29-W383 HydrophobicContact CD2-CE3 3.4Å; L29-W383 HydrophobicContact CD2-CG 3.96Å; L29-W383 HydrophobicContact CD2-CZ3 4.04Å; L29-W383 HydrophobicContact CG-CD2 3.82Å; L29-W383 HydrophobicContact CG-CE3 3.88Å; L29-W383 HydrophobicContact CG-CG 4.19Å; L29-W383 HydrophobicContact CG-CZ3 4.29Å
30	L	97.4	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-46.2	177.5	-67.5	178	0	0	0	111.1	L14 L26 I27 D28 E32 N33 I34 F72 W383 F390 L394	L14-L30 HydrophobicContact CD1-CB 3.94Å; L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.09Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.14Å; I27-L30 PolarHBondContact O-N 3.37Å; D28-L30 PolarHBondContact O-N 3.18Å; L30-E32 VanDerWaalsContact C-N 3.27Å; L30-E32 PolarHBondContact O-N 3.37Å; L30-N33 PolarHBondContact O-N 3.48Å; L30-I34 HydrophobicContact CB-CG1 4.5Å; L30-I34 HydrophobicContact CD2-CG1 4.14Å; L30-I34 WeakPolarHBondContact O-CA 3.42Å; L30-I34 WeakPolarHBondContact O-CB 3.12Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 2.87Å; L30-F72 HydrophobicContact CD1-CD1 4.43Å; L30-F72 HydrophobicContact CD1-CE1 4.07Å; L30-F72 HydrophobicContact CD1-CE2 4.31Å; L30-F72 HydrophobicContact CD1-CZ 4Å; L30-W383 HydrophobicContact CD2-CH2 3.97Å; L30-W383 HydrophobicContact CD2-CZ3 4.01Å; L30-F390 HydrophobicContact CD2-CB 4.32Å; L30-F390 HydrophobicContact CD2-CD1 3.74Å; L30-F390 HydrophobicContact CD2-CE1 4.38Å; L30-F390 HydrophobicContact CD2-CG 4.18Å; L30-L394 HydrophobicContact CD1-CD1 4.34Å; L30-L394 HydrophobicContact CD2-CD1 4.01Å
31	K	96.7	Very high	96.3	Very high	123 Å²	123	49.7 Å²	49.7	54%	0.535	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-39	178.1	-176	-171.9	-179.7	-178.2	0	112.4	I27 D28 V39	I27-K31 VanDerWaalsContact O-CB 3.29Å; I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 3.39Å; D28-K31 PolarHBondContact O-N 3.25Å; K31-V39 HydrophobicContact CB-CG2 4.1Å; K31-V39 HydrophobicContact CD-CG2 3.79Å; K31-V39 HydrophobicContact CG-CG2 3.84Å
32	E	96.3	Very high	96.6	Very high	140 Å²	140	47.6 Å²	47.6	65%	0.654	25%	0.251	S	S	*	.	H	α-helix	trans	-74.6	-26.4	-179.3	-74.4	171.6	-171.8	0	0	113.1	D28 L29 L30	D28-E32 WeakPolarHBondContact O-CB 3.44Å; D28-E32 VanDerWaalsContact O-CG 3.26Å; D28-E32 WeakPolarHBondContact O-CG 3.47Å; D28-E32 PolarHBondContact O-N 2.98Å; L29-E32 PolarHBondContact O-N 3.08Å; L30-E32 VanDerWaalsContact C-N 3.27Å; L30-E32 PolarHBondContact O-N 3.37Å
33	N	95.4	Very high	96.7	Very high	46 Å²	46	49 Å²	49	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-120.9	-5.3	-168.4	-67.7	-98.4	0	0	0	115.3	L29 L30 W383	L29-N33 WeakPolarHBondContact O-CB 3.35Å; L29-N33 PolarHBondContact O-N 3.21Å; L29-N33 VanDerWaalsContact O-N 3.12Å; L29-N33 PolarHBondContact O-ND2 3.01Å; L30-N33 PolarHBondContact O-N 3.48Å; N33-W383 HydrophobicContact CB-CH2 4.26Å; N33-W383 HydrophobicContact CB-CZ2 3.29Å; N33-W383 VanDerWaalsContact CG-NE1 3.32Å; N33-W383 PolarHBondContact OD1-NE1 2.85Å; N33-W383 VanDerWaalsContact OD1-NE1 3.09Å
34	I	93.9	Very high	96.5	Very high	18 Å²	18	50.2 Å²	50.2	9%	0.092	27%	0.27	C	S	.	.	S	Bend	trans	-118.5	117.9	176.8	-54.2	-65.2	0	0	0	108.4	V12 L30 C37 W383 Q391 L394	V12-I34 HydrophobicContact CG2-CG2 4.45Å; L30-I34 HydrophobicContact CB-CG1 4.5Å; L30-I34 HydrophobicContact CD2-CG1 4.14Å; L30-I34 WeakPolarHBondContact O-CA 3.42Å; L30-I34 WeakPolarHBondContact O-CB 3.12Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 2.87Å; I34-C37 PolarHBondContact O-SG 2.87Å; I34-W383 HydrophobicContact CD1-CH2 4.31Å; I34-Q391 HydrophobicContact CD1-CG 3.53Å; I34-L394 HydrophobicContact CG1-CD1 4.13Å; I34-L394 HydrophobicContact CG2-CD1 4.4Å
35	D	91.1	Very high	96.2	Very high	151 Å²	151	53.5 Å²	53.5	81%	0.807	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	147.8	-178.3	-62.5	-41.2	0	0	0	112.2
36	G	93.5	Very high	95.9	Very high	26 Å²	26	55.7 Å²	55.7	27%	0.268	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	27.7	173.6	0	0	0	0	0	114.8	P10 S11 V12	P10-G36 CarbonylContact C-O 3.58Å; P10-G36 WeakPolarHBondContact CA-O 3.41Å; P10-G36 WeakPolarHBondContact CB-O 3.34Å; S11-G36 PolarHBondContact N-O 3.11Å; V12-G36 PolarHBondContact N-O 2.95Å; V12-G36 VanDerWaalsContact N-O 3.15Å
37	C	96.3	Very high	95.5	Very high	26 Å²	26	59.3 Å²	59.3	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132	175.3	-71.5	0	0	0	0	112.9	V12 L14 I34 V39	V12-C37 CarbonylContact O-C 3.48Å; V12-C37 WeakPolarHBondContact O-CA 3.33Å; L14-C37 HydrophobicContact CD1-CB 4.12Å; L14-C37 HydrophobicContact CG-CB 4.34Å; I34-C37 PolarHBondContact O-SG 2.87Å; C37-V39 HydrophobicContact CB-CG2 4.48Å
38	S	97.3	Very high	95.2	Very high	26 Å²	26	62.9 Å²	62.9	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.9	161.9	-69.4	0	0	0	0	109.7	P10 V12 L14 Y68	P10-S38 WeakPolarHBondContact CB-OG 3.46Å; V12-S38 PolarHBondContact O-N 2.96Å; L14-S38 PolarHBondContact N-O 3.12Å; S38-Y68 VanDerWaalsContact CB-OH 3.28Å; S38-Y68 WeakPolarHBondContact CB-OH 3.24Å; S38-Y68 PolarHBondContact OG-OH 3.02Å
39	V	98.2	Very high	95	Very high	43 Å²	43	68.7 Å²	68.7	26%	0.261	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.2	-168	-170.1	0	0	0	0	110.9	L14 I27 K31 C37 T41	L14-V39 HydrophobicContact CB-CG1 4.29Å; L14-V39 HydrophobicContact CB-CG2 4.16Å; L14-V39 HydrophobicContact CD1-CG2 3.95Å; L14-V39 HydrophobicContact CG-CG2 4.33Å; L14-V39 WeakPolarHBondContact O-CA 3.41Å; I27-V39 HydrophobicContact CG2-CG1 3.48Å; I27-V39 VanDerWaalsContact CG2-CG1 3.48Å; K31-V39 HydrophobicContact CB-CG2 4.1Å; K31-V39 HydrophobicContact CD-CG2 3.79Å; K31-V39 HydrophobicContact CG-CG2 3.84Å; C37-V39 HydrophobicContact CB-CG2 4.48Å; V39-T41 HydrophobicContact CG1-CG2 3.68Å
40	F	98.5	Very high	94.9	Very high	46 Å²	46	70.9 Å²	70.9	20%	0.202	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.8	176.6	-68.9	-95.3	0	0	0	109.5	L13 L14 V15 E16 F58 I62 P63	L13-F40 HydrophobicContact CD1-CD2 3.5Å; L13-F40 VanDerWaalsContact CD1-CD2 3.5Å; L13-F40 HydrophobicContact CD1-CE2 3.76Å; L14-F40 PolarHBondContact O-N 2.98Å; V15-F40 WeakPolarHBondContact CA-O 3.36Å; E16-F40 PolarHBondContact N-O 3.16Å; F40-F58 HydrophobicContact CB-CD1 4.08Å; F40-F58 HydrophobicContact CB-CE1 3.82Å; F40-I62 HydrophobicContact CB-CD1 4.47Å; F40-I62 HydrophobicContact CB-CG1 4.17Å; F40-I62 HydrophobicContact CD1-CG1 3.91Å; F40-I62 HydrophobicContact CD2-CG1 4.03Å; F40-I62 HydrophobicContact CE1-CG1 4.35Å; F40-I62 HydrophobicContact CE2-CG1 4.46Å; F40-I62 HydrophobicContact CE2-CG2 4.41Å; F40-I62 HydrophobicContact CG-CD1 4.45Å; F40-I62 HydrophobicContact CG-CG1 3.75Å; F40-P63 HydrophobicContact CZ-CG 4.1Å
41	T	98.5	Very high	94.8	Very high	54 Å²	54	71.1 Å²	71.1	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.1	-171.6	70.1	0	0	0	0	113.1	E16 Y19 V39	E16-T41 HydrophobicContact CB-CG2 4.19Å; E16-T41 CarbonylContact O-C 3.5Å; E16-T41 WeakPolarHBondContact O-CA 3.2Å; Y19-T41 HydrophobicContact CD2-CG2 3.6Å; Y19-T41 HydrophobicContact CE2-CG2 4.08Å; Y19-T41 HydrophobicContact CG-CG2 3.94Å; V39-T41 HydrophobicContact CG1-CG2 3.68Å
42	L	98.2	Very high	94.7	Very high	13 Å²	13	68 Å²	68	7%	0.068	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.4	167.4	-75.3	172.2	0	0	0	110.4	E16 A17 Y19 A54 Y57 F58	E16-L42 PolarHBondContact O-N 3.36Å; A17-L42 WeakPolarHBondContact O-CB 3.43Å; Y19-L42 WeakPolarHBondContact CB-O 3.46Å; Y19-L42 PolarHBondContact N-O 3.24Å; L42-A54 HydrophobicContact CD1-CB 3.63Å; L42-Y57 HydrophobicContact CD1-CD1 4.17Å; L42-Y57 HydrophobicContact CD2-CD1 3.78Å; L42-Y57 HydrophobicContact CD2-CE1 3.65Å; L42-Y57 HydrophobicContact CD2-CG 4.41Å; L42-Y57 HydrophobicContact CG-CD1 4.19Å; L42-Y57 HydrophobicContact CG-CE1 4.35Å; L42-F58 HydrophobicContact CB-CZ 4.44Å; L42-F58 HydrophobicContact CD1-CE2 4.06Å; L42-F58 HydrophobicContact CD1-CZ 3.99Å; L42-F58 HydrophobicContact CG-CE1 4.26Å; L42-F58 HydrophobicContact CG-CE2 4.31Å; L42-F58 HydrophobicContact CG-CZ 3.74Å
43	P	97	Very high	94.6	Very high	74 Å²	74	64.1 Å²	64.1	48%	0.481	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141	179.8	-24.6	31.9	0	0	0	112.6	K45 R50	P43-K45 PolarHBondContact O-N 3.35Å; P43-R50 PolarHBondContact O-NE 3.06Å; P43-R50 PolarHBondContact O-NH2 2.67Å; P43-R50 VanDerWaalsContact O-NH2 3.16Å
44	A	93.3	Very high	94.8	Very high	34 Å²	34	61.9 Å²	61.9	28%	0.281	31%	0.311	S	S	.	.	S	Bend	trans	-69.3	59.1	175.3	0	0	0	0	0	113.9	F18 Y19 G20	F18-A44 HydrophobicContact CD1-CB 3.97Å; F18-A44 HydrophobicContact CD2-CB 3.95Å; F18-A44 HydrophobicContact CE1-CB 3.68Å; F18-A44 VanDerWaalsContact CE2-C 3.46Å; F18-A44 VanDerWaalsContact CE2-CA 3.43Å; F18-A44 HydrophobicContact CE2-CB 3.66Å; F18-A44 HydrophobicContact CG-CB 4.09Å; F18-A44 HydrophobicContact CZ-CB 3.52Å; Y19-A44 WeakPolarHBondContact O-CB 3.47Å; Y19-A44 PolarHBondContact O-N 2.84Å; G20-A44 VanDerWaalsContact CA-CB 3.5Å
45	K	90.6	Very high	95	Very high	153 Å²	153	61.1 Å²	61.1	67%	0.665	31%	0.308	S	S	*	.	S	Bend	trans	-129.1	140.3	174.6	-67.6	-177.5	-178.9	-178.8	0	108.4	P43 R50	P43-K45 PolarHBondContact O-N 3.35Å; K45-R50 PolarHBondContact O-NE 2.78Å
46	K	90	Very high	95.3	Very high	159 Å²	159	58.7 Å²	58.7	69%	0.691	29%	0.294	S	S	*	.			trans	53.1	58.9	176.7	-59.2	-176.2	176.9	-178.5	0	111.8	H48 W49 R50	K46-H48 PolarHBondContact O-N 3.42Å; K46-H48 VanDerWaalsContact O-N 3.09Å; K46-W49 HydrophobicContact CB-CB 4.38Å; K46-W49 HydrophobicContact CB-CG 4.48Å; K46-W49 WeakPolarHBondContact O-CB 3.45Å; K46-W49 PolarHBondContact O-N 3.38Å; K46-R50 PolarHBondContact O-N 2.91Å
47	W	90.9	Very high	95.5	Very high	77 Å²	77	62.9 Å²	62.9	29%	0.292	30%	0.303	S	S	.	.	H	α-helix	trans	-51.2	-37.8	-173.7	76.6	-99.1	0	0	0	113.5	F18 W49 R50 A51 Y117	F18-W47 HydrophobicContact CD2-CB 3.65Å; F18-W47 HydrophobicContact CE2-CB 3.51Å; F18-W47 HydrophobicContact CZ-CB 4.34Å; W47-W49 PolarHBondContact O-N 3.43Å; W47-R50 WeakPolarHBondContact O-CA 3.44Å; W47-R50 VanDerWaalsContact O-CB 3.29Å; W47-R50 WeakPolarHBondContact O-CB 3.45Å; W47-R50 PolarHBondContact O-N 2.92Å; W47-A51 HydrophobicContact CE3-CB 4.45Å; W47-A51 PolarHBondContact O-N 2.9Å; W47-Y117 HydrophobicContact CH2-CD1 4.36Å; W47-Y117 AromaticContact CH2-CD2 3.58Å; W47-Y117 HydrophobicContact CH2-CD2 3.58Å; W47-Y117 AromaticContact CH2-CE2 3.83Å; W47-Y117 HydrophobicContact CH2-CE2 3.83Å; W47-Y117 AromaticContact CH2-CG 3.9Å; W47-Y117 HydrophobicContact CH2-CG 3.9Å; W47-Y117 AromaticContact CZ3-CD1 3.87Å; W47-Y117 HydrophobicContact CZ3-CD1 3.87Å; W47-Y117 AromaticContact CZ3-CD2 3.94Å; W47-Y117 HydrophobicContact CZ3-CD2 3.94Å; W47-Y117 HydrophobicContact CZ3-CE1 4.17Å; W47-Y117 HydrophobicContact CZ3-CE2 4.25Å; W47-Y117 AromaticContact CZ3-CG 3.77Å; W47-Y117 HydrophobicContact CZ3-CG 3.77Å
48	H	91.4	Very high	95.7	Very high	74 Å²	74	61.7 Å²	61.7	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-51.8	-39.6	174.2	-57.9	107.8	0	0	0	113.4	K46 R52 Y117	K46-H48 PolarHBondContact O-N 3.42Å; K46-H48 VanDerWaalsContact O-N 3.09Å; H48-R52 WeakPolarHBondContact O-CD 3.41Å; H48-R52 VanDerWaalsContact O-CG 3.25Å; H48-R52 WeakPolarHBondContact O-CG 3.25Å; H48-Y117 HydrophobicContact CB-CE1 4.36Å; H48-Y117 WeakPolarHBondContact CB-OH 3.46Å; H48-Y117 AromaticContact CD2-CE2 3.62Å; H48-Y117 AromaticContact CD2-CZ 3.53Å; H48-Y117 PolarHBondContact CD2-OH 3.46Å; H48-Y117 VanDerWaalsContact CD2-OH 3.27Å
49	W	93.4	Very high	95.7	Very high	153 Å²	153	61.4 Å²	61.4	58%	0.58	29%	0.292	S	S	*	.	H	α-helix	trans	-75	-37.4	176.4	-73.6	89.7	0	0	0	111.4	K46 W47 A51 R52 T53	K46-W49 HydrophobicContact CB-CB 4.38Å; K46-W49 HydrophobicContact CB-CG 4.48Å; K46-W49 WeakPolarHBondContact O-CB 3.45Å; K46-W49 PolarHBondContact O-N 3.38Å; W47-W49 PolarHBondContact O-N 3.43Å; W49-A51 VanDerWaalsContact C-N 3.32Å; W49-A51 PolarHBondContact O-N 3.19Å; W49-R52 PolarHBondContact O-N 3.34Å; W49-R52 VanDerWaalsContact O-N 3.13Å; W49-T53 HydrophobicContact CE3-CG2 4.17Å; W49-T53 PolarHBondContact O-N 3.42Å; W49-T53 PolarHBondContact O-OG1 3.37Å; W49-T53 VanDerWaalsContact O-OG1 3.05Å
50	R	95.6	Very high	95.7	Very high	52 Å²	52	66.8 Å²	66.8	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-46.5	174.1	-58.3	-56	-175.9	-143.7	1.4	111.3	A17 F18 P43 K45 K46 W47 R52 A54 V76	A17-R50 HydrophobicContact CB-CB 4.3Å; A17-R50 VanDerWaalsContact O-CB 3.3Å; A17-R50 WeakPolarHBondContact O-CB 3.37Å; A17-R50 WeakPolarHBondContact O-CD 3.08Å; A17-R50 WeakPolarHBondContact O-CG 3.36Å; F18-R50 HydrophobicContact CD2-CG 4.4Å; P43-R50 PolarHBondContact O-NE 3.06Å; P43-R50 PolarHBondContact O-NH2 2.67Å; P43-R50 VanDerWaalsContact O-NH2 3.16Å; K45-R50 PolarHBondContact O-NE 2.78Å; K46-R50 PolarHBondContact O-N 2.91Å; W47-R50 WeakPolarHBondContact O-CA 3.44Å; W47-R50 VanDerWaalsContact O-CB 3.29Å; W47-R50 WeakPolarHBondContact O-CB 3.45Å; W47-R50 PolarHBondContact O-N 2.92Å; R50-R52 PolarHBondContact O-N 3.08Å; R50-R52 VanDerWaalsContact O-N 3.15Å; R50-A54 WeakPolarHBondContact O-CB 3.46Å; R50-A54 PolarHBondContact O-N 2.67Å; R50-A54 VanDerWaalsContact O-N 3.15Å; R50-V76 HydrophobicContact CB-CG1 4.27Å
51	A	94.8	Very high	95.7	Very high	6 Å²	6	67.1 Å²	67.1	5%	0.05	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-18.5	179	0	0	0	0	0	114.6	W47 W49 V76 Y117 N120	W47-A51 HydrophobicContact CE3-CB 4.45Å; W47-A51 PolarHBondContact O-N 2.9Å; W49-A51 VanDerWaalsContact C-N 3.32Å; W49-A51 PolarHBondContact O-N 3.19Å; A51-V76 VanDerWaalsContact CA-O 3.31Å; A51-V76 WeakPolarHBondContact CA-O 3.2Å; A51-V76 HydrophobicContact CB-CG1 4.28Å; A51-Y117 HydrophobicContact CB-CD1 3.74Å; A51-Y117 HydrophobicContact CB-CE1 4.07Å; A51-N120 PolarHBondContact O-ND2 3.22Å
52	R	93.6	Very high	95.7	Very high	57 Å²	57	64.7 Å²	64.7	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-102.6	-34.6	-176.7	-68.9	171.9	-175.3	-133.5	-16.2	114.3	H48 W49 R50 R113 Y117	H48-R52 WeakPolarHBondContact O-CD 3.41Å; H48-R52 VanDerWaalsContact O-CG 3.25Å; H48-R52 WeakPolarHBondContact O-CG 3.25Å; W49-R52 PolarHBondContact O-N 3.34Å; W49-R52 VanDerWaalsContact O-N 3.13Å; R50-R52 PolarHBondContact O-N 3.08Å; R50-R52 VanDerWaalsContact O-N 3.15Å; R52-R113 VanDerWaalsContact NH2-CG 3.31Å; R52-R113 PolarHBondContact NH2-O 2.76Å; R52-Y117 HydrophobicContact CG-CE1 4.22Å; R52-Y117 PolarHBondContact NE-OH 3.35Å; R52-Y117 PolarHBondContact NH2-OH 2.99Å; R52-Y117 VanDerWaalsContact NH2-OH 3.1Å
53	T	95.9	Very high	95.5	Very high	58 Å²	58	67.4 Å²	67.4	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-123.3	-9.2	-166.9	69.5	0	0	0	0	114	W49 A55 L56 Y57	W49-T53 HydrophobicContact CE3-CG2 4.17Å; W49-T53 PolarHBondContact O-N 3.42Å; W49-T53 PolarHBondContact O-OG1 3.37Å; W49-T53 VanDerWaalsContact O-OG1 3.05Å; T53-A55 VanDerWaalsContact C-N 3.29Å; T53-A55 PolarHBondContact O-N 3.38Å; T53-L56 PolarHBondContact O-N 3.14Å; T53-Y57 PolarHBondContact O-N 3.16Å
54	A	97.9	Very high	95.4	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-37.4	-177.8	0	0	0	0	0	112.6	A17 L42 R50 L56 Y57 F58 L77	A17-A54 HydrophobicContact CB-CB 3.57Å; L42-A54 HydrophobicContact CD1-CB 3.63Å; R50-A54 WeakPolarHBondContact O-CB 3.46Å; R50-A54 PolarHBondContact O-N 2.67Å; R50-A54 VanDerWaalsContact O-N 3.15Å; A54-L56 PolarHBondContact O-N 3.4Å; A54-Y57 PolarHBondContact O-N 3.21Å; A54-F58 HydrophobicContact CB-CD2 4.11Å; A54-F58 HydrophobicContact CB-CE2 3.97Å; A54-F58 WeakPolarHBondContact O-CB 3.32Å; A54-F58 WeakPolarHBondContact O-CD2 3.41Å; A54-F58 WeakPolarHBondContact O-CG 3.35Å; A54-F58 PolarHBondContact O-N 3.09Å; A54-L77 HydrophobicContact CB-CD1 3.84Å
55	A	98.3	Very high	95.5	Very high	2 Å²	2	69.1 Å²	69.1	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-45.6	178.4	0	0	0	0	0	112.4	T53 F58 S59 L77 N78 E81 L82	T53-A55 VanDerWaalsContact C-N 3.29Å; T53-A55 PolarHBondContact O-N 3.38Å; A55-F58 PolarHBondContact O-N 3.15Å; A55-S59 WeakPolarHBondContact O-CB 3.36Å; A55-S59 PolarHBondContact O-N 3.37Å; A55-L77 HydrophobicContact CB-CD1 4.29Å; A55-N78 WeakPolarHBondContact CB-O 3.36Å; A55-E81 HydrophobicContact CB-CB 3.64Å; A55-L82 HydrophobicContact CB-CB 4.06Å
56	L	98.3	Very high	95.6	Very high	100 Å²	100	66.5 Å²	66.5	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-39.9	175.9	179.3	61.1	0	0	0	112.2	T53 A54 S59 L85	T53-L56 PolarHBondContact O-N 3.14Å; A54-L56 PolarHBondContact O-N 3.4Å; L56-S59 PolarHBondContact O-OG 3.44Å; L56-L85 HydrophobicContact CD1-CD1 4.32Å
57	Y	98.5	Very high	95.8	Very high	114 Å²	114	60.1 Å²	60.1	45%	0.447	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-44.5	176	178	-94.6	0	0	0	111.9	L42 T53 A54 Q60 T61	L42-Y57 HydrophobicContact CD1-CD1 4.17Å; L42-Y57 HydrophobicContact CD2-CD1 3.78Å; L42-Y57 HydrophobicContact CD2-CE1 3.65Å; L42-Y57 HydrophobicContact CD2-CG 4.41Å; L42-Y57 HydrophobicContact CG-CD1 4.19Å; L42-Y57 HydrophobicContact CG-CE1 4.35Å; T53-Y57 PolarHBondContact O-N 3.16Å; A54-Y57 PolarHBondContact O-N 3.21Å; Y57-Q60 PolarHBondContact O-N 3.2Å; Y57-T61 HydrophobicContact CD1-CG2 4.3Å; Y57-T61 HydrophobicContact CD2-CG2 4.37Å; Y57-T61 HydrophobicContact CE1-CG2 3.85Å; Y57-T61 HydrophobicContact CE2-CG2 3.93Å; Y57-T61 WeakPolarHBondContact O-CG2 3.27Å; Y57-T61 PolarHBondContact O-N 3.17Å; Y57-T61 VanDerWaalsContact O-N 3.16Å; Y57-T61 PolarHBondContact O-OG1 2.63Å
58	F	98.6	Very high	96	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-29.6	-179.2	-72.4	-48.7	0	0	0	113.2	V15 A17 F40 L42 A54 A55 Q60 T61 I62 L77 L82	V15-F58 HydrophobicContact CG1-CB 4.49Å; V15-F58 HydrophobicContact CG1-CD1 4.17Å; V15-F58 HydrophobicContact CG1-CD2 3.41Å; V15-F58 VanDerWaalsContact CG1-CD2 3.41Å; V15-F58 HydrophobicContact CG1-CE1 4.22Å; V15-F58 HydrophobicContact CG1-CE2 3.45Å; V15-F58 VanDerWaalsContact CG1-CE2 3.45Å; V15-F58 HydrophobicContact CG1-CG 3.79Å; V15-F58 HydrophobicContact CG1-CZ 3.87Å; A17-F58 HydrophobicContact CB-CE2 4.33Å; F40-F58 HydrophobicContact CB-CD1 4.08Å; F40-F58 HydrophobicContact CB-CE1 3.82Å; L42-F58 HydrophobicContact CB-CZ 4.44Å; L42-F58 HydrophobicContact CD1-CE2 4.06Å; L42-F58 HydrophobicContact CD1-CZ 3.99Å; L42-F58 HydrophobicContact CG-CE1 4.26Å; L42-F58 HydrophobicContact CG-CE2 4.31Å; L42-F58 HydrophobicContact CG-CZ 3.74Å; A54-F58 HydrophobicContact CB-CD2 4.11Å; A54-F58 HydrophobicContact CB-CE2 3.97Å; A54-F58 WeakPolarHBondContact O-CB 3.32Å; A54-F58 WeakPolarHBondContact O-CD2 3.41Å; A54-F58 WeakPolarHBondContact O-CG 3.35Å; A54-F58 PolarHBondContact O-N 3.09Å; A55-F58 PolarHBondContact O-N 3.15Å; F58-Q60 PolarHBondContact O-N 2.88Å; F58-T61 WeakPolarHBondContact CA-OG1 3.48Å; F58-T61 PolarHBondContact O-N 3.11Å; F58-I62 HydrophobicContact CB-CD1 3.77Å; F58-I62 HydrophobicContact CB-CG1 4.18Å; F58-I62 HydrophobicContact CD1-CD1 4.29Å; F58-I62 HydrophobicContact CD1-CG1 4.3Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 WeakPolarHBondContact O-CB 3.49Å; F58-I62 WeakPolarHBondContact O-CG1 3.49Å; F58-I62 PolarHBondContact O-N 3.46Å; F58-L77 HydrophobicContact CD2-CD1 3.85Å; F58-L77 HydrophobicContact CE2-CD1 4.23Å; F58-L82 HydrophobicContact CB-CD1 3.99Å; F58-L82 HydrophobicContact CB-CD2 4.39Å
59	S	98.5	Very high	96.3	Very high	20 Å²	20	59 Å²	59	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-31.5	174.8	74.8	0	0	0	0	112.2	A55 L56 R86	A55-S59 WeakPolarHBondContact O-CB 3.36Å; A55-S59 PolarHBondContact O-N 3.37Å; L56-S59 PolarHBondContact O-OG 3.44Å; S59-R86 PolarHBondContact O-NH1 3.34Å
60	Q	98	Very high	96.5	Very high	156 Å²	156	51.8 Å²	51.8	73%	0.729	27%	0.272	S	S	*	.	H	α-helix	trans	-87.6	-29.7	178.1	-64.1	-177	-34.2	0	0	113.9	Y57 F58	Y57-Q60 PolarHBondContact O-N 3.2Å; F58-Q60 PolarHBondContact O-N 2.88Å
61	T	97.8	Very high	96.6	Very high	52 Å²	52	49.3 Å²	49.3	32%	0.319	26%	0.263	S	S	.	.	H	α-helix	trans	-101.5	-25.7	-169.1	51.9	0	0	0	0	114.6	Y57 F58 P63	Y57-T61 HydrophobicContact CD1-CG2 4.3Å; Y57-T61 HydrophobicContact CD2-CG2 4.37Å; Y57-T61 HydrophobicContact CE1-CG2 3.85Å; Y57-T61 HydrophobicContact CE2-CG2 3.93Å; Y57-T61 WeakPolarHBondContact O-CG2 3.27Å; Y57-T61 PolarHBondContact O-N 3.17Å; Y57-T61 VanDerWaalsContact O-N 3.16Å; Y57-T61 PolarHBondContact O-OG1 2.63Å; F58-T61 WeakPolarHBondContact CA-OG1 3.48Å; F58-T61 PolarHBondContact O-N 3.11Å; T61-P63 WeakPolarHBondContact O-CD 3.24Å
62	I	98	Very high	96.8	Very high	3 Å²	3	49 Å²	49	2%	0.015	26%	0.26	C	S	.	.	S	Bend	trans	-74.5	117.3	174.9	-64.1	175.6	0	0	0	108.2	L13 V15 F40 F58 Y68 L82 R86 L89	L13-I62 HydrophobicContact CD1-CD1 4.49Å; L13-I62 HydrophobicContact CD1-CG2 4.14Å; L13-I62 HydrophobicContact CD2-CD1 4.27Å; L13-I62 HydrophobicContact CD2-CG2 3.95Å; V15-I62 HydrophobicContact CG1-CD1 4.27Å; V15-I62 HydrophobicContact CG2-CD1 3.75Å; F40-I62 HydrophobicContact CB-CD1 4.47Å; F40-I62 HydrophobicContact CB-CG1 4.17Å; F40-I62 HydrophobicContact CD1-CG1 3.91Å; F40-I62 HydrophobicContact CD2-CG1 4.03Å; F40-I62 HydrophobicContact CE1-CG1 4.35Å; F40-I62 HydrophobicContact CE2-CG1 4.46Å; F40-I62 HydrophobicContact CE2-CG2 4.41Å; F40-I62 HydrophobicContact CG-CD1 4.45Å; F40-I62 HydrophobicContact CG-CG1 3.75Å; F58-I62 HydrophobicContact CB-CD1 3.77Å; F58-I62 HydrophobicContact CB-CG1 4.18Å; F58-I62 HydrophobicContact CD1-CD1 4.29Å; F58-I62 HydrophobicContact CD1-CG1 4.3Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 WeakPolarHBondContact O-CB 3.49Å; F58-I62 WeakPolarHBondContact O-CG1 3.49Å; F58-I62 PolarHBondContact O-N 3.46Å; I62-Y68 HydrophobicContact CG2-CE2 4.34Å; I62-L82 HydrophobicContact CD1-CD2 4.47Å; I62-R86 PolarHBondContact O-NH1 2.87Å; I62-R86 PolarHBondContact O-NH2 3.36Å; I62-L89 HydrophobicContact CG2-CD1 4.43Å
63	P	95.6	Very high	97.1	Very high	71 Å²	71	46.3 Å²	46.3	46%	0.461	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-68.1	152.3	179.2	30	-33.8	0	0	0	110.7	F40 T61 C65	F40-P63 HydrophobicContact CZ-CG 4.1Å; T61-P63 WeakPolarHBondContact O-CD 3.24Å; P63-C65 PolarHBondContact O-N 2.94Å
64	V	94.9	Very high	97.2	Very high	116 Å²	116	43.6 Å²	43.6	70%	0.703	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-66.2	126.3	169.7	179.2	0	0	0	0	108.2
65	C	94.2	Very high	97.1	Very high	28 Å²	28	43.8 Å²	43.8	19%	0.189	24%	0.235	C	C	.	.			trans	-137.9	121.8	178	-167.6	0	0	0	0	109.7	P63 S67 Y68	P63-C65 PolarHBondContact O-N 2.94Å; C65-S67 VanDerWaalsContact C-N 3.29Å; C65-S67 PolarHBondContact O-N 3.13Å; C65-S67 PolarHBondContact SG-OG 2.76Å; C65-Y68 HydrophobicContact CB-CD1 4.24Å; C65-Y68 HydrophobicContact CB-CD2 3.57Å; C65-Y68 HydrophobicContact CB-CE1 4.11Å; C65-Y68 HydrophobicContact CB-CE2 3.41Å; C65-Y68 VanDerWaalsContact CB-CE2 3.41Å; C65-Y68 HydrophobicContact CB-CG 3.97Å
66	S	92.8	Very high	97.1	Very high	97 Å²	97	44.3 Å²	44.3	68%	0.678	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.2	-177	57.4	0	0	0	0	113.1	R69	S66-R69 PolarHBondContact O-NH1 2.99Å
67	S	94.1	Very high	97.1	Very high	25 Å²	25	39.6 Å²	39.6	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.3	-179.5	62.5	0	0	0	0	113.7	P10 C65 R69	P10-S67 CarbonylContact O-C 3.52Å; P10-S67 VanDerWaalsContact O-CB 3.28Å; P10-S67 WeakPolarHBondContact O-CB 3.5Å; P10-S67 PolarHBondContact O-OG 3.31Å; C65-S67 VanDerWaalsContact C-N 3.29Å; C65-S67 PolarHBondContact O-N 3.13Å; C65-S67 PolarHBondContact SG-OG 2.76Å; S67-R69 PolarHBondContact O-N 3.23Å
68	Y	96.3	Very high	97	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.027	19%	0.192	C	C	.	.			trans	-57.6	137	175	-65.6	-27.7	0	0	0	111	P10 L13 S38 I62 C65 L89 L92	P10-Y68 HydrophobicContact CB-CE1 4.06Å; P10-Y68 HydrophobicContact CG-CE1 4.07Å; L13-Y68 HydrophobicContact CB-CD1 4.26Å; L13-Y68 HydrophobicContact CB-CD2 4.33Å; L13-Y68 HydrophobicContact CB-CE1 4.34Å; L13-Y68 HydrophobicContact CB-CE2 4.42Å; L13-Y68 HydrophobicContact CB-CG 4.28Å; L13-Y68 HydrophobicContact CD1-CE2 4.07Å; L13-Y68 HydrophobicContact CD2-CD2 4.13Å; L13-Y68 HydrophobicContact CD2-CE2 4.11Å; L13-Y68 HydrophobicContact CG-CE2 4.43Å; S38-Y68 VanDerWaalsContact CB-OH 3.28Å; S38-Y68 WeakPolarHBondContact CB-OH 3.24Å; S38-Y68 PolarHBondContact OG-OH 3.02Å; I62-Y68 HydrophobicContact CG2-CE2 4.34Å; C65-Y68 HydrophobicContact CB-CD1 4.24Å; C65-Y68 HydrophobicContact CB-CD2 3.57Å; C65-Y68 HydrophobicContact CB-CE1 4.11Å; C65-Y68 HydrophobicContact CB-CE2 3.41Å; C65-Y68 VanDerWaalsContact CB-CE2 3.41Å; C65-Y68 HydrophobicContact CB-CG 3.97Å; Y68-L89 HydrophobicContact CD2-CD2 4.42Å; Y68-L92 VanDerWaalsContact C-CD2 3.5Å; Y68-L92 WeakPolarHBondContact O-CD2 3.41Å
69	R	96.8	Very high	97	Very high	120 Å²	120	34.2 Å²	34.2	45%	0.453	19%	0.192	S	C	.	.			trans	-129.9	-32.6	177.9	-66	-65.9	176.8	-102	0.5	111.9	S11 S66 S67 L92 K93 A396	S11-R69 PolarHBondContact O-N 2.95Å; S66-R69 PolarHBondContact O-NH1 2.99Å; S67-R69 PolarHBondContact O-N 3.23Å; R69-L92 WeakPolarHBondContact O-CA 3.31Å; R69-K93 PolarHBondContact O-N 2.85Å; R69-A396 HydrophobicContact CB-CB 3.85Å; R69-A396 HydrophobicContact CG-CB 4.33Å
70	V	98.1	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.7	-179.2	-173.4	0	0	0	0	110	S11 V12 L13 K93 V95 L394	S11-V70 PolarHBondContact O-N 2.86Å; S11-V70 VanDerWaalsContact O-N 3.09Å; V12-V70 HydrophobicContact CG1-CB 4.47Å; V12-V70 HydrophobicContact CG2-CB 4.43Å; L13-V70 PolarHBondContact N-O 3.36Å; V70-K93 CarbonylContact C-O 3.58Å; V70-K93 WeakPolarHBondContact CA-O 3.32Å; V70-K93 HydrophobicContact CG1-CB 4.42Å; V70-K93 HydrophobicContact CG2-CB 4.18Å; V70-K93 HydrophobicContact CG2-CD 4.31Å; V70-V95 HydrophobicContact CG1-CG2 4.07Å; V70-L394 HydrophobicContact CG1-CD2 4.19Å; V70-L394 WeakPolarHBondContact CG2-O 3.49Å
71	L	98.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.2	169.5	-175.2	162.8	0	0	0	107.9	L13 V15 L79 L82 L89 L92 K93 K94 V95	L13-L71 HydrophobicContact CD2-CD1 4.15Å; L13-L71 HydrophobicContact CD2-CG 4.21Å; L13-L71 CarbonylContact O-C 3.47Å; L13-L71 WeakPolarHBondContact O-CA 3.19Å; V15-L71 HydrophobicContact CG2-CG 4.46Å; L71-L79 HydrophobicContact CD1-CD1 4.28Å; L71-L79 HydrophobicContact CD2-CD1 3.54Å; L71-L82 HydrophobicContact CD1-CD2 4.41Å; L71-L89 HydrophobicContact CD1-CB 4.15Å; L71-L89 HydrophobicContact CD1-CD1 4.32Å; L71-L92 HydrophobicContact CB-CB 4.26Å; L71-L92 HydrophobicContact CB-CD1 4.06Å; L71-K93 PolarHBondContact N-O 2.72Å; L71-K94 WeakPolarHBondContact O-CA 3.46Å; L71-V95 PolarHBondContact O-N 2.64Å
72	F	98.8	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.2	172.3	177.1	-85.3	0	0	0	109.8	L13 L14 V15 L26 I27 L30 V95 Y97 L394	L13-F72 PolarHBondContact O-N 3.13Å; L14-F72 HydrophobicContact CD2-CB 3.66Å; L14-F72 HydrophobicContact CD2-CD1 4.02Å; L14-F72 HydrophobicContact CD2-CG 4.04Å; V15-F72 PolarHBondContact N-O 2.92Å; L26-F72 HydrophobicContact CD2-CZ 4.06Å; I27-F72 HydrophobicContact CD1-CD1 4.16Å; I27-F72 HydrophobicContact CD1-CE1 3.91Å; L30-F72 HydrophobicContact CD1-CD1 4.43Å; L30-F72 HydrophobicContact CD1-CE1 4.07Å; L30-F72 HydrophobicContact CD1-CE2 4.31Å; L30-F72 HydrophobicContact CD1-CZ 4Å; F72-V95 WeakPolarHBondContact CA-O 3.44Å; F72-V95 HydrophobicContact CD2-CB 4.03Å; F72-V95 HydrophobicContact CD2-CG1 3.64Å; F72-V95 HydrophobicContact CE2-CG1 4.08Å; F72-Y97 HydrophobicContact CE2-CD2 4.34Å; F72-Y97 HydrophobicContact CE2-CG 4.24Å; F72-Y97 HydrophobicContact CZ-CD2 4.34Å; F72-Y97 AromaticContact CZ-CG 3.91Å; F72-Y97 HydrophobicContact CZ-CG 3.91Å; F72-L394 HydrophobicContact CB-CD2 3.92Å; F72-L394 HydrophobicContact CD2-CD2 3.76Å; F72-L394 HydrophobicContact CG-CD2 4.18Å
73	S	98.6	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.9	170.1	64.7	0	0	0	0	112.6	V15 V95 L96 Y97	V15-S73 VanDerWaalsContact O-CA 3.24Å; V15-S73 WeakPolarHBondContact O-CA 3.45Å; V15-S73 VanDerWaalsContact O-CB 3.3Å; V15-S73 WeakPolarHBondContact O-CB 3.27Å; S73-V95 PolarHBondContact N-O 2.86Å; S73-L96 WeakPolarHBondContact O-CA 3.47Å; S73-Y97 PolarHBondContact O-N 2.76Å
74	S	97.8	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	159	166.8	73.5	0	0	0	0	111.6	E16 V76 L77 Y97	E16-S74 VanDerWaalsContact CD-OG 3.27Å; E16-S74 PolarHBondContact OE1-OG 3.41Å; E16-S74 WeakPolarHBondContact OE2-CB 3.46Å; E16-S74 PolarHBondContact OE2-OG 3.32Å; E16-S74 VanDerWaalsContact OE2-OG 3.06Å; S74-V76 PolarHBondContact O-N 2.82Å; S74-L77 PolarHBondContact O-N 3.35Å; S74-L77 VanDerWaalsContact O-N 3.15Å; S74-Y97 CarbonylContact C-O 3.59Å; S74-Y97 VanDerWaalsContact CA-O 3.29Å; S74-Y97 WeakPolarHBondContact CA-O 3.47Å
75	S	97.3	Very high	97.4	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.028	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-0.8	176.8	66.6	0	0	0	0	114.8	Y97 E100 Q121	S75-Y97 PolarHBondContact N-O 3.05Å; S75-E100 PolarHBondContact OG-O 3.28Å; S75-Q121 WeakPolarHBondContact O-CG 3.29Å; S75-Q121 PolarHBondContact O-NE2 3.04Å; S75-Q121 PolarHBondContact OG-NE2 3.5Å; S75-Q121 VanDerWaalsContact OG-NE2 3.11Å
76	V	97.3	Very high	97.6	Very high	13 Å²	13	28 Å²	28	8%	0.079	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34	171.6	-179.4	0	0	0	0	110.8	A17 F18 R50 A51 S74	A17-V76 HydrophobicContact CB-CB 4.46Å; A17-V76 HydrophobicContact CB-CG1 4.11Å; F18-V76 HydrophobicContact CB-CB 4.45Å; F18-V76 HydrophobicContact CB-CG1 4.1Å; F18-V76 HydrophobicContact CB-CG2 4.28Å; R50-V76 HydrophobicContact CB-CG1 4.27Å; A51-V76 VanDerWaalsContact CA-O 3.31Å; A51-V76 WeakPolarHBondContact CA-O 3.2Å; A51-V76 HydrophobicContact CB-CG1 4.28Å; S74-V76 PolarHBondContact O-N 2.82Å
77	L	97.9	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.158	C	C	.	.	S	Bend	trans	-72.7	130.5	178.5	-179.2	66.3	0	0	0	110	V15 A17 A54 A55 F58 S74 L79 L82 S124	V15-L77 HydrophobicContact CB-CD2 4.15Å; V15-L77 HydrophobicContact CG1-CD2 3.73Å; A17-L77 HydrophobicContact CB-CB 4.21Å; A17-L77 HydrophobicContact CB-CD1 4.35Å; A54-L77 HydrophobicContact CB-CD1 3.84Å; A55-L77 HydrophobicContact CB-CD1 4.29Å; F58-L77 HydrophobicContact CD2-CD1 3.85Å; F58-L77 HydrophobicContact CE2-CD1 4.23Å; S74-L77 PolarHBondContact O-N 3.35Å; S74-L77 VanDerWaalsContact O-N 3.15Å; L77-L79 VanDerWaalsContact C-N 3.27Å; L77-L79 HydrophobicContact CD2-CD1 4.44Å; L77-L79 PolarHBondContact O-N 2.88Å; L77-L82 HydrophobicContact CD2-CD2 3.88Å; L77-S124 PolarHBondContact O-OG 3.25Å
78	N	98	Very high	97.9	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.159	C	C	.	.			trans	-71.1	88.4	163.4	-170.7	-16.3	0	0	0	109.2	A55 C80 E81 L82 N120	A55-N78 WeakPolarHBondContact CB-O 3.36Å; N78-C80 VanDerWaalsContact C-N 3.28Å; N78-C80 PolarHBondContact O-N 3.12Å; N78-C80 PolarHBondContact OD1-N 3.32Å; N78-E81 HydrophobicContact CB-CB 4.37Å; N78-E81 HydrophobicContact CB-CG 4.47Å; N78-E81 WeakPolarHBondContact ND2-CG 3.41Å; N78-E81 PolarHBondContact ND2-OE1 2.83Å; N78-E81 PolarHBondContact O-N 3Å; N78-E81 PolarHBondContact OD1-N 2.77Å; N78-L82 PolarHBondContact O-N 3.01Å; N78-N120 HydrophobicContact CB-CB 4.36Å; N78-N120 PolarHBondContact ND2-OD1 3.32Å
79	L	98.6	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-34.4	-175.2	-177.7	58.4	0	0	0	111.5	L71 L77 E81 L82 V83 K94 L96 S124 V127 S128	L71-L79 HydrophobicContact CD1-CD1 4.28Å; L71-L79 HydrophobicContact CD2-CD1 3.54Å; L77-L79 VanDerWaalsContact C-N 3.27Å; L77-L79 HydrophobicContact CD2-CD1 4.44Å; L77-L79 PolarHBondContact O-N 2.88Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-E81 PolarHBondContact O-N 3.04Å; L79-L82 PolarHBondContact O-N 2.65Å; L79-V83 HydrophobicContact CD1-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.24Å; L79-V83 WeakPolarHBondContact O-CG2 3.45Å; L79-V83 PolarHBondContact O-N 3.15Å; L79-K94 HydrophobicContact CD2-CB 4.19Å; L79-L96 HydrophobicContact CD2-CD1 4.4Å; L79-S124 PolarHBondContact N-OG 2.93Å; L79-V127 HydrophobicContact CB-CG2 4.36Å; L79-V127 HydrophobicContact CD2-CG2 4.39Å; L79-V127 HydrophobicContact CG-CG2 4.12Å; L79-S128 WeakPolarHBondContact CD2-OG 3.49Å
80	C	98.5	Very high	98	Very high	34 Å²	34	24.4 Å²	24.4	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-45.8	177.9	-175.6	0	0	0	0	111.8	N78 A84 L123 V127	N78-C80 VanDerWaalsContact C-N 3.28Å; N78-C80 PolarHBondContact O-N 3.12Å; N78-C80 PolarHBondContact OD1-N 3.32Å; C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 3.3Å; C80-L123 HydrophobicContact CB-CB 3.96Å; C80-V127 HydrophobicContact CB-CG1 4.05Å; C80-V127 HydrophobicContact CB-CG2 4.06Å
81	E	98.2	Very high	97.9	Very high	73 Å²	73	31.1 Å²	31.1	34%	0.341	18%	0.176	S	C	.	.	H	α-helix	trans	-64.4	-43.6	176.4	-78.7	174.8	-171	0	0	112.1	A55 N78 L79 A84 L85	A55-E81 HydrophobicContact CB-CB 3.64Å; N78-E81 HydrophobicContact CB-CB 4.37Å; N78-E81 HydrophobicContact CB-CG 4.47Å; N78-E81 WeakPolarHBondContact ND2-CG 3.41Å; N78-E81 PolarHBondContact ND2-OE1 2.83Å; N78-E81 PolarHBondContact O-N 3Å; N78-E81 PolarHBondContact OD1-N 2.77Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-E81 PolarHBondContact O-N 3.04Å; E81-A84 PolarHBondContact O-N 3.49Å; E81-L85 VanDerWaalsContact O-CG 3.32Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.96Å
82	L	98.7	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-49.7	-178.3	176.7	59.6	0	0	0	110.9	A55 F58 I62 L71 L77 N78 L79 A84 L85 R86 L89	A55-L82 HydrophobicContact CB-CB 4.06Å; F58-L82 HydrophobicContact CB-CD1 3.99Å; F58-L82 HydrophobicContact CB-CD2 4.39Å; I62-L82 HydrophobicContact CD1-CD2 4.47Å; L71-L82 HydrophobicContact CD1-CD2 4.41Å; L77-L82 HydrophobicContact CD2-CD2 3.88Å; N78-L82 PolarHBondContact O-N 3.01Å; L79-L82 PolarHBondContact O-N 2.65Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.31Å; L82-L85 PolarHBondContact O-N 3.42Å; L82-R86 HydrophobicContact CD1-CG 4.3Å; L82-R86 WeakPolarHBondContact O-CB 3.42Å; L82-R86 PolarHBondContact O-N 3.43Å; L82-L89 HydrophobicContact CD1-CD1 4.24Å; L82-L89 HydrophobicContact CD2-CD1 4.42Å; L82-L89 HydrophobicContact CG-CD1 4.26Å
83	V	98.4	Very high	97.8	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.085	18%	0.183	C	C	.	.	H	α-helix	trans	-71.1	-29.5	-177.8	-57.9	0	0	0	0	112.3	L79 R86 A90 K94 V127	L79-V83 HydrophobicContact CD1-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.24Å; L79-V83 WeakPolarHBondContact O-CG2 3.45Å; L79-V83 PolarHBondContact O-N 3.15Å; V83-R86 CarbonylContact O-C 3.3Å; V83-R86 VanDerWaalsContact O-C 3.3Å; V83-R86 PolarHBondContact O-N 2.75Å; V83-A90 HydrophobicContact CB-CB 4.05Å; V83-K94 HydrophobicContact CG1-CD 4.32Å; V83-V127 HydrophobicContact CG2-CB 4.31Å; V83-V127 HydrophobicContact CG2-CG1 4.5Å; V83-V127 HydrophobicContact CG2-CG2 4.26Å
84	A	98.3	Very high	97.8	Very high	77 Å²	77	33.7 Å²	33.7	64%	0.636	19%	0.187	S	C	*	.	H	α-helix	trans	-66.4	-38	173	0	0	0	0	0	112.2	C80 E81 L82 R86	C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 3.3Å; E81-A84 PolarHBondContact O-N 3.49Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.31Å; A84-R86 VanDerWaalsContact C-N 3.32Å
85	L	98.4	Very high	97.9	Very high	94 Å²	94	33.7 Å²	33.7	49%	0.492	19%	0.187	S	C	.	.	H	α-helix	trans	-78.4	-16.1	175.7	-66.4	172	0	0	0	113.1	L56 E81 L82	L56-L85 HydrophobicContact CD1-CD1 4.32Å; E81-L85 VanDerWaalsContact O-CG 3.32Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.96Å; L82-L85 PolarHBondContact O-N 3.42Å
86	R	98.1	Very high	97.9	Very high	23 Å²	23	33.5 Å²	33.5	9%	0.087	19%	0.186	C	C	.	.			trans	-132.2	81.8	-174.7	-69.8	-65.1	-62.4	-83.9	-8	112.2	S59 I62 L82 V83 A84 D88 L89 A90	S59-R86 PolarHBondContact O-NH1 3.34Å; I62-R86 PolarHBondContact O-NH1 2.87Å; I62-R86 PolarHBondContact O-NH2 3.36Å; L82-R86 HydrophobicContact CD1-CG 4.3Å; L82-R86 WeakPolarHBondContact O-CB 3.42Å; L82-R86 PolarHBondContact O-N 3.43Å; V83-R86 CarbonylContact O-C 3.3Å; V83-R86 VanDerWaalsContact O-C 3.3Å; V83-R86 PolarHBondContact O-N 2.75Å; A84-R86 VanDerWaalsContact C-N 3.32Å; R86-D88 IonicContact CZ-OD1 3.72Å; R86-D88 IonicContact CZ-OD2 3.54Å; R86-D88 IonicContact NE-OD1 2.77Å; R86-D88 PolarHBondContact NE-OD1 2.98Å; R86-D88 IonicContact NE-OD2 3.48Å; R86-D88 IonicContact NH2-OD1 3.39Å; R86-D88 PolarHBondContact NH2-OD1 2.97Å; R86-D88 IonicContact NH2-OD2 3.57Å; R86-D88 PolarHBondContact NH2-OD2 3.44Å; R86-D88 PolarHBondContact O-N 3.05Å; R86-D88 VanDerWaalsContact O-N 3.11Å; R86-L89 HydrophobicContact CB-CB 3.94Å; R86-L89 HydrophobicContact CB-CD1 3.76Å; R86-L89 HydrophobicContact CB-CG 3.78Å; R86-L89 HydrophobicContact CG-CD1 4.05Å; R86-L89 HydrophobicContact CG-CG 4.47Å; R86-L89 WeakPolarHBondContact O-CA 3.5Å; R86-L89 WeakPolarHBondContact O-CB 3.1Å; R86-L89 PolarHBondContact O-N 3.32Å; R86-A90 PolarHBondContact O-N 3.24Å
87	P	96.6	Very high	98	Very high	99 Å²	99	32.9 Å²	32.9	64%	0.643	18%	0.182	S	C	*	.	H	α-helix	trans	-55.6	-29.8	177.8	-26.7	35.3	0	0	0	114	L89 A90	P87-L89 VanDerWaalsContact C-N 3.29Å; P87-L89 PolarHBondContact O-N 3.26Å; P87-A90 PolarHBondContact O-N 3.15Å
88	D	97.1	Very high	98	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.193	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-24.7	175.6	66.5	-58.8	0	0	0	113.5	R86 R91	R86-D88 IonicContact CZ-OD1 3.72Å; R86-D88 IonicContact CZ-OD2 3.54Å; R86-D88 IonicContact NE-OD1 2.77Å; R86-D88 PolarHBondContact NE-OD1 2.98Å; R86-D88 IonicContact NE-OD2 3.48Å; R86-D88 IonicContact NH2-OD1 3.39Å; R86-D88 PolarHBondContact NH2-OD1 2.97Å; R86-D88 IonicContact NH2-OD2 3.57Å; R86-D88 PolarHBondContact NH2-OD2 3.44Å; R86-D88 PolarHBondContact O-N 3.05Å; R86-D88 VanDerWaalsContact O-N 3.11Å; D88-R91 WeakPolarHBondContact O-CG 3.23Å; D88-R91 PolarHBondContact O-NE 2.93Å
89	L	98.1	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-89.5	-29.2	172.5	-59.5	-176.1	0	0	0	112.2	L13 I62 Y68 L71 L82 R86 P87 R91 L92	L13-L89 HydrophobicContact CD2-CD1 4.42Å; L13-L89 HydrophobicContact CD2-CD2 3.77Å; I62-L89 HydrophobicContact CG2-CD1 4.43Å; Y68-L89 HydrophobicContact CD2-CD2 4.42Å; L71-L89 HydrophobicContact CD1-CB 4.15Å; L71-L89 HydrophobicContact CD1-CD1 4.32Å; L82-L89 HydrophobicContact CD1-CD1 4.24Å; L82-L89 HydrophobicContact CD2-CD1 4.42Å; L82-L89 HydrophobicContact CG-CD1 4.26Å; R86-L89 HydrophobicContact CB-CB 3.94Å; R86-L89 HydrophobicContact CB-CD1 3.76Å; R86-L89 HydrophobicContact CB-CG 3.78Å; R86-L89 HydrophobicContact CG-CD1 4.05Å; R86-L89 HydrophobicContact CG-CG 4.47Å; R86-L89 WeakPolarHBondContact O-CA 3.5Å; R86-L89 WeakPolarHBondContact O-CB 3.1Å; R86-L89 PolarHBondContact O-N 3.32Å; P87-L89 VanDerWaalsContact C-N 3.29Å; P87-L89 PolarHBondContact O-N 3.26Å; L89-R91 PolarHBondContact O-N 2.86Å; L89-L92 HydrophobicContact CB-CD1 4.41Å; L89-L92 HydrophobicContact CD2-CD1 3.78Å; L89-L92 VanDerWaalsContact O-CB 3.3Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 VanDerWaalsContact O-CG 3.28Å; L89-L92 WeakPolarHBondContact O-CG 3.23Å; L89-L92 PolarHBondContact O-N 3.13Å
90	A	97.5	Very high	97.8	Very high	38 Å²	38	35.7 Å²	35.7	31%	0.314	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-30.9	179.7	0	0	0	0	0	113.6	V83 R86 P87 L92 K94	V83-A90 HydrophobicContact CB-CB 4.05Å; R86-A90 PolarHBondContact O-N 3.24Å; P87-A90 PolarHBondContact O-N 3.15Å; A90-L92 VanDerWaalsContact C-N 3.28Å; A90-L92 PolarHBondContact O-N 2.83Å; A90-K94 PolarHBondContact O-NZ 3.1Å
91	R	95.8	Very high	97.6	Very high	143 Å²	143	34 Å²	34	54%	0.54	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.3	177.2	74.6	-170.4	175.3	106.5	2.4	114.5	D88 L89	D88-R91 WeakPolarHBondContact O-CG 3.23Å; D88-R91 PolarHBondContact O-NE 2.93Å; L89-R91 PolarHBondContact O-N 2.86Å
92	L	97.4	Very high	97.4	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-74.1	156.8	-178.2	-54.6	-177.4	0	0	0	110.1	Y68 R69 L71 L89 A90 K94	Y68-L92 VanDerWaalsContact C-CD2 3.5Å; Y68-L92 WeakPolarHBondContact O-CD2 3.41Å; R69-L92 WeakPolarHBondContact O-CA 3.31Å; L71-L92 HydrophobicContact CB-CB 4.26Å; L71-L92 HydrophobicContact CB-CD1 4.06Å; L89-L92 HydrophobicContact CB-CD1 4.41Å; L89-L92 HydrophobicContact CD2-CD1 3.78Å; L89-L92 VanDerWaalsContact O-CB 3.3Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 VanDerWaalsContact O-CG 3.28Å; L89-L92 WeakPolarHBondContact O-CG 3.23Å; L89-L92 PolarHBondContact O-N 3.13Å; A90-L92 VanDerWaalsContact C-N 3.28Å; A90-L92 PolarHBondContact O-N 2.83Å; L92-K94 WeakPolarHBondContact O-CG 3.45Å; L92-K94 PolarHBondContact O-N 3.2Å; L92-K94 PolarHBondContact O-NZ 3.17Å
93	K	97.8	Very high	97.1	Very high	29 Å²	29	33.3 Å²	33.3	13%	0.126	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	122.8	164	-177.1	-172.2	-174.7	-174.4	0	108.3	R69 V70 L71 D129 A392 L393 S395 E397	R69-K93 PolarHBondContact O-N 2.85Å; V70-K93 CarbonylContact C-O 3.58Å; V70-K93 WeakPolarHBondContact CA-O 3.32Å; V70-K93 HydrophobicContact CG1-CB 4.42Å; V70-K93 HydrophobicContact CG2-CB 4.18Å; V70-K93 HydrophobicContact CG2-CD 4.31Å; L71-K93 PolarHBondContact N-O 2.72Å; K93-D129 VanDerWaalsContact CA-OD2 3.27Å; K93-D129 WeakPolarHBondContact CA-OD2 3.39Å; K93-D129 HydrophobicContact CG-CB 4.45Å; K93-A392 PolarHBondContact NZ-O 3.29Å; K93-L393 WeakPolarHBondContact CE-O 3.42Å; K93-L393 PolarHBondContact NZ-O 3.2Å; K93-S395 WeakPolarHBondContact CD-O 3.32Å; K93-S395 PolarHBondContact NZ-O 3.33Å; K93-E397 PolarHBondContact NZ-O 2.88Å
94	K	98.5	Very high	96.6	Very high	21 Å²	21	34.2 Å²	34.2	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.1	-173.1	-64.9	148.7	-55.7	-75.4	0	109.2	L71 L79 V83 A90 L92 V127 D129 A130	L71-K94 WeakPolarHBondContact O-CA 3.46Å; L79-K94 HydrophobicContact CD2-CB 4.19Å; V83-K94 HydrophobicContact CG1-CD 4.32Å; A90-K94 PolarHBondContact O-NZ 3.1Å; L92-K94 WeakPolarHBondContact O-CG 3.45Å; L92-K94 PolarHBondContact O-N 3.2Å; L92-K94 PolarHBondContact O-NZ 3.17Å; K94-V127 VanDerWaalsContact CD-O 3.28Å; K94-V127 WeakPolarHBondContact CD-O 3.31Å; K94-V127 WeakPolarHBondContact CE-O 3.43Å; K94-D129 WeakPolarHBondContact CE-OD2 3.35Å; K94-D129 PolarHBondContact N-OD2 3.14Å; K94-D129 IonicContact NZ-OD1 3.14Å; K94-D129 PolarHBondContact NZ-OD1 2.97Å; K94-D129 IonicContact NZ-OD2 2.72Å; K94-D129 PolarHBondContact NZ-OD2 3.18Å; K94-D129 PolarHBondContact O-N 3.13Å; K94-A130 PolarHBondContact O-N 2.76Å; K94-A130 VanDerWaalsContact O-N 3.12Å
95	V	98.8	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.2	177.4	-179.6	0	0	0	0	108.6	V70 L71 F72 S73 A130 L393	V70-V95 HydrophobicContact CG1-CG2 4.07Å; L71-V95 PolarHBondContact O-N 2.64Å; F72-V95 WeakPolarHBondContact CA-O 3.44Å; F72-V95 HydrophobicContact CD2-CB 4.03Å; F72-V95 HydrophobicContact CD2-CG1 3.64Å; F72-V95 HydrophobicContact CE2-CG1 4.08Å; S73-V95 PolarHBondContact N-O 2.86Å; V95-A130 WeakPolarHBondContact CA-O 3.49Å; V95-L393 HydrophobicContact CG1-CD1 4.1Å; V95-L393 HydrophobicContact CG1-CD2 3.59Å; V95-L393 HydrophobicContact CG1-CG 3.66Å; V95-L393 HydrophobicContact CG2-CD1 4.45Å; V95-L393 HydrophobicContact CG2-CG 4.24Å
96	L	98.8	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.8	177.8	-172.8	66.8	0	0	0	109.7	S73 L79 F98 S128 A130 V131 A132	S73-L96 WeakPolarHBondContact O-CA 3.47Å; L79-L96 HydrophobicContact CD2-CD1 4.4Å; L96-F98 HydrophobicContact CD2-CE2 3.63Å; L96-F98 HydrophobicContact CD2-CZ 4.3Å; L96-F98 HydrophobicContact CG-CD2 4.39Å; L96-F98 HydrophobicContact CG-CE2 3.92Å; L96-S128 VanDerWaalsContact CB-OG 3.31Å; L96-S128 WeakPolarHBondContact CB-OG 3.47Å; L96-A130 PolarHBondContact N-O 3.46Å; L96-V131 CarbonylContact O-C 3.47Å; L96-V131 WeakPolarHBondContact O-CA 3.38Å; L96-A132 PolarHBondContact O-N 3.41Å
97	Y	98.8	Very high	93.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126	-177.9	-171.4	-84.9	0	0	0	112.3	L26 F72 S73 S74 S75 H99 A132 L172 Y174 F390	L26-Y97 HydrophobicContact CD2-CD1 3.67Å; L26-Y97 HydrophobicContact CD2-CD2 4.45Å; L26-Y97 HydrophobicContact CD2-CE1 3.63Å; L26-Y97 HydrophobicContact CD2-CE2 4.42Å; L26-Y97 HydrophobicContact CD2-CG 4.1Å; F72-Y97 HydrophobicContact CE2-CD2 4.34Å; F72-Y97 HydrophobicContact CE2-CG 4.24Å; F72-Y97 HydrophobicContact CZ-CD2 4.34Å; F72-Y97 AromaticContact CZ-CG 3.91Å; F72-Y97 HydrophobicContact CZ-CG 3.91Å; S73-Y97 PolarHBondContact O-N 2.76Å; S74-Y97 CarbonylContact C-O 3.59Å; S74-Y97 VanDerWaalsContact CA-O 3.29Å; S74-Y97 WeakPolarHBondContact CA-O 3.47Å; S75-Y97 PolarHBondContact N-O 3.05Å; Y97-H99 AromaticContact CD1-CD2 3.67Å; Y97-H99 AromaticContact CD1-NE2 3.63Å; Y97-H99 AromaticContact CE1-CD2 3.94Å; Y97-H99 AromaticContact CE1-CE1 3.86Å; Y97-H99 AromaticContact CE1-NE2 3.81Å; Y97-A132 CarbonylContact C-O 3.55Å; Y97-A132 WeakPolarHBondContact CA-O 3.42Å; Y97-A132 HydrophobicContact CD2-CB 3.68Å; Y97-A132 HydrophobicContact CE2-CB 4.28Å; Y97-L172 PolarHBondContact OH-O 3.44Å; Y97-Y174 VanDerWaalsContact OH-CA 3.3Å; Y97-Y174 WeakPolarHBondContact OH-CA 3.48Å; Y97-Y174 PolarHBondContact OH-N 3.39Å; Y97-F390 HydrophobicContact CD2-CE1 4.39Å; Y97-F390 HydrophobicContact CE2-CE1 4.11Å; Y97-F390 AromaticContact CE2-CZ 3.93Å; Y97-F390 HydrophobicContact CE2-CZ 3.93Å
98	F	98.6	Very high	91.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.4	178.6	-82	-109.3	0	0	0	111.1	L96 E100 N101 Q121 C125 V131 A132 F133 N134 N138 F142	L96-F98 HydrophobicContact CD2-CE2 3.63Å; L96-F98 HydrophobicContact CD2-CZ 4.3Å; L96-F98 HydrophobicContact CG-CD2 4.39Å; L96-F98 HydrophobicContact CG-CE2 3.92Å; F98-E100 WeakPolarHBondContact CD1-O 3.4Å; F98-N101 HydrophobicContact CD1-CB 3.88Å; F98-N101 HydrophobicContact CE1-CB 4.1Å; F98-Q121 HydrophobicContact CE1-CB 4.12Å; F98-Q121 HydrophobicContact CE1-CG 4.1Å; F98-Q121 HydrophobicContact CZ-CB 4.06Å; F98-Q121 HydrophobicContact CZ-CG 4.29Å; F98-C125 VanDerWaalsContact CE2-SG 3.53Å; F98-C125 WeakPolarHBondContact CZ-SG 3.46Å; F98-V131 HydrophobicContact CD2-CG1 3.76Å; F98-V131 HydrophobicContact CE2-CG1 3.56Å; F98-A132 PolarHBondContact N-O 3.06Å; F98-F133 HydrophobicContact CB-CD1 3.55Å; F98-F133 HydrophobicContact CB-CE1 3.88Å; F98-F133 HydrophobicContact CB-CG 4.19Å; F98-F133 HydrophobicContact CD1-CD1 4.16Å; F98-F133 AromaticContact CD1-CE1 3.63Å; F98-F133 HydrophobicContact CD1-CE1 3.63Å; F98-F133 HydrophobicContact CD1-CZ 4.38Å; F98-F133 HydrophobicContact CD2-CD1 4.28Å; F98-F133 AromaticContact CD2-CE1 3.87Å; F98-F133 HydrophobicContact CD2-CE1 3.87Å; F98-F133 HydrophobicContact CD2-CZ 4Å; F98-F133 HydrophobicContact CE1-CE1 4.09Å; F98-F133 HydrophobicContact CE2-CE1 4.32Å; F98-F133 HydrophobicContact CE2-CZ 4.17Å; F98-F133 AromaticContact CG-CD1 3.76Å; F98-F133 HydrophobicContact CG-CD1 3.76Å; F98-F133 AromaticContact CG-CE1 3.51Å; F98-F133 HydrophobicContact CG-CE1 3.51Å; F98-F133 HydrophobicContact CG-CZ 4.13Å; F98-F133 HydrophobicContact CZ-CE1 4.42Å; F98-F133 HydrophobicContact CZ-CZ 4.43Å; F98-N134 PolarHBondContact O-N 3.27Å; F98-N138 PolarHBondContact O-ND2 3.24Å; F98-F142 HydrophobicContact CE1-CD2 4.23Å; F98-F142 HydrophobicContact CE1-CE2 4.07Å; F98-F142 HydrophobicContact CE1-CZ 4.33Å; F98-F142 HydrophobicContact CZ-CE1 4.49Å; F98-F142 HydrophobicContact CZ-CE2 4.37Å; F98-F142 HydrophobicContact CZ-CZ 4.18Å
99	H	96.8	Very high	89.9	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.051	21%	0.209	C	C	.	.	S	Bend	trans	-73.2	-36.4	160.8	-68.2	-93.3	0	0	0	111	H23 Y97 N134 Y174	H23-H99 AromaticContact CD2-CD2 3.84Å; H23-H99 AromaticContact CD2-CG 3.79Å; H23-H99 AromaticContact CE1-CD2 3.3Å; H23-H99 PolarHBondContact CE1-CD2 2.93Å; H23-H99 AromaticContact CE1-CG 3.77Å; H23-H99 AromaticContact CG-CD2 3.83Å; H23-H99 AromaticContact CG-NE2 3.85Å; H23-H99 AromaticContact ND1-CD2 3.5Å; H23-H99 PolarHBondContact ND1-CD2 3.2Å; H23-H99 AromaticContact ND1-NE2 3.77Å; H23-H99 AromaticContact NE2-CD2 3.52Å; H23-H99 AromaticContact NE2-CG 3.49Å; Y97-H99 AromaticContact CD1-CD2 3.67Å; Y97-H99 AromaticContact CD1-NE2 3.63Å; Y97-H99 AromaticContact CE1-CD2 3.94Å; Y97-H99 AromaticContact CE1-CE1 3.86Å; Y97-H99 AromaticContact CE1-NE2 3.81Å; H99-N134 PolarHBondContact O-ND2 3.27Å; H99-Y174 AromaticContact CE1-CE2 3.83Å
100	E	93.9	Very high	88.3	Confident	52 Å²	52	48.8 Å²	48.8	24%	0.243	24%	0.236	C	C	.	.			trans	-153	155	-178.3	57.6	-179	-141.9	0	0	110.2	S75 F98 Q102 Q121 F316	S75-E100 PolarHBondContact OG-O 3.28Å; F98-E100 WeakPolarHBondContact CD1-O 3.4Å; E100-Q102 PolarHBondContact OE1-NE2 3.16Å; E100-Q121 PolarHBondContact O-NE2 2.9Å; E100-F316 VanDerWaalsContact CA-CD2 3.46Å; E100-F316 HydrophobicContact CB-CD2 3.5Å; E100-F316 VanDerWaalsContact CB-CD2 3.5Å; E100-F316 HydrophobicContact CB-CE2 3.56Å
101	N	94.3	Very high	86.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.245	C	C	.	.			trans	-118.4	134.1	173.8	86.6	77.1	0	0	0	111.4	F98 L103 A104 Y105 N138 S141 F142 F316	F98-N101 HydrophobicContact CD1-CB 3.88Å; F98-N101 HydrophobicContact CE1-CB 4.1Å; N101-L103 PolarHBondContact O-N 2.75Å; N101-L103 PolarHBondContact OD1-N 3.4Å; N101-A104 WeakPolarHBondContact OD1-CB 3.45Å; N101-A104 PolarHBondContact OD1-N 3.44Å; N101-Y105 PolarHBondContact O-N 2.94Å; N101-N138 WeakPolarHBondContact CB-OD1 3.46Å; N101-N138 PolarHBondContact ND2-O 3.22Å; N101-N138 PolarHBondContact ND2-OD1 3.23Å; N101-S141 PolarHBondContact ND2-OG 3.43Å; N101-S141 VanDerWaalsContact ND2-OG 3.16Å; N101-F142 HydrophobicContact CB-CB 3.98Å; N101-F142 HydrophobicContact CB-CD2 3.72Å; N101-F142 HydrophobicContact CB-CG 4.21Å; N101-F316 HydrophobicContact CB-CZ 4.41Å; N101-F316 VanDerWaalsContact N-CE2 3.35Å; N101-F316 WeakPolarHBondContact ND2-CE1 3.33Å; N101-F316 VanDerWaalsContact ND2-CZ 3.26Å; N101-F316 WeakPolarHBondContact ND2-CZ 3.48Å; N101-F316 WeakPolarHBondContact O-CZ 3.44Å
102	Q	93.9	Very high	85.1	Confident	32 Å²	32	54.3 Å²	54.3	15%	0.15	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.4	-174.4	-58.2	-58.3	-44.2	0	0	112.6	E100	E100-Q102 PolarHBondContact OE1-NE2 3.16Å
103	L	93.3	Very high	83.6	Confident	26 Å²	26	61.5 Å²	61.5	14%	0.136	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-29	176.6	-56.4	-166.9	0	0	0	112.3	N101 G118 V122 F142 I146 F149	N101-L103 PolarHBondContact O-N 2.75Å; N101-L103 PolarHBondContact OD1-N 3.4Å; L103-G118 VanDerWaalsContact CD2-CA 3.47Å; L103-V122 HydrophobicContact CD1-CG2 4.28Å; L103-F142 HydrophobicContact CB-CD2 4.2Å; L103-F142 HydrophobicContact CD1-CD2 3.57Å; L103-F142 HydrophobicContact CD1-CE2 3.53Å; L103-F142 HydrophobicContact CD1-CG 4.4Å; L103-F142 HydrophobicContact CD1-CZ 4.31Å; L103-F142 HydrophobicContact CG-CD2 3.68Å; L103-F142 HydrophobicContact CG-CE2 3.71Å; L103-I146 HydrophobicContact CD1-CG1 3.78Å; L103-F149 HydrophobicContact CD1-CB 4.47Å; L103-F149 HydrophobicContact CD2-CB 4.1Å; L103-F149 HydrophobicContact CD2-CD1 3.69Å; L103-F149 HydrophobicContact CD2-CD2 3.51Å; L103-F149 HydrophobicContact CD2-CE1 3.85Å; L103-F149 HydrophobicContact CD2-CE2 3.67Å; L103-F149 HydrophobicContact CD2-CG 3.49Å; L103-F149 VanDerWaalsContact CD2-CG 3.49Å; L103-F149 HydrophobicContact CD2-CZ 3.81Å
104	A	88.1	Confident	82.7	Confident	32 Å²	32	61.7 Å²	61.7	26%	0.264	29%	0.291	S	S	.	.	S	Bend	trans	-108.7	0.6	178.9	0	0	0	0	0	113.4	N101 H314 F316	N101-A104 WeakPolarHBondContact OD1-CB 3.45Å; N101-A104 PolarHBondContact OD1-N 3.44Å; A104-H314 PolarHBondContact O-CE1 2.92Å; A104-F316 HydrophobicContact CB-CE1 4.33Å; A104-F316 HydrophobicContact CB-CZ 4.2Å
105	Y	82.3	Confident	82.2	Confident	60 Å²	60	63.1 Å²	63.1	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-72.5	131.8	176.6	-152.8	-80.2	0	0	0	110.6	N101 V107 H314 F316	N101-Y105 PolarHBondContact O-N 2.94Å; Y105-V107 PolarHBondContact O-N 3.22Å; Y105-V107 VanDerWaalsContact O-N 3.16Å; Y105-H314 AromaticContact CD2-CD2 3.63Å; Y105-H314 AromaticContact CD2-CE1 3.99Å; Y105-H314 AromaticContact CD2-NE2 3.1Å; Y105-H314 WeakPolarHBondContact CD2-NE2 3.44Å; Y105-H314 AromaticContact CE2-CD2 3.48Å; Y105-H314 VanDerWaalsContact CE2-CD2 3.48Å; Y105-H314 WeakPolarHBondContact CE2-CD2 3.27Å; Y105-H314 AromaticContact CE2-NE2 3.43Å; Y105-H314 WeakPolarHBondContact CE2-NE2 3.13Å; Y105-H314 AromaticContact CG-NE2 3.79Å; Y105-H314 AromaticContact CZ-CD2 3.99Å; Y105-F316 HydrophobicContact CD2-CE2 4.31Å
106	P	71.5	Confident	81.8	Confident	63 Å²	63	66 Å²	66	41%	0.409	31%	0.31	S	S	.	.			trans	-69.3	113.5	-179.1	26.7	-34.7	0	0	0	111.3	H314	P106-H314 VanDerWaalsContact CD-CG 3.45Å; P106-H314 WeakPolarHBondContact CD-ND1 3.33Å; P106-H314 HydrophobicContact CG-CB 3.92Å
107	V	68.1	Low	81.6	Confident	76 Å²	76	66.7 Å²	66.7	46%	0.461	31%	0.313	S	S	.	.			trans	-88.9	123.7	174.5	-168.3	0	0	0	0	109.4	Y105 K109 D114	Y105-V107 PolarHBondContact O-N 3.22Å; Y105-V107 VanDerWaalsContact O-N 3.16Å; V107-K109 VanDerWaalsContact CG1-O 3.26Å; V107-K109 WeakPolarHBondContact CG1-O 3.46Å; V107-D114 WeakPolarHBondContact CG1-OD2 3.45Å
108	R	62.6	Low	81.4	Confident	165 Å²	165	66.7 Å²	66.7	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-73.7	-31.6	178.5	-63.2	-168.3	-164.1	169	17	113.2	H238	R108-H238 PolarHBondContact NH1-CD2 3.32Å; R108-H238 PolarHBondContact NH1-NE2 2.98Å; R108-H238 PolarHBondContact NH2-CD2 2.8Å
109	K	63.8	Low	81.2	Confident	166 Å²	166	70.9 Å²	70.9	72%	0.722	33%	0.33	S	S	*	.	S	Bend	trans	-144.5	111.2	175.8	-69	-175.7	179.1	179.8	0	107.8	V107 Q111	V107-K109 VanDerWaalsContact CG1-O 3.26Å; V107-K109 WeakPolarHBondContact CG1-O 3.46Å; K109-Q111 PolarHBondContact O-N 3.23Å; K109-Q111 VanDerWaalsContact O-N 3.16Å
110	D	63.9	Low	81.2	Confident	107 Å²	107	70.9 Å²	70.9	57%	0.572	33%	0.33	S	S	*	.			trans	-65.5	112.2	-179.9	-158.4	8.8	0	0	0	109.1	K152	D110-K152 IonicContact OD1-NZ 2.81Å; D110-K152 PolarHBondContact OD1-NZ 3.09Å; D110-K152 VanDerWaalsContact OD1-NZ 3.14Å; D110-K152 IonicContact OD2-NZ 2.74Å; D110-K152 PolarHBondContact OD2-NZ 2.96Å
111	Q	63.2	Low	81.4	Confident	108 Å²	108	68.6 Å²	68.6	51%	0.505	32%	0.319	S	S	.	.			trans	-107.1	150.2	172.5	-60.9	-172.7	10	0	0	109.7	K109 R113 D114	K109-Q111 PolarHBondContact O-N 3.23Å; K109-Q111 VanDerWaalsContact O-N 3.16Å; Q111-R113 HydrophobicContact CB-CB 4.45Å; Q111-R113 PolarHBondContact O-N 3.24Å; Q111-D114 PolarHBondContact N-OD2 3.3Å; Q111-D114 VanDerWaalsContact O-CB 3.32Å; Q111-D114 WeakPolarHBondContact O-CB 3.44Å; Q111-D114 PolarHBondContact O-N 3.1Å
112	E	63.4	Low	81.6	Confident	188 Å²	188	68.6 Å²	68.6	88%	0.879	32%	0.319	S	S	*	.	H	α-helix	trans	-53	-31	173.8	-69.1	-174.5	161.5	0	0	112.6	D114 F115	E112-D114 PolarHBondContact O-N 3.41Å; E112-F115 WeakPolarHBondContact O-CB 3.46Å; E112-F115 PolarHBondContact O-N 3.06Å
113	R	65.1	Low	81.8	Confident	156 Å²	156	69.1 Å²	69.1	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-24.3	176.7	-75.4	-171.2	-176.2	179.5	3.7	114	R52 Q111 Q116 Y117	R52-R113 VanDerWaalsContact NH2-CG 3.31Å; R52-R113 PolarHBondContact NH2-O 2.76Å; Q111-R113 HydrophobicContact CB-CB 4.45Å; Q111-R113 PolarHBondContact O-N 3.24Å; R113-Q116 PolarHBondContact O-N 2.87Å; R113-Y117 WeakPolarHBondContact O-CE2 3.22Å
114	D	78.6	Confident	82.1	Confident	33 Å²	33	67.9 Å²	67.9	18%	0.176	32%	0.317	C	S	.	.	H	α-helix	trans	-77.3	-28.3	-179.1	-59	-28.7	0	0	0	111.4	V107 Q111 E112 Q116 Y117	V107-D114 WeakPolarHBondContact CG1-OD2 3.45Å; Q111-D114 PolarHBondContact N-OD2 3.3Å; Q111-D114 VanDerWaalsContact O-CB 3.32Å; Q111-D114 WeakPolarHBondContact O-CB 3.44Å; Q111-D114 PolarHBondContact O-N 3.1Å; E112-D114 PolarHBondContact O-N 3.41Å; D114-Q116 PolarHBondContact O-N 2.85Å; D114-Y117 PolarHBondContact O-N 3.33Å
115	F	88.6	Confident	82.6	Confident	50 Å²	50	66.4 Å²	66.4	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-36.7	171.8	-178.9	-98.2	0	0	0	111.8	E112 Y117 Y119 F149 K152 I153	E112-F115 WeakPolarHBondContact O-CB 3.46Å; E112-F115 PolarHBondContact O-N 3.06Å; F115-Y117 VanDerWaalsContact C-N 3.28Å; F115-Y117 PolarHBondContact O-N 3.15Å; F115-Y119 HydrophobicContact CE1-CD2 4.08Å; F115-Y119 HydrophobicContact CE1-CG 4.09Å; F115-Y119 HydrophobicContact CZ-CD2 4.09Å; F115-Y119 HydrophobicContact CZ-CG 4.46Å; F115-Y119 WeakPolarHBondContact O-CB 3.47Å; F115-Y119 PolarHBondContact O-N 3.38Å; F115-F149 HydrophobicContact CD2-CD1 4.46Å; F115-F149 AromaticContact CD2-CE1 3.76Å; F115-F149 HydrophobicContact CD2-CE1 3.76Å; F115-F149 AromaticContact CD2-CE2 3.93Å; F115-F149 HydrophobicContact CD2-CE2 3.93Å; F115-F149 AromaticContact CD2-CZ 3.47Å; F115-F149 HydrophobicContact CD2-CZ 3.47Å; F115-F149 VanDerWaalsContact CD2-CZ 3.47Å; F115-F149 AromaticContact CE2-CD1 3.98Å; F115-F149 HydrophobicContact CE2-CD1 3.98Å; F115-F149 AromaticContact CE2-CE1 3.51Å; F115-F149 HydrophobicContact CE2-CE1 3.51Å; F115-F149 HydrophobicContact CE2-CE2 4.38Å; F115-F149 AromaticContact CE2-CZ 3.76Å; F115-F149 HydrophobicContact CE2-CZ 3.76Å; F115-F149 HydrophobicContact CG-CZ 4.13Å; F115-F149 HydrophobicContact CZ-CE1 4.13Å; F115-F149 VanDerWaalsContact O-CZ 3.24Å; F115-F149 WeakPolarHBondContact O-CZ 3.47Å; F115-K152 HydrophobicContact CD2-CB 3.92Å; F115-K152 HydrophobicContact CD2-CD 4.11Å; F115-K152 HydrophobicContact CE2-CB 3.94Å; F115-I153 HydrophobicContact CE1-CG1 4.34Å; F115-I153 HydrophobicContact CE2-CG1 4.11Å; F115-I153 HydrophobicContact CZ-CD1 4.02Å; F115-I153 HydrophobicContact CZ-CG1 3.5Å; F115-I153 VanDerWaalsContact CZ-CG1 3.5Å
116	Q	90.9	Very high	83.4	Confident	61 Å²	61	66.4 Å²	66.4	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-35.8	-178.5	-170.7	176	7.1	0	0	112.4	R113 D114 Y119 N120	R113-Q116 PolarHBondContact O-N 2.87Å; D114-Q116 PolarHBondContact O-N 2.85Å; Q116-Y119 PolarHBondContact O-N 3.33Å; Q116-N120 WeakPolarHBondContact O-CB 3.05Å; Q116-N120 PolarHBondContact O-N 3.49Å; Q116-N120 PolarHBondContact O-OD1 2.68Å; Q116-N120 VanDerWaalsContact O-OD1 3.07Å
117	Y	93	Very high	84.7	Confident	14 Å²	14	65.4 Å²	65.4	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-73	-45.5	-174.1	-48.8	-55.8	0	0	0	112.4	W47 H48 A51 R52 R113 D114 F115 Y119 N120 Q121	W47-Y117 HydrophobicContact CH2-CD1 4.36Å; W47-Y117 AromaticContact CH2-CD2 3.58Å; W47-Y117 HydrophobicContact CH2-CD2 3.58Å; W47-Y117 AromaticContact CH2-CE2 3.83Å; W47-Y117 HydrophobicContact CH2-CE2 3.83Å; W47-Y117 AromaticContact CH2-CG 3.9Å; W47-Y117 HydrophobicContact CH2-CG 3.9Å; W47-Y117 AromaticContact CZ3-CD1 3.87Å; W47-Y117 HydrophobicContact CZ3-CD1 3.87Å; W47-Y117 AromaticContact CZ3-CD2 3.94Å; W47-Y117 HydrophobicContact CZ3-CD2 3.94Å; W47-Y117 HydrophobicContact CZ3-CE1 4.17Å; W47-Y117 HydrophobicContact CZ3-CE2 4.25Å; W47-Y117 AromaticContact CZ3-CG 3.77Å; W47-Y117 HydrophobicContact CZ3-CG 3.77Å; H48-Y117 HydrophobicContact CB-CE1 4.36Å; H48-Y117 WeakPolarHBondContact CB-OH 3.46Å; H48-Y117 AromaticContact CD2-CE2 3.62Å; H48-Y117 AromaticContact CD2-CZ 3.53Å; H48-Y117 PolarHBondContact CD2-OH 3.46Å; H48-Y117 VanDerWaalsContact CD2-OH 3.27Å; A51-Y117 HydrophobicContact CB-CD1 3.74Å; A51-Y117 HydrophobicContact CB-CE1 4.07Å; R52-Y117 HydrophobicContact CG-CE1 4.22Å; R52-Y117 PolarHBondContact NE-OH 3.35Å; R52-Y117 PolarHBondContact NH2-OH 2.99Å; R52-Y117 VanDerWaalsContact NH2-OH 3.1Å; R113-Y117 WeakPolarHBondContact O-CE2 3.22Å; D114-Y117 PolarHBondContact O-N 3.33Å; F115-Y117 VanDerWaalsContact C-N 3.28Å; F115-Y117 PolarHBondContact O-N 3.15Å; Y117-Y119 VanDerWaalsContact C-N 3.29Å; Y117-Y119 PolarHBondContact O-N 3.03Å; Y117-N120 PolarHBondContact O-N 3.17Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 VanDerWaalsContact O-N 3.1Å
118	G	95	Very high	86.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-40.1	172.5	0	0	0	0	0	112	L103 Q121 V122	L103-G118 VanDerWaalsContact CD2-CA 3.47Å; G118-Q121 PolarHBondContact O-N 3.35Å; G118-V122 WeakPolarHBondContact O-CG2 3.41Å; G118-V122 PolarHBondContact O-N 2.84Å; G118-V122 VanDerWaalsContact O-N 3.1Å
119	Y	95.8	Very high	87.8	Confident	89 Å²	89	57.8 Å²	57.8	35%	0.349	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-46	176.9	-176.7	-105.8	0	0	0	112	F115 Q116 Y117 Q121 V122 L123 M150	F115-Y119 HydrophobicContact CE1-CD2 4.08Å; F115-Y119 HydrophobicContact CE1-CG 4.09Å; F115-Y119 HydrophobicContact CZ-CD2 4.09Å; F115-Y119 HydrophobicContact CZ-CG 4.46Å; F115-Y119 WeakPolarHBondContact O-CB 3.47Å; F115-Y119 PolarHBondContact O-N 3.38Å; Q116-Y119 PolarHBondContact O-N 3.33Å; Y117-Y119 VanDerWaalsContact C-N 3.29Å; Y117-Y119 PolarHBondContact O-N 3.03Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Y119-Q121 PolarHBondContact O-N 2.87Å; Y119-V122 PolarHBondContact O-N 3.1Å; Y119-L123 HydrophobicContact CD1-CD1 3.94Å; Y119-L123 HydrophobicContact CD1-CG 4.33Å; Y119-L123 HydrophobicContact CE1-CD1 3.34Å; Y119-L123 HydrophobicContact CE1-CG 3.95Å; Y119-L123 HydrophobicContact CE2-CD2 4.47Å; Y119-L123 HydrophobicContact CE2-CG 4.44Å; Y119-L123 PolarHBondContact O-N 2.82Å; Y119-M150 HydrophobicContact CD2-CE 4.32Å
120	N	96.4	Very high	89.5	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-39.7	176.4	-71.3	1.9	0	0	0	112	A51 N78 Q116 Y117 S124	A51-N120 PolarHBondContact O-ND2 3.22Å; N78-N120 HydrophobicContact CB-CB 4.36Å; N78-N120 PolarHBondContact ND2-OD1 3.32Å; Q116-N120 WeakPolarHBondContact O-CB 3.05Å; Q116-N120 PolarHBondContact O-N 3.49Å; Q116-N120 PolarHBondContact O-OD1 2.68Å; Q116-N120 VanDerWaalsContact O-OD1 3.07Å; Y117-N120 PolarHBondContact O-N 3.17Å; N120-S124 VanDerWaalsContact O-CB 3.3Å; N120-S124 WeakPolarHBondContact O-CB 3.41Å; N120-S124 PolarHBondContact O-N 2.87Å; N120-S124 PolarHBondContact O-OG 2.87Å
121	Q	97.9	Very high	91.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176	-76	-170.4	-24.6	0	0	111.8	S75 F98 E100 Y117 G118 Y119 S124 C125 F142	S75-Q121 WeakPolarHBondContact O-CG 3.29Å; S75-Q121 PolarHBondContact O-NE2 3.04Å; S75-Q121 PolarHBondContact OG-NE2 3.5Å; S75-Q121 VanDerWaalsContact OG-NE2 3.11Å; F98-Q121 HydrophobicContact CE1-CB 4.12Å; F98-Q121 HydrophobicContact CE1-CG 4.1Å; F98-Q121 HydrophobicContact CZ-CB 4.06Å; F98-Q121 HydrophobicContact CZ-CG 4.29Å; E100-Q121 PolarHBondContact O-NE2 2.9Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 VanDerWaalsContact O-N 3.1Å; G118-Q121 PolarHBondContact O-N 3.35Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Y119-Q121 PolarHBondContact O-N 2.87Å; Q121-S124 PolarHBondContact O-N 2.81Å; Q121-C125 PolarHBondContact O-N 2.86Å; Q121-C125 PolarHBondContact O-SG 3.08Å; Q121-F142 HydrophobicContact CB-CE2 4.04Å; Q121-F142 HydrophobicContact CB-CZ 4.31Å
122	V	98.5	Very high	92.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-46.3	176.7	175.2	0	0	0	0	111.4	L103 G118 Y119 S124 C125 L126 F142 I146 M150 L161 I165	L103-V122 HydrophobicContact CD1-CG2 4.28Å; G118-V122 WeakPolarHBondContact O-CG2 3.41Å; G118-V122 PolarHBondContact O-N 2.84Å; G118-V122 VanDerWaalsContact O-N 3.1Å; Y119-V122 PolarHBondContact O-N 3.1Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 3.1Å; V122-C125 WeakPolarHBondContact O-CB 3.46Å; V122-C125 PolarHBondContact O-N 2.89Å; V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 3.34Å; V122-F142 HydrophobicContact CG2-CE2 4.22Å; V122-F142 HydrophobicContact CG2-CZ 3.79Å; V122-I146 HydrophobicContact CG2-CG1 4.19Å; V122-M150 HydrophobicContact CB-CE 4.01Å; V122-M150 HydrophobicContact CG1-CE 3.84Å; V122-M150 HydrophobicContact CG2-CE 3.87Å; V122-L161 HydrophobicContact CG1-CD1 3.84Å; V122-I165 HydrophobicContact CG1-CD1 3.98Å
123	L	98.3	Very high	94.5	Very high	42 Å²	42	31.1 Å²	31.1	22%	0.22	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-42.4	176.2	-70	-172.7	0	0	0	112.3	C80 Y119 C125 L126 V127	C80-L123 HydrophobicContact CB-CB 3.96Å; Y119-L123 HydrophobicContact CD1-CD1 3.94Å; Y119-L123 HydrophobicContact CD1-CG 4.33Å; Y119-L123 HydrophobicContact CE1-CD1 3.34Å; Y119-L123 HydrophobicContact CE1-CG 3.95Å; Y119-L123 HydrophobicContact CE2-CD2 4.47Å; Y119-L123 HydrophobicContact CE2-CG 4.44Å; Y119-L123 PolarHBondContact O-N 2.82Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.47Å; L123-L126 HydrophobicContact CD2-CD1 4.28Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 2.79Å; L123-L126 VanDerWaalsContact O-N 3.12Å; L123-V127 PolarHBondContact O-N 2.87Å
124	S	98.8	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-41.1	177.2	-59.6	0	0	0	0	111.1	L77 L79 N120 Q121 V122 L126 V127 S128	L77-S124 PolarHBondContact O-OG 3.25Å; L79-S124 PolarHBondContact N-OG 2.93Å; N120-S124 VanDerWaalsContact O-CB 3.3Å; N120-S124 WeakPolarHBondContact O-CB 3.41Å; N120-S124 PolarHBondContact O-N 2.87Å; N120-S124 PolarHBondContact O-OG 2.87Å; Q121-S124 PolarHBondContact O-N 2.81Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 3.1Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 3.47Å; S124-V127 VanDerWaalsContact O-CG2 3.31Å; S124-V127 WeakPolarHBondContact O-CG2 3.48Å; S124-V127 PolarHBondContact O-N 3.41Å; S124-S128 WeakPolarHBondContact O-CB 3.23Å; S124-S128 PolarHBondContact O-N 3.4Å; S124-S128 VanDerWaalsContact O-N 3.16Å; S124-S128 PolarHBondContact O-OG 3.26Å
125	C	98.8	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-40.4	172.9	-70.5	0	0	0	0	112.2	F98 Q121 V122 L123 V127 S128 V131 I165 K168	F98-C125 VanDerWaalsContact CE2-SG 3.53Å; F98-C125 WeakPolarHBondContact CZ-SG 3.46Å; Q121-C125 PolarHBondContact O-N 2.86Å; Q121-C125 PolarHBondContact O-SG 3.08Å; V122-C125 WeakPolarHBondContact O-CB 3.46Å; V122-C125 PolarHBondContact O-N 2.89Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.47Å; C125-V127 PolarHBondContact O-N 3.11Å; C125-S128 PolarHBondContact O-N 2.88Å; C125-V131 HydrophobicContact CB-CG2 4.24Å; C125-I165 HydrophobicContact CB-CB 4.46Å; C125-I165 HydrophobicContact CB-CD1 3.67Å; C125-I165 HydrophobicContact CB-CG1 3.81Å; C125-I165 HydrophobicContact CB-CG2 3.76Å; C125-K168 WeakPolarHBondContact O-CE 3.38Å; C125-K168 PolarHBondContact O-NZ 3.09Å
126	L	98.6	Very high	97.5	Very high	60 Å²	60	27.3 Å²	27.3	31%	0.314	13%	0.128	S	C	.	.	H	α-helix	trans	-63.5	-38.4	-178.9	-70.4	171.8	0	0	0	112.8	V122 L123 S124 L161 L164 I165 K168	V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 3.34Å; L123-L126 HydrophobicContact CD2-CD1 4.28Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 2.79Å; L123-L126 VanDerWaalsContact O-N 3.12Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 3.47Å; L126-L161 HydrophobicContact CD1-CD2 4.25Å; L126-L161 HydrophobicContact CD2-CD2 4.43Å; L126-L164 HydrophobicContact CD2-CB 4.06Å; L126-L164 HydrophobicContact CD2-CD1 4.19Å; L126-I165 HydrophobicContact CD2-CD1 4.21Å; L126-I165 HydrophobicContact CD2-CG1 3.9Å; L126-I165 HydrophobicContact CG-CD1 4.36Å; L126-I165 HydrophobicContact CG-CG1 4.4Å; L126-K168 PolarHBondContact O-NZ 3.21Å
127	V	98.4	Very high	97.8	Very high	42 Å²	42	27.2 Å²	27.2	26%	0.255	13%	0.126	S	C	.	.	H	α-helix	trans	-85	-11.5	178.5	-59.8	0	0	0	0	114.2	L79 C80 V83 K94 L123 S124 C125	L79-V127 HydrophobicContact CB-CG2 4.36Å; L79-V127 HydrophobicContact CD2-CG2 4.39Å; L79-V127 HydrophobicContact CG-CG2 4.12Å; C80-V127 HydrophobicContact CB-CG1 4.05Å; C80-V127 HydrophobicContact CB-CG2 4.06Å; V83-V127 HydrophobicContact CG2-CB 4.31Å; V83-V127 HydrophobicContact CG2-CG1 4.5Å; V83-V127 HydrophobicContact CG2-CG2 4.26Å; K94-V127 VanDerWaalsContact CD-O 3.28Å; K94-V127 WeakPolarHBondContact CD-O 3.31Å; K94-V127 WeakPolarHBondContact CE-O 3.43Å; L123-V127 PolarHBondContact O-N 2.87Å; S124-V127 VanDerWaalsContact O-CG2 3.31Å; S124-V127 WeakPolarHBondContact O-CG2 3.48Å; S124-V127 PolarHBondContact O-N 3.41Å; C125-V127 PolarHBondContact O-N 3.11Å
128	S	98.6	Very high	98.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	12%	0.124	C	C	.	.			trans	-78.2	148.1	-179.5	-60.9	0	0	0	0	111.7	L79 L96 S124 C125 K168	L79-S128 WeakPolarHBondContact CD2-OG 3.49Å; L96-S128 VanDerWaalsContact CB-OG 3.31Å; L96-S128 WeakPolarHBondContact CB-OG 3.47Å; S124-S128 WeakPolarHBondContact O-CB 3.23Å; S124-S128 PolarHBondContact O-N 3.4Å; S124-S128 VanDerWaalsContact O-N 3.16Å; S124-S128 PolarHBondContact O-OG 3.26Å; C125-S128 PolarHBondContact O-N 2.88Å; S128-K168 WeakPolarHBondContact O-CD 3.37Å; S128-K168 PolarHBondContact O-NZ 3.09Å
129	D	98.4	Very high	98.2	Very high	80 Å²	80	27.2 Å²	27.2	43%	0.428	13%	0.127	S	C	.	.	S	Bend	trans	-85.9	-35.5	172.5	-55.2	-60	0	0	0	110.8	K93 K94	K93-D129 VanDerWaalsContact CA-OD2 3.27Å; K93-D129 WeakPolarHBondContact CA-OD2 3.39Å; K93-D129 HydrophobicContact CG-CB 4.45Å; K94-D129 WeakPolarHBondContact CE-OD2 3.35Å; K94-D129 PolarHBondContact N-OD2 3.14Å; K94-D129 IonicContact NZ-OD1 3.14Å; K94-D129 PolarHBondContact NZ-OD1 2.97Å; K94-D129 IonicContact NZ-OD2 2.72Å; K94-D129 PolarHBondContact NZ-OD2 3.18Å; K94-D129 PolarHBondContact O-N 3.13Å
130	A	98.5	Very high	98.4	Very high	8 Å²	8	26 Å²	26	7%	0.066	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.8	173.5	0	0	0	0	0	111	K94 V95 L96 L393	K94-A130 PolarHBondContact O-N 2.76Å; K94-A130 VanDerWaalsContact O-N 3.12Å; V95-A130 WeakPolarHBondContact CA-O 3.49Å; L96-A130 PolarHBondContact N-O 3.46Å; A130-L393 HydrophobicContact CB-CD1 3.79Å
131	V	98.8	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	102.7	179.1	-170.6	0	0	0	0	108.9	L96 F98 C125 F133 K168 C169 V170	L96-V131 CarbonylContact O-C 3.47Å; L96-V131 WeakPolarHBondContact O-CA 3.38Å; F98-V131 HydrophobicContact CD2-CG1 3.76Å; F98-V131 HydrophobicContact CE2-CG1 3.56Å; C125-V131 HydrophobicContact CB-CG2 4.24Å; V131-F133 HydrophobicContact CB-CE2 4.18Å; V131-F133 HydrophobicContact CG1-CD2 4.19Å; V131-F133 HydrophobicContact CG1-CE2 3.4Å; V131-F133 VanDerWaalsContact CG1-CE2 3.4Å; V131-F133 HydrophobicContact CG1-CZ 3.79Å; V131-K168 HydrophobicContact CG2-CB 4.39Å; V131-K168 PolarHBondContact N-O 2.93Å; V131-C169 CarbonylContact O-C 3.38Å; V131-C169 VanDerWaalsContact O-CA 3.26Å; V131-C169 WeakPolarHBondContact O-CA 3.47Å; V131-V170 PolarHBondContact O-N 3.5Å
132	A	98.7	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.5	-179.4	0	0	0	0	0	111.1	L96 Y97 F98 V170 L172 L393	L96-A132 PolarHBondContact O-N 3.41Å; Y97-A132 CarbonylContact C-O 3.55Å; Y97-A132 WeakPolarHBondContact CA-O 3.42Å; Y97-A132 HydrophobicContact CD2-CB 3.68Å; Y97-A132 HydrophobicContact CE2-CB 4.28Å; F98-A132 PolarHBondContact N-O 3.06Å; A132-V170 CarbonylContact C-O 3.54Å; A132-V170 WeakPolarHBondContact CA-O 3.48Å; A132-V170 HydrophobicContact CB-CG2 3.93Å; A132-L172 HydrophobicContact CB-CB 4.35Å; A132-L393 HydrophobicContact CB-CD2 3.9Å
133	F	98.8	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.7	173.2	-67.5	-96	0	0	0	110.4	F98 V131 S135 N138 M139 F142 C169 V170 V171 L172	F98-F133 HydrophobicContact CB-CD1 3.55Å; F98-F133 HydrophobicContact CB-CE1 3.88Å; F98-F133 HydrophobicContact CB-CG 4.19Å; F98-F133 HydrophobicContact CD1-CD1 4.16Å; F98-F133 AromaticContact CD1-CE1 3.63Å; F98-F133 HydrophobicContact CD1-CE1 3.63Å; F98-F133 HydrophobicContact CD1-CZ 4.38Å; F98-F133 HydrophobicContact CD2-CD1 4.28Å; F98-F133 AromaticContact CD2-CE1 3.87Å; F98-F133 HydrophobicContact CD2-CE1 3.87Å; F98-F133 HydrophobicContact CD2-CZ 4Å; F98-F133 HydrophobicContact CE1-CE1 4.09Å; F98-F133 HydrophobicContact CE2-CE1 4.32Å; F98-F133 HydrophobicContact CE2-CZ 4.17Å; F98-F133 AromaticContact CG-CD1 3.76Å; F98-F133 HydrophobicContact CG-CD1 3.76Å; F98-F133 AromaticContact CG-CE1 3.51Å; F98-F133 HydrophobicContact CG-CE1 3.51Å; F98-F133 HydrophobicContact CG-CZ 4.13Å; F98-F133 HydrophobicContact CZ-CE1 4.42Å; F98-F133 HydrophobicContact CZ-CZ 4.43Å; V131-F133 HydrophobicContact CB-CE2 4.18Å; V131-F133 HydrophobicContact CG1-CD2 4.19Å; V131-F133 HydrophobicContact CG1-CE2 3.4Å; V131-F133 VanDerWaalsContact CG1-CE2 3.4Å; V131-F133 HydrophobicContact CG1-CZ 3.79Å; F133-S135 PolarHBondContact O-N 3.12Å; F133-S135 VanDerWaalsContact O-N 3.13Å; F133-N138 HydrophobicContact CD1-CB 4.28Å; F133-M139 HydrophobicContact CB-CB 3.81Å; F133-M139 VanDerWaalsContact CD1-CA 3.49Å; F133-M139 HydrophobicContact CD1-CB 4.06Å; F133-M139 HydrophobicContact CD2-CB 3.74Å; F133-M139 HydrophobicContact CD2-CG 3.65Å; F133-M139 HydrophobicContact CD2-SD 4.35Å; F133-M139 HydrophobicContact CE2-CB 4.31Å; F133-M139 HydrophobicContact CE2-CG 3.91Å; F133-M139 HydrophobicContact CG-CB 3.59Å; F133-M139 HydrophobicContact CG-CG 4.06Å; F133-F142 HydrophobicContact CE1-CB 3.94Å; F133-F142 HydrophobicContact CE1-CD1 4.08Å; F133-F142 HydrophobicContact CE1-CG 4.11Å; F133-F142 HydrophobicContact CZ-CB 4.38Å; F133-F142 AromaticContact CZ-CD1 3.75Å; F133-F142 HydrophobicContact CZ-CD1 3.75Å; F133-F142 HydrophobicContact CZ-CE1 4.37Å; F133-F142 HydrophobicContact CZ-CG 4.26Å; F133-C169 HydrophobicContact CD2-CB 4.41Å; F133-C169 HydrophobicContact CE2-CB 4.15Å; F133-V170 PolarHBondContact N-O 3.14Å; F133-V171 WeakPolarHBondContact O-CA 3.33Å; F133-L172 CarbonylContact O-C 3.53Å; F133-L172 PolarHBondContact O-N 3.33Å; F133-L172 VanDerWaalsContact O-O 3.11Å
134	N	98	Very high	98.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.032	15%	0.146	C	C	.	.	S	Bend	trans	-65.7	-11	178.7	64.1	-2.7	0	0	0	114.9	F98 H99 N138 L172 N173 F316 F317	F98-N134 PolarHBondContact O-N 3.27Å; H99-N134 PolarHBondContact O-ND2 3.27Å; N134-N138 WeakPolarHBondContact OD1-CB 3.47Å; N134-N138 PolarHBondContact OD1-ND2 3.45Å; N134-L172 WeakPolarHBondContact CA-O 3.41Å; N134-N173 WeakPolarHBondContact O-CA 3.29Å; N134-N173 PolarHBondContact O-ND2 2.89Å; N134-F316 PolarHBondContact OD1-O 3.12Å; N134-F317 HydrophobicContact CB-CD2 4.3Å; N134-F317 WeakPolarHBondContact O-CD2 3.32Å; N134-F317 WeakPolarHBondContact O-CE2 3.31Å
135	S	98.5	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-158.4	160	174.2	62.1	0	0	0	0	111.2	F133 F137 N138 M139 F316 V338 E341	F133-S135 PolarHBondContact O-N 3.12Å; F133-S135 VanDerWaalsContact O-N 3.13Å; S135-F137 VanDerWaalsContact C-N 3.3Å; S135-N138 PolarHBondContact O-N 3.32Å; S135-N138 VanDerWaalsContact OG-CB 3.29Å; S135-N138 WeakPolarHBondContact OG-CB 3.43Å; S135-N138 PolarHBondContact OG-N 2.77Å; S135-M139 PolarHBondContact O-N 3.03Å; S135-M139 VanDerWaalsContact O-N 3.16Å; S135-F316 WeakPolarHBondContact CB-O 3.38Å; S135-F316 PolarHBondContact OG-O 3.07Å; S135-V338 VanDerWaalsContact CB-CG2 3.47Å; S135-E341 WeakPolarHBondContact CA-OE1 3.28Å
136	R	98.3	Very high	98.3	Very high	153 Å²	153	29.6 Å²	29.6	58%	0.577	15%	0.154	S	C	*	.	H	α-helix	trans	-64	-38.4	171	-175.7	-179.6	-63.8	-101	-1.9	110.7	N138 M139 E140 V171 E341	R136-N138 PolarHBondContact O-N 3.18Å; R136-M139 HydrophobicContact CG-CE 4.44Å; R136-M139 PolarHBondContact O-N 3.26Å; R136-E140 HydrophobicContact CG-CG 4.1Å; R136-E140 PolarHBondContact O-N 3.46Å; R136-V171 HydrophobicContact CB-CG2 4.13Å; R136-E341 WeakPolarHBondContact CA-OE2 3.29Å; R136-E341 WeakPolarHBondContact CB-OE2 3.43Å; R136-E341 VanDerWaalsContact N-CD 3.33Å; R136-E341 PolarHBondContact N-OE1 2.92Å; R136-E341 PolarHBondContact N-OE2 3.08Å
137	F	98.1	Very high	98.1	Very high	59 Å²	59	28.8 Å²	28.8	26%	0.259	16%	0.16	S	C	.	.	H	α-helix	trans	-56.5	-47	174.1	173.2	-101.8	0	0	0	112.3	S135 M139 S141 F316 L337 V338 E341	S135-F137 VanDerWaalsContact C-N 3.3Å; F137-M139 PolarHBondContact O-N 3.05Å; F137-S141 WeakPolarHBondContact O-CB 3.36Å; F137-S141 PolarHBondContact O-N 3.08Å; F137-S141 PolarHBondContact O-OG 3.31Å; F137-F316 AromaticContact CD1-CD1 3.99Å; F137-F316 HydrophobicContact CD1-CD1 3.99Å; F137-F316 HydrophobicContact CD1-CE1 4.46Å; F137-F316 AromaticContact CE1-CD1 3.87Å; F137-F316 HydrophobicContact CE1-CD1 3.87Å; F137-F316 AromaticContact CE1-CE1 3.99Å; F137-F316 HydrophobicContact CE1-CE1 3.99Å; F137-L337 WeakPolarHBondContact CD2-O 3.42Å; F137-L337 HydrophobicContact CE1-CB 4.18Å; F137-L337 HydrophobicContact CE1-CD2 4.21Å; F137-L337 VanDerWaalsContact CG-C 3.45Å; F137-L337 WeakPolarHBondContact CG-O 3.2Å; F137-L337 HydrophobicContact CZ-CB 4.31Å; F137-L337 HydrophobicContact CZ-CD2 3.94Å; F137-V338 HydrophobicContact CB-CB 4.29Å; F137-V338 HydrophobicContact CB-CG2 4.5Å; F137-V338 HydrophobicContact CD1-CB 4.3Å; F137-E341 PolarHBondContact N-OE2 3.47Å
138	N	98.4	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.9	-171.7	7.4	0	0	0	111.4	F98 N101 F133 N134 S135 R136 S141 F142 F316	F98-N138 PolarHBondContact O-ND2 3.24Å; N101-N138 WeakPolarHBondContact CB-OD1 3.46Å; N101-N138 PolarHBondContact ND2-O 3.22Å; N101-N138 PolarHBondContact ND2-OD1 3.23Å; F133-N138 HydrophobicContact CD1-CB 4.28Å; N134-N138 WeakPolarHBondContact OD1-CB 3.47Å; N134-N138 PolarHBondContact OD1-ND2 3.45Å; S135-N138 PolarHBondContact O-N 3.32Å; S135-N138 VanDerWaalsContact OG-CB 3.29Å; S135-N138 WeakPolarHBondContact OG-CB 3.43Å; S135-N138 PolarHBondContact OG-N 2.77Å; R136-N138 PolarHBondContact O-N 3.18Å; N138-S141 PolarHBondContact O-OG 3.4Å; N138-S141 VanDerWaalsContact O-OG 3.12Å; N138-F142 WeakPolarHBondContact O-CB 3.49Å; N138-F142 PolarHBondContact O-N 3.4Å; N138-F142 VanDerWaalsContact O-N 3.12Å; N138-F316 HydrophobicContact CB-CB 4.26Å; N138-F316 HydrophobicContact CB-CD1 3.66Å; N138-F316 HydrophobicContact CB-CE1 4.34Å; N138-F316 HydrophobicContact CB-CG 4.23Å
139	M	98.6	Very high	97.7	Very high	15 Å²	15	31 Å²	31	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-54.1	177.4	-174.6	-179.7	73.3	0	0	112.8	F133 S135 R136 F137 F142 L143 C169 V171	F133-M139 HydrophobicContact CB-CB 3.81Å; F133-M139 VanDerWaalsContact CD1-CA 3.49Å; F133-M139 HydrophobicContact CD1-CB 4.06Å; F133-M139 HydrophobicContact CD2-CB 3.74Å; F133-M139 HydrophobicContact CD2-CG 3.65Å; F133-M139 HydrophobicContact CD2-SD 4.35Å; F133-M139 HydrophobicContact CE2-CB 4.31Å; F133-M139 HydrophobicContact CE2-CG 3.91Å; F133-M139 HydrophobicContact CG-CB 3.59Å; F133-M139 HydrophobicContact CG-CG 4.06Å; S135-M139 PolarHBondContact O-N 3.03Å; S135-M139 VanDerWaalsContact O-N 3.16Å; R136-M139 HydrophobicContact CG-CE 4.44Å; R136-M139 PolarHBondContact O-N 3.26Å; F137-M139 PolarHBondContact O-N 3.05Å; M139-F142 PolarHBondContact O-N 3.44Å; M139-L143 HydrophobicContact CG-CD1 3.94Å; M139-L143 WeakPolarHBondContact O-CG 3.45Å; M139-L143 PolarHBondContact O-N 3.18Å; M139-C169 HydrophobicContact CG-CB 4.1Å; M139-C169 HydrophobicContact SD-CB 3.57Å; M139-C169 VanDerWaalsContact SD-CB 3.57Å; M139-V171 HydrophobicContact CE-CG2 3.94Å; M139-V171 HydrophobicContact SD-CG2 3.93Å
140	E	98.3	Very high	97.5	Very high	62 Å²	62	27.5 Å²	27.5	29%	0.29	16%	0.157	S	C	.	.	H	α-helix	trans	-68.7	-41	-175	-68.8	-59.4	155.8	0	0	111.4	R136 F142 L143 S144 R166	R136-E140 HydrophobicContact CG-CG 4.1Å; R136-E140 PolarHBondContact O-N 3.46Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 3.22Å; E140-L143 PolarHBondContact O-N 3.21Å; E140-S144 WeakPolarHBondContact O-CB 2.91Å; E140-S144 PolarHBondContact O-N 3.11Å; E140-S144 PolarHBondContact O-OG 3.11Å; E140-R166 IonicContact OE1-CZ 3.73Å; E140-R166 IonicContact OE1-NH1 3.74Å; E140-R166 PolarHBondContact OE1-NH1 2.86Å; E140-R166 IonicContact OE1-NH2 2.97Å; E140-R166 IonicContact OE2-CZ 3.72Å; E140-R166 IonicContact OE2-NH1 3.47Å; E140-R166 PolarHBondContact OE2-NH1 3.46Å; E140-R166 IonicContact OE2-NH2 2.76Å; E140-R166 PolarHBondContact OE2-NH2 3.21Å
141	S	97.8	Very high	97.3	Very high	16 Å²	16	33.7 Å²	33.7	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-33.5	176.1	63.6	0	0	0	0	112.7	N101 F137 N138 S144 S145	N101-S141 PolarHBondContact ND2-OG 3.43Å; N101-S141 VanDerWaalsContact ND2-OG 3.16Å; F137-S141 WeakPolarHBondContact O-CB 3.36Å; F137-S141 PolarHBondContact O-N 3.08Å; F137-S141 PolarHBondContact O-OG 3.31Å; N138-S141 PolarHBondContact O-OG 3.4Å; N138-S141 VanDerWaalsContact O-OG 3.12Å; S141-S144 PolarHBondContact O-OG 3.26Å; S141-S145 VanDerWaalsContact O-CB 3.23Å; S141-S145 WeakPolarHBondContact O-CB 3.49Å; S141-S145 PolarHBondContact O-OG 2.87Å
142	F	98.3	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-58.3	172.1	178.7	-106.2	0	0	0	110.9	F98 N101 L103 Q121 V122 F133 N138 M139 E140 S144 S145 I146	F98-F142 HydrophobicContact CE1-CD2 4.23Å; F98-F142 HydrophobicContact CE1-CE2 4.07Å; F98-F142 HydrophobicContact CE1-CZ 4.33Å; F98-F142 HydrophobicContact CZ-CE1 4.49Å; F98-F142 HydrophobicContact CZ-CE2 4.37Å; F98-F142 HydrophobicContact CZ-CZ 4.18Å; N101-F142 HydrophobicContact CB-CB 3.98Å; N101-F142 HydrophobicContact CB-CD2 3.72Å; N101-F142 HydrophobicContact CB-CG 4.21Å; L103-F142 HydrophobicContact CB-CD2 4.2Å; L103-F142 HydrophobicContact CD1-CD2 3.57Å; L103-F142 HydrophobicContact CD1-CE2 3.53Å; L103-F142 HydrophobicContact CD1-CG 4.4Å; L103-F142 HydrophobicContact CD1-CZ 4.31Å; L103-F142 HydrophobicContact CG-CD2 3.68Å; L103-F142 HydrophobicContact CG-CE2 3.71Å; Q121-F142 HydrophobicContact CB-CE2 4.04Å; Q121-F142 HydrophobicContact CB-CZ 4.31Å; V122-F142 HydrophobicContact CG2-CE2 4.22Å; V122-F142 HydrophobicContact CG2-CZ 3.79Å; F133-F142 HydrophobicContact CE1-CB 3.94Å; F133-F142 HydrophobicContact CE1-CD1 4.08Å; F133-F142 HydrophobicContact CE1-CG 4.11Å; F133-F142 HydrophobicContact CZ-CB 4.38Å; F133-F142 AromaticContact CZ-CD1 3.75Å; F133-F142 HydrophobicContact CZ-CD1 3.75Å; F133-F142 HydrophobicContact CZ-CE1 4.37Å; F133-F142 HydrophobicContact CZ-CG 4.26Å; N138-F142 WeakPolarHBondContact O-CB 3.49Å; N138-F142 PolarHBondContact O-N 3.4Å; N138-F142 VanDerWaalsContact O-N 3.12Å; M139-F142 PolarHBondContact O-N 3.44Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 3.22Å; F142-S144 PolarHBondContact O-N 2.88Å; F142-S145 PolarHBondContact O-N 3.09Å; F142-I146 HydrophobicContact CD1-CD1 4.21Å; F142-I146 HydrophobicContact CE1-CD1 3.85Å; F142-I146 HydrophobicContact CE1-CG1 4.34Å; F142-I146 HydrophobicContact CZ-CD1 4.38Å; F142-I146 WeakPolarHBondContact O-CG1 3.39Å; F142-I146 PolarHBondContact O-N 3.05Å
143	L	98.5	Very high	96.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-45	-174.4	-69	173.8	0	0	0	112.3	M139 E140 S145 I146 I165 R166	M139-L143 HydrophobicContact CG-CD1 3.94Å; M139-L143 WeakPolarHBondContact O-CG 3.45Å; M139-L143 PolarHBondContact O-N 3.18Å; E140-L143 PolarHBondContact O-N 3.21Å; L143-S145 PolarHBondContact O-N 3.43Å; L143-I146 HydrophobicContact CD2-CD1 4.05Å; L143-I146 PolarHBondContact O-N 2.88Å; L143-I165 HydrophobicContact CD2-CB 4.18Å; L143-I165 HydrophobicContact CD2-CG2 3.87Å; L143-R166 HydrophobicContact CD1-CB 4.13Å; L143-R166 HydrophobicContact CD1-CG 4.2Å
144	S	97.6	Very high	96.3	Very high	89 Å²	89	46.1 Å²	46.1	62%	0.622	25%	0.25	S	C	*	.	H	α-helix	trans	-65.5	-23.7	178.8	67.9	0	0	0	0	113.3	E140 S141 F142	E140-S144 WeakPolarHBondContact O-CB 2.91Å; E140-S144 PolarHBondContact O-N 3.11Å; E140-S144 PolarHBondContact O-OG 3.11Å; S141-S144 PolarHBondContact O-OG 3.26Å; F142-S144 PolarHBondContact O-N 2.88Å
145	S	97	Very high	96.1	Very high	25 Å²	25	51 Å²	51	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-90	-13.6	-177.2	-59.2	0	0	0	0	113.3	S141 F142 L143 G147 S148 F149	S141-S145 VanDerWaalsContact O-CB 3.23Å; S141-S145 WeakPolarHBondContact O-CB 3.49Å; S141-S145 PolarHBondContact O-OG 2.87Å; F142-S145 PolarHBondContact O-N 3.09Å; L143-S145 PolarHBondContact O-N 3.43Å; S145-G147 PolarHBondContact O-N 2.89Å; S145-S148 PolarHBondContact O-N 3.14Å; S145-S148 PolarHBondContact O-OG 2.97Å; S145-F149 WeakPolarHBondContact O-CB 3.47Å; S145-F149 PolarHBondContact O-N 2.91Å
146	I	97.4	Very high	95.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-48.1	-178.7	-66.8	172.8	0	0	0	111	L103 V122 F142 L143 S148 F149 M150 L161 D162 I165	L103-I146 HydrophobicContact CD1-CG1 3.78Å; V122-I146 HydrophobicContact CG2-CG1 4.19Å; F142-I146 HydrophobicContact CD1-CD1 4.21Å; F142-I146 HydrophobicContact CE1-CD1 3.85Å; F142-I146 HydrophobicContact CE1-CG1 4.34Å; F142-I146 HydrophobicContact CZ-CD1 4.38Å; F142-I146 WeakPolarHBondContact O-CG1 3.39Å; F142-I146 PolarHBondContact O-N 3.05Å; L143-I146 HydrophobicContact CD2-CD1 4.05Å; L143-I146 PolarHBondContact O-N 2.88Å; I146-S148 PolarHBondContact O-N 3.03Å; I146-F149 PolarHBondContact O-N 2.97Å; I146-M150 HydrophobicContact CG2-CG 4.32Å; I146-M150 WeakPolarHBondContact O-CG 3.3Å; I146-M150 PolarHBondContact O-N 2.78Å; I146-L161 HydrophobicContact CG2-CB 3.76Å; I146-L161 HydrophobicContact CG2-CD1 4.27Å; I146-D162 HydrophobicContact CD1-CB 4.16Å; I146-I165 HydrophobicContact CD1-CD1 3.93Å
147	G	95.1	Very high	95.7	Very high	42 Å²	42	57.5 Å²	57.5	43%	0.433	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-41.8	-176.7	0	0	0	0	0	113.4	S145 K151	S145-G147 PolarHBondContact O-N 2.89Å; G147-K151 WeakPolarHBondContact O-CG 3.45Å
148	S	94.2	Very high	95.5	Very high	74 Å²	74	57.3 Å²	57.3	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-37.3	175.8	59.2	0	0	0	0	111.6	S145 I146 K151	S145-S148 PolarHBondContact O-N 3.14Å; S145-S148 PolarHBondContact O-OG 2.97Å; I146-S148 PolarHBondContact O-N 3.03Å; S148-K151 WeakPolarHBondContact O-CB 3.43Å; S148-K151 PolarHBondContact O-N 3.25Å
149	F	94.4	Very high	95.4	Very high	18 Å²	18	65.2 Å²	65.2	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-43.4	177.7	-174.4	-103.2	0	0	0	112.6	L103 F115 S145 I146 K151 K152	L103-F149 HydrophobicContact CD1-CB 4.47Å; L103-F149 HydrophobicContact CD2-CB 4.1Å; L103-F149 HydrophobicContact CD2-CD1 3.69Å; L103-F149 HydrophobicContact CD2-CD2 3.51Å; L103-F149 HydrophobicContact CD2-CE1 3.85Å; L103-F149 HydrophobicContact CD2-CE2 3.67Å; L103-F149 HydrophobicContact CD2-CG 3.49Å; L103-F149 VanDerWaalsContact CD2-CG 3.49Å; L103-F149 HydrophobicContact CD2-CZ 3.81Å; F115-F149 HydrophobicContact CD2-CD1 4.46Å; F115-F149 AromaticContact CD2-CE1 3.76Å; F115-F149 HydrophobicContact CD2-CE1 3.76Å; F115-F149 AromaticContact CD2-CE2 3.93Å; F115-F149 HydrophobicContact CD2-CE2 3.93Å; F115-F149 AromaticContact CD2-CZ 3.47Å; F115-F149 HydrophobicContact CD2-CZ 3.47Å; F115-F149 VanDerWaalsContact CD2-CZ 3.47Å; F115-F149 AromaticContact CE2-CD1 3.98Å; F115-F149 HydrophobicContact CE2-CD1 3.98Å; F115-F149 AromaticContact CE2-CE1 3.51Å; F115-F149 HydrophobicContact CE2-CE1 3.51Å; F115-F149 HydrophobicContact CE2-CE2 4.38Å; F115-F149 AromaticContact CE2-CZ 3.76Å; F115-F149 HydrophobicContact CE2-CZ 3.76Å; F115-F149 HydrophobicContact CG-CZ 4.13Å; F115-F149 HydrophobicContact CZ-CE1 4.13Å; F115-F149 VanDerWaalsContact O-CZ 3.24Å; F115-F149 WeakPolarHBondContact O-CZ 3.47Å; S145-F149 WeakPolarHBondContact O-CB 3.47Å; S145-F149 PolarHBondContact O-N 2.91Å; I146-F149 PolarHBondContact O-N 2.97Å; F149-K151 PolarHBondContact O-N 2.89Å; F149-K152 HydrophobicContact CD2-CD 4.44Å; F149-K152 VanDerWaalsContact O-CB 3.31Å; F149-K152 WeakPolarHBondContact O-CB 3.34Å; F149-K152 WeakPolarHBondContact O-CG 3.45Å; F149-K152 PolarHBondContact O-N 2.75Å
150	M	95.1	Very high	95.3	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-17	177.8	-66	-56.7	156.5	0	0	113.5	Y119 V122 I146 K152 I153 P158 L161	Y119-M150 HydrophobicContact CD2-CE 4.32Å; V122-M150 HydrophobicContact CB-CE 4.01Å; V122-M150 HydrophobicContact CG1-CE 3.84Å; V122-M150 HydrophobicContact CG2-CE 3.87Å; I146-M150 HydrophobicContact CG2-CG 4.32Å; I146-M150 WeakPolarHBondContact O-CG 3.3Å; I146-M150 PolarHBondContact O-N 2.78Å; M150-K152 PolarHBondContact O-N 3.33Å; M150-I153 WeakPolarHBondContact O-CB 3.21Å; M150-I153 PolarHBondContact O-N 3.35Å; M150-I153 VanDerWaalsContact O-N 3.14Å; M150-I153 HydrophobicContact SD-CD1 3.68Å; M150-P158 HydrophobicContact CG-CG 4.17Å; M150-P158 HydrophobicContact SD-CG 3.97Å; M150-L161 HydrophobicContact CE-CD1 3.89Å; M150-L161 HydrophobicContact CG-CD1 4.06Å; M150-L161 HydrophobicContact SD-CD1 4.22Å
151	K	93.4	Very high	95.2	Very high	139 Å²	139	66.7 Å²	66.7	60%	0.604	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.1	171.4	-65.9	173.8	-175.1	177.4	0	113.3	G147 S148 F149 I153 R157	G147-K151 WeakPolarHBondContact O-CG 3.45Å; S148-K151 WeakPolarHBondContact O-CB 3.43Å; S148-K151 PolarHBondContact O-N 3.25Å; F149-K151 PolarHBondContact O-N 2.89Å; K151-I153 PolarHBondContact O-N 3.2Å; K151-R157 PolarHBondContact O-NH2 2.83Å
152	K	91.3	Very high	95.2	Very high	103 Å²	103	68.4 Å²	68.4	45%	0.448	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.8	171.4	-64	-170.8	177.7	-162.2	0	112.3	D110 F115 F149 M150	D110-K152 IonicContact OD1-NZ 2.81Å; D110-K152 PolarHBondContact OD1-NZ 3.09Å; D110-K152 VanDerWaalsContact OD1-NZ 3.14Å; D110-K152 IonicContact OD2-NZ 2.74Å; D110-K152 PolarHBondContact OD2-NZ 2.96Å; F115-K152 HydrophobicContact CD2-CB 3.92Å; F115-K152 HydrophobicContact CD2-CD 4.11Å; F115-K152 HydrophobicContact CE2-CB 3.94Å; F149-K152 HydrophobicContact CD2-CD 4.44Å; F149-K152 VanDerWaalsContact O-CB 3.31Å; F149-K152 WeakPolarHBondContact O-CB 3.34Å; F149-K152 WeakPolarHBondContact O-CG 3.45Å; F149-K152 PolarHBondContact O-N 2.75Å; M150-K152 PolarHBondContact O-N 3.33Å
153	I	92.6	Very high	95.2	Very high	36 Å²	36	74 Å²	74	19%	0.185	39%	0.39	C	S	.	.	S	Bend	trans	-70.7	128.3	174.4	-57.7	172.3	0	0	0	108.6	F115 M150 K151 D155 R157 P158	F115-I153 HydrophobicContact CE1-CG1 4.34Å; F115-I153 HydrophobicContact CE2-CG1 4.11Å; F115-I153 HydrophobicContact CZ-CD1 4.02Å; F115-I153 HydrophobicContact CZ-CG1 3.5Å; F115-I153 VanDerWaalsContact CZ-CG1 3.5Å; M150-I153 WeakPolarHBondContact O-CB 3.21Å; M150-I153 PolarHBondContact O-N 3.35Å; M150-I153 VanDerWaalsContact O-N 3.14Å; M150-I153 HydrophobicContact SD-CD1 3.68Å; K151-I153 PolarHBondContact O-N 3.2Å; I153-D155 WeakPolarHBondContact CG2-O 3.41Å; I153-D155 PolarHBondContact O-N 2.92Å; I153-R157 HydrophobicContact CB-CG 4.24Å; I153-R157 PolarHBondContact O-NE 3.31Å; I153-R157 PolarHBondContact O-NH2 2.93Å; I153-P158 HydrophobicContact CD1-CG 4.34Å
154	P	92.2	Very high	95.2	Very high	121 Å²	121	78.8 Å²	78.8	79%	0.786	42%	0.416	S	S	*	.	S	Bend	trans	-57.1	-49.5	-175.4	-28	35.5	0	0	0	114.1	R157	P154-R157 PolarHBondContact O-NH2 2.69Å
155	D	93.6	Very high	95.3	Very high	110 Å²	110	74.6 Å²	74.6	59%	0.588	39%	0.386	S	S	*	.	S	Bend	trans	-143.4	169.5	-176.8	-162.2	3.8	0	0	0	111.3	I153 R157	I153-D155 WeakPolarHBondContact CG2-O 3.41Å; I153-D155 PolarHBondContact O-N 2.92Å; D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 PolarHBondContact O-N 2.91Å
156	H	93.4	Very high	95.3	Very high	170 Å²	170	78.3 Å²	78.3	79%	0.787	40%	0.396	S	S	*	.	S	Bend	trans	54.4	44	177.7	-59.4	-71.1	0	0	0	114.1
157	R	94.8	Very high	95.4	Very high	119 Å²	119	83.3 Å²	83.3	45%	0.449	43%	0.429	S	S	.	.			trans	-66	126.5	-175	-60.3	174.5	-176.3	161.9	9.1	111.1	K151 I153 P154 D155	K151-R157 PolarHBondContact O-NH2 2.83Å; I153-R157 HydrophobicContact CB-CG 4.24Å; I153-R157 PolarHBondContact O-NE 3.31Å; I153-R157 PolarHBondContact O-NH2 2.93Å; P154-R157 PolarHBondContact O-NH2 2.69Å; D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 PolarHBondContact O-N 2.91Å
158	P	94.6	Very high	95.6	Very high	54 Å²	54	83.5 Å²	83.5	35%	0.351	42%	0.418	S	S	.	.			trans	-65.3	148.1	172	29.2	-34.1	0	0	0	110.2	M150 I153 L161	M150-P158 HydrophobicContact CG-CG 4.17Å; M150-P158 HydrophobicContact SD-CG 3.97Å; I153-P158 HydrophobicContact CD1-CG 4.34Å; P158-L161 HydrophobicContact CB-CD1 3.95Å; P158-L161 HydrophobicContact CB-CD2 4.16Å; P158-L161 HydrophobicContact CB-CG 4.12Å; P158-L161 HydrophobicContact CG-CD1 3.82Å; P158-L161 HydrophobicContact CG-CG 4.5Å
159	K	94.6	Very high	95.8	Very high	167 Å²	167	80.9 Å²	80.9	73%	0.726	40%	0.399	S	S	*	.			trans	-121.3	161	-178.4	-61.9	-177.6	-177.5	176.9	0	110.3	L161	K159-L161 PolarHBondContact O-N 3.29Å
160	D	96.5	Very high	96	Very high	89 Å²	89	82.8 Å²	82.8	48%	0.476	41%	0.412	S	S	.	.			trans	58.2	21	170.1	-48.5	-56	0	0	0	114.7	D162 Q163 L164	D160-D162 VanDerWaalsContact C-N 3.28Å; D160-D162 PolarHBondContact O-N 2.99Å; D160-Q163 HydrophobicContact CB-CB 4.47Å; D160-Q163 HydrophobicContact CB-CG 4.45Å; D160-Q163 WeakPolarHBondContact O-CB 3.43Å; D160-Q163 PolarHBondContact O-N 2.76Å; D160-Q163 VanDerWaalsContact O-N 3.09Å; D160-Q163 PolarHBondContact OD1-NE2 3.48Å; D160-L164 PolarHBondContact O-N 3.39Å
161	L	98.1	Very high	96.1	Very high	19 Å²	19	84.7 Å²	84.7	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-63.6	-34.3	-179.1	-65.6	-174.7	0	0	0	112.3	V122 L126 I146 M150 P158 K159 Q163 L164 I165	V122-L161 HydrophobicContact CG1-CD1 3.84Å; L126-L161 HydrophobicContact CD1-CD2 4.25Å; L126-L161 HydrophobicContact CD2-CD2 4.43Å; I146-L161 HydrophobicContact CG2-CB 3.76Å; I146-L161 HydrophobicContact CG2-CD1 4.27Å; M150-L161 HydrophobicContact CE-CD1 3.89Å; M150-L161 HydrophobicContact CG-CD1 4.06Å; M150-L161 HydrophobicContact SD-CD1 4.22Å; P158-L161 HydrophobicContact CB-CD1 3.95Å; P158-L161 HydrophobicContact CB-CD2 4.16Å; P158-L161 HydrophobicContact CB-CG 4.12Å; P158-L161 HydrophobicContact CG-CD1 3.82Å; P158-L161 HydrophobicContact CG-CG 4.5Å; K159-L161 PolarHBondContact O-N 3.29Å; L161-Q163 VanDerWaalsContact C-N 3.31Å; L161-Q163 PolarHBondContact O-N 2.87Å; L161-L164 HydrophobicContact CD2-CD1 4.27Å; L161-L164 PolarHBondContact O-N 2.85Å; L161-I165 WeakPolarHBondContact O-CD1 3.4Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.09Å
162	D	97.7	Very high	96.3	Very high	51 Å²	51	78.3 Å²	78.3	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-37.2	173.9	60.9	-62.3	0	0	0	111.8	I146 D160 L164 I165 R166	I146-D162 HydrophobicContact CD1-CB 4.16Å; D160-D162 VanDerWaalsContact C-N 3.28Å; D160-D162 PolarHBondContact O-N 2.99Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.98Å; D162-I165 PolarHBondContact O-N 3.11Å; D162-R166 WeakPolarHBondContact O-CB 3.47Å; D162-R166 PolarHBondContact O-N 3.47Å
163	Q	97.8	Very high	96.7	Very high	117 Å²	117	74.9 Å²	74.9	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-69	-31.2	176.5	-60.4	170.3	30.3	0	0	111.9	D160 L161 P167	D160-Q163 HydrophobicContact CB-CB 4.47Å; D160-Q163 HydrophobicContact CB-CG 4.45Å; D160-Q163 WeakPolarHBondContact O-CB 3.43Å; D160-Q163 PolarHBondContact O-N 2.76Å; D160-Q163 VanDerWaalsContact O-N 3.09Å; D160-Q163 PolarHBondContact OD1-NE2 3.48Å; L161-Q163 VanDerWaalsContact C-N 3.31Å; L161-Q163 PolarHBondContact O-N 2.87Å; Q163-P167 WeakPolarHBondContact O-CD 3.39Å; Q163-P167 WeakPolarHBondContact O-CG 3.24Å
164	L	98.3	Very high	96.9	Very high	105 Å²	105	73.5 Å²	73.5	55%	0.55	38%	0.376	S	S	.	.	H	α-helix	trans	-74.6	-33	174.2	-63	177.3	0	0	0	112.7	L126 D160 L161 D162 K168	L126-L164 HydrophobicContact CD2-CB 4.06Å; L126-L164 HydrophobicContact CD2-CD1 4.19Å; D160-L164 PolarHBondContact O-N 3.39Å; L161-L164 HydrophobicContact CD2-CD1 4.27Å; L161-L164 PolarHBondContact O-N 2.85Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.98Å; L164-K168 WeakPolarHBondContact O-CE 3.39Å
165	I	98.7	Very high	97.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-86.4	-41.8	-175.4	-67.5	165.6	0	0	0	111.3	V122 C125 L126 L143 I146 L161 D162 P167 K168 C169	V122-I165 HydrophobicContact CG1-CD1 3.98Å; C125-I165 HydrophobicContact CB-CB 4.46Å; C125-I165 HydrophobicContact CB-CD1 3.67Å; C125-I165 HydrophobicContact CB-CG1 3.81Å; C125-I165 HydrophobicContact CB-CG2 3.76Å; L126-I165 HydrophobicContact CD2-CD1 4.21Å; L126-I165 HydrophobicContact CD2-CG1 3.9Å; L126-I165 HydrophobicContact CG-CD1 4.36Å; L126-I165 HydrophobicContact CG-CG1 4.4Å; L143-I165 HydrophobicContact CD2-CB 4.18Å; L143-I165 HydrophobicContact CD2-CG2 3.87Å; I146-I165 HydrophobicContact CD1-CD1 3.93Å; L161-I165 WeakPolarHBondContact O-CD1 3.4Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.09Å; D162-I165 PolarHBondContact O-N 3.11Å; I165-P167 VanDerWaalsContact C-CD 3.45Å; I165-K168 WeakPolarHBondContact O-CB 3.5Å; I165-K168 PolarHBondContact O-N 3.27Å; I165-C169 PolarHBondContact O-SG 3.16Å; I165-C169 VanDerWaalsContact O-SG 3.38Å
166	R	98.6	Very high	97.3	Very high	103 Å²	103	62.9 Å²	62.9	39%	0.389	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-51.6	-42.9	-173.5	179.3	176.2	-71.4	-82.9	3.7	114.9	E140 L143 D162 K168 C169	E140-R166 IonicContact OE1-CZ 3.73Å; E140-R166 IonicContact OE1-NH1 3.74Å; E140-R166 PolarHBondContact OE1-NH1 2.86Å; E140-R166 IonicContact OE1-NH2 2.97Å; E140-R166 IonicContact OE2-CZ 3.72Å; E140-R166 IonicContact OE2-NH1 3.47Å; E140-R166 PolarHBondContact OE2-NH1 3.46Å; E140-R166 IonicContact OE2-NH2 2.76Å; E140-R166 PolarHBondContact OE2-NH2 3.21Å; L143-R166 HydrophobicContact CD1-CB 4.13Å; L143-R166 HydrophobicContact CD1-CG 4.2Å; D162-R166 WeakPolarHBondContact O-CB 3.47Å; D162-R166 PolarHBondContact O-N 3.47Å; R166-K168 PolarHBondContact O-N 2.7Å; R166-K168 VanDerWaalsContact O-N 3.09Å; R166-C169 WeakPolarHBondContact O-CB 3.35Å; R166-C169 PolarHBondContact O-N 3.35Å
167	P	98.5	Very high	97.2	Very high	107 Å²	107	60 Å²	60	70%	0.695	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62	-18.8	179.8	-24.5	35.3	0	0	0	114.2	Q163 I165	Q163-P167 WeakPolarHBondContact O-CD 3.39Å; Q163-P167 WeakPolarHBondContact O-CG 3.24Å; I165-P167 VanDerWaalsContact C-CD 3.45Å
168	K	98.4	Very high	97.2	Very high	47 Å²	47	56.1 Å²	56.1	20%	0.204	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.1	-7.4	-178.8	-51.3	-174.5	-66.6	172.2	0	112.1	C125 L126 S128 V131 L164 I165 R166	C125-K168 WeakPolarHBondContact O-CE 3.38Å; C125-K168 PolarHBondContact O-NZ 3.09Å; L126-K168 PolarHBondContact O-NZ 3.21Å; S128-K168 WeakPolarHBondContact O-CD 3.37Å; S128-K168 PolarHBondContact O-NZ 3.09Å; V131-K168 HydrophobicContact CG2-CB 4.39Å; V131-K168 PolarHBondContact N-O 2.93Å; L164-K168 WeakPolarHBondContact O-CE 3.39Å; I165-K168 WeakPolarHBondContact O-CB 3.5Å; I165-K168 PolarHBondContact O-N 3.27Å; R166-K168 PolarHBondContact O-N 2.7Å; R166-K168 VanDerWaalsContact O-N 3.09Å
169	C	98.7	Very high	97	Very high	19 Å²	19	55.5 Å²	55.5	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135	-176	-64	0	0	0	0	111.4	V131 F133 M139 I165 R166	V131-C169 CarbonylContact O-C 3.38Å; V131-C169 VanDerWaalsContact O-CA 3.26Å; V131-C169 WeakPolarHBondContact O-CA 3.47Å; F133-C169 HydrophobicContact CD2-CB 4.41Å; F133-C169 HydrophobicContact CE2-CB 4.15Å; M139-C169 HydrophobicContact CG-CB 4.1Å; M139-C169 HydrophobicContact SD-CB 3.57Å; M139-C169 VanDerWaalsContact SD-CB 3.57Å; I165-C169 PolarHBondContact O-SG 3.16Å; I165-C169 VanDerWaalsContact O-SG 3.38Å; R166-C169 WeakPolarHBondContact O-CB 3.35Å; R166-C169 PolarHBondContact O-N 3.35Å
170	V	98.3	Very high	96.8	Very high	57 Å²	57	53.6 Å²	53.6	35%	0.345	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.9	170	-60.4	0	0	0	0	109.6	V131 A132 F133 L393	V131-V170 PolarHBondContact O-N 3.5Å; A132-V170 CarbonylContact C-O 3.54Å; A132-V170 WeakPolarHBondContact CA-O 3.48Å; A132-V170 HydrophobicContact CB-CG2 3.93Å; F133-V170 PolarHBondContact N-O 3.14Å; V170-L393 HydrophobicContact CG2-CD1 4.38Å
171	V	98.4	Very high	96.7	Very high	45 Å²	45	49.5 Å²	49.5	27%	0.273	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.2	169.1	178.9	0	0	0	0	107.3	F133 R136 M139	F133-V171 WeakPolarHBondContact O-CA 3.33Å; R136-V171 HydrophobicContact CB-CG2 4.13Å; M139-V171 HydrophobicContact CE-CG2 3.94Å; M139-V171 HydrophobicContact SD-CG2 3.93Å
172	L	98.1	Very high	96.3	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	27%	0.266	C	S	.	.			trans	-132.3	106.3	174.9	177.6	57.1	0	0	0	107.5	Y97 A132 F133 N134 L386 Q389 F390 L393	Y97-L172 PolarHBondContact OH-O 3.44Å; A132-L172 HydrophobicContact CB-CB 4.35Å; F133-L172 CarbonylContact O-C 3.53Å; F133-L172 PolarHBondContact O-N 3.33Å; F133-L172 VanDerWaalsContact O-O 3.11Å; N134-L172 WeakPolarHBondContact CA-O 3.41Å; L172-L386 HydrophobicContact CD1-CD2 4.33Å; L172-Q389 HydrophobicContact CD1-CB 3.61Å; L172-F390 HydrophobicContact CD1-CD2 4.05Å; L172-F390 HydrophobicContact CD1-CE2 3.85Å; L172-F390 HydrophobicContact CD1-CZ 4.43Å; L172-F390 HydrophobicContact CD2-CD1 3.74Å; L172-F390 HydrophobicContact CD2-CD2 3.85Å; L172-F390 HydrophobicContact CD2-CE1 3.64Å; L172-F390 HydrophobicContact CD2-CE2 3.74Å; L172-F390 HydrophobicContact CD2-CG 3.84Å; L172-F390 HydrophobicContact CD2-CZ 3.63Å; L172-F390 HydrophobicContact CG-CD2 4.14Å; L172-F390 HydrophobicContact CG-CE1 4.27Å; L172-F390 HydrophobicContact CG-CE2 3.66Å; L172-F390 HydrophobicContact CG-CZ 3.73Å; L172-L393 HydrophobicContact CD2-CD2 3.61Å
173	N	98.1	Very high	96	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.171	29%	0.29	C	S	.	.			trans	-61.4	156.9	-172.9	-64.5	116.8	0	0	0	112.6	N134 P175 F317 Y381 L386	N134-N173 WeakPolarHBondContact O-CA 3.29Å; N134-N173 PolarHBondContact O-ND2 2.89Å; N173-P175 WeakPolarHBondContact O-CD 3.25Å; N173-F317 HydrophobicContact CB-CE2 3.68Å; N173-F317 HydrophobicContact CB-CZ 4.04Å; N173-Y381 HydrophobicContact CB-CD1 4.07Å; N173-L386 HydrophobicContact CB-CD1 3.97Å; N173-L386 WeakPolarHBondContact O-CD1 3.2Å
174	Y	98.1	Very high	95.7	Very high	6 Å²	6	50.6 Å²	50.6	2%	0.024	28%	0.279	C	S	.	.			trans	-68.4	125.1	175.9	179.6	-90.6	0	0	0	110.2	S22 Q25 L26 Y97 H99 V176 F317 V319	S22-Y174 WeakPolarHBondContact CA-OH 3.35Å; S22-Y174 WeakPolarHBondContact O-CE2 3.37Å; S22-Y174 PolarHBondContact O-OH 3.45Å; S22-Y174 VanDerWaalsContact O-OH 3.09Å; Q25-Y174 WeakPolarHBondContact CB-OH 3.24Å; Q25-Y174 PolarHBondContact OE1-OH 3.3Å; L26-Y174 HydrophobicContact CB-CE2 4Å; Y97-Y174 VanDerWaalsContact OH-CA 3.3Å; Y97-Y174 WeakPolarHBondContact OH-CA 3.48Å; Y97-Y174 PolarHBondContact OH-N 3.39Å; H99-Y174 AromaticContact CE1-CE2 3.83Å; Y174-V176 HydrophobicContact CD1-CG2 4.06Å; Y174-V176 PolarHBondContact O-N 2.94Å; Y174-F317 HydrophobicContact CD1-CD1 4.39Å; Y174-F317 HydrophobicContact CD1-CE1 4.19Å; Y174-F317 HydrophobicContact CG-CD1 4.41Å; Y174-F317 HydrophobicContact CG-CE1 4.39Å; Y174-F317 WeakPolarHBondContact O-CZ 3.28Å; Y174-V319 HydrophobicContact CD1-CG2 3.83Å; Y174-V319 HydrophobicContact CE1-CG2 4.02Å
175	P	97.3	Very high	95.4	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.026	26%	0.257	C	S	.	.			trans	-78	105.2	-175.2	30.5	-34	0	0	0	111.4	L26 L29 N173 W383 L386 F390	L26-P175 HydrophobicContact CD1-CG 3.59Å; L29-P175 HydrophobicContact CD2-CB 3.74Å; L29-P175 HydrophobicContact CD2-CG 3.51Å; N173-P175 WeakPolarHBondContact O-CD 3.25Å; P175-W383 HydrophobicContact CB-CB 4.25Å; P175-W383 HydrophobicContact CB-CE3 3.67Å; P175-W383 HydrophobicContact CB-CZ3 4.46Å; P175-W383 HydrophobicContact CG-CE3 4.09Å; P175-L386 HydrophobicContact CB-CD1 4.25Å; P175-F390 HydrophobicContact CB-CE2 4.06Å; P175-F390 HydrophobicContact CG-CD2 4.5Å; P175-F390 HydrophobicContact CG-CE2 3.73Å; P175-F390 HydrophobicContact CG-CZ 3.9Å
176	V	95.4	Very high	94.8	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-83.9	134.6	178.9	-172.7	0	0	0	0	109.8	Y174 F178 F317 V319 L322 Y381 S382 W383	Y174-V176 HydrophobicContact CD1-CG2 4.06Å; Y174-V176 PolarHBondContact O-N 2.94Å; V176-F178 HydrophobicContact CB-CD2 4.16Å; V176-F178 HydrophobicContact CB-CE1 4.2Å; V176-F178 HydrophobicContact CB-CE2 3.63Å; V176-F178 HydrophobicContact CB-CZ 3.66Å; V176-F178 HydrophobicContact CG1-CD1 3.88Å; V176-F178 HydrophobicContact CG1-CD2 4.17Å; V176-F178 HydrophobicContact CG1-CE1 3.58Å; V176-F178 HydrophobicContact CG1-CE2 3.88Å; V176-F178 HydrophobicContact CG1-CG 4.17Å; V176-F178 HydrophobicContact CG1-CZ 3.58Å; V176-F178 HydrophobicContact CG2-CE2 4.44Å; V176-F178 HydrophobicContact CG2-CZ 4.15Å; V176-F178 PolarHBondContact O-N 2.94Å; V176-F317 HydrophobicContact CG2-CE1 3.92Å; V176-V319 HydrophobicContact CG1-CG1 4.48Å; V176-V319 HydrophobicContact CG2-CG1 4.4Å; V176-L322 HydrophobicContact CG2-CD1 4.48Å; V176-Y381 PolarHBondContact N-O 3.31Å; V176-S382 VanDerWaalsContact O-CA 3.32Å; V176-S382 WeakPolarHBondContact O-CA 3.25Å; V176-W383 PolarHBondContact O-N 2.96Å
177	Q	93.3	Very high	94.2	Very high	108 Å²	108	48.2 Å²	48.2	51%	0.505	27%	0.273	S	S	.	.			trans	-91.2	92.4	167.4	-71.5	-176	-43.4	0	0	109.4	L29 P179	L29-Q177 HydrophobicContact CD1-CG 3.93Å; Q177-P179 WeakPolarHBondContact O-CD 3.46Å
178	F	92.8	Very high	93.5	Very high	38 Å²	38	43.5 Å²	43.5	17%	0.167	24%	0.241	C	C	.	.			trans	-76.1	116.9	173.4	-64.6	-69.9	0	0	0	110	V176 L322 H326 T378	V176-F178 HydrophobicContact CB-CD2 4.16Å; V176-F178 HydrophobicContact CB-CE1 4.2Å; V176-F178 HydrophobicContact CB-CE2 3.63Å; V176-F178 HydrophobicContact CB-CZ 3.66Å; V176-F178 HydrophobicContact CG1-CD1 3.88Å; V176-F178 HydrophobicContact CG1-CD2 4.17Å; V176-F178 HydrophobicContact CG1-CE1 3.58Å; V176-F178 HydrophobicContact CG1-CE2 3.88Å; V176-F178 HydrophobicContact CG1-CG 4.17Å; V176-F178 HydrophobicContact CG1-CZ 3.58Å; V176-F178 HydrophobicContact CG2-CE2 4.44Å; V176-F178 HydrophobicContact CG2-CZ 4.15Å; V176-F178 PolarHBondContact O-N 2.94Å; F178-L322 HydrophobicContact CE1-CB 4.25Å; F178-L322 HydrophobicContact CZ-CB 4.09Å; F178-H326 HydrophobicContact CD1-CB 3.6Å; F178-H326 AromaticContact CD1-CD2 3.95Å; F178-H326 AromaticContact CD1-CG 3.46Å; F178-H326 VanDerWaalsContact CD1-CG 3.46Å; F178-H326 AromaticContact CD1-ND1 3.76Å; F178-H326 HydrophobicContact CE1-CB 3.81Å; F178-H326 AromaticContact CG-CG 3.97Å; F178-H326 AromaticContact CG-ND1 3.82Å; F178-T378 WeakPolarHBondContact CE2-O 3.41Å; F178-T378 HydrophobicContact CZ-CG2 4.48Å
179	P	90.6	Very high	93	Very high	41 Å²	41	41.5 Å²	41.5	27%	0.266	23%	0.232	S	C	.	.			trans	-74.7	154.5	174.3	30.4	-29.8	0	0	0	110.4	Q177 V181 L299 H326	Q177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-V181 HydrophobicContact CG-CG1 4.24Å; P179-V181 PolarHBondContact O-N 3.25Å; P179-V181 VanDerWaalsContact O-N 3.17Å; P179-L299 HydrophobicContact CB-CD1 4.24Å; P179-L299 HydrophobicContact CG-CD1 3.43Å; P179-L299 VanDerWaalsContact CG-CD1 3.43Å; P179-L299 HydrophobicContact CG-CD2 3.92Å; P179-L299 HydrophobicContact CG-CG 4.32Å; P179-H326 PolarHBondContact O-NE2 3.39Å; P179-H326 VanDerWaalsContact O-NE2 3.12Å
180	D	91.7	Very high	92.3	Very high	127 Å²	127	42.9 Å²	42.9	68%	0.679	24%	0.239	S	C	*	.			trans	-66.9	115.7	167.9	-178.7	12.4	0	0	0	109.5	S182	D180-S182 WeakPolarHBondContact OD1-CB 3.46Å; D180-S182 PolarHBondContact OD1-N 2.88Å; D180-S182 PolarHBondContact OD1-OG 3.42Å
181	V	92.9	Very high	91.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	24%	0.242	C	C	.	.			trans	-102.6	3.5	-179.8	-65	0	0	0	0	112.7	P179 S183 L184 L185 L299	P179-V181 HydrophobicContact CG-CG1 4.24Å; P179-V181 PolarHBondContact O-N 3.25Å; P179-V181 VanDerWaalsContact O-N 3.17Å; V181-S183 PolarHBondContact O-N 2.87Å; V181-S183 VanDerWaalsContact O-N 3.1Å; V181-L184 WeakPolarHBondContact O-CA 3.49Å; V181-L184 WeakPolarHBondContact O-CB 3.43Å; V181-L184 PolarHBondContact O-N 2.86Å; V181-L185 HydrophobicContact CG2-CD1 4.24Å; V181-L185 HydrophobicContact CG2-CD2 4.3Å; V181-L185 HydrophobicContact CG2-CG 4.16Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 3.23Å; V181-L185 VanDerWaalsContact O-N 3.13Å; V181-L299 HydrophobicContact CG1-CD2 4.29Å
182	S	90.9	Very high	90.6	Very high	40 Å²	40	44.3 Å²	44.3	28%	0.28	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.4	-171.8	-56.2	0	0	0	0	113.2	D180 L184	D180-S182 WeakPolarHBondContact OD1-CB 3.46Å; D180-S182 PolarHBondContact OD1-N 2.88Å; D180-S182 PolarHBondContact OD1-OG 3.42Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 3.18Å
183	S	91.2	Very high	89.6	Confident	111 Å²	111	47.8 Å²	47.8	78%	0.776	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.9	177.3	62.8	0	0	0	0	114.6	V181	V181-S183 PolarHBondContact O-N 2.87Å; V181-S183 VanDerWaalsContact O-N 3.1Å
184	L	91.6	Very high	88.4	Confident	60 Å²	60	51.1 Å²	51.1	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-18.8	179.7	-58	179	0	0	0	112.2	V181 S182 L299 C303	V181-L184 WeakPolarHBondContact O-CA 3.49Å; V181-L184 WeakPolarHBondContact O-CB 3.43Å; V181-L184 PolarHBondContact O-N 2.86Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 3.18Å; L184-L299 HydrophobicContact CD1-CB 4.01Å; L184-C303 HydrophobicContact CB-CB 4.14Å
185	L	90.8	Very high	86.9	Confident	15 Å²	15	55 Å²	55	8%	0.079	28%	0.28	C	S	.	.	S	Bend	trans	-69.7	132.3	-176	-73	177.6	0	0	0	111.6	V181 K189 L190 L193 C303 C327	V181-L185 HydrophobicContact CG2-CD1 4.24Å; V181-L185 HydrophobicContact CG2-CD2 4.3Å; V181-L185 HydrophobicContact CG2-CG 4.16Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 3.23Å; V181-L185 VanDerWaalsContact O-N 3.13Å; L185-K189 HydrophobicContact CB-CB 4.16Å; L185-K189 HydrophobicContact CD2-CB 3.99Å; L185-K189 HydrophobicContact CD2-CD 3.94Å; L185-K189 HydrophobicContact CG-CB 4.46Å; L185-L190 HydrophobicContact CB-CB 4.4Å; L185-L193 HydrophobicContact CD1-CD1 3.66Å; L185-C303 HydrophobicContact CD2-CB 4.22Å; L185-C327 WeakPolarHBondContact CD2-O 3.16Å
186	P	88	Confident	85.4	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	29%	0.291	C	S	.	.			trans	-56.5	152.2	166.7	-24.3	33.1	0	0	0	111.8	H188 K189 L190 C303	P186-H188 VanDerWaalsContact C-N 3.26Å; P186-H188 PolarHBondContact O-N 3.49Å; P186-H188 VanDerWaalsContact O-N 3.11Å; P186-K189 HydrophobicContact CB-CG 4.43Å; P186-K189 HydrophobicContact CG-CG 4.4Å; P186-K189 WeakPolarHBondContact O-CA 3.3Å; P186-K189 WeakPolarHBondContact O-CB 3.3Å; P186-K189 PolarHBondContact O-N 3.47Å; P186-L190 PolarHBondContact O-N 2.91Å; P186-C303 VanDerWaalsContact CD-O 3.25Å; P186-C303 WeakPolarHBondContact CD-O 3.33Å
187	E	84.9	Confident	83.8	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-51.5	-41.9	-175.3	-74.4	-168.7	-162.4	0	0	113.6	K189 L190 R191	E187-K189 VanDerWaalsContact C-N 3.28Å; E187-K189 PolarHBondContact O-N 3.18Å; E187-L190 PolarHBondContact O-N 2.86Å; E187-R191 WeakPolarHBondContact O-CB 3.13Å; E187-R191 VanDerWaalsContact O-CG 3.27Å; E187-R191 WeakPolarHBondContact O-CG 3.2Å; E187-R191 PolarHBondContact O-N 3.34Å; E187-R191 IonicContact OE2-CZ 3.73Å; E187-R191 IonicContact OE2-NH2 2.84Å; E187-R191 PolarHBondContact OE2-NH2 3.1Å
188	H	83.1	Confident	82.1	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-31.8	-179.9	70.6	-97.1	0	0	0	112	P186 R192 L219 D223	P186-H188 VanDerWaalsContact C-N 3.26Å; P186-H188 PolarHBondContact O-N 3.49Å; P186-H188 VanDerWaalsContact O-N 3.11Å; H188-R192 WeakPolarHBondContact O-CG 3.46Å; H188-R192 PolarHBondContact O-N 3.37Å; H188-L219 HydrophobicContact CB-CD2 3.94Å; H188-D223 IonicContact CE1-OD2 3.59Å; H188-D223 IonicContact CG-OD2 3.83Å; H188-D223 IonicContact ND1-OD1 2.96Å; H188-D223 IonicContact ND1-OD2 2.88Å; H188-D223 PolarHBondContact ND1-OD2 3.03Å
189	K	88.4	Confident	80.3	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-75.1	-43.7	175.1	-56.5	-151.3	170.1	167.1	0	111.5	L185 P186 E187 R191 R192 L193 L302 C303 A305 C327	L185-K189 HydrophobicContact CB-CB 4.16Å; L185-K189 HydrophobicContact CD2-CB 3.99Å; L185-K189 HydrophobicContact CD2-CD 3.94Å; L185-K189 HydrophobicContact CG-CB 4.46Å; P186-K189 HydrophobicContact CB-CG 4.43Å; P186-K189 HydrophobicContact CG-CG 4.4Å; P186-K189 WeakPolarHBondContact O-CA 3.3Å; P186-K189 WeakPolarHBondContact O-CB 3.3Å; P186-K189 PolarHBondContact O-N 3.47Å; E187-K189 VanDerWaalsContact C-N 3.28Å; E187-K189 PolarHBondContact O-N 3.18Å; K189-R191 PolarHBondContact O-N 2.82Å; K189-R192 VanDerWaalsContact CG-NH2 3.27Å; K189-R192 WeakPolarHBondContact O-CB 3.39Å; K189-R192 PolarHBondContact O-N 2.92Å; K189-L193 PolarHBondContact O-N 2.86Å; K189-L193 VanDerWaalsContact O-N 3.08Å; K189-L302 PolarHBondContact NZ-O 3.37Å; K189-C303 VanDerWaalsContact CE-O 3.28Å; K189-C303 WeakPolarHBondContact CE-O 3.33Å; K189-C303 PolarHBondContact NZ-O 3.28Å; K189-A305 WeakPolarHBondContact CE-O 3.49Å; K189-A305 PolarHBondContact NZ-O 3.5Å; K189-C327 WeakPolarHBondContact CD-O 3.4Å; K189-C327 PolarHBondContact NZ-O 2.8Å
190	L	85.1	Confident	78.5	Confident	49 Å²	49	64.4 Å²	64.4	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-44	179.1	-173	66.7	0	0	0	111.9	L185 P186 E187 R192 L193 H194	L185-L190 HydrophobicContact CB-CB 4.4Å; P186-L190 PolarHBondContact O-N 2.91Å; E187-L190 PolarHBondContact O-N 2.86Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.13Å; L190-L193 WeakPolarHBondContact O-CB 3.42Å; L190-L193 PolarHBondContact O-N 3.44Å; L190-L193 VanDerWaalsContact O-N 3.14Å; L190-H194 PolarHBondContact O-N 3.05Å
191	R	80.1	Confident	76.5	Confident	113 Å²	113	66.1 Å²	66.1	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-35.4	176.8	-70.7	176.7	-166.6	-170	6.7	113	E187 K189 R195	E187-R191 WeakPolarHBondContact O-CB 3.13Å; E187-R191 VanDerWaalsContact O-CG 3.27Å; E187-R191 WeakPolarHBondContact O-CG 3.2Å; E187-R191 PolarHBondContact O-N 3.34Å; E187-R191 IonicContact OE2-CZ 3.73Å; E187-R191 IonicContact OE2-NH2 2.84Å; E187-R191 PolarHBondContact OE2-NH2 3.1Å; K189-R191 PolarHBondContact O-N 2.82Å; R191-R195 PolarHBondContact O-N 3.16Å
192	R	80	Confident	74.2	Confident	19 Å²	19	73.7 Å²	73.7	7%	0.072	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-47.1	173.4	-72.1	-178.2	-60.1	178.5	2.2	110.1	H188 K189 L190 H194 R195 S196 G328 A369 R370 H372	H188-R192 WeakPolarHBondContact O-CG 3.46Å; H188-R192 PolarHBondContact O-N 3.37Å; K189-R192 VanDerWaalsContact CG-NH2 3.27Å; K189-R192 WeakPolarHBondContact O-CB 3.39Å; K189-R192 PolarHBondContact O-N 2.92Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.13Å; R192-H194 PolarHBondContact O-N 2.71Å; R192-R195 PolarHBondContact O-N 2.79Å; R192-S196 PolarHBondContact O-N 2.74Å; R192-S196 PolarHBondContact O-OG 3.38Å; R192-G328 PolarHBondContact NH2-O 3.45Å; R192-A369 PolarHBondContact NH1-O 2.96Å; R192-A369 VanDerWaalsContact NH1-O 3.08Å; R192-R370 PolarHBondContact NE-O 2.81Å; R192-R370 VanDerWaalsContact NH1-C 3.3Å; R192-R370 PolarHBondContact NH1-O 3Å; R192-H372 PolarHBondContact NH1-O 3.31Å
193	L	77.1	Confident	71.9	Confident	77 Å²	77	77.8 Å²	77.8	40%	0.403	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-43.8	-176.2	-152.6	142	0	0	0	112.3	L185 K189 L190 S196 A197	L185-L193 HydrophobicContact CD1-CD1 3.66Å; K189-L193 PolarHBondContact O-N 2.86Å; K189-L193 VanDerWaalsContact O-N 3.08Å; L190-L193 WeakPolarHBondContact O-CB 3.42Å; L190-L193 PolarHBondContact O-N 3.44Å; L190-L193 VanDerWaalsContact O-N 3.14Å; L193-S196 PolarHBondContact O-N 3.11Å; L193-A197 PolarHBondContact O-N 3.34Å
194	H	73.9	Confident	69.5	Low	102 Å²	102	79.2 Å²	79.2	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-42.7	174.9	-66.4	169.2	0	0	0	112.8	L190 R192 A197 E198	L190-H194 PolarHBondContact O-N 3.05Å; R192-H194 PolarHBondContact O-N 2.71Å; H194-A197 WeakPolarHBondContact O-CB 3.43Å; H194-A197 PolarHBondContact O-N 3.37Å; H194-E198 WeakPolarHBondContact O-CG 3.29Å; H194-E198 PolarHBondContact O-N 3.48Å; H194-E198 VanDerWaalsContact O-N 3.08Å
195	R	66.2	Low	67	Low	87 Å²	87	80.6 Å²	80.6	33%	0.328	41%	0.414	S	S	.	.	H	α-helix	trans	-67.5	-36.6	178.6	-94	-172.3	-106	179.9	-11.4	113.3	R191 R192 A197 E198 T199 D214	R191-R195 PolarHBondContact O-N 3.16Å; R192-R195 PolarHBondContact O-N 2.79Å; R195-A197 VanDerWaalsContact C-N 3.27Å; R195-A197 PolarHBondContact O-N 3.5Å; R195-E198 PolarHBondContact O-N 3.11Å; R195-T199 WeakPolarHBondContact O-CB 3.37Å; R195-T199 PolarHBondContact O-N 3.39Å; R195-T199 PolarHBondContact O-OG1 3.33Å; R195-D214 IonicContact NH1-OD2 2.96Å; R195-D214 PolarHBondContact NH1-OD2 3.03Å
196	S	65.6	Low	64.3	Low	39 Å²	39	91.3 Å²	91.3	27%	0.273	45%	0.454	S	S	.	.	H	α-helix	trans	-60.5	-40.3	173.5	-54.6	0	0	0	0	111.1	R192 L193 T199 N200	R192-S196 PolarHBondContact O-N 2.74Å; R192-S196 PolarHBondContact O-OG 3.38Å; L193-S196 PolarHBondContact O-N 3.11Å; S196-T199 PolarHBondContact O-N 2.87Å; S196-N200 WeakPolarHBondContact O-CB 3.36Å; S196-N200 PolarHBondContact O-N 3Å
197	A	61.7	Low	61.7	Low	52 Å²	52	95.6 Å²	95.6	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-66.4	-39.9	176.9	0	0	0	0	0	112.6	L193 H194 R195 Q201	L193-A197 PolarHBondContact O-N 3.34Å; H194-A197 WeakPolarHBondContact O-CB 3.43Å; H194-A197 PolarHBondContact O-N 3.37Å; R195-A197 VanDerWaalsContact C-N 3.27Å; R195-A197 PolarHBondContact O-N 3.5Å; A197-Q201 WeakPolarHBondContact O-CG 3.46Å; A197-Q201 PolarHBondContact O-N 2.84Å
198	E	57.1	Low	59.7	Low	118 Å²	118	99.1 Å²	99.1	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-67.1	-40.4	176	-70	171.4	178	0	0	112.5	H194 R195 Q201 Q202	H194-E198 WeakPolarHBondContact O-CG 3.29Å; H194-E198 PolarHBondContact O-N 3.48Å; H194-E198 VanDerWaalsContact O-N 3.08Å; R195-E198 PolarHBondContact O-N 3.11Å; E198-Q201 PolarHBondContact O-N 3.38Å; E198-Q202 PolarHBondContact O-N 2.81Å
199	T	55.4	Low	57.5	Low	66 Å²	66	107.9 Å²	107.9	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-69	-39.6	-179.8	-47.2	0	0	0	0	111.4	R195 S196 Q201 Q202 Q203	R195-T199 WeakPolarHBondContact O-CB 3.37Å; R195-T199 PolarHBondContact O-N 3.39Å; R195-T199 PolarHBondContact O-OG1 3.33Å; S196-T199 PolarHBondContact O-N 2.87Å; T199-Q201 VanDerWaalsContact C-N 3.28Å; T199-Q201 PolarHBondContact O-N 3.27Å; T199-Q202 PolarHBondContact O-N 3.48Å; T199-Q202 VanDerWaalsContact O-N 3.1Å; T199-Q203 HydrophobicContact CG2-CG 4.37Å; T199-Q203 PolarHBondContact O-N 3.45Å
200	N	53.3	Low	55.1	Low	119 Å²	119	114.4 Å²	114.4	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-66.3	-26.1	175.7	-79.4	-5.4	0	0	0	113.3	S196 Q202	S196-N200 WeakPolarHBondContact O-CB 3.36Å; S196-N200 PolarHBondContact O-N 3Å; N200-Q202 VanDerWaalsContact C-N 3.35Å
201	Q	48.1	Very low	53.1	Low	163 Å²	163	115.8 Å²	115.8	76%	0.762	59%	0.587	S	S	*	*	H	α-helix	trans	-75.6	-22.9	172.9	-72	178.3	17.8	0	0	112.9	A197 E198 T199	A197-Q201 WeakPolarHBondContact O-CG 3.46Å; A197-Q201 PolarHBondContact O-N 2.84Å; E198-Q201 PolarHBondContact O-N 3.38Å; T199-Q201 VanDerWaalsContact C-N 3.28Å; T199-Q201 PolarHBondContact O-N 3.27Å
202	Q	45.6	Very low	51.3	Low	163 Å²	163	114.9 Å²	114.9	76%	0.762	60%	0.599	S	S	*	*	H	α-helix	trans	-98.2	-20	-179.9	-68.1	-179.5	8.8	0	0	113.6	E198 T199 N200 T204	E198-Q202 PolarHBondContact O-N 2.81Å; T199-Q202 PolarHBondContact O-N 3.48Å; T199-Q202 VanDerWaalsContact O-N 3.1Å; N200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-T204 PolarHBondContact O-N 2.73Å
203	Q	43.2	Very low	49.8	Very low	126 Å²	126	117.9 Å²	117.9	59%	0.589	62%	0.62	S	S	*	*			trans	-93.1	68.6	177.2	-78.3	-178.4	-19.8	0	0	112.5	T199	T199-Q203 HydrophobicContact CG2-CG 4.37Å; T199-Q203 PolarHBondContact O-N 3.45Å
204	T	39.9	Very low	48.6	Very low	140 Å²	140	116.2 Å²	116.2	86%	0.859	61%	0.612	S	S	*	*	S	Bend	trans	-95.8	8.2	155.2	35.8	0	0	0	0	112.6	Q202	Q202-T204 PolarHBondContact O-N 2.73Å
205	S	39.6	Very low	47.4	Very low	89 Å²	89	116.7 Å²	116.7	62%	0.622	62%	0.624	S	S	*	*	S	Bend	trans	-156.2	96.7	172.7	63.7	0	0	0	0	112.7
206	R	34	Very low	46.6	Very low	240 Å²	240	121.5 Å²	121.5	91%	0.906	64%	0.643	S	S	*	*			trans	164.7	137.6	138.8	-90.8	165.4	-176.2	-157.9	0.3	111.4
207	C	34.3	Very low	46.4	Very low	119 Å²	119	120.1 Å²	120.1	80%	0.804	63%	0.632	S	S	*	*			trans	-75.7	144.6	179.8	-65.7	0	0	0	0	113.3
208	E	42.5	Very low	46.5	Very low	187 Å²	187	122.6 Å²	122.6	87%	0.874	64%	0.642	S	S	*	*			trans	45.3	87	142.8	-61.3	-175.8	172.9	0	0	118.9
209	E	36.6	Very low	47.1	Very low	192 Å²	192	117 Å²	117	90%	0.897	62%	0.616	S	S	*	*			trans	-137.3	139.7	143.2	-74.8	-171.3	168.9	0	0	109.5
210	D	36.8	Very low	47.9	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	61%	0.608	S	S	*	*			trans	-57	131.1	176.1	-95.6	-32.9	0	0	0	111	S212	D210-S212 PolarHBondContact O-N 2.95Å
211	P	44.1	Very low	48.5	Very low	78 Å²	78	115.1 Å²	115.1	51%	0.506	61%	0.611	S	S	.	*			trans	-71.7	100.7	176.6	27.2	-29.9	0	0	0	110	M375	P211-M375 WeakPolarHBondContact CD-SD 3.47Å; P211-M375 HydrophobicContact CG-CG 4.09Å; P211-M375 HydrophobicContact CG-SD 3.27Å; P211-M375 WeakPolarHBondContact CG-SD 3.24Å
212	S	42.6	Very low	49.5	Very low	95 Å²	95	112.4 Å²	112.4	66%	0.664	61%	0.605	S	S	*	*			trans	-59	151.3	166	70.4	0	0	0	0	111.3	D210 D214	D210-S212 PolarHBondContact O-N 2.95Å; S212-D214 PolarHBondContact O-N 3.21Å
213	P	49.1	Very low	50.8	Low	81 Å²	81	105.7 Å²	105.7	53%	0.526	57%	0.574	S	S	.	*			trans	-58.4	121.9	178.4	1.1	0.2	0	0	0	110.7	P215	P213-P215 WeakPolarHBondContact O-CD 3.19Å
214	D	50.9	Low	52.1	Low	42 Å²	42	105.4 Å²	105.4	23%	0.225	57%	0.573	C	S	.	*			trans	-67.9	114.7	-175.4	-179.5	10.8	0	0	0	110.9	R195 S212 R216 T217	R195-D214 IonicContact NH1-OD2 2.96Å; R195-D214 PolarHBondContact NH1-OD2 3.03Å; S212-D214 PolarHBondContact O-N 3.21Å; D214-R216 PolarHBondContact O-N 2.75Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.45Å; D214-R216 IonicContact OD1-NE 3.56Å; D214-T217 PolarHBondContact O-N 2.8Å
215	P	48	Very low	54	Low	113 Å²	113	104.7 Å²	104.7	73%	0.734	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-9.3	178.8	25.3	-32.9	0	0	0	113.6	P213	P213-P215 WeakPolarHBondContact O-CD 3.19Å
216	R	50.9	Low	56.5	Low	188 Å²	188	103.1 Å²	103.1	71%	0.709	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.8	-177.9	-65.4	176.7	-79.6	-170.6	-7.9	115	D214 V218	D214-R216 PolarHBondContact O-N 2.75Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.45Å; D214-R216 IonicContact OD1-NE 3.56Å; R216-V218 PolarHBondContact O-N 3.32Å; R216-V218 VanDerWaalsContact O-N 3.13Å
217	T	60.3	Low	59.4	Low	9 Å²	9	93 Å²	93	6%	0.055	52%	0.515	C	S	.	.			trans	-80.3	92.9	170.6	-54.9	0	0	0	0	109.7	D214 L219 R371	D214-T217 PolarHBondContact O-N 2.8Å; T217-L219 PolarHBondContact O-N 3.42Å; T217-L219 VanDerWaalsContact O-N 3.16Å; T217-R371 HydrophobicContact CG2-CG 4.27Å; T217-R371 PolarHBondContact O-NE 3.18Å
218	V	63.8	Low	62.4	Low	104 Å²	104	87.4 Å²	87.4	63%	0.63	48%	0.477	S	S	*	.			trans	-71.5	106.4	176.2	-175.3	0	0	0	0	108.9	R216	R216-V218 PolarHBondContact O-N 3.32Å; R216-V218 VanDerWaalsContact O-N 3.13Å
219	L	71.1	Confident	65.1	Low	2 Å²	2	78.7 Å²	78.7	1%	0.01	44%	0.436	C	S	.	.			trans	-71.7	144.5	171.5	-64.6	175.6	0	0	0	109.7	H188 T217 D223 Q224 D367 R370 R371	H188-L219 HydrophobicContact CB-CD2 3.94Å; T217-L219 PolarHBondContact O-N 3.42Å; T217-L219 VanDerWaalsContact O-N 3.16Å; L219-D223 HydrophobicContact CB-CB 4.13Å; L219-D223 HydrophobicContact CD2-CB 4.43Å; L219-Q224 HydrophobicContact CB-CG 3.8Å; L219-Q224 PolarHBondContact O-NE2 3.22Å; L219-D367 HydrophobicContact CD1-CB 3.77Å; L219-R370 HydrophobicContact CD1-CB 4.45Å; L219-R370 HydrophobicContact CD2-CB 3.81Å; L219-R371 HydrophobicContact CD1-CG 4.4Å; L219-R371 HydrophobicContact CD2-CG 4.38Å; L219-R371 HydrophobicContact CG-CG 4.39Å
220	T	71.3	Confident	68	Low	40 Å²	40	69.5 Å²	69.5	25%	0.245	39%	0.394	C	S	.	.			trans	-61.3	153.9	171.4	67.7	0	0	0	0	110	V222 D223 Q224	T220-V222 PolarHBondContact O-N 2.95Å; T220-V222 VanDerWaalsContact O-N 3.16Å; T220-D223 CarbonylContact O-C 3.6Å; T220-D223 PolarHBondContact O-N 2.86Å; T220-D223 WeakPolarHBondContact OG1-CB 3.19Å; T220-D223 PolarHBondContact OG1-N 3.49Å; T220-D223 VanDerWaalsContact OG1-N 3.12Å; T220-D223 PolarHBondContact OG1-OD2 2.78Å; T220-Q224 WeakPolarHBondContact O-CG 3.37Å; T220-Q224 PolarHBondContact O-N 3.19Å
221	P	66.7	Low	71	Confident	105 Å²	105	62.8 Å²	62.8	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-54.9	-34.2	176.7	-26.4	34.9	0	0	0	112.9	Q224 V225	P221-Q224 PolarHBondContact O-N 3.14Å; P221-V225 WeakPolarHBondContact O-CG2 3.34Å
222	V	68.6	Low	73.6	Confident	106 Å²	106	59 Å²	59	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-66	-46.2	175.4	-178.7	0	0	0	0	110.8	T220 Q224 V225 K226	T220-V222 PolarHBondContact O-N 2.95Å; T220-V222 VanDerWaalsContact O-N 3.16Å; V222-Q224 PolarHBondContact O-N 3Å; V222-V225 PolarHBondContact O-N 3.49Å; V222-K226 WeakPolarHBondContact O-CB 3.11Å; V222-K226 PolarHBondContact O-N 2.91Å
223	D	73	Confident	76.2	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-12.2	177.8	-68.6	-32.5	0	0	0	113.6	H188 L219 T220 R370	H188-D223 IonicContact CE1-OD2 3.59Å; H188-D223 IonicContact CG-OD2 3.83Å; H188-D223 IonicContact ND1-OD1 2.96Å; H188-D223 IonicContact ND1-OD2 2.88Å; H188-D223 PolarHBondContact ND1-OD2 3.03Å; L219-D223 HydrophobicContact CB-CB 4.13Å; L219-D223 HydrophobicContact CD2-CB 4.43Å; T220-D223 CarbonylContact O-C 3.6Å; T220-D223 PolarHBondContact O-N 2.86Å; T220-D223 WeakPolarHBondContact OG1-CB 3.19Å; T220-D223 PolarHBondContact OG1-N 3.49Å; T220-D223 VanDerWaalsContact OG1-N 3.12Å; T220-D223 PolarHBondContact OG1-OD2 2.78Å; D223-R370 PolarHBondContact O-NH1 3.44Å
224	Q	70.7	Confident	78.5	Confident	121 Å²	121	51.4 Å²	51.4	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-83.5	-26	174.1	-69.5	177.8	21.7	0	0	112.5	L219 T220 P221 V222	L219-Q224 HydrophobicContact CB-CG 3.8Å; L219-Q224 PolarHBondContact O-NE2 3.22Å; T220-Q224 WeakPolarHBondContact O-CG 3.37Å; T220-Q224 PolarHBondContact O-N 3.19Å; P221-Q224 PolarHBondContact O-N 3.14Å; V222-Q224 PolarHBondContact O-N 3Å
225	V	79.3	Confident	80.4	Confident	124 Å²	124	54.3 Å²	54.3	75%	0.752	29%	0.288	S	S	*	.	H	α-helix	trans	-108.5	-20.8	-175	-165.5	0	0	0	0	111.6	P221 V222	P221-V225 WeakPolarHBondContact O-CG2 3.34Å; V222-V225 PolarHBondContact O-N 3.49Å
226	K	91.1	Very high	82.7	Confident	57 Å²	57	50 Å²	50	25%	0.248	26%	0.257	C	S	.	.	S	Bend	trans	-61.7	130	179.9	-173	-176.7	176.8	-168.4	0	111.2	V222 R370	V222-K226 WeakPolarHBondContact O-CB 3.11Å; V222-K226 PolarHBondContact O-N 2.91Å; K226-R370 PolarHBondContact O-NH1 3.41Å; K226-R370 PolarHBondContact O-NH2 3.42Å
227	P	95.4	Very high	84.6	Confident	28 Å²	28	42.9 Å²	42.9	18%	0.182	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.5	158.9	174.1	-24.2	34.9	0	0	0	112.6	H229 D258 R370	P227-H229 PolarHBondContact O-N 3.34Å; P227-D258 HydrophobicContact CB-CB 4.29Å; P227-D258 HydrophobicContact CG-CB 4.37Å; P227-D258 WeakPolarHBondContact CG-OD2 3.37Å; P227-R370 PolarHBondContact O-NH2 3.15Å
228	L	97.9	Very high	86	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	127.1	177.8	-173.5	77.8	0	0	0	110.7	I230 F259 Q260 D306 V307 L362 P366 A369	L228-I230 HydrophobicContact CD2-CD1 4.09Å; L228-I230 HydrophobicContact CD2-CG1 3.73Å; L228-I230 HydrophobicContact CG-CG1 4.17Å; L228-F259 CarbonylContact O-C 3.42Å; L228-F259 WeakPolarHBondContact O-CA 3.42Å; L228-F259 WeakPolarHBondContact O-CB 3.12Å; L228-Q260 PolarHBondContact O-N 3.04Å; L228-D306 HydrophobicContact CD1-CB 3.68Å; L228-D306 HydrophobicContact CG-CB 4.41Å; L228-V307 HydrophobicContact CD1-CG2 3.84Å; L228-V307 HydrophobicContact CD2-CG2 4.16Å; L228-V307 HydrophobicContact CG-CG2 4.31Å; L228-L362 HydrophobicContact CD1-CB 4.22Å; L228-L362 HydrophobicContact CD2-CB 3.66Å; L228-P366 HydrophobicContact CB-CB 4.27Å; L228-P366 HydrophobicContact CB-CG 4.15Å; L228-P366 HydrophobicContact CD1-CB 4.01Å; L228-A369 HydrophobicContact CD1-CB 4.25Å
229	H	98.6	Very high	87.3	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.3	173.2	-174.6	-176.8	0	0	0	110.7	P227 Q260 S262 D304 A305 D306 V307	P227-H229 PolarHBondContact O-N 3.34Å; H229-Q260 WeakPolarHBondContact CA-O 3.02Å; H229-Q260 HydrophobicContact CB-CB 4.22Å; H229-S262 WeakPolarHBondContact NE2-CB 3.42Å; H229-S262 PolarHBondContact NE2-OG 3.35Å; H229-D304 PolarHBondContact ND1-O 2.88Å; H229-A305 WeakPolarHBondContact ND1-CA 3.33Å; H229-D306 PolarHBondContact N-OD2 3.15Å; H229-D306 PolarHBondContact O-N 2.97Å; H229-V307 PolarHBondContact O-N 2.89Å; H229-V307 VanDerWaalsContact O-N 3.1Å
230	I	98.9	Very high	88.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129	178.4	-55	171	0	0	0	109.1	L228 F245 L249 L252 F259 Q260 L261 S262 V307 V309 L359	L228-I230 HydrophobicContact CD2-CD1 4.09Å; L228-I230 HydrophobicContact CD2-CG1 3.73Å; L228-I230 HydrophobicContact CG-CG1 4.17Å; I230-F245 HydrophobicContact CG2-CE2 4.07Å; I230-F245 HydrophobicContact CG2-CZ 4.14Å; I230-L249 HydrophobicContact CD1-CD2 3.78Å; I230-L252 HydrophobicContact CD1-CD1 4.41Å; I230-F259 HydrophobicContact CD1-CB 4.23Å; I230-F259 HydrophobicContact CD1-CD2 4.13Å; I230-F259 HydrophobicContact CD1-CG 4.27Å; I230-Q260 PolarHBondContact N-O 2.91Å; I230-L261 CarbonylContact O-C 3.52Å; I230-L261 WeakPolarHBondContact O-CA 3.37Å; I230-S262 PolarHBondContact O-N 3.32Å; I230-V307 WeakPolarHBondContact CA-O 3.34Å; I230-V309 HydrophobicContact CG2-CG2 3.78Å; I230-L359 HydrophobicContact CD1-CD2 4.08Å; I230-L359 HydrophobicContact CG1-CD2 4.44Å
231	V	98.9	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.5	174.5	66.7	0	0	0	0	112.2	S262 L264 L302 A305 V307 V308 V309	V231-S262 CarbonylContact C-O 3.57Å; V231-S262 VanDerWaalsContact CA-O 3.3Å; V231-S262 WeakPolarHBondContact CA-O 3.35Å; V231-L264 HydrophobicContact CG2-CD1 3.82Å; V231-L264 HydrophobicContact CG2-CG 4.09Å; V231-L302 HydrophobicContact CG1-CD2 4.11Å; V231-L302 HydrophobicContact CG2-CD2 3.97Å; V231-A305 HydrophobicContact CB-CB 3.83Å; V231-A305 HydrophobicContact CG1-CB 3.58Å; V231-V307 PolarHBondContact N-O 2.69Å; V231-V308 HydrophobicContact CG1-CB 3.87Å; V231-V308 HydrophobicContact CG1-CG2 4.03Å; V231-V308 WeakPolarHBondContact O-CA 3.47Å; V231-V309 PolarHBondContact O-N 3.06Å
232	W	98.7	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	95.9	173.1	-170.6	88.7	0	0	0	108.8	H234 R235 K240 P242 F245 S262 V263 L264 F275 V309 T311	W232-H234 AromaticContact CD1-CD2 3.71Å; W232-H234 HydrophobicContact CD2-CB 3.96Å; W232-H234 AromaticContact CD2-CD2 3.74Å; W232-H234 AromaticContact CE2-CD2 3.59Å; W232-H234 HydrophobicContact CE3-CB 3.85Å; W232-H234 AromaticContact CG-CD2 3.85Å; W232-H234 HydrophobicContact CH2-CB 3.54Å; W232-H234 HydrophobicContact CZ2-CB 3.64Å; W232-H234 HydrophobicContact CZ3-CB 3.65Å; W232-H234 VanDerWaalsContact CZ3-O 3.24Å; W232-H234 WeakPolarHBondContact CZ3-O 3.32Å; W232-H234 AromaticContact NE1-CD2 3.56Å; W232-H234 PolarHBondContact O-N 3.34Å; W232-R235 WeakPolarHBondContact CH2-O 3.21Å; W232-K240 HydrophobicContact CH2-CB 3.81Å; W232-K240 HydrophobicContact CZ2-CB 3.59Å; W232-P242 HydrophobicContact CH2-CB 4.17Å; W232-P242 HydrophobicContact CZ2-CB 4.21Å; W232-F245 HydrophobicContact CB-CD1 4.08Å; W232-F245 HydrophobicContact CB-CE1 3.5Å; W232-F245 VanDerWaalsContact CB-CE1 3.5Å; W232-F245 HydrophobicContact CB-CE2 3.99Å; W232-F245 HydrophobicContact CB-CZ 3.45Å; W232-F245 VanDerWaalsContact CB-CZ 3.45Å; W232-F245 AromaticContact CD1-CD1 3.79Å; W232-F245 AromaticContact CD1-CD2 3.58Å; W232-F245 AromaticContact CD1-CE2 3.85Å; W232-F245 AromaticContact CD1-CG 3.55Å; W232-F245 HydrophobicContact CD2-CD1 4.27Å; W232-F245 AromaticContact CG-CD1 3.81Å; W232-F245 HydrophobicContact CG-CD1 3.81Å; W232-F245 HydrophobicContact CG-CD2 4.25Å; W232-F245 AromaticContact CG-CE1 3.76Å; W232-F245 HydrophobicContact CG-CE1 3.76Å; W232-F245 HydrophobicContact CG-CE2 4.21Å; W232-F245 HydrophobicContact CG-CG 4.05Å; W232-F245 AromaticContact CG-CZ 3.97Å; W232-F245 HydrophobicContact CG-CZ 3.97Å; W232-F245 AromaticContact NE1-CG 3.85Å; W232-S262 PolarHBondContact N-O 2.82Å; W232-V263 HydrophobicContact CE3-CG1 3.87Å; W232-V263 HydrophobicContact CZ3-CG1 4.37Å; W232-L264 PolarHBondContact O-N 3.22Å; W232-F275 HydrophobicContact CH2-CE1 4.46Å; W232-F275 AromaticContact CH2-CZ 3.82Å; W232-F275 HydrophobicContact CH2-CZ 3.82Å; W232-F275 AromaticContact CZ3-CE1 3.95Å; W232-F275 HydrophobicContact CZ3-CE1 3.95Å; W232-F275 AromaticContact CZ3-CZ 3.72Å; W232-F275 HydrophobicContact CZ3-CZ 3.72Å; W232-V309 VanDerWaalsContact CD1-O 3.26Å; W232-T311 PolarHBondContact NE1-OG1 3.12Å; W232-T311 VanDerWaalsContact NE1-OG1 3.11Å
233	P	97.6	Very high	92.5	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	57.6	-171.5	37.8	-34.9	0	0	0	112	L264 Y298 L302 V308 A320	P233-L264 CarbonylContact C-O 3.58Å; P233-Y298 HydrophobicContact CB-CE2 4.02Å; P233-L302 HydrophobicContact CB-CD2 4.35Å; P233-V308 HydrophobicContact CG-CG2 3.76Å; P233-A320 HydrophobicContact CB-CB 4.34Å; P233-A320 HydrophobicContact CG-CB 4.13Å; P233-A320 WeakPolarHBondContact O-CB 3.41Å
234	H	96.3	Very high	93.7	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.037	17%	0.174	C	C	.	.			trans	-121.7	152	-175.4	-64	-81.4	0	0	0	111.4	W232 K240 L264 V309	W232-H234 AromaticContact CD1-CD2 3.71Å; W232-H234 HydrophobicContact CD2-CB 3.96Å; W232-H234 AromaticContact CD2-CD2 3.74Å; W232-H234 AromaticContact CE2-CD2 3.59Å; W232-H234 HydrophobicContact CE3-CB 3.85Å; W232-H234 AromaticContact CG-CD2 3.85Å; W232-H234 HydrophobicContact CH2-CB 3.54Å; W232-H234 HydrophobicContact CZ2-CB 3.64Å; W232-H234 HydrophobicContact CZ3-CB 3.65Å; W232-H234 VanDerWaalsContact CZ3-O 3.24Å; W232-H234 WeakPolarHBondContact CZ3-O 3.32Å; W232-H234 AromaticContact NE1-CD2 3.56Å; W232-H234 PolarHBondContact O-N 3.34Å; H234-K240 HydrophobicContact CB-CB 3.97Å; H234-K240 HydrophobicContact CB-CD 4.32Å; H234-K240 HydrophobicContact CB-CG 3.94Å; H234-L264 PolarHBondContact N-O 3.16Å; H234-L264 VanDerWaalsContact N-O 3.1Å; H234-V309 PolarHBondContact NE2-O 2.87Å
235	R	92.5	Very high	95.1	Very high	103 Å²	103	30.1 Å²	30.1	39%	0.389	15%	0.147	S	C	.	.			trans	-56.7	145.5	169.7	-62	-177.5	-51.4	171.4	5.1	109.9	W232 E237 F268	W232-R235 WeakPolarHBondContact CH2-O 3.21Å; R235-E237 HydrophobicContact CB-CG 4.17Å; R235-E237 IonicContact CZ-OE2 2.86Å; R235-E237 IonicContact NE-OE2 2.77Å; R235-E237 PolarHBondContact NE-OE2 2.86Å; R235-E237 IonicContact NH1-OE2 3.36Å; R235-E237 IonicContact NH2-OE2 2.98Å; R235-E237 PolarHBondContact NH2-OE2 3.42Å; R235-E237 PolarHBondContact O-N 2.89Å; R235-F268 HydrophobicContact CB-CE2 3.96Å; R235-F268 HydrophobicContact CG-CE2 3.86Å
236	W	94.3	Very high	96	Very high	22 Å²	22	24.2 Å²	24.2	8%	0.083	11%	0.112	C	C	.	.	S	Bend	trans	-80	67.8	-176.6	-71.6	25.8	0	0	0	111.4	V263 E266 T267 V271 P272 F275 W289 G290	W236-V263 HydrophobicContact CZ2-CG1 4.05Å; W236-E266 PolarHBondContact N-O 3.19Å; W236-E266 VanDerWaalsContact N-O 3.15Å; W236-T267 HydrophobicContact CB-CG2 4.1Å; W236-T267 HydrophobicContact CD2-CG2 3.64Å; W236-T267 HydrophobicContact CE3-CG2 3.48Å; W236-T267 VanDerWaalsContact CE3-CG2 3.48Å; W236-T267 HydrophobicContact CG-CG2 3.93Å; W236-T267 HydrophobicContact CZ3-CG2 3.99Å; W236-V271 HydrophobicContact CB-CG1 4.48Å; W236-V271 HydrophobicContact CE3-CG1 3.73Å; W236-V271 HydrophobicContact CZ3-CG1 4.44Å; W236-P272 VanDerWaalsContact O-CD 3.31Å; W236-P272 WeakPolarHBondContact O-CD 3.15Å; W236-F275 HydrophobicContact CB-CD2 4.34Å; W236-F275 HydrophobicContact CB-CE1 4.22Å; W236-F275 HydrophobicContact CB-CE2 3.71Å; W236-F275 HydrophobicContact CB-CZ 3.66Å; W236-F275 AromaticContact CD1-CE1 3.68Å; W236-F275 AromaticContact CD1-CZ 3.78Å; W236-F275 AromaticContact CD2-CD1 3.47Å; W236-F275 HydrophobicContact CD2-CD1 3.47Å; W236-F275 VanDerWaalsContact CD2-CD1 3.47Å; W236-F275 HydrophobicContact CD2-CD2 4.27Å; W236-F275 AromaticContact CD2-CE1 3.39Å; W236-F275 HydrophobicContact CD2-CE1 3.39Å; W236-F275 HydrophobicContact CD2-CE2 4.2Å; W236-F275 AromaticContact CD2-CG 3.94Å; W236-F275 HydrophobicContact CD2-CG 3.94Å; W236-F275 AromaticContact CD2-CZ 3.79Å; W236-F275 HydrophobicContact CD2-CZ 3.79Å; W236-F275 AromaticContact CE2-CD1 3.7Å; W236-F275 AromaticContact CE2-CE1 3.56Å; W236-F275 HydrophobicContact CE3-CB 4Å; W236-F275 AromaticContact CE3-CD1 3.52Å; W236-F275 HydrophobicContact CE3-CD1 3.52Å; W236-F275 HydrophobicContact CE3-CD2 4.03Å; W236-F275 AromaticContact CE3-CE1 3.95Å; W236-F275 HydrophobicContact CE3-CE1 3.95Å; W236-F275 HydrophobicContact CE3-CE2 4.39Å; W236-F275 AromaticContact CE3-CG 3.59Å; W236-F275 HydrophobicContact CE3-CG 3.59Å; W236-F275 HydrophobicContact CE3-CZ 4.37Å; W236-F275 HydrophobicContact CG-CD1 4.07Å; W236-F275 HydrophobicContact CG-CD2 4.44Å; W236-F275 AromaticContact CG-CE1 3.51Å; W236-F275 HydrophobicContact CG-CE1 3.51Å; W236-F275 AromaticContact CG-CE2 3.92Å; W236-F275 HydrophobicContact CG-CE2 3.92Å; W236-F275 AromaticContact CG-CZ 3.45Å; W236-F275 HydrophobicContact CG-CZ 3.45Å; W236-F275 VanDerWaalsContact CG-CZ 3.45Å; W236-F275 HydrophobicContact CH2-CD1 4.15Å; W236-F275 HydrophobicContact CZ2-CD1 4.02Å; W236-F275 HydrophobicContact CZ2-CE1 4.26Å; W236-F275 HydrophobicContact CZ3-CB 3.99Å; W236-F275 AromaticContact CZ3-CD1 3.89Å; W236-F275 HydrophobicContact CZ3-CD1 3.89Å; W236-F275 HydrophobicContact CZ3-CG 4.02Å; W236-F275 AromaticContact NE1-CE1 3.69Å; W236-W289 AromaticContact CH2-CD1 3.53Å; W236-W289 HydrophobicContact CH2-CD2 4.31Å; W236-W289 AromaticContact CH2-CE2 3.63Å; W236-W289 HydrophobicContact CH2-CG 4.22Å; W236-W289 HydrophobicContact CH2-CZ2 4.17Å; W236-W289 AromaticContact CH2-NE1 3.16Å; W236-W289 HydrophobicContact CZ2-CD2 4.34Å; W236-W289 AromaticContact CZ2-CE2 3.99Å; W236-W289 HydrophobicContact CZ2-CG 4.35Å; W236-W289 HydrophobicContact CZ2-CZ2 4.47Å; W236-W289 AromaticContact CZ2-NE1 3.9Å; W236-W289 AromaticContact CZ3-NE1 3.98Å; W236-G290 VanDerWaalsContact CZ2-CA 3.49Å
237	E	91.4	Very high	96.3	Very high	39 Å²	39	25 Å²	25	18%	0.182	12%	0.118	C	C	.	.	S	Bend	trans	-132	155.6	-173.6	-62.8	-175.4	122.9	0	0	111.3	R235 D239 K240 P242 F268	R235-E237 HydrophobicContact CB-CG 4.17Å; R235-E237 IonicContact CZ-OE2 2.86Å; R235-E237 IonicContact NE-OE2 2.77Å; R235-E237 PolarHBondContact NE-OE2 2.86Å; R235-E237 IonicContact NH1-OE2 3.36Å; R235-E237 IonicContact NH2-OE2 2.98Å; R235-E237 PolarHBondContact NH2-OE2 3.42Å; R235-E237 PolarHBondContact O-N 2.89Å; E237-D239 VanDerWaalsContact C-N 3.31Å; E237-D239 WeakPolarHBondContact CB-OD1 3.26Å; E237-D239 PolarHBondContact O-N 3.21Å; E237-K240 PolarHBondContact O-N 3.42Å; E237-P242 WeakPolarHBondContact O-CD 3.36Å; E237-F268 HydrophobicContact CG-CD2 4.11Å
238	H	90.6	Very high	96.5	Very high	63 Å²	63	23.8 Å²	23.8	29%	0.292	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-66.9	-29.4	-174.4	-67.2	-104.2	0	0	0	113.7	R108 K240 N241	R108-H238 PolarHBondContact NH1-CD2 3.32Å; R108-H238 PolarHBondContact NH1-NE2 2.98Å; R108-H238 PolarHBondContact NH2-CD2 2.8Å; H238-K240 PolarHBondContact O-N 2.83Å; H238-N241 WeakPolarHBondContact O-CA 3.22Å; H238-N241 PolarHBondContact O-N 3.38Å
239	D	91.1	Very high	96.5	Very high	16 Å²	16	23.8 Å²	23.8	9%	0.086	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.6	178.8	64.2	-72.7	0	0	0	112.2	E237 N241 K313 H314	E237-D239 VanDerWaalsContact C-N 3.31Å; E237-D239 WeakPolarHBondContact CB-OD1 3.26Å; E237-D239 PolarHBondContact O-N 3.21Å; D239-N241 VanDerWaalsContact C-N 3.26Å; D239-K313 WeakPolarHBondContact O-CA 3.42Å; D239-K313 PolarHBondContact O-N 3.23Å; D239-H314 HydrophobicContact CB-CB 4.05Å; D239-H314 PolarHBondContact O-N 3.23Å
240	K	95	Very high	96.5	Very high	16 Å²	16	25 Å²	25	7%	0.07	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-83.1	-4.6	171.9	-54.4	-57.8	178.4	-166.7	0	113.2	W232 H234 E237 H238 T311 A312 H314 E315	W232-K240 HydrophobicContact CH2-CB 3.81Å; W232-K240 HydrophobicContact CZ2-CB 3.59Å; H234-K240 HydrophobicContact CB-CB 3.97Å; H234-K240 HydrophobicContact CB-CD 4.32Å; H234-K240 HydrophobicContact CB-CG 3.94Å; E237-K240 PolarHBondContact O-N 3.42Å; H238-K240 PolarHBondContact O-N 2.83Å; K240-T311 CarbonylContact O-C 3.5Å; K240-T311 PolarHBondContact O-OG1 2.96Å; K240-A312 HydrophobicContact CD-CB 4.07Å; K240-H314 PolarHBondContact NZ-O 2.82Å; K240-E315 IonicContact NZ-OE2 2.91Å; K240-E315 PolarHBondContact NZ-OE2 3.25Å
241	N	96.5	Very high	96.5	Very high	18 Å²	18	29.6 Å²	29.6	10%	0.096	14%	0.137	C	C	.	.			trans	53.8	54	174.3	-165	24.7	0	0	0	114.2	H238 D239 E243 L244 T311 K313	H238-N241 WeakPolarHBondContact O-CA 3.22Å; H238-N241 PolarHBondContact O-N 3.38Å; D239-N241 VanDerWaalsContact C-N 3.26Å; N241-E243 PolarHBondContact O-N 2.95Å; N241-E243 VanDerWaalsContact O-N 3.14Å; N241-L244 VanDerWaalsContact ND2-CB 3.32Å; N241-L244 WeakPolarHBondContact ND2-CB 3.38Å; N241-L244 PolarHBondContact O-N 3.4Å; N241-T311 WeakPolarHBondContact CB-O 3.4Å; N241-T311 PolarHBondContact ND2-O 3.44Å; N241-T311 PolarHBondContact O-OG1 2.64Å; N241-K313 HydrophobicContact CB-CD 3.89Å; N241-K313 HydrophobicContact CB-CG 3.89Å; N241-K313 WeakPolarHBondContact OD1-CE 3.49Å; N241-K313 PolarHBondContact OD1-NZ 3.36Å
242	P	97.3	Very high	96.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-25.1	-179.6	25.2	-34.7	0	0	0	112.8	W232 E237 L244 F245 F246 P272 I274 F275	W232-P242 HydrophobicContact CH2-CB 4.17Å; W232-P242 HydrophobicContact CZ2-CB 4.21Å; E237-P242 WeakPolarHBondContact O-CD 3.36Å; P242-L244 PolarHBondContact O-N 2.93Å; P242-F245 PolarHBondContact O-N 3.49Å; P242-F246 HydrophobicContact CB-CD2 3.94Å; P242-F246 HydrophobicContact CB-CE2 3.77Å; P242-F246 WeakPolarHBondContact O-CD2 3.2Å; P242-F246 PolarHBondContact O-N 3.36Å; P242-P272 HydrophobicContact CG-CB 4.05Å; P242-P272 HydrophobicContact CG-CG 3.87Å; P242-I274 HydrophobicContact CB-CG2 3.97Å; P242-I274 HydrophobicContact CG-CG2 3.98Å; P242-F275 HydrophobicContact CB-CD2 4.42Å; P242-F275 HydrophobicContact CB-CE1 4.33Å; P242-F275 HydrophobicContact CB-CE2 3.63Å; P242-F275 HydrophobicContact CB-CZ 3.56Å; P242-F275 HydrophobicContact CG-CD2 4.42Å; P242-F275 HydrophobicContact CG-CE2 3.59Å; P242-F275 HydrophobicContact CG-CZ 3.97Å
243	E	98	Very high	96.4	Very high	94 Å²	94	32.7 Å²	32.7	44%	0.439	15%	0.151	S	C	.	.	H	α-helix	trans	-57.6	-48.6	174.8	-71.8	179.3	-147.7	0	0	112.8	N241 F245 N247 I274	N241-E243 PolarHBondContact O-N 2.95Å; N241-E243 VanDerWaalsContact O-N 3.14Å; E243-F245 VanDerWaalsContact C-N 3.28Å; E243-F245 PolarHBondContact O-N 3.46Å; E243-N247 WeakPolarHBondContact O-CB 3.39Å; E243-N247 PolarHBondContact O-N 3.48Å; E243-N247 PolarHBondContact O-ND2 2.85Å; E243-I274 HydrophobicContact CG-CB 4.22Å; E243-I274 HydrophobicContact CG-CG2 4.02Å
244	L	98.4	Very high	96.4	Very high	31 Å²	31	39.2 Å²	39.2	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177.2	172.5	58.5	0	0	0	110.7	N241 P242 T248 T311 Y349 P352 L355	N241-L244 VanDerWaalsContact ND2-CB 3.32Å; N241-L244 WeakPolarHBondContact ND2-CB 3.38Å; N241-L244 PolarHBondContact O-N 3.4Å; P242-L244 PolarHBondContact O-N 2.93Å; L244-T248 WeakPolarHBondContact O-CB 3.3Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.09Å; L244-T248 PolarHBondContact O-OG1 3.13Å; L244-T311 HydrophobicContact CB-CG2 4.34Å; L244-T311 HydrophobicContact CD2-CG2 4.09Å; L244-T311 HydrophobicContact CG-CG2 4Å; L244-Y349 HydrophobicContact CD2-CE2 4.49Å; L244-P352 HydrophobicContact CD1-CB 3.54Å; L244-P352 HydrophobicContact CD1-CG 3.79Å; L244-L355 HydrophobicContact CD2-CD2 4.47Å; L244-L355 HydrophobicContact CG-CD2 4.31Å
245	F	98.7	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-57	-179.2	-179.3	-113.6	0	0	0	111.4	I230 W232 P242 E243 T248 L249 L261 V263 V309 T311	I230-F245 HydrophobicContact CG2-CE2 4.07Å; I230-F245 HydrophobicContact CG2-CZ 4.14Å; W232-F245 HydrophobicContact CB-CD1 4.08Å; W232-F245 HydrophobicContact CB-CE1 3.5Å; W232-F245 VanDerWaalsContact CB-CE1 3.5Å; W232-F245 HydrophobicContact CB-CE2 3.99Å; W232-F245 HydrophobicContact CB-CZ 3.45Å; W232-F245 VanDerWaalsContact CB-CZ 3.45Å; W232-F245 AromaticContact CD1-CD1 3.79Å; W232-F245 AromaticContact CD1-CD2 3.58Å; W232-F245 AromaticContact CD1-CE2 3.85Å; W232-F245 AromaticContact CD1-CG 3.55Å; W232-F245 HydrophobicContact CD2-CD1 4.27Å; W232-F245 AromaticContact CG-CD1 3.81Å; W232-F245 HydrophobicContact CG-CD1 3.81Å; W232-F245 HydrophobicContact CG-CD2 4.25Å; W232-F245 AromaticContact CG-CE1 3.76Å; W232-F245 HydrophobicContact CG-CE1 3.76Å; W232-F245 HydrophobicContact CG-CE2 4.21Å; W232-F245 HydrophobicContact CG-CG 4.05Å; W232-F245 AromaticContact CG-CZ 3.97Å; W232-F245 HydrophobicContact CG-CZ 3.97Å; W232-F245 AromaticContact NE1-CG 3.85Å; P242-F245 PolarHBondContact O-N 3.49Å; E243-F245 VanDerWaalsContact C-N 3.28Å; E243-F245 PolarHBondContact O-N 3.46Å; F245-T248 WeakPolarHBondContact O-CB 3.34Å; F245-T248 PolarHBondContact O-N 3.43Å; F245-T248 VanDerWaalsContact O-N 3.16Å; F245-L249 HydrophobicContact CD1-CD1 4.31Å; F245-L249 HydrophobicContact CE1-CD1 3.64Å; F245-L249 HydrophobicContact CE1-CG 4.49Å; F245-L249 HydrophobicContact CE2-CD1 4.14Å; F245-L249 HydrophobicContact CE2-CD2 4.48Å; F245-L249 HydrophobicContact CE2-CG 4.36Å; F245-L249 HydrophobicContact CZ-CD1 3.53Å; F245-L249 HydrophobicContact CZ-CG 4.24Å; F245-L249 PolarHBondContact O-N 3.28Å; F245-L249 VanDerWaalsContact O-N 3.09Å; F245-L261 HydrophobicContact CE1-CD1 3.95Å; F245-L261 HydrophobicContact CZ-CD1 3.74Å; F245-V263 HydrophobicContact CE1-CG2 4.18Å; F245-V309 HydrophobicContact CD2-CB 4.21Å; F245-V309 HydrophobicContact CD2-CG1 3.91Å; F245-V309 HydrophobicContact CE2-CB 3.87Å; F245-V309 HydrophobicContact CE2-CG1 4.07Å; F245-V309 HydrophobicContact CE2-CG2 4.22Å; F245-T311 HydrophobicContact CB-CG2 3.75Å; F245-T311 HydrophobicContact CD2-CG2 4.31Å
246	F	98.7	Very high	96.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-40.5	-176.6	-68.4	-55.2	0	0	0	113.1	P242 T248 L249 I250 V263 I274 F275 A278 L282 W289	P242-F246 HydrophobicContact CB-CD2 3.94Å; P242-F246 HydrophobicContact CB-CE2 3.77Å; P242-F246 WeakPolarHBondContact O-CD2 3.2Å; P242-F246 PolarHBondContact O-N 3.36Å; F246-T248 PolarHBondContact O-N 3.01Å; F246-L249 PolarHBondContact O-N 3.12Å; F246-L249 VanDerWaalsContact O-N 3.11Å; F246-I250 VanDerWaalsContact O-CG1 3.29Å; F246-I250 WeakPolarHBondContact O-CG1 3.45Å; F246-I250 PolarHBondContact O-N 2.82Å; F246-V263 HydrophobicContact CE1-CG2 3.79Å; F246-V263 HydrophobicContact CZ-CG1 4.07Å; F246-V263 HydrophobicContact CZ-CG2 3.99Å; F246-I274 HydrophobicContact CB-CD1 4.25Å; F246-I274 HydrophobicContact CB-CG1 3.75Å; F246-I274 HydrophobicContact CD2-CB 4.42Å; F246-I274 HydrophobicContact CD2-CG1 3.74Å; F246-I274 HydrophobicContact CD2-CG2 3.96Å; F246-I274 HydrophobicContact CE2-CG2 4.45Å; F246-I274 HydrophobicContact CG-CG1 4.15Å; F246-F275 AromaticContact CE2-CD1 3.43Å; F246-F275 HydrophobicContact CE2-CD1 3.43Å; F246-F275 VanDerWaalsContact CE2-CD1 3.43Å; F246-F275 HydrophobicContact CE2-CD2 4.46Å; F246-F275 AromaticContact CE2-CE1 3.49Å; F246-F275 HydrophobicContact CE2-CE1 3.49Å; F246-F275 VanDerWaalsContact CE2-CE1 3.49Å; F246-F275 AromaticContact CE2-CG 3.95Å; F246-F275 HydrophobicContact CE2-CG 3.95Å; F246-F275 HydrophobicContact CE2-CZ 4.06Å; F246-F275 AromaticContact CZ-CD1 3.55Å; F246-F275 HydrophobicContact CZ-CD1 3.55Å; F246-F275 AromaticContact CZ-CE1 3.62Å; F246-F275 HydrophobicContact CZ-CE1 3.62Å; F246-F275 HydrophobicContact CZ-CG 4.44Å; F246-A278 HydrophobicContact CB-CB 3.78Å; F246-A278 HydrophobicContact CD1-CB 3.45Å; F246-A278 VanDerWaalsContact CD1-CB 3.45Å; F246-A278 HydrophobicContact CD2-CB 3.96Å; F246-A278 HydrophobicContact CE1-CB 3.97Å; F246-A278 HydrophobicContact CE2-CB 4.41Å; F246-A278 HydrophobicContact CG-CB 3.45Å; F246-A278 VanDerWaalsContact CG-CB 3.45Å; F246-A278 HydrophobicContact CZ-CB 4.42Å; F246-L282 HydrophobicContact CD1-CD1 4.1Å; F246-W289 AromaticContact CE1-CH2 3.57Å; F246-W289 HydrophobicContact CE1-CH2 3.57Å; F246-W289 AromaticContact CE1-CZ3 3.82Å; F246-W289 HydrophobicContact CE1-CZ3 3.82Å; F246-W289 HydrophobicContact CE2-CH2 4.48Å; F246-W289 AromaticContact CZ-CH2 3.52Å; F246-W289 HydrophobicContact CZ-CH2 3.52Å; F246-W289 HydrophobicContact CZ-CZ2 4.37Å; F246-W289 HydrophobicContact CZ-CZ3 4.08Å
247	N	98.6	Very high	96.8	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-32.5	174.8	-71.5	-29	0	0	0	111.7	E243 K251	E243-N247 WeakPolarHBondContact O-CB 3.39Å; E243-N247 PolarHBondContact O-N 3.48Å; E243-N247 PolarHBondContact O-ND2 2.85Å; N247-K251 VanDerWaalsContact O-CG 3.28Å; N247-K251 WeakPolarHBondContact O-CG 3.25Å; N247-K251 PolarHBondContact O-N 2.79Å
248	T	98.7	Very high	97	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-48.8	172.9	-60	0	0	0	0	110.8	L244 F245 F246 I250 K251 L252 L355 C356 L359	L244-T248 WeakPolarHBondContact O-CB 3.3Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.09Å; L244-T248 PolarHBondContact O-OG1 3.13Å; F245-T248 WeakPolarHBondContact O-CB 3.34Å; F245-T248 PolarHBondContact O-N 3.43Å; F245-T248 VanDerWaalsContact O-N 3.16Å; F246-T248 PolarHBondContact O-N 3.01Å; T248-I250 PolarHBondContact O-N 2.89Å; T248-K251 WeakPolarHBondContact O-CB 3.3Å; T248-K251 PolarHBondContact O-N 2.83Å; T248-L252 WeakPolarHBondContact O-CG 3.4Å; T248-L252 PolarHBondContact O-N 3.31Å; T248-L252 VanDerWaalsContact O-N 3.08Å; T248-L355 HydrophobicContact CG2-CG 4.38Å; T248-C356 HydrophobicContact CG2-CB 3.85Å; T248-L359 HydrophobicContact CG2-CD1 3.88Å
249	L	98.7	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-37.9	-180	-62.6	-172.4	0	0	0	113.4	I230 F245 F246 K251 L252 K253 F259 L261 L282 L359	I230-L249 HydrophobicContact CD1-CD2 3.78Å; F245-L249 HydrophobicContact CD1-CD1 4.31Å; F245-L249 HydrophobicContact CE1-CD1 3.64Å; F245-L249 HydrophobicContact CE1-CG 4.49Å; F245-L249 HydrophobicContact CE2-CD1 4.14Å; F245-L249 HydrophobicContact CE2-CD2 4.48Å; F245-L249 HydrophobicContact CE2-CG 4.36Å; F245-L249 HydrophobicContact CZ-CD1 3.53Å; F245-L249 HydrophobicContact CZ-CG 4.24Å; F245-L249 PolarHBondContact O-N 3.28Å; F245-L249 VanDerWaalsContact O-N 3.09Å; F246-L249 PolarHBondContact O-N 3.12Å; F246-L249 VanDerWaalsContact O-N 3.11Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.78Å; L249-L252 HydrophobicContact CD2-CD1 3.83Å; L249-L252 WeakPolarHBondContact O-CB 3.4Å; L249-L252 PolarHBondContact O-N 2.98Å; L249-L252 VanDerWaalsContact O-N 3.11Å; L249-K253 PolarHBondContact O-N 2.78Å; L249-F259 HydrophobicContact CB-CE2 4.33Å; L249-F259 HydrophobicContact CB-CZ 4.1Å; L249-F259 HydrophobicContact CD1-CE2 4.3Å; L249-F259 HydrophobicContact CD2-CE2 4.24Å; L249-F259 HydrophobicContact CD2-CZ 4.49Å; L249-L261 HydrophobicContact CD1-CD1 3.51Å; L249-L261 HydrophobicContact CD1-CD2 3.69Å; L249-L261 HydrophobicContact CD1-CG 4.2Å; L249-L282 HydrophobicContact CB-CD1 3.82Å; L249-L282 HydrophobicContact CB-CD2 4.41Å; L249-L282 HydrophobicContact CD1-CD1 4.08Å; L249-L359 HydrophobicContact CD2-CD1 4.49Å
250	I	98.5	Very high	97.7	Very high	28 Å²	28	49.9 Å²	49.9	14%	0.144	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-45	174.1	-68.5	162	0	0	0	109.8	F246 T248 L252 K253 E254 L281 L282	F246-I250 VanDerWaalsContact O-CG1 3.29Å; F246-I250 WeakPolarHBondContact O-CG1 3.45Å; F246-I250 PolarHBondContact O-N 2.82Å; T248-I250 PolarHBondContact O-N 2.89Å; I250-L252 VanDerWaalsContact C-N 3.3Å; I250-L252 PolarHBondContact O-N 3.09Å; I250-K253 WeakPolarHBondContact O-CB 3.5Å; I250-K253 PolarHBondContact O-N 3.04Å; I250-K253 VanDerWaalsContact O-N 3.13Å; I250-E254 HydrophobicContact CG2-CG 4.42Å; I250-E254 WeakPolarHBondContact O-CG 3.4Å; I250-E254 PolarHBondContact O-N 3.14Å; I250-L281 HydrophobicContact CD1-CD1 3.72Å; I250-L281 HydrophobicContact CG1-CD1 4.25Å; I250-L282 HydrophobicContact CG1-CD2 4.32Å; I250-L282 HydrophobicContact CG1-CG 4.48Å
251	K	98.4	Very high	97.9	Very high	97 Å²	97	49.1 Å²	49.1	42%	0.422	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-33.8	174.2	-71	171.6	-178	179.9	0	113.3	N247 T248 L249 K255	N247-K251 VanDerWaalsContact O-CG 3.28Å; N247-K251 WeakPolarHBondContact O-CG 3.25Å; N247-K251 PolarHBondContact O-N 2.79Å; T248-K251 WeakPolarHBondContact O-CB 3.3Å; T248-K251 PolarHBondContact O-N 2.83Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.78Å; K251-K255 WeakPolarHBondContact O-CG 3.39Å; K251-K255 PolarHBondContact O-N 2.82Å
252	L	98.3	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-43.9	174	-58.3	-179	0	0	0	110.7	I230 T248 L249 I250 K255 Q256 L257 F259 L359 Q360	I230-L252 HydrophobicContact CD1-CD1 4.41Å; T248-L252 WeakPolarHBondContact O-CG 3.4Å; T248-L252 PolarHBondContact O-N 3.31Å; T248-L252 VanDerWaalsContact O-N 3.08Å; L249-L252 HydrophobicContact CD2-CD1 3.83Å; L249-L252 WeakPolarHBondContact O-CB 3.4Å; L249-L252 PolarHBondContact O-N 2.98Å; L249-L252 VanDerWaalsContact O-N 3.11Å; I250-L252 VanDerWaalsContact C-N 3.3Å; I250-L252 PolarHBondContact O-N 3.09Å; L252-K255 CarbonylContact O-C 3.53Å; L252-K255 WeakPolarHBondContact O-CB 3.12Å; L252-K255 PolarHBondContact O-N 3.06Å; L252-Q256 PolarHBondContact O-N 3.42Å; L252-L257 HydrophobicContact CB-CD1 4.49Å; L252-L257 HydrophobicContact CD2-CD1 4.08Å; L252-L257 WeakPolarHBondContact O-CB 3.43Å; L252-L257 PolarHBondContact O-N 3.29Å; L252-L257 VanDerWaalsContact O-N 3.15Å; L252-F259 HydrophobicContact CB-CD1 4.36Å; L252-F259 HydrophobicContact CB-CE1 3.87Å; L252-L359 HydrophobicContact CD1-CB 3.82Å; L252-L359 HydrophobicContact CD1-CD1 4.43Å; L252-L359 HydrophobicContact CD2-CB 4.38Å; L252-Q360 HydrophobicContact CD2-CB 4.21Å; L252-Q360 HydrophobicContact CD2-CG 3.26Å
253	K	97.5	Very high	98	Very high	66 Å²	66	48.2 Å²	48.2	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-42.2	178.4	-173.1	169.1	-173	158.4	0	112.6	L249 I250 K255 Q256 F259 L281 L282 S284 N285	L249-K253 PolarHBondContact O-N 2.78Å; I250-K253 WeakPolarHBondContact O-CB 3.5Å; I250-K253 PolarHBondContact O-N 3.04Å; I250-K253 VanDerWaalsContact O-N 3.13Å; K253-K255 PolarHBondContact O-N 2.82Å; K253-Q256 WeakPolarHBondContact O-CA 3.43Å; K253-Q256 PolarHBondContact O-N 3.48Å; K253-F259 HydrophobicContact CB-CE1 4.33Å; K253-L281 WeakPolarHBondContact CE-O 3.4Å; K253-L281 PolarHBondContact NZ-O 2.89Å; K253-L282 HydrophobicContact CB-CD2 4.34Å; K253-L282 HydrophobicContact CD-CD2 3.82Å; K253-S284 PolarHBondContact NZ-OG 3.44Å; K253-N285 PolarHBondContact NZ-OD1 2.99Å
254	E	97.4	Very high	98	Very high	143 Å²	143	43.8 Å²	43.8	67%	0.668	21%	0.208	S	C	*	.	H	α-helix	trans	-59.5	-30.6	173.4	-72.6	171.4	170.1	0	0	112.3	I250 Q256	I250-E254 HydrophobicContact CG2-CG 4.42Å; I250-E254 WeakPolarHBondContact O-CG 3.4Å; I250-E254 PolarHBondContact O-N 3.14Å; E254-Q256 PolarHBondContact O-N 3.49Å
255	K	97.3	Very high	97.7	Very high	117 Å²	117	43.1 Å²	43.1	51%	0.509	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8.1	173.1	-70.7	178.5	-178.1	-63.3	0	113.7	K251 L252 K253 L257	K251-K255 WeakPolarHBondContact O-CG 3.39Å; K251-K255 PolarHBondContact O-N 2.82Å; L252-K255 CarbonylContact O-C 3.53Å; L252-K255 WeakPolarHBondContact O-CB 3.12Å; L252-K255 PolarHBondContact O-N 3.06Å; K253-K255 PolarHBondContact O-N 2.82Å; K255-L257 HydrophobicContact CB-CD1 4.49Å; K255-L257 HydrophobicContact CB-CG 4.33Å; K255-L257 PolarHBondContact O-N 2.86Å
256	Q	97.1	Very high	97.1	Very high	184 Å²	184	47.9 Å²	47.9	86%	0.86	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	32.2	179.4	-54.4	175.3	16.3	0	0	113.1	L252 K253 E254	L252-Q256 PolarHBondContact O-N 3.42Å; K253-Q256 WeakPolarHBondContact O-CA 3.43Å; K253-Q256 PolarHBondContact O-N 3.48Å; E254-Q256 PolarHBondContact O-N 3.49Å
257	L	96.8	Very high	96.5	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.126	25%	0.251	C	S	.	.			trans	-84.5	134.7	171.9	-65	174.6	0	0	0	109.8	L252 K255 F259 Q360 C363 R364	L252-L257 HydrophobicContact CB-CD1 4.49Å; L252-L257 HydrophobicContact CD2-CD1 4.08Å; L252-L257 WeakPolarHBondContact O-CB 3.43Å; L252-L257 PolarHBondContact O-N 3.29Å; L252-L257 VanDerWaalsContact O-N 3.15Å; K255-L257 HydrophobicContact CB-CD1 4.49Å; K255-L257 HydrophobicContact CB-CG 4.33Å; K255-L257 PolarHBondContact O-N 2.86Å; L257-F259 WeakPolarHBondContact O-CD1 3.24Å; L257-Q360 HydrophobicContact CD1-CB 3.92Å; L257-Q360 HydrophobicContact CD1-CG 3.72Å; L257-C363 HydrophobicContact CB-CB 4.07Å; L257-C363 HydrophobicContact CD1-CB 4.14Å; L257-C363 HydrophobicContact CG-CB 4.49Å; L257-R364 HydrophobicContact CD2-CG 3.74Å
258	D	94.8	Very high	95.7	Very high	103 Å²	103	51.5 Å²	51.5	55%	0.551	25%	0.25	S	C	*	.			trans	-88.3	138.4	177.7	-161.7	9.2	0	0	0	111.4	P227	P227-D258 HydrophobicContact CB-CB 4.29Å; P227-D258 HydrophobicContact CG-CB 4.37Å; P227-D258 WeakPolarHBondContact CG-OD2 3.37Å
259	F	98.3	Very high	94.7	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	156.4	178.6	62.8	-87.3	0	0	0	110.9	L228 I230 L249 L252 K253 L257 L261 L282 N285	L228-F259 CarbonylContact O-C 3.42Å; L228-F259 WeakPolarHBondContact O-CA 3.42Å; L228-F259 WeakPolarHBondContact O-CB 3.12Å; I230-F259 HydrophobicContact CD1-CB 4.23Å; I230-F259 HydrophobicContact CD1-CD2 4.13Å; I230-F259 HydrophobicContact CD1-CG 4.27Å; L249-F259 HydrophobicContact CB-CE2 4.33Å; L249-F259 HydrophobicContact CB-CZ 4.1Å; L249-F259 HydrophobicContact CD1-CE2 4.3Å; L249-F259 HydrophobicContact CD2-CE2 4.24Å; L249-F259 HydrophobicContact CD2-CZ 4.49Å; L252-F259 HydrophobicContact CB-CD1 4.36Å; L252-F259 HydrophobicContact CB-CE1 3.87Å; K253-F259 HydrophobicContact CB-CE1 4.33Å; L257-F259 WeakPolarHBondContact O-CD1 3.24Å; F259-L261 HydrophobicContact CD2-CB 4.49Å; F259-L261 HydrophobicContact CE2-CB 4.41Å; F259-L282 HydrophobicContact CZ-CD2 4.12Å; F259-N285 HydrophobicContact CD2-CB 4.24Å; F259-N285 HydrophobicContact CE2-CB 3.92Å; F259-N285 HydrophobicContact CZ-CB 4.4Å; F259-N285 WeakPolarHBondContact O-CB 3.42Å; F259-N285 PolarHBondContact O-ND2 3.38Å
260	Q	98.6	Very high	93.9	Very high	47 Å²	47	63.2 Å²	63.2	22%	0.22	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.3	170.4	-69.5	178.6	-25.7	0	0	109.8	L228 H229 I230 N285 L287	L228-Q260 PolarHBondContact O-N 3.04Å; H229-Q260 WeakPolarHBondContact CA-O 3.02Å; H229-Q260 HydrophobicContact CB-CB 4.22Å; I230-Q260 PolarHBondContact N-O 2.91Å; Q260-N285 CarbonylContact C-O 3.54Å; Q260-N285 WeakPolarHBondContact CA-O 3.43Å; Q260-L287 HydrophobicContact CB-CD1 3.74Å; Q260-L287 HydrophobicContact CB-CG 4Å; Q260-L287 HydrophobicContact CG-CD1 4.16Å; Q260-L287 HydrophobicContact CG-CD2 4.42Å; Q260-L287 HydrophobicContact CG-CG 4.31Å
261	L	98.7	Very high	93.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132	-172.7	177.6	60	0	0	0	111.2	I230 F245 L249 F259 V263 L282 N285 I286 L287 N288 W289	I230-L261 CarbonylContact O-C 3.52Å; I230-L261 WeakPolarHBondContact O-CA 3.37Å; F245-L261 HydrophobicContact CE1-CD1 3.95Å; F245-L261 HydrophobicContact CZ-CD1 3.74Å; L249-L261 HydrophobicContact CD1-CD1 3.51Å; L249-L261 HydrophobicContact CD1-CD2 3.69Å; L249-L261 HydrophobicContact CD1-CG 4.2Å; F259-L261 HydrophobicContact CD2-CB 4.49Å; F259-L261 HydrophobicContact CE2-CB 4.41Å; L261-V263 HydrophobicContact CD1-CG2 3.87Å; L261-V263 HydrophobicContact CD2-CG2 3.96Å; L261-V263 HydrophobicContact CG-CG2 3.86Å; L261-L282 HydrophobicContact CD2-CB 4.37Å; L261-L282 HydrophobicContact CD2-CD1 3.87Å; L261-N285 PolarHBondContact N-O 2.64Å; L261-I286 HydrophobicContact CD2-CG1 4.07Å; L261-L287 PolarHBondContact O-N 3.22Å; L261-N288 PolarHBondContact O-N 3.24Å; L261-W289 HydrophobicContact CD2-CZ3 4.3Å
262	S	98.8	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115	164.7	-68.2	0	0	0	0	110	H229 I230 V231 W232 N288	H229-S262 WeakPolarHBondContact NE2-CB 3.42Å; H229-S262 PolarHBondContact NE2-OG 3.35Å; I230-S262 PolarHBondContact O-N 3.32Å; V231-S262 CarbonylContact C-O 3.57Å; V231-S262 VanDerWaalsContact CA-O 3.3Å; V231-S262 WeakPolarHBondContact CA-O 3.35Å; W232-S262 PolarHBondContact N-O 2.82Å; S262-N288 WeakPolarHBondContact CA-O 3.26Å; S262-N288 PolarHBondContact OG-ND2 2.93Å
263	V	98.4	Very high	92.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.7	173.5	-179.3	0	0	0	0	106.7	W232 W236 F245 F246 L261 F275 N288 W289 G290	W232-V263 HydrophobicContact CE3-CG1 3.87Å; W232-V263 HydrophobicContact CZ3-CG1 4.37Å; W236-V263 HydrophobicContact CZ2-CG1 4.05Å; F245-V263 HydrophobicContact CE1-CG2 4.18Å; F246-V263 HydrophobicContact CE1-CG2 3.79Å; F246-V263 HydrophobicContact CZ-CG1 4.07Å; F246-V263 HydrophobicContact CZ-CG2 3.99Å; L261-V263 HydrophobicContact CD1-CG2 3.87Å; L261-V263 HydrophobicContact CD2-CG2 3.96Å; L261-V263 HydrophobicContact CG-CG2 3.86Å; V263-F275 HydrophobicContact CG1-CD1 4.34Å; V263-F275 HydrophobicContact CG1-CE1 3.83Å; V263-N288 PolarHBondContact N-O 3.12Å; V263-W289 HydrophobicContact CB-CD2 4.38Å; V263-W289 HydrophobicContact CB-CE3 3.7Å; V263-W289 HydrophobicContact CB-CZ3 3.83Å; V263-W289 HydrophobicContact CG1-CE3 4.46Å; V263-W289 HydrophobicContact CG1-CZ3 4.37Å; V263-W289 HydrophobicContact CG2-CE3 3.69Å; V263-W289 HydrophobicContact CG2-CH2 4.2Å; V263-W289 HydrophobicContact CG2-CZ3 3.38Å; V263-W289 CarbonylContact O-C 3.49Å; V263-W289 WeakPolarHBondContact O-CA 3.48Å; V263-G290 PolarHBondContact O-N 3.12Å
264	L	97.6	Very high	92.8	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.4	-174.4	-48	179.5	0	0	0	109.5	V231 W232 P233 H234 N288 G290 L292 Y298 V301 L302	V231-L264 HydrophobicContact CG2-CD1 3.82Å; V231-L264 HydrophobicContact CG2-CG 4.09Å; W232-L264 PolarHBondContact O-N 3.22Å; P233-L264 CarbonylContact C-O 3.58Å; H234-L264 PolarHBondContact N-O 3.16Å; H234-L264 VanDerWaalsContact N-O 3.1Å; L264-N288 HydrophobicContact CD2-CB 3.69Å; L264-G290 WeakPolarHBondContact CA-O 3.1Å; L264-L292 HydrophobicContact CD1-CD1 4.2Å; L264-L292 HydrophobicContact CD2-CD1 3.78Å; L264-L292 HydrophobicContact CD2-CG 4.21Å; L264-Y298 HydrophobicContact CB-CE2 4.47Å; L264-Y298 HydrophobicContact CD1-CD2 3.74Å; L264-Y298 HydrophobicContact CD1-CE2 3.95Å; L264-V301 HydrophobicContact CD1-CB 4.15Å; L264-V301 HydrophobicContact CD1-CG1 3.77Å; L264-V301 HydrophobicContact CD2-CG1 4.27Å; L264-V301 HydrophobicContact CG-CG1 4.46Å; L264-L302 HydrophobicContact CD1-CD2 4.39Å
265	G	91.9	Very high	92.8	Very high	17 Å²	17	59.9 Å²	59.9	18%	0.175	31%	0.308	C	S	.	.			trans	143.5	158.8	171.3	0	0	0	0	0	113.1	G290 F291	G265-G290 PolarHBondContact N-O 3.41Å; G265-G290 CarbonylContact O-C 3.33Å; G265-F291 WeakPolarHBondContact O-CA 3.43Å; G265-F291 PolarHBondContact O-N 3.21Å; G265-F291 VanDerWaalsContact O-N 3.13Å
266	E	87.1	Confident	92.7	Very high	100 Å²	100	58 Å²	58	47%	0.467	31%	0.31	S	S	.	.			trans	-72.2	146.4	174.8	-168	173.5	-166.9	0	0	111.2	W236 F268 F291	W236-E266 PolarHBondContact N-O 3.19Å; W236-E266 VanDerWaalsContact N-O 3.15Å; E266-F268 HydrophobicContact CB-CE2 4.08Å; E266-F268 HydrophobicContact CB-CZ 4.05Å; E266-F268 HydrophobicContact CG-CE1 4.34Å; E266-F268 HydrophobicContact CG-CE2 4.21Å; E266-F268 HydrophobicContact CG-CZ 3.89Å; E266-F268 WeakPolarHBondContact OE2-CZ 3.4Å; E266-F291 HydrophobicContact CB-CD2 3.95Å; E266-F291 HydrophobicContact CB-CE2 4.49Å; E266-F291 HydrophobicContact CG-CD2 4.34Å
267	T	85.8	Confident	92.6	Very high	69 Å²	69	51.5 Å²	51.5	42%	0.423	29%	0.285	S	S	.	.			trans	-104.2	135.3	174.9	53.8	0	0	0	0	110.2	W236 V271	W236-T267 HydrophobicContact CB-CG2 4.1Å; W236-T267 HydrophobicContact CD2-CG2 3.64Å; W236-T267 HydrophobicContact CE3-CG2 3.48Å; W236-T267 VanDerWaalsContact CE3-CG2 3.48Å; W236-T267 HydrophobicContact CG-CG2 3.93Å; W236-T267 HydrophobicContact CZ3-CG2 3.99Å; T267-V271 HydrophobicContact CG2-CG2 4.27Å
268	F	81.7	Confident	92.7	Very high	81 Å²	81	50.4 Å²	50.4	36%	0.355	28%	0.279	S	S	.	.			trans	-109.4	-162.6	176.1	-59.9	-84.1	0	0	0	110.4	R235 E237 E266 D270	R235-F268 HydrophobicContact CB-CE2 3.96Å; R235-F268 HydrophobicContact CG-CE2 3.86Å; E237-F268 HydrophobicContact CG-CD2 4.11Å; E266-F268 HydrophobicContact CB-CE2 4.08Å; E266-F268 HydrophobicContact CB-CZ 4.05Å; E266-F268 HydrophobicContact CG-CE1 4.34Å; E266-F268 HydrophobicContact CG-CE2 4.21Å; E266-F268 HydrophobicContact CG-CZ 3.89Å; E266-F268 WeakPolarHBondContact OE2-CZ 3.4Å; F268-D270 PolarHBondContact O-N 3.27Å
269	T	76.7	Confident	92.8	Very high	138 Å²	138	49.6 Å²	49.6	85%	0.847	27%	0.272	S	S	*	.	S	Bend	trans	-63.2	-42.1	-173.9	-47.2	0	0	0	0	113.1
270	D	81.8	Confident	92.7	Very high	111 Å²	111	57 Å²	57	59%	0.594	31%	0.306	S	S	*	.			trans	-110.8	91.9	-175.3	-62.8	-30.8	0	0	0	110.9	F268	F268-D270 PolarHBondContact O-N 3.27Å
271	V	88.2	Confident	92.7	Very high	58 Å²	58	59.3 Å²	59.3	35%	0.352	32%	0.32	S	S	.	.			trans	-88.1	127.1	175.5	177.1	0	0	0	0	109.9	W236 T267 F275	W236-V271 HydrophobicContact CB-CG1 4.48Å; W236-V271 HydrophobicContact CE3-CG1 3.73Å; W236-V271 HydrophobicContact CZ3-CG1 4.44Å; T267-V271 HydrophobicContact CG2-CG2 4.27Å; V271-F275 HydrophobicContact CG1-CB 4.22Å; V271-F275 HydrophobicContact CG1-CD2 3.79Å; V271-F275 HydrophobicContact CG1-CG 4.24Å
272	P	91.7	Very high	92.6	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.019	32%	0.32	C	S	.	.			trans	-57	136.5	175.1	-26	33.5	0	0	0	113.6	W236 P242 I274 F275	W236-P272 VanDerWaalsContact O-CD 3.31Å; W236-P272 WeakPolarHBondContact O-CD 3.15Å; P242-P272 HydrophobicContact CG-CB 4.05Å; P242-P272 HydrophobicContact CG-CG 3.87Å; P272-I274 HydrophobicContact CB-CG2 3.99Å; P272-I274 PolarHBondContact O-N 2.9Å; P272-I274 VanDerWaalsContact O-N 3.08Å; P272-F275 HydrophobicContact CB-CD2 4.01Å; P272-F275 HydrophobicContact CB-CE2 4.17Å; P272-F275 HydrophobicContact CG-CD2 4.21Å; P272-F275 HydrophobicContact CG-CE2 3.94Å; P272-F275 WeakPolarHBondContact O-CD2 3.21Å; P272-F275 PolarHBondContact O-N 3.39Å; P272-F275 VanDerWaalsContact O-N 3.15Å
273	E	94.2	Very high	92.6	Very high	174 Å²	174	66.5 Å²	66.5	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.7	-177.9	-65.9	-177.6	175.6	0	0	114	F275 S276 S277	E273-F275 PolarHBondContact O-N 2.95Å; E273-F275 VanDerWaalsContact O-N 3.15Å; E273-S276 PolarHBondContact O-N 3.35Å; E273-S276 VanDerWaalsContact O-N 3.14Å; E273-S277 PolarHBondContact O-N 3.15Å
274	I	96.7	Very high	92.5	Very high	27 Å²	27	71.1 Å²	71.1	14%	0.138	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-27.6	179.2	-170.3	65.1	0	0	0	112.9	P242 E243 F246 P272 S277 A278	P242-I274 HydrophobicContact CB-CG2 3.97Å; P242-I274 HydrophobicContact CG-CG2 3.98Å; E243-I274 HydrophobicContact CG-CB 4.22Å; E243-I274 HydrophobicContact CG-CG2 4.02Å; F246-I274 HydrophobicContact CB-CD1 4.25Å; F246-I274 HydrophobicContact CB-CG1 3.75Å; F246-I274 HydrophobicContact CD2-CB 4.42Å; F246-I274 HydrophobicContact CD2-CG1 3.74Å; F246-I274 HydrophobicContact CD2-CG2 3.96Å; F246-I274 HydrophobicContact CE2-CG2 4.45Å; F246-I274 HydrophobicContact CG-CG1 4.15Å; P272-I274 HydrophobicContact CB-CG2 3.99Å; P272-I274 PolarHBondContact O-N 2.9Å; P272-I274 VanDerWaalsContact O-N 3.08Å; I274-S277 PolarHBondContact O-OG 3.15Å; I274-A278 WeakPolarHBondContact O-CB 3.38Å; I274-A278 PolarHBondContact O-N 3.08Å
275	F	96.7	Very high	92.5	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.009	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-48.3	176.6	-76.6	-82.7	0	0	0	111	W232 W236 P242 F246 V263 V271 P272 E273 S277 A278 Q279 W289	W232-F275 HydrophobicContact CH2-CE1 4.46Å; W232-F275 AromaticContact CH2-CZ 3.82Å; W232-F275 HydrophobicContact CH2-CZ 3.82Å; W232-F275 AromaticContact CZ3-CE1 3.95Å; W232-F275 HydrophobicContact CZ3-CE1 3.95Å; W232-F275 AromaticContact CZ3-CZ 3.72Å; W232-F275 HydrophobicContact CZ3-CZ 3.72Å; W236-F275 HydrophobicContact CB-CD2 4.34Å; W236-F275 HydrophobicContact CB-CE1 4.22Å; W236-F275 HydrophobicContact CB-CE2 3.71Å; W236-F275 HydrophobicContact CB-CZ 3.66Å; W236-F275 AromaticContact CD1-CE1 3.68Å; W236-F275 AromaticContact CD1-CZ 3.78Å; W236-F275 AromaticContact CD2-CD1 3.47Å; W236-F275 HydrophobicContact CD2-CD1 3.47Å; W236-F275 VanDerWaalsContact CD2-CD1 3.47Å; W236-F275 HydrophobicContact CD2-CD2 4.27Å; W236-F275 AromaticContact CD2-CE1 3.39Å; W236-F275 HydrophobicContact CD2-CE1 3.39Å; W236-F275 HydrophobicContact CD2-CE2 4.2Å; W236-F275 AromaticContact CD2-CG 3.94Å; W236-F275 HydrophobicContact CD2-CG 3.94Å; W236-F275 AromaticContact CD2-CZ 3.79Å; W236-F275 HydrophobicContact CD2-CZ 3.79Å; W236-F275 AromaticContact CE2-CD1 3.7Å; W236-F275 AromaticContact CE2-CE1 3.56Å; W236-F275 HydrophobicContact CE3-CB 4Å; W236-F275 AromaticContact CE3-CD1 3.52Å; W236-F275 HydrophobicContact CE3-CD1 3.52Å; W236-F275 HydrophobicContact CE3-CD2 4.03Å; W236-F275 AromaticContact CE3-CE1 3.95Å; W236-F275 HydrophobicContact CE3-CE1 3.95Å; W236-F275 HydrophobicContact CE3-CE2 4.39Å; W236-F275 AromaticContact CE3-CG 3.59Å; W236-F275 HydrophobicContact CE3-CG 3.59Å; W236-F275 HydrophobicContact CE3-CZ 4.37Å; W236-F275 HydrophobicContact CG-CD1 4.07Å; W236-F275 HydrophobicContact CG-CD2 4.44Å; W236-F275 AromaticContact CG-CE1 3.51Å; W236-F275 HydrophobicContact CG-CE1 3.51Å; W236-F275 AromaticContact CG-CE2 3.92Å; W236-F275 HydrophobicContact CG-CE2 3.92Å; W236-F275 AromaticContact CG-CZ 3.45Å; W236-F275 HydrophobicContact CG-CZ 3.45Å; W236-F275 VanDerWaalsContact CG-CZ 3.45Å; W236-F275 HydrophobicContact CH2-CD1 4.15Å; W236-F275 HydrophobicContact CZ2-CD1 4.02Å; W236-F275 HydrophobicContact CZ2-CE1 4.26Å; W236-F275 HydrophobicContact CZ3-CB 3.99Å; W236-F275 AromaticContact CZ3-CD1 3.89Å; W236-F275 HydrophobicContact CZ3-CD1 3.89Å; W236-F275 HydrophobicContact CZ3-CG 4.02Å; W236-F275 AromaticContact NE1-CE1 3.69Å; P242-F275 HydrophobicContact CB-CD2 4.42Å; P242-F275 HydrophobicContact CB-CE1 4.33Å; P242-F275 HydrophobicContact CB-CE2 3.63Å; P242-F275 HydrophobicContact CB-CZ 3.56Å; P242-F275 HydrophobicContact CG-CD2 4.42Å; P242-F275 HydrophobicContact CG-CE2 3.59Å; P242-F275 HydrophobicContact CG-CZ 3.97Å; F246-F275 AromaticContact CE2-CD1 3.43Å; F246-F275 HydrophobicContact CE2-CD1 3.43Å; F246-F275 VanDerWaalsContact CE2-CD1 3.43Å; F246-F275 HydrophobicContact CE2-CD2 4.46Å; F246-F275 AromaticContact CE2-CE1 3.49Å; F246-F275 HydrophobicContact CE2-CE1 3.49Å; F246-F275 VanDerWaalsContact CE2-CE1 3.49Å; F246-F275 AromaticContact CE2-CG 3.95Å; F246-F275 HydrophobicContact CE2-CG 3.95Å; F246-F275 HydrophobicContact CE2-CZ 4.06Å; F246-F275 AromaticContact CZ-CD1 3.55Å; F246-F275 HydrophobicContact CZ-CD1 3.55Å; F246-F275 AromaticContact CZ-CE1 3.62Å; F246-F275 HydrophobicContact CZ-CE1 3.62Å; F246-F275 HydrophobicContact CZ-CG 4.44Å; V263-F275 HydrophobicContact CG1-CD1 4.34Å; V263-F275 HydrophobicContact CG1-CE1 3.83Å; V271-F275 HydrophobicContact CG1-CB 4.22Å; V271-F275 HydrophobicContact CG1-CD2 3.79Å; V271-F275 HydrophobicContact CG1-CG 4.24Å; P272-F275 HydrophobicContact CB-CD2 4.01Å; P272-F275 HydrophobicContact CB-CE2 4.17Å; P272-F275 HydrophobicContact CG-CD2 4.21Å; P272-F275 HydrophobicContact CG-CE2 3.94Å; P272-F275 WeakPolarHBondContact O-CD2 3.21Å; P272-F275 PolarHBondContact O-N 3.39Å; P272-F275 VanDerWaalsContact O-N 3.15Å; E273-F275 PolarHBondContact O-N 2.95Å; E273-F275 VanDerWaalsContact O-N 3.15Å; F275-S277 PolarHBondContact O-N 3.29Å; F275-A278 PolarHBondContact O-N 3.22Å; F275-Q279 WeakPolarHBondContact O-CB 3.09Å; F275-Q279 PolarHBondContact O-N 3.49Å; F275-W289 HydrophobicContact CB-CZ2 4.17Å; F275-W289 HydrophobicContact CD1-CH2 4.33Å; F275-W289 AromaticContact CD1-CZ2 3.99Å; F275-W289 HydrophobicContact CD1-CZ2 3.99Å; F275-W289 WeakPolarHBondContact O-CZ2 3.28Å
276	S	94.8	Very high	92.8	Very high	78 Å²	78	72.7 Å²	72.7	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-44.6	-177.9	-58.1	0	0	0	0	112.2	E273 Q280	E273-S276 PolarHBondContact O-N 3.35Å; E273-S276 VanDerWaalsContact O-N 3.14Å; S276-Q280 PolarHBondContact O-N 3.22Å
277	S	96.3	Very high	93.4	Very high	48 Å²	48	72 Å²	72	34%	0.336	39%	0.389	S	S	.	.	H	α-helix	trans	-70.9	-40.8	178.4	58.3	0	0	0	0	112.2	E273 I274 F275 Q279 Q280 L281	E273-S277 PolarHBondContact O-N 3.15Å; I274-S277 PolarHBondContact O-OG 3.15Å; F275-S277 PolarHBondContact O-N 3.29Å; S277-Q279 VanDerWaalsContact C-N 3.33Å; S277-Q279 PolarHBondContact O-N 3.28Å; S277-Q280 PolarHBondContact O-N 3.5Å; S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 3.09Å
278	A	97.4	Very high	94	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-36.1	176.5	0	0	0	0	0	112.4	F246 I274 F275 Q280 L281 L282 W289	F246-A278 HydrophobicContact CB-CB 3.78Å; F246-A278 HydrophobicContact CD1-CB 3.45Å; F246-A278 VanDerWaalsContact CD1-CB 3.45Å; F246-A278 HydrophobicContact CD2-CB 3.96Å; F246-A278 HydrophobicContact CE1-CB 3.97Å; F246-A278 HydrophobicContact CE2-CB 4.41Å; F246-A278 HydrophobicContact CG-CB 3.45Å; F246-A278 VanDerWaalsContact CG-CB 3.45Å; F246-A278 HydrophobicContact CZ-CB 4.42Å; I274-A278 WeakPolarHBondContact O-CB 3.38Å; I274-A278 PolarHBondContact O-N 3.08Å; F275-A278 PolarHBondContact O-N 3.22Å; A278-Q280 VanDerWaalsContact C-N 3.28Å; A278-Q280 PolarHBondContact O-N 2.87Å; A278-L281 PolarHBondContact O-N 3.24Å; A278-L282 HydrophobicContact CB-CD1 4.4Å; A278-L282 VanDerWaalsContact O-CB 3.24Å; A278-L282 WeakPolarHBondContact O-CB 3.39Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.44Å; A278-W289 HydrophobicContact CB-CH2 4.34Å
279	Q	97.4	Very high	94.7	Very high	87 Å²	87	69.7 Å²	69.7	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-58.7	-42.4	176.2	-167.5	178.8	13.5	0	0	111.6	F275 S277 Q283 I286 W289	F275-Q279 WeakPolarHBondContact O-CB 3.09Å; F275-Q279 PolarHBondContact O-N 3.49Å; S277-Q279 VanDerWaalsContact C-N 3.33Å; S277-Q279 PolarHBondContact O-N 3.28Å; Q279-Q283 WeakPolarHBondContact O-CA 3.26Å; Q279-Q283 WeakPolarHBondContact O-CB 3.11Å; Q279-Q283 PolarHBondContact O-N 3.25Å; Q279-Q283 VanDerWaalsContact O-N 3.11Å; Q279-I286 HydrophobicContact CG-CD1 4.09Å; Q279-W289 HydrophobicContact CB-CD2 4.46Å; Q279-W289 HydrophobicContact CB-CH2 4.13Å; Q279-W289 HydrophobicContact CB-CZ2 3.62Å; Q279-W289 HydrophobicContact CG-CD2 4.08Å; Q279-W289 HydrophobicContact CG-CG 4.36Å; Q279-W289 HydrophobicContact CG-CZ2 4.14Å
280	Q	97.1	Very high	95.6	Very high	155 Å²	155	63.4 Å²	63.4	72%	0.724	34%	0.336	S	S	*	.	H	α-helix	trans	-68.8	-49.2	177	-66.6	178.2	-17	0	0	111.3	S276 S277 A278 L282 Q283	S276-Q280 PolarHBondContact O-N 3.22Å; S277-Q280 PolarHBondContact O-N 3.5Å; A278-Q280 VanDerWaalsContact C-N 3.28Å; A278-Q280 PolarHBondContact O-N 2.87Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.36Å; Q280-Q283 PolarHBondContact O-N 3.03Å
281	L	97.4	Very high	96.2	Very high	96 Å²	96	64.4 Å²	64.4	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-32.6	-177.1	-68.6	171.9	0	0	0	113	I250 K253 S277 A278	I250-L281 HydrophobicContact CD1-CD1 3.72Å; I250-L281 HydrophobicContact CG1-CD1 4.25Å; K253-L281 WeakPolarHBondContact CE-O 3.4Å; K253-L281 PolarHBondContact NZ-O 2.89Å; S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 3.09Å; A278-L281 PolarHBondContact O-N 3.24Å
282	L	97.8	Very high	96.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	10.7	-175.7	-57.8	175	0	0	0	113.1	F246 L249 I250 K253 F259 L261 A278 Q280 S284 N285 I286	F246-L282 HydrophobicContact CD1-CD1 4.1Å; L249-L282 HydrophobicContact CB-CD1 3.82Å; L249-L282 HydrophobicContact CB-CD2 4.41Å; L249-L282 HydrophobicContact CD1-CD1 4.08Å; I250-L282 HydrophobicContact CG1-CD2 4.32Å; I250-L282 HydrophobicContact CG1-CG 4.48Å; K253-L282 HydrophobicContact CB-CD2 4.34Å; K253-L282 HydrophobicContact CD-CD2 3.82Å; F259-L282 HydrophobicContact CZ-CD2 4.12Å; L261-L282 HydrophobicContact CD2-CB 4.37Å; L261-L282 HydrophobicContact CD2-CD1 3.87Å; A278-L282 HydrophobicContact CB-CD1 4.4Å; A278-L282 VanDerWaalsContact O-CB 3.24Å; A278-L282 WeakPolarHBondContact O-CB 3.39Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.44Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.36Å; L282-S284 VanDerWaalsContact C-N 3.27Å; L282-S284 PolarHBondContact O-N 3.37Å; L282-S284 VanDerWaalsContact O-N 3.09Å; L282-N285 WeakPolarHBondContact O-CA 3.24Å; L282-N285 WeakPolarHBondContact O-CB 3.47Å; L282-N285 PolarHBondContact O-N 3.34Å; L282-I286 HydrophobicContact CB-CD1 4.39Å; L282-I286 HydrophobicContact CB-CG1 4.48Å; L282-I286 WeakPolarHBondContact O-CG1 2.98Å; L282-I286 PolarHBondContact O-N 3.15Å
283	Q	97.3	Very high	96.5	Very high	151 Å²	151	67.9 Å²	67.9	71%	0.706	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-48.5	-44.6	-173.1	-171.1	-178.4	14	0	0	113.8	Q279 Q280 N285 I286	Q279-Q283 WeakPolarHBondContact O-CA 3.26Å; Q279-Q283 WeakPolarHBondContact O-CB 3.11Å; Q279-Q283 PolarHBondContact O-N 3.25Å; Q279-Q283 VanDerWaalsContact O-N 3.11Å; Q280-Q283 PolarHBondContact O-N 3.03Å; Q283-N285 PolarHBondContact O-N 3.27Å; Q283-I286 PolarHBondContact O-N 2.89Å
284	S	96.9	Very high	96.5	Very high	97 Å²	97	61.7 Å²	61.7	68%	0.678	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66.5	-15.4	-180	60.9	0	0	0	0	114.6	K253 L282	K253-S284 PolarHBondContact NZ-OG 3.44Å; L282-S284 VanDerWaalsContact C-N 3.27Å; L282-S284 PolarHBondContact O-N 3.37Å; L282-S284 VanDerWaalsContact O-N 3.09Å
285	N	98.1	Very high	96.3	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.064	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-102	-15.4	-177.6	-58.4	92.6	0	0	0	112	K253 F259 Q260 L261 L282 Q283	K253-N285 PolarHBondContact NZ-OD1 2.99Å; F259-N285 HydrophobicContact CD2-CB 4.24Å; F259-N285 HydrophobicContact CE2-CB 3.92Å; F259-N285 HydrophobicContact CZ-CB 4.4Å; F259-N285 WeakPolarHBondContact O-CB 3.42Å; F259-N285 PolarHBondContact O-ND2 3.38Å; Q260-N285 CarbonylContact C-O 3.54Å; Q260-N285 WeakPolarHBondContact CA-O 3.43Å; L261-N285 PolarHBondContact N-O 2.64Å; L282-N285 WeakPolarHBondContact O-CA 3.24Å; L282-N285 WeakPolarHBondContact O-CB 3.47Å; L282-N285 PolarHBondContact O-N 3.34Å; Q283-N285 PolarHBondContact O-N 3.27Å
286	I	98.4	Very high	96.1	Very high	40 Å²	40	70.8 Å²	70.8	21%	0.205	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.1	-171.3	-69.7	166.2	0	0	0	110.9	L261 Q279 L282 Q283 W289	L261-I286 HydrophobicContact CD2-CG1 4.07Å; Q279-I286 HydrophobicContact CG-CD1 4.09Å; L282-I286 HydrophobicContact CB-CD1 4.39Å; L282-I286 HydrophobicContact CB-CG1 4.48Å; L282-I286 WeakPolarHBondContact O-CG1 2.98Å; L282-I286 PolarHBondContact O-N 3.15Å; Q283-I286 PolarHBondContact O-N 2.89Å; I286-W289 HydrophobicContact CD1-CD2 4.17Å; I286-W289 HydrophobicContact CD1-CE3 3.51Å; I286-W289 HydrophobicContact CD1-CZ3 3.7Å; I286-W289 HydrophobicContact CG1-CE3 3.95Å; I286-W289 HydrophobicContact CG1-CZ3 4.23Å; I286-W289 HydrophobicContact CG2-CB 3.93Å; I286-W289 HydrophobicContact CG2-CE3 4.22Å
287	L	98.1	Very high	96.2	Very high	85 Å²	85	71.6 Å²	71.6	45%	0.445	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-42.4	167.2	-62.9	-177.2	0	0	0	111.9	Q260 L261	Q260-L287 HydrophobicContact CB-CD1 3.74Å; Q260-L287 HydrophobicContact CB-CG 4Å; Q260-L287 HydrophobicContact CG-CD1 4.16Å; Q260-L287 HydrophobicContact CG-CD2 4.42Å; Q260-L287 HydrophobicContact CG-CG 4.31Å; L261-L287 PolarHBondContact O-N 3.22Å
288	N	98.4	Very high	96.2	Very high	45 Å²	45	71.1 Å²	71.1	24%	0.241	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.4	-177.4	-58.9	-81.9	0	0	0	109.9	L261 S262 V263 L264	L261-N288 PolarHBondContact O-N 3.24Å; S262-N288 WeakPolarHBondContact CA-O 3.26Å; S262-N288 PolarHBondContact OG-ND2 2.93Å; V263-N288 PolarHBondContact N-O 3.12Å; L264-N288 HydrophobicContact CD2-CB 3.69Å
289	W	97.7	Very high	96.2	Very high	56 Å²	56	71.4 Å²	71.4	21%	0.212	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	102.8	-175.9	-166.3	-98.3	0	0	0	111.3	W236 F246 L261 V263 F275 A278 Q279 I286	W236-W289 AromaticContact CH2-CD1 3.53Å; W236-W289 HydrophobicContact CH2-CD2 4.31Å; W236-W289 AromaticContact CH2-CE2 3.63Å; W236-W289 HydrophobicContact CH2-CG 4.22Å; W236-W289 HydrophobicContact CH2-CZ2 4.17Å; W236-W289 AromaticContact CH2-NE1 3.16Å; W236-W289 HydrophobicContact CZ2-CD2 4.34Å; W236-W289 AromaticContact CZ2-CE2 3.99Å; W236-W289 HydrophobicContact CZ2-CG 4.35Å; W236-W289 HydrophobicContact CZ2-CZ2 4.47Å; W236-W289 AromaticContact CZ2-NE1 3.9Å; W236-W289 AromaticContact CZ3-NE1 3.98Å; F246-W289 AromaticContact CE1-CH2 3.57Å; F246-W289 HydrophobicContact CE1-CH2 3.57Å; F246-W289 AromaticContact CE1-CZ3 3.82Å; F246-W289 HydrophobicContact CE1-CZ3 3.82Å; F246-W289 HydrophobicContact CE2-CH2 4.48Å; F246-W289 AromaticContact CZ-CH2 3.52Å; F246-W289 HydrophobicContact CZ-CH2 3.52Å; F246-W289 HydrophobicContact CZ-CZ2 4.37Å; F246-W289 HydrophobicContact CZ-CZ3 4.08Å; L261-W289 HydrophobicContact CD2-CZ3 4.3Å; V263-W289 HydrophobicContact CB-CD2 4.38Å; V263-W289 HydrophobicContact CB-CE3 3.7Å; V263-W289 HydrophobicContact CB-CZ3 3.83Å; V263-W289 HydrophobicContact CG1-CE3 4.46Å; V263-W289 HydrophobicContact CG1-CZ3 4.37Å; V263-W289 HydrophobicContact CG2-CE3 3.69Å; V263-W289 HydrophobicContact CG2-CH2 4.2Å; V263-W289 HydrophobicContact CG2-CZ3 3.38Å; V263-W289 CarbonylContact O-C 3.49Å; V263-W289 WeakPolarHBondContact O-CA 3.48Å; F275-W289 HydrophobicContact CB-CZ2 4.17Å; F275-W289 HydrophobicContact CD1-CH2 4.33Å; F275-W289 AromaticContact CD1-CZ2 3.99Å; F275-W289 HydrophobicContact CD1-CZ2 3.99Å; F275-W289 WeakPolarHBondContact O-CZ2 3.28Å; A278-W289 HydrophobicContact CB-CH2 4.34Å; Q279-W289 HydrophobicContact CB-CD2 4.46Å; Q279-W289 HydrophobicContact CB-CH2 4.13Å; Q279-W289 HydrophobicContact CB-CZ2 3.62Å; Q279-W289 HydrophobicContact CG-CD2 4.08Å; Q279-W289 HydrophobicContact CG-CG 4.36Å; Q279-W289 HydrophobicContact CG-CZ2 4.14Å; I286-W289 HydrophobicContact CD1-CD2 4.17Å; I286-W289 HydrophobicContact CD1-CE3 3.51Å; I286-W289 HydrophobicContact CD1-CZ3 3.7Å; I286-W289 HydrophobicContact CG1-CE3 3.95Å; I286-W289 HydrophobicContact CG1-CZ3 4.23Å; I286-W289 HydrophobicContact CG2-CB 3.93Å; I286-W289 HydrophobicContact CG2-CE3 4.22Å
290	G	95.8	Very high	96.1	Very high	7 Å²	7	73 Å²	73	7%	0.072	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.2	-157	174.1	0	0	0	0	0	114.2	W236 V263 L264 G265	W236-G290 VanDerWaalsContact CZ2-CA 3.49Å; V263-G290 PolarHBondContact O-N 3.12Å; L264-G290 WeakPolarHBondContact CA-O 3.1Å; G265-G290 PolarHBondContact N-O 3.41Å; G265-G290 CarbonylContact O-C 3.33Å
291	F	94.8	Very high	96.2	Very high	132 Å²	132	66.1 Å²	66.1	58%	0.579	34%	0.339	S	S	*	.			trans	-72.1	137.3	-176.7	-179.3	-101.3	0	0	0	111.5	G265 E266	G265-F291 WeakPolarHBondContact O-CA 3.43Å; G265-F291 PolarHBondContact O-N 3.21Å; G265-F291 VanDerWaalsContact O-N 3.13Å; E266-F291 HydrophobicContact CB-CD2 3.95Å; E266-F291 HydrophobicContact CB-CE2 4.49Å; E266-F291 HydrophobicContact CG-CD2 4.34Å
292	L	95.1	Very high	96.2	Very high	32 Å²	32	61.6 Å²	61.6	17%	0.168	32%	0.316	C	S	.	.			trans	-101.6	132.8	173.6	-66.3	174.3	0	0	0	110.1	L264 S294 Q297 V301	L264-L292 HydrophobicContact CD1-CD1 4.2Å; L264-L292 HydrophobicContact CD2-CD1 3.78Å; L264-L292 HydrophobicContact CD2-CG 4.21Å; L292-S294 PolarHBondContact O-N 2.63Å; L292-Q297 HydrophobicContact CB-CB 4.5Å; L292-V301 HydrophobicContact CD1-CB 4.5Å; L292-V301 HydrophobicContact CD1-CG2 3.98Å
293	P	91.1	Very high	96.2	Very high	101 Å²	101	61.6 Å²	61.6	66%	0.656	32%	0.316	S	S	*	.	S	Bend	trans	-71.5	-14.1	-170.2	28.4	-37.1	0	0	0	114.5	Q297	P293-Q297 VanDerWaalsContact CD-OE1 3.27Å
294	S	93.6	Very high	96.1	Very high	44 Å²	44	57.1 Å²	57.1	31%	0.308	30%	0.297	S	S	.	.	S	Bend	trans	-139.2	149.1	-179.7	65.9	0	0	0	0	112.1	L292 D296 Q297 Y298	L292-S294 PolarHBondContact O-N 2.63Å; S294-D296 VanDerWaalsContact C-N 3.26Å; S294-D296 PolarHBondContact O-N 2.51Å; S294-Q297 PolarHBondContact O-N 2.84Å; S294-Q297 WeakPolarHBondContact OG-CB 3.37Å; S294-Q297 VanDerWaalsContact OG-CG 3.25Å; S294-Q297 WeakPolarHBondContact OG-CG 3.48Å; S294-Q297 PolarHBondContact OG-N 2.9Å; S294-Y298 PolarHBondContact O-N 3.3Å
295	K	91.4	Very high	96.2	Very high	102 Å²	102	52.5 Å²	52.5	44%	0.443	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-37.3	176.2	-167.7	175.1	-178.9	-179.7	0	111.4	Q297 Y298 L299	K295-Q297 PolarHBondContact O-N 3.04Å; K295-Y298 WeakPolarHBondContact O-CB 3.48Å; K295-Y298 PolarHBondContact O-N 3.45Å; K295-L299 HydrophobicContact CG-CD1 4.08Å; K295-L299 HydrophobicContact CG-CG 4.36Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.4Å; K295-L299 PolarHBondContact O-N 3.34Å
296	D	93.9	Very high	96.2	Very high	118 Å²	118	52.1 Å²	52.1	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-64.9	-41.1	179.6	-61.8	-16.4	0	0	0	112.5	S294 Y298 L299 K300	S294-D296 VanDerWaalsContact C-N 3.26Å; S294-D296 PolarHBondContact O-N 2.51Å; D296-Y298 VanDerWaalsContact C-N 3.34Å; D296-L299 PolarHBondContact O-N 3.09Å; D296-K300 WeakPolarHBondContact O-CB 3.5Å; D296-K300 PolarHBondContact O-N 2.89Å
297	Q	95.8	Very high	96.2	Very high	95 Å²	95	50.2 Å²	50.2	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-41.2	174.3	-73.8	176	13.6	0	0	111.5	L292 P293 S294 K295 K300 V301	L292-Q297 HydrophobicContact CB-CB 4.5Å; P293-Q297 VanDerWaalsContact CD-OE1 3.27Å; S294-Q297 PolarHBondContact O-N 2.84Å; S294-Q297 WeakPolarHBondContact OG-CB 3.37Å; S294-Q297 VanDerWaalsContact OG-CG 3.25Å; S294-Q297 WeakPolarHBondContact OG-CG 3.48Å; S294-Q297 PolarHBondContact OG-N 2.9Å; K295-Q297 PolarHBondContact O-N 3.04Å; Q297-K300 PolarHBondContact O-N 2.77Å; Q297-V301 WeakPolarHBondContact O-CG2 3.23Å; Q297-V301 PolarHBondContact O-N 3.06Å; Q297-V301 VanDerWaalsContact O-N 3.11Å
298	Y	97	Very high	96.2	Very high	39 Å²	39	46.2 Å²	46.2	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-49.7	174.9	170.3	-103	0	0	0	111.8	P233 L264 S294 K295 D296 K300 V301 L302 E323	P233-Y298 HydrophobicContact CB-CE2 4.02Å; L264-Y298 HydrophobicContact CB-CE2 4.47Å; L264-Y298 HydrophobicContact CD1-CD2 3.74Å; L264-Y298 HydrophobicContact CD1-CE2 3.95Å; S294-Y298 PolarHBondContact O-N 3.3Å; K295-Y298 WeakPolarHBondContact O-CB 3.48Å; K295-Y298 PolarHBondContact O-N 3.45Å; D296-Y298 VanDerWaalsContact C-N 3.34Å; Y298-K300 VanDerWaalsContact C-N 3.33Å; Y298-K300 PolarHBondContact O-N 2.81Å; Y298-V301 PolarHBondContact O-N 2.88Å; Y298-L302 HydrophobicContact CD1-CD1 4.05Å; Y298-L302 HydrophobicContact CE1-CD1 3.46Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.46Å; Y298-L302 HydrophobicContact CE1-CG 4.35Å; Y298-L302 HydrophobicContact CE2-CD1 4.12Å; Y298-L302 HydrophobicContact CE2-CD2 4.41Å; Y298-L302 HydrophobicContact CE2-CG 4.33Å; Y298-L302 WeakPolarHBondContact O-CG 3.33Å; Y298-L302 PolarHBondContact O-N 3.2Å; Y298-E323 VanDerWaalsContact CE1-OE2 3.3Å; Y298-E323 WeakPolarHBondContact CE1-OE2 3.34Å; Y298-E323 PolarHBondContact OH-OE2 2.96Å
299	L	96.7	Very high	96.2	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-39.1	177.5	-68.4	167.4	0	0	0	112.4	P179 V181 L184 K295 D296 V301 L302 C303	P179-L299 HydrophobicContact CB-CD1 4.24Å; P179-L299 HydrophobicContact CG-CD1 3.43Å; P179-L299 VanDerWaalsContact CG-CD1 3.43Å; P179-L299 HydrophobicContact CG-CD2 3.92Å; P179-L299 HydrophobicContact CG-CG 4.32Å; V181-L299 HydrophobicContact CG1-CD2 4.29Å; L184-L299 HydrophobicContact CD1-CB 4.01Å; K295-L299 HydrophobicContact CG-CD1 4.08Å; K295-L299 HydrophobicContact CG-CG 4.36Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.4Å; K295-L299 PolarHBondContact O-N 3.34Å; D296-L299 PolarHBondContact O-N 3.09Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 3.19Å; L299-L302 PolarHBondContact O-N 2.7Å; L299-C303 WeakPolarHBondContact O-CB 3.33Å; L299-C303 PolarHBondContact O-N 3.39Å; L299-C303 PolarHBondContact O-SG 2.7Å
300	K	96.8	Very high	96.3	Very high	119 Å²	119	41.4 Å²	41.4	52%	0.517	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-46.6	175.4	-177.8	170.6	-177.6	168.9	0	111.4	D296 Q297 Y298 L302 C303 D304	D296-K300 WeakPolarHBondContact O-CB 3.5Å; D296-K300 PolarHBondContact O-N 2.89Å; Q297-K300 PolarHBondContact O-N 2.77Å; Y298-K300 VanDerWaalsContact C-N 3.33Å; Y298-K300 PolarHBondContact O-N 2.81Å; K300-L302 VanDerWaalsContact C-N 3.32Å; K300-L302 PolarHBondContact O-N 2.97Å; K300-C303 PolarHBondContact O-N 3.38Å; K300-D304 WeakPolarHBondContact O-CB 3.29Å; K300-D304 PolarHBondContact O-N 2.91Å
301	V	98.1	Very high	96.4	Very high	12 Å²	12	41.1 Å²	41.1	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-39.7	177.5	177.5	0	0	0	0	111.4	L264 L292 Q297 Y298 L299 D304 A305	L264-V301 HydrophobicContact CD1-CB 4.15Å; L264-V301 HydrophobicContact CD1-CG1 3.77Å; L264-V301 HydrophobicContact CD2-CG1 4.27Å; L264-V301 HydrophobicContact CG-CG1 4.46Å; L292-V301 HydrophobicContact CD1-CB 4.5Å; L292-V301 HydrophobicContact CD1-CG2 3.98Å; Q297-V301 WeakPolarHBondContact O-CG2 3.23Å; Q297-V301 PolarHBondContact O-N 3.06Å; Q297-V301 VanDerWaalsContact O-N 3.11Å; Y298-V301 PolarHBondContact O-N 2.88Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 3.19Å; V301-D304 PolarHBondContact O-N 2.93Å; V301-A305 WeakPolarHBondContact O-CB 3.41Å; V301-A305 PolarHBondContact O-N 3.3Å
302	L	97.9	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-40.2	174.7	-63.8	-175.7	0	0	0	112.4	K189 V231 P233 L264 Y298 L299 K300 D304 A305 E323 A324 C327 C329	K189-L302 PolarHBondContact NZ-O 3.37Å; V231-L302 HydrophobicContact CG1-CD2 4.11Å; V231-L302 HydrophobicContact CG2-CD2 3.97Å; P233-L302 HydrophobicContact CB-CD2 4.35Å; L264-L302 HydrophobicContact CD1-CD2 4.39Å; Y298-L302 HydrophobicContact CD1-CD1 4.05Å; Y298-L302 HydrophobicContact CE1-CD1 3.46Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.46Å; Y298-L302 HydrophobicContact CE1-CG 4.35Å; Y298-L302 HydrophobicContact CE2-CD1 4.12Å; Y298-L302 HydrophobicContact CE2-CD2 4.41Å; Y298-L302 HydrophobicContact CE2-CG 4.33Å; Y298-L302 WeakPolarHBondContact O-CG 3.33Å; Y298-L302 PolarHBondContact O-N 3.2Å; L299-L302 PolarHBondContact O-N 2.7Å; K300-L302 VanDerWaalsContact C-N 3.32Å; K300-L302 PolarHBondContact O-N 2.97Å; L302-D304 VanDerWaalsContact C-N 3.29Å; L302-D304 PolarHBondContact O-N 2.89Å; L302-A305 PolarHBondContact O-N 3.12Å; L302-E323 HydrophobicContact CD1-CB 4.17Å; L302-A324 HydrophobicContact CD1-CB 4.32Å; L302-A324 HydrophobicContact CD2-CB 3.98Å; L302-C327 HydrophobicContact CB-CB 3.69Å; L302-C329 PolarHBondContact O-SG 2.8Å
303	C	96.9	Very high	96.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-35.6	176.1	-69.4	0	0	0	0	111.8	L184 L185 P186 K189 L299 K300	L184-C303 HydrophobicContact CB-CB 4.14Å; L185-C303 HydrophobicContact CD2-CB 4.22Å; P186-C303 VanDerWaalsContact CD-O 3.25Å; P186-C303 WeakPolarHBondContact CD-O 3.33Å; K189-C303 VanDerWaalsContact CE-O 3.28Å; K189-C303 WeakPolarHBondContact CE-O 3.33Å; K189-C303 PolarHBondContact NZ-O 3.28Å; L299-C303 WeakPolarHBondContact O-CB 3.33Å; L299-C303 PolarHBondContact O-N 3.39Å; L299-C303 PolarHBondContact O-SG 2.7Å; K300-C303 PolarHBondContact O-N 3.38Å
304	D	96	Very high	96.6	Very high	58 Å²	58	35.2 Å²	35.2	31%	0.31	17%	0.171	S	C	.	.	H	α-helix	trans	-77.7	-25.7	178.2	-72.3	-23.4	0	0	0	113.7	H229 K300 V301 L302	H229-D304 PolarHBondContact ND1-O 2.88Å; K300-D304 WeakPolarHBondContact O-CB 3.29Å; K300-D304 PolarHBondContact O-N 2.91Å; V301-D304 PolarHBondContact O-N 2.93Å; L302-D304 VanDerWaalsContact C-N 3.29Å; L302-D304 PolarHBondContact O-N 2.89Å
305	A	98.1	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.			trans	-73.9	147.3	-176.5	0	0	0	0	0	113.4	K189 H229 V231 V301 L302 C329	K189-A305 WeakPolarHBondContact CE-O 3.49Å; K189-A305 PolarHBondContact NZ-O 3.5Å; H229-A305 WeakPolarHBondContact ND1-CA 3.33Å; V231-A305 HydrophobicContact CB-CB 3.83Å; V231-A305 HydrophobicContact CG1-CB 3.58Å; V301-A305 WeakPolarHBondContact O-CB 3.41Å; V301-A305 PolarHBondContact O-N 3.3Å; L302-A305 PolarHBondContact O-N 3.12Å; A305-C329 PolarHBondContact O-SG 2.81Å
306	D	98	Very high	96.9	Very high	4 Å²	4	30 Å²	30	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-90.6	-43.6	179.6	-62.6	-56	0	0	0	111.6	L228 H229 F330 A369 R370	L228-D306 HydrophobicContact CD1-CB 3.68Å; L228-D306 HydrophobicContact CG-CB 4.41Å; H229-D306 PolarHBondContact N-OD2 3.15Å; H229-D306 PolarHBondContact O-N 2.97Å; D306-F330 PolarHBondContact O-N 2.78Å; D306-A369 HydrophobicContact CB-CB 4.26Å; D306-R370 WeakPolarHBondContact OD1-CG 3.43Å; D306-R370 IonicContact OD1-CZ 3.79Å; D306-R370 IonicContact OD1-NE 3.83Å; D306-R370 PolarHBondContact OD1-NE 3.22Å; D306-R370 IonicContact OD1-NH2 3.83Å; D306-R370 IonicContact OD2-CZ 3.55Å; D306-R370 IonicContact OD2-NE 3.89Å; D306-R370 PolarHBondContact OD2-NE 3.36Å; D306-R370 IonicContact OD2-NH2 2.95Å; D306-R370 PolarHBondContact OD2-NH2 3.15Å
307	V	98.6	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.7	-171.8	176.1	0	0	0	0	109.8	L228 H229 I230 V231 V309 F330 L332 L359 L362 A369	L228-V307 HydrophobicContact CD1-CG2 3.84Å; L228-V307 HydrophobicContact CD2-CG2 4.16Å; L228-V307 HydrophobicContact CG-CG2 4.31Å; H229-V307 PolarHBondContact O-N 2.89Å; H229-V307 VanDerWaalsContact O-N 3.1Å; I230-V307 WeakPolarHBondContact CA-O 3.34Å; V231-V307 PolarHBondContact N-O 2.69Å; V307-V309 HydrophobicContact CG1-CG2 3.99Å; V307-F330 CarbonylContact C-O 3.08Å; V307-F330 VanDerWaalsContact CA-O 3.31Å; V307-F330 WeakPolarHBondContact CA-O 3.49Å; V307-F330 HydrophobicContact CG2-CB 4.13Å; V307-L332 HydrophobicContact CG1-CD1 3.79Å; V307-L332 HydrophobicContact CG1-CG 4.07Å; V307-L359 HydrophobicContact CG1-CD2 4.2Å; V307-L362 HydrophobicContact CG1-CD1 4.45Å; V307-L362 HydrophobicContact CG2-CD1 3.83Å; V307-A369 HydrophobicContact CG2-CB 3.77Å
308	V	98.8	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.5	170.1	62.7	0	0	0	0	109.7	V231 P233 M321 A324 V325 C329 F330 P331 L332	V231-V308 HydrophobicContact CG1-CB 3.87Å; V231-V308 HydrophobicContact CG1-CG2 4.03Å; V231-V308 WeakPolarHBondContact O-CA 3.47Å; P233-V308 HydrophobicContact CG-CG2 3.76Å; V308-M321 HydrophobicContact CB-CE 4.24Å; V308-M321 HydrophobicContact CG1-CE 3.77Å; V308-M321 HydrophobicContact CG2-CE 3.7Å; V308-M321 HydrophobicContact CG2-SD 3.51Å; V308-M321 VanDerWaalsContact CG2-SD 3.51Å; V308-A324 HydrophobicContact CB-CB 3.63Å; V308-A324 HydrophobicContact CG1-CB 3.75Å; V308-A324 HydrophobicContact CG2-CB 3.5Å; V308-V325 HydrophobicContact CG1-CG2 4.34Å; V308-C329 HydrophobicContact CB-CB 3.92Å; V308-C329 HydrophobicContact CG1-CB 3.75Å; V308-F330 PolarHBondContact N-O 2.88Å; V308-P331 HydrophobicContact CG1-CB 4.06Å; V308-L332 PolarHBondContact O-N 3.43Å
309	V	98.9	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.1	-179	-175.5	0	0	0	0	110.2	I230 V231 W232 H234 F245 V307 T311 L332 L355 L359	I230-V309 HydrophobicContact CG2-CG2 3.78Å; V231-V309 PolarHBondContact O-N 3.06Å; W232-V309 VanDerWaalsContact CD1-O 3.26Å; H234-V309 PolarHBondContact NE2-O 2.87Å; F245-V309 HydrophobicContact CD2-CB 4.21Å; F245-V309 HydrophobicContact CD2-CG1 3.91Å; F245-V309 HydrophobicContact CE2-CB 3.87Å; F245-V309 HydrophobicContact CE2-CG1 4.07Å; F245-V309 HydrophobicContact CE2-CG2 4.22Å; V307-V309 HydrophobicContact CG1-CG2 3.99Å; V309-T311 HydrophobicContact CG1-CG2 4.16Å; V309-L332 WeakPolarHBondContact CA-O 3.28Å; V309-L332 HydrophobicContact CG2-CB 4.34Å; V309-L332 HydrophobicContact CG2-CD1 4.39Å; V309-L355 HydrophobicContact CG1-CD1 4.08Å; V309-L359 HydrophobicContact CG2-CD1 4.47Å; V309-L359 HydrophobicContact CG2-CD2 4.14Å
310	S	98.7	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.			trans	-108.7	137.5	160	-178	0	0	0	0	109.9	A312 L332 P334 Y339 Y349	S310-A312 PolarHBondContact OG-N 3.31Å; S310-L332 PolarHBondContact N-O 3.07Å; S310-P334 WeakPolarHBondContact O-CD 3.39Å; S310-Y339 WeakPolarHBondContact CB-OH 3.28Å; S310-Y339 VanDerWaalsContact OG-CZ 3.25Å; S310-Y339 PolarHBondContact OG-OH 3.16Å; S310-Y349 WeakPolarHBondContact O-CE1 3.44Å; S310-Y349 PolarHBondContact O-OH 3.12Å
311	T	98.4	Very high	96.9	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.079	C	C	.	.			trans	-116	7.9	172.1	45.7	0	0	0	0	112.9	W232 K240 N241 L244 F245 V309 K313 Y349 L355	W232-T311 PolarHBondContact NE1-OG1 3.12Å; W232-T311 VanDerWaalsContact NE1-OG1 3.11Å; K240-T311 CarbonylContact O-C 3.5Å; K240-T311 PolarHBondContact O-OG1 2.96Å; N241-T311 WeakPolarHBondContact CB-O 3.4Å; N241-T311 PolarHBondContact ND2-O 3.44Å; N241-T311 PolarHBondContact O-OG1 2.64Å; L244-T311 HydrophobicContact CB-CG2 4.34Å; L244-T311 HydrophobicContact CD2-CG2 4.09Å; L244-T311 HydrophobicContact CG-CG2 4Å; F245-T311 HydrophobicContact CB-CG2 3.75Å; F245-T311 HydrophobicContact CD2-CG2 4.31Å; V309-T311 HydrophobicContact CG1-CG2 4.16Å; T311-K313 PolarHBondContact O-N 3.45Å; T311-Y349 WeakPolarHBondContact CA-OH 3.24Å; T311-L355 HydrophobicContact CG2-CD2 3.89Å
312	A	96.9	Very high	96.9	Very high	7 Å²	7	14.5 Å²	14.5	6%	0.058	8%	0.076	C	C	.	.			trans	-55.5	135.3	-164.3	0	0	0	0	0	113.1	K240 S310 H314 E315 L337 Y339	K240-A312 HydrophobicContact CD-CB 4.07Å; S310-A312 PolarHBondContact OG-N 3.31Å; A312-H314 VanDerWaalsContact C-N 3.32Å; A312-E315 HydrophobicContact CB-CB 4.39Å; A312-L337 HydrophobicContact CB-CD1 4.34Å; A312-L337 WeakPolarHBondContact O-CD1 3.28Å; A312-Y339 HydrophobicContact CB-CE2 4.37Å
313	K	94.6	Very high	96.9	Very high	125 Å²	125	16.1 Å²	16.1	54%	0.543	8%	0.083	S	C	.	.	S	Bend	trans	-82.9	-15.9	164.4	-76	164.1	171.4	161	0	111.3	D239 N241 T311	D239-K313 WeakPolarHBondContact O-CA 3.42Å; D239-K313 PolarHBondContact O-N 3.23Å; N241-K313 HydrophobicContact CB-CD 3.89Å; N241-K313 HydrophobicContact CB-CG 3.89Å; N241-K313 WeakPolarHBondContact OD1-CE 3.49Å; N241-K313 PolarHBondContact OD1-NZ 3.36Å; T311-K313 PolarHBondContact O-N 3.45Å
314	H	93.4	Very high	96.9	Very high	9 Å²	9	16.1 Å²	16.1	4%	0.042	8%	0.083	C	C	.	.			trans	-147.1	129.4	177.7	-165.8	65.7	0	0	0	112.8	A104 Y105 P106 D239 K240 A312 F316	A104-H314 PolarHBondContact O-CE1 2.92Å; Y105-H314 AromaticContact CD2-CD2 3.63Å; Y105-H314 AromaticContact CD2-CE1 3.99Å; Y105-H314 AromaticContact CD2-NE2 3.1Å; Y105-H314 WeakPolarHBondContact CD2-NE2 3.44Å; Y105-H314 AromaticContact CE2-CD2 3.48Å; Y105-H314 VanDerWaalsContact CE2-CD2 3.48Å; Y105-H314 WeakPolarHBondContact CE2-CD2 3.27Å; Y105-H314 AromaticContact CE2-NE2 3.43Å; Y105-H314 WeakPolarHBondContact CE2-NE2 3.13Å; Y105-H314 AromaticContact CG-NE2 3.79Å; Y105-H314 AromaticContact CZ-CD2 3.99Å; P106-H314 VanDerWaalsContact CD-CG 3.45Å; P106-H314 WeakPolarHBondContact CD-ND1 3.33Å; P106-H314 HydrophobicContact CG-CB 3.92Å; D239-H314 HydrophobicContact CB-CB 4.05Å; D239-H314 PolarHBondContact O-N 3.23Å; K240-H314 PolarHBondContact NZ-O 2.82Å; A312-H314 VanDerWaalsContact C-N 3.32Å; H314-F316 AromaticContact CE1-CE1 3.94Å; H314-F316 AromaticContact CE1-CE2 3.28Å; H314-F316 WeakPolarHBondContact CE1-CE2 3.39Å; H314-F316 AromaticContact CE1-CZ 3.24Å; H314-F316 WeakPolarHBondContact CE1-CZ 3.09Å; H314-F316 AromaticContact NE2-CD2 3.54Å; H314-F316 AromaticContact NE2-CE2 2.98Å; H314-F316 WeakPolarHBondContact NE2-CE2 3.1Å; H314-F316 AromaticContact NE2-CZ 3.51Å
315	E	95.7	Very high	97	Very high	30 Å²	30	13.7 Å²	13.7	14%	0.14	7%	0.07	C	C	.	.			trans	-165.3	128.7	178.7	-174.1	54.8	-109.7	0	0	110.3	K240 A312 F317 G318 L337 V338 Y339	K240-E315 IonicContact NZ-OE2 2.91Å; K240-E315 PolarHBondContact NZ-OE2 3.25Å; A312-E315 HydrophobicContact CB-CB 4.39Å; E315-F317 PolarHBondContact OE1-N 3.11Å; E315-G318 PolarHBondContact OE1-N 3.45Å; E315-L337 HydrophobicContact CB-CB 4.44Å; E315-L337 HydrophobicContact CB-CD1 3.95Å; E315-V338 HydrophobicContact CB-CG1 4.38Å; E315-V338 HydrophobicContact CG-CG1 3.81Å; E315-Y339 HydrophobicContact CB-CE2 3.93Å; E315-Y339 HydrophobicContact CG-CE1 4.35Å; E315-Y339 HydrophobicContact CG-CE2 4.18Å
316	F	95.6	Very high	96.9	Very high	7 Å²	7	16 Å²	16	3%	0.031	8%	0.081	C	C	.	.	S	Bend	trans	-102.6	-18.2	176.8	-72	-59.4	0	0	0	113.4	E100 N101 A104 Y105 N134 S135 F137 N138 H314 V338	E100-F316 VanDerWaalsContact CA-CD2 3.46Å; E100-F316 HydrophobicContact CB-CD2 3.5Å; E100-F316 VanDerWaalsContact CB-CD2 3.5Å; E100-F316 HydrophobicContact CB-CE2 3.56Å; N101-F316 HydrophobicContact CB-CZ 4.41Å; N101-F316 VanDerWaalsContact N-CE2 3.35Å; N101-F316 WeakPolarHBondContact ND2-CE1 3.33Å; N101-F316 VanDerWaalsContact ND2-CZ 3.26Å; N101-F316 WeakPolarHBondContact ND2-CZ 3.48Å; N101-F316 WeakPolarHBondContact O-CZ 3.44Å; A104-F316 HydrophobicContact CB-CE1 4.33Å; A104-F316 HydrophobicContact CB-CZ 4.2Å; Y105-F316 HydrophobicContact CD2-CE2 4.31Å; N134-F316 PolarHBondContact OD1-O 3.12Å; S135-F316 WeakPolarHBondContact CB-O 3.38Å; S135-F316 PolarHBondContact OG-O 3.07Å; F137-F316 AromaticContact CD1-CD1 3.99Å; F137-F316 HydrophobicContact CD1-CD1 3.99Å; F137-F316 HydrophobicContact CD1-CE1 4.46Å; F137-F316 AromaticContact CE1-CD1 3.87Å; F137-F316 HydrophobicContact CE1-CD1 3.87Å; F137-F316 AromaticContact CE1-CE1 3.99Å; F137-F316 HydrophobicContact CE1-CE1 3.99Å; N138-F316 HydrophobicContact CB-CB 4.26Å; N138-F316 HydrophobicContact CB-CD1 3.66Å; N138-F316 HydrophobicContact CB-CE1 4.34Å; N138-F316 HydrophobicContact CB-CG 4.23Å; H314-F316 AromaticContact CE1-CE1 3.94Å; H314-F316 AromaticContact CE1-CE2 3.28Å; H314-F316 WeakPolarHBondContact CE1-CE2 3.39Å; H314-F316 AromaticContact CE1-CZ 3.24Å; H314-F316 WeakPolarHBondContact CE1-CZ 3.09Å; H314-F316 AromaticContact NE2-CD2 3.54Å; H314-F316 AromaticContact NE2-CE2 2.98Å; H314-F316 WeakPolarHBondContact NE2-CE2 3.1Å; H314-F316 AromaticContact NE2-CZ 3.51Å; F316-V338 WeakPolarHBondContact O-CG2 3.45Å
317	F	95.8	Very high	96.8	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	8%	0.08	C	C	.	.	S	Bend	trans	-144.6	-47	178.4	-167.8	-109.2	0	0	0	115	N134 N173 Y174 V176 E315 V319 L322 I342 Y381	N134-F317 HydrophobicContact CB-CD2 4.3Å; N134-F317 WeakPolarHBondContact O-CD2 3.32Å; N134-F317 WeakPolarHBondContact O-CE2 3.31Å; N173-F317 HydrophobicContact CB-CE2 3.68Å; N173-F317 HydrophobicContact CB-CZ 4.04Å; Y174-F317 HydrophobicContact CD1-CD1 4.39Å; Y174-F317 HydrophobicContact CD1-CE1 4.19Å; Y174-F317 HydrophobicContact CG-CD1 4.41Å; Y174-F317 HydrophobicContact CG-CE1 4.39Å; Y174-F317 WeakPolarHBondContact O-CZ 3.28Å; V176-F317 HydrophobicContact CG2-CE1 3.92Å; E315-F317 PolarHBondContact OE1-N 3.11Å; F317-V319 HydrophobicContact CD1-CG2 3.65Å; F317-V319 HydrophobicContact CE1-CG2 4.16Å; F317-L322 HydrophobicContact CD1-CD1 4.36Å; F317-L322 HydrophobicContact CE1-CD1 3.63Å; F317-L322 HydrophobicContact CZ-CD1 3.87Å; F317-I342 WeakPolarHBondContact O-CD1 3.49Å; F317-Y381 AromaticContact CE2-CD1 3.95Å; F317-Y381 HydrophobicContact CE2-CD1 3.95Å; F317-Y381 HydrophobicContact CE2-CE1 4.31Å; F317-Y381 AromaticContact CZ-CD1 3.67Å; F317-Y381 HydrophobicContact CZ-CD1 3.67Å; F317-Y381 HydrophobicContact CZ-CE1 4.42Å; F317-Y381 HydrophobicContact CZ-CG 4.28Å
318	G	95.3	Very high	96.6	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.088	C	C	.	.			trans	84	43.1	176.1	0	0	0	0	0	115.3	E315 A320 M321 L322	E315-G318 PolarHBondContact OE1-N 3.45Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 3.21Å; G318-M321 WeakPolarHBondContact O-CB 3.29Å; G318-M321 PolarHBondContact O-N 3.04Å; G318-L322 PolarHBondContact O-N 3.39Å; G318-L322 VanDerWaalsContact O-N 3.14Å
319	V	95.9	Very high	96.5	Very high	36 Å²	36	16.5 Å²	16.5	22%	0.218	9%	0.088	C	C	.	.	H	α-helix	trans	-47.9	-49	177.6	179.5	0	0	0	0	112.3	Y174 V176 F317 M321 L322 E323	Y174-V319 HydrophobicContact CD1-CG2 3.83Å; Y174-V319 HydrophobicContact CE1-CG2 4.02Å; V176-V319 HydrophobicContact CG1-CG1 4.48Å; V176-V319 HydrophobicContact CG2-CG1 4.4Å; F317-V319 HydrophobicContact CD1-CG2 3.65Å; F317-V319 HydrophobicContact CE1-CG2 4.16Å; V319-M321 VanDerWaalsContact C-N 3.26Å; V319-M321 PolarHBondContact O-N 2.92Å; V319-L322 WeakPolarHBondContact O-CB 3.43Å; V319-L322 PolarHBondContact O-N 2.71Å; V319-L322 VanDerWaalsContact O-N 3.11Å; V319-E323 HydrophobicContact CG1-CG 4.21Å; V319-E323 WeakPolarHBondContact O-CG 3.48Å; V319-E323 PolarHBondContact O-N 3.34Å
320	A	96.1	Very high	96.5	Very high	21 Å²	21	17.3 Å²	17.3	17%	0.174	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-32.2	-177.5	0	0	0	0	0	113.3	P233 G318 A324	P233-A320 HydrophobicContact CB-CB 4.34Å; P233-A320 HydrophobicContact CG-CB 4.13Å; P233-A320 WeakPolarHBondContact O-CB 3.41Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 3.21Å; A320-A324 WeakPolarHBondContact O-CB 3.48Å; A320-A324 PolarHBondContact O-N 3.24Å; A320-A324 VanDerWaalsContact O-N 3.09Å
321	M	98.2	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-72.4	-40.5	175.7	-62.4	-57.1	-70.5	0	0	111.1	V308 G318 V319 A324 V325 C333 Y339 F343	V308-M321 HydrophobicContact CB-CE 4.24Å; V308-M321 HydrophobicContact CG1-CE 3.77Å; V308-M321 HydrophobicContact CG2-CE 3.7Å; V308-M321 HydrophobicContact CG2-SD 3.51Å; V308-M321 VanDerWaalsContact CG2-SD 3.51Å; G318-M321 WeakPolarHBondContact O-CB 3.29Å; G318-M321 PolarHBondContact O-N 3.04Å; V319-M321 VanDerWaalsContact C-N 3.26Å; V319-M321 PolarHBondContact O-N 2.92Å; M321-A324 PolarHBondContact O-N 3.04Å; M321-V325 WeakPolarHBondContact O-CB 3.34Å; M321-V325 VanDerWaalsContact O-CG2 3.23Å; M321-V325 WeakPolarHBondContact O-CG2 3.14Å; M321-V325 PolarHBondContact O-N 3.16Å; M321-C333 WeakPolarHBondContact CE-SG 3.2Å; M321-Y339 HydrophobicContact CB-CE1 4.36Å; M321-Y339 HydrophobicContact CG-CE1 3.82Å; M321-F343 HydrophobicContact CB-CE2 4.21Å; M321-F343 HydrophobicContact CB-CZ 3.96Å
322	L	97.8	Very high	96.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-42.2	173.7	-74.5	171.9	0	0	0	111.9	V176 F178 F317 G318 V319 V325 H326 I342 V376 T378 Y381	V176-L322 HydrophobicContact CG2-CD1 4.48Å; F178-L322 HydrophobicContact CE1-CB 4.25Å; F178-L322 HydrophobicContact CZ-CB 4.09Å; F317-L322 HydrophobicContact CD1-CD1 4.36Å; F317-L322 HydrophobicContact CE1-CD1 3.63Å; F317-L322 HydrophobicContact CZ-CD1 3.87Å; G318-L322 PolarHBondContact O-N 3.39Å; G318-L322 VanDerWaalsContact O-N 3.14Å; V319-L322 WeakPolarHBondContact O-CB 3.43Å; V319-L322 PolarHBondContact O-N 2.71Å; V319-L322 VanDerWaalsContact O-N 3.11Å; L322-V325 PolarHBondContact O-N 3.27Å; L322-H326 WeakPolarHBondContact O-CB 3.31Å; L322-H326 PolarHBondContact O-N 3.24Å; L322-I342 HydrophobicContact CD2-CG2 3.7Å; L322-I342 HydrophobicContact CG-CG2 4.41Å; L322-V376 HydrophobicContact CD2-CG1 4.49Å; L322-T378 HydrophobicContact CD2-CG2 4.44Å; L322-Y381 HydrophobicContact CD1-CD1 4.31Å; L322-Y381 HydrophobicContact CD1-CD2 4.08Å; L322-Y381 HydrophobicContact CD1-CG 3.9Å; L322-Y381 HydrophobicContact CD2-CD2 3.7Å; L322-Y381 HydrophobicContact CD2-CE2 3.86Å; L322-Y381 HydrophobicContact CD2-CG 4.37Å
323	E	97.1	Very high	96.6	Very high	33 Å²	33	16.9 Å²	16.9	15%	0.154	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-45.6	175.4	-72	178.8	143.7	0	0	111.9	Y298 L302 V319 V325 H326 C327	Y298-E323 VanDerWaalsContact CE1-OE2 3.3Å; Y298-E323 WeakPolarHBondContact CE1-OE2 3.34Å; Y298-E323 PolarHBondContact OH-OE2 2.96Å; L302-E323 HydrophobicContact CD1-CB 4.17Å; V319-E323 HydrophobicContact CG1-CG 4.21Å; V319-E323 WeakPolarHBondContact O-CG 3.48Å; V319-E323 PolarHBondContact O-N 3.34Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.92Å; E323-H326 WeakPolarHBondContact O-CB 3.47Å; E323-H326 PolarHBondContact O-N 3.46Å; E323-C327 PolarHBondContact O-N 2.94Å; E323-C327 PolarHBondContact O-SG 2.63Å
324	A	97.9	Very high	96.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-38.5	177.9	0	0	0	0	0	112.3	L302 V308 A320 M321 C327 G328 C329	L302-A324 HydrophobicContact CD1-CB 4.32Å; L302-A324 HydrophobicContact CD2-CB 3.98Å; V308-A324 HydrophobicContact CB-CB 3.63Å; V308-A324 HydrophobicContact CG1-CB 3.75Å; V308-A324 HydrophobicContact CG2-CB 3.5Å; A320-A324 WeakPolarHBondContact O-CB 3.48Å; A320-A324 PolarHBondContact O-N 3.24Å; A320-A324 VanDerWaalsContact O-N 3.09Å; M321-A324 PolarHBondContact O-N 3.04Å; A324-C327 CarbonylContact O-C 3.56Å; A324-C327 WeakPolarHBondContact O-CA 3.28Å; A324-C327 WeakPolarHBondContact O-CB 3.4Å; A324-C327 PolarHBondContact O-N 2.99Å; A324-C327 VanDerWaalsContact O-N 3.15Å; A324-G328 PolarHBondContact O-N 3.09Å; A324-C329 HydrophobicContact CB-CB 4.25Å; A324-C329 VanDerWaalsContact O-CB 3.23Å; A324-C329 WeakPolarHBondContact O-CB 3.48Å; A324-C329 PolarHBondContact O-N 2.84Å; A324-C329 PolarHBondContact O-SG 3Å; A324-C329 VanDerWaalsContact O-SG 3.38Å
325	V	97	Very high	97	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.042	9%	0.085	C	C	.	.	H	α-helix	trans	-68.3	-38.2	176	164.4	0	0	0	0	111.6	V308 M321 L322 E323 C327 G328 P331 F343 V374 V376 T378	V308-V325 HydrophobicContact CG1-CG2 4.34Å; M321-V325 WeakPolarHBondContact O-CB 3.34Å; M321-V325 VanDerWaalsContact O-CG2 3.23Å; M321-V325 WeakPolarHBondContact O-CG2 3.14Å; M321-V325 PolarHBondContact O-N 3.16Å; L322-V325 PolarHBondContact O-N 3.27Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.92Å; V325-C327 PolarHBondContact O-N 3.3Å; V325-G328 WeakPolarHBondContact O-CA 3.37Å; V325-G328 PolarHBondContact O-N 3.39Å; V325-P331 HydrophobicContact CG2-CB 3.71Å; V325-P331 HydrophobicContact CG2-CG 3.75Å; V325-F343 HydrophobicContact CG2-CE1 3.85Å; V325-F343 HydrophobicContact CG2-CZ 4.4Å; V325-V374 HydrophobicContact CG1-CG1 3.6Å; V325-V376 HydrophobicContact CG1-CB 4Å; V325-V376 HydrophobicContact CG1-CG1 4.32Å; V325-T378 HydrophobicContact CB-CG2 4.47Å; V325-T378 HydrophobicContact CG1-CG2 3.84Å
326	H	95.5	Very high	97.1	Very high	48 Å²	48	16.8 Å²	16.8	22%	0.222	10%	0.097	C	C	.	.	H	α-helix	trans	-59.2	-34.4	170.4	-174.6	76.8	0	0	0	111.7	F178 P179 L322 E323 G328 T378	F178-H326 HydrophobicContact CD1-CB 3.6Å; F178-H326 AromaticContact CD1-CD2 3.95Å; F178-H326 AromaticContact CD1-CG 3.46Å; F178-H326 VanDerWaalsContact CD1-CG 3.46Å; F178-H326 AromaticContact CD1-ND1 3.76Å; F178-H326 HydrophobicContact CE1-CB 3.81Å; F178-H326 AromaticContact CG-CG 3.97Å; F178-H326 AromaticContact CG-ND1 3.82Å; P179-H326 PolarHBondContact O-NE2 3.39Å; P179-H326 VanDerWaalsContact O-NE2 3.12Å; L322-H326 WeakPolarHBondContact O-CB 3.31Å; L322-H326 PolarHBondContact O-N 3.24Å; E323-H326 WeakPolarHBondContact O-CB 3.47Å; E323-H326 PolarHBondContact O-N 3.46Å; H326-G328 PolarHBondContact O-N 3.41Å; H326-T378 HydrophobicContact CB-CG2 4.18Å; H326-T378 PolarHBondContact ND1-OG1 3.38Å
327	C	96.1	Very high	97.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	9.1	172.1	-58.1	0	0	0	0	114	L185 K189 L302 E323 A324 V325	L185-C327 WeakPolarHBondContact CD2-O 3.16Å; K189-C327 WeakPolarHBondContact CD-O 3.4Å; K189-C327 PolarHBondContact NZ-O 2.8Å; L302-C327 HydrophobicContact CB-CB 3.69Å; E323-C327 PolarHBondContact O-N 2.94Å; E323-C327 PolarHBondContact O-SG 2.63Å; A324-C327 CarbonylContact O-C 3.56Å; A324-C327 WeakPolarHBondContact O-CA 3.28Å; A324-C327 WeakPolarHBondContact O-CB 3.4Å; A324-C327 PolarHBondContact O-N 2.99Å; A324-C327 VanDerWaalsContact O-N 3.15Å; V325-C327 PolarHBondContact O-N 3.3Å
328	G	95.1	Very high	97.2	Very high	16 Å²	16	17.7 Å²	17.7	17%	0.165	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	20.7	175	0	0	0	0	0	115.4	R192 A324 V325 H326	R192-G328 PolarHBondContact NH2-O 3.45Å; A324-G328 PolarHBondContact O-N 3.09Å; V325-G328 WeakPolarHBondContact O-CA 3.37Å; V325-G328 PolarHBondContact O-N 3.39Å; H326-G328 PolarHBondContact O-N 3.41Å
329	C	97.3	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-71.7	144	170.6	-65.9	0	0	0	0	111.4	L302 A305 V308 A324 P331 V374	L302-C329 PolarHBondContact O-SG 2.8Å; A305-C329 PolarHBondContact O-SG 2.81Å; V308-C329 HydrophobicContact CB-CB 3.92Å; V308-C329 HydrophobicContact CG1-CB 3.75Å; A324-C329 HydrophobicContact CB-CB 4.25Å; A324-C329 VanDerWaalsContact O-CB 3.23Å; A324-C329 WeakPolarHBondContact O-CB 3.48Å; A324-C329 PolarHBondContact O-N 2.84Å; A324-C329 PolarHBondContact O-SG 3Å; A324-C329 VanDerWaalsContact O-SG 3.38Å; C329-P331 WeakPolarHBondContact O-CD 3.34Å; C329-V374 WeakPolarHBondContact O-CG2 3.4Å
330	F	98	Very high	97.5	Very high	16 Å²	16	18.9 Å²	18.9	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.4	166.1	-173.9	-74.5	0	0	0	109.7	D306 V307 V308 L332 Y347 L362 A369 H372	D306-F330 PolarHBondContact O-N 2.78Å; V307-F330 CarbonylContact C-O 3.08Å; V307-F330 VanDerWaalsContact CA-O 3.31Å; V307-F330 WeakPolarHBondContact CA-O 3.49Å; V307-F330 HydrophobicContact CG2-CB 4.13Å; V308-F330 PolarHBondContact N-O 2.88Å; F330-L332 HydrophobicContact CD1-CD2 4.28Å; F330-L332 HydrophobicContact CD1-CG 4.24Å; F330-L332 HydrophobicContact CE1-CD2 3.72Å; F330-L332 HydrophobicContact CE1-CG 4.18Å; F330-Y347 HydrophobicContact CD1-CD1 4.41Å; F330-Y347 HydrophobicContact CD2-CE1 4.23Å; F330-Y347 AromaticContact CE1-CD1 3.85Å; F330-Y347 HydrophobicContact CE1-CD1 3.85Å; F330-Y347 HydrophobicContact CE1-CE1 4.22Å; F330-Y347 HydrophobicContact CE2-CD1 4.27Å; F330-Y347 AromaticContact CE2-CE1 3.84Å; F330-Y347 HydrophobicContact CE2-CE1 3.84Å; F330-Y347 AromaticContact CZ-CD1 3.77Å; F330-Y347 HydrophobicContact CZ-CD1 3.77Å; F330-Y347 AromaticContact CZ-CE1 3.82Å; F330-Y347 HydrophobicContact CZ-CE1 3.82Å; F330-L362 HydrophobicContact CD1-CD1 4.45Å; F330-A369 HydrophobicContact CB-CB 4Å; F330-A369 HydrophobicContact CG-CB 4.48Å; F330-H372 HydrophobicContact CD2-CB 3.78Å; F330-H372 AromaticContact CD2-CD2 3.76Å; F330-H372 AromaticContact CD2-CG 3.56Å; F330-H372 HydrophobicContact CE2-CB 4.22Å; F330-H372 AromaticContact CE2-CD2 3.89Å; F330-H372 AromaticContact CE2-CG 3.63Å; F330-H372 AromaticContact CE2-ND1 3.78Å
331	P	98.4	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.4	-179	29.5	-29.4	0	0	0	113.1	V308 V325 C329 F343 Y347	V308-P331 HydrophobicContact CG1-CB 4.06Å; V325-P331 HydrophobicContact CG2-CB 3.71Å; V325-P331 HydrophobicContact CG2-CG 3.75Å; C329-P331 WeakPolarHBondContact O-CD 3.34Å; P331-F343 HydrophobicContact CB-CD1 4.04Å; P331-F343 HydrophobicContact CB-CE1 3.91Å; P331-F343 HydrophobicContact CG-CD1 3.85Å; P331-F343 HydrophobicContact CG-CE1 3.96Å; P331-Y347 HydrophobicContact CG-CD1 3.57Å; P331-Y347 HydrophobicContact CG-CD2 4.01Å; P331-Y347 HydrophobicContact CG-CE1 3.92Å; P331-Y347 HydrophobicContact CG-CE2 4.31Å; P331-Y347 HydrophobicContact CG-CG 3.6Å; P331-Y347 WeakPolarHBondContact O-CB 3.31Å; P331-Y347 WeakPolarHBondContact O-CD1 3.3Å
332	L	98.7	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	110	165.5	-69.3	178.7	0	0	0	109.3	V307 V308 V309 S310 F330 Y347 L355 R358 L359 L362	V307-L332 HydrophobicContact CG1-CD1 3.79Å; V307-L332 HydrophobicContact CG1-CG 4.07Å; V308-L332 PolarHBondContact O-N 3.43Å; V309-L332 WeakPolarHBondContact CA-O 3.28Å; V309-L332 HydrophobicContact CG2-CB 4.34Å; V309-L332 HydrophobicContact CG2-CD1 4.39Å; S310-L332 PolarHBondContact N-O 3.07Å; F330-L332 HydrophobicContact CD1-CD2 4.28Å; F330-L332 HydrophobicContact CD1-CG 4.24Å; F330-L332 HydrophobicContact CE1-CD2 3.72Å; F330-L332 HydrophobicContact CE1-CG 4.18Å; L332-Y347 WeakPolarHBondContact CA-O 3.11Å; L332-L355 HydrophobicContact CB-CD1 4.36Å; L332-L355 HydrophobicContact CD1-CD1 4.21Å; L332-R358 HydrophobicContact CD2-CB 4.48Å; L332-L359 HydrophobicContact CD1-CD2 3.56Å; L332-L359 HydrophobicContact CD1-CG 3.9Å; L332-L362 HydrophobicContact CD1-CD1 4.1Å
333	C	98.5	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.4	-174.7	-58.2	0	0	0	0	111.1	M321 Y339 F343 Y347 L348 Y349	M321-C333 WeakPolarHBondContact CE-SG 3.2Å; C333-Y339 HydrophobicContact CB-CD1 3.68Å; C333-Y339 HydrophobicContact CB-CD2 4.25Å; C333-Y339 HydrophobicContact CB-CE1 4.29Å; C333-Y339 HydrophobicContact CB-CG 3.64Å; C333-F343 HydrophobicContact CB-CD2 4.39Å; C333-Y347 PolarHBondContact N-O 2.71Å; C333-L348 HydrophobicContact CB-CD2 3.93Å; C333-L348 CarbonylContact O-C 3.37Å; C333-L348 WeakPolarHBondContact O-CA 3.49Å; C333-Y349 VanDerWaalsContact C-CD1 3.46Å; C333-Y349 WeakPolarHBondContact O-CD1 3.31Å; C333-Y349 WeakPolarHBondContact O-CE1 3.44Å; C333-Y349 PolarHBondContact O-N 2.91Å
334	P	98.4	Very high	97.5	Very high	14 Å²	14	22.7 Å²	22.7	9%	0.091	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.4	172.7	26.3	-31	0	0	0	110.8	S310 A336 Y339 Y349	S310-P334 WeakPolarHBondContact O-CD 3.39Å; P334-A336 PolarHBondContact O-N 3.23Å; P334-Y339 HydrophobicContact CG-CD2 3.56Å; P334-Y339 HydrophobicContact CG-CE2 3.72Å; P334-Y339 WeakPolarHBondContact O-CB 3.3Å; P334-Y349 CarbonylContact C-O 3.59Å; P334-Y349 WeakPolarHBondContact CA-O 3.28Å; P334-Y349 HydrophobicContact CB-CE1 4.44Å; P334-Y349 HydrophobicContact CB-CE2 4.28Å
335	K	98.4	Very high	97.4	Very high	99 Å²	99	27.7 Å²	27.7	43%	0.43	16%	0.156	S	C	.	.	S	Bend	trans	-75.9	56.4	171.9	-166.4	166.1	179	152.2	0	110.5	P340 D345 L348 Y349	K335-P340 HydrophobicContact CG-CG 4.48Å; K335-D345 WeakPolarHBondContact CE-OD1 3.5Å; K335-D345 IonicContact NZ-OD1 3.28Å; K335-D345 PolarHBondContact NZ-OD1 3.43Å; K335-D345 IonicContact NZ-OD2 2.7Å; K335-D345 PolarHBondContact NZ-OD2 3.25Å; K335-L348 HydrophobicContact CB-CB 3.89Å; K335-L348 HydrophobicContact CB-CD1 4.39Å; K335-L348 HydrophobicContact CD-CB 4.48Å; K335-L348 HydrophobicContact CD-CD1 4.49Å; K335-L348 HydrophobicContact CG-CB 4.19Å; K335-L348 HydrophobicContact CG-CD1 3.96Å; K335-Y349 PolarHBondContact N-O 2.82Å
336	A	97.1	Very high	97.4	Very high	49 Å²	49	30.8 Å²	30.8	41%	0.405	17%	0.17	S	C	.	.	S	Bend	trans	-159.5	173	-176.9	0	0	0	0	0	109.6	P334 Y339 P340	P334-A336 PolarHBondContact O-N 3.23Å; A336-Y339 PolarHBondContact O-N 3.4Å; A336-P340 VanDerWaalsContact O-CD 3.24Å; A336-P340 WeakPolarHBondContact O-CD 3.24Å
337	L	96.9	Very high	97.5	Very high	31 Å²	31	28.5 Å²	28.5	16%	0.162	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-146.4	177.9	-48.2	168.3	0	0	0	110.9	F137 A312 E315 Y339 P340	F137-L337 WeakPolarHBondContact CD2-O 3.42Å; F137-L337 HydrophobicContact CE1-CB 4.18Å; F137-L337 HydrophobicContact CE1-CD2 4.21Å; F137-L337 VanDerWaalsContact CG-C 3.45Å; F137-L337 WeakPolarHBondContact CG-O 3.2Å; F137-L337 HydrophobicContact CZ-CB 4.31Å; F137-L337 HydrophobicContact CZ-CD2 3.94Å; A312-L337 HydrophobicContact CB-CD1 4.34Å; A312-L337 WeakPolarHBondContact O-CD1 3.28Å; E315-L337 HydrophobicContact CB-CB 4.44Å; E315-L337 HydrophobicContact CB-CD1 3.95Å; L337-Y339 VanDerWaalsContact C-N 3.28Å; L337-Y339 HydrophobicContact CB-CD2 4.3Å; L337-Y339 HydrophobicContact CD1-CD2 4.41Å; L337-Y339 HydrophobicContact CD1-CE2 4.15Å; L337-Y339 PolarHBondContact O-N 2.75Å; L337-P340 WeakPolarHBondContact O-CD 3.43Å
338	V	97.7	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.2	174.7	71.5	0	0	0	0	113.6	S135 F137 E315 F316 E341 I342	S135-V338 VanDerWaalsContact CB-CG2 3.47Å; F137-V338 HydrophobicContact CB-CB 4.29Å; F137-V338 HydrophobicContact CB-CG2 4.5Å; F137-V338 HydrophobicContact CD1-CB 4.3Å; E315-V338 HydrophobicContact CB-CG1 4.38Å; E315-V338 HydrophobicContact CG-CG1 3.81Å; F316-V338 WeakPolarHBondContact O-CG2 3.45Å; V338-E341 HydrophobicContact CG2-CB 4.34Å; V338-E341 WeakPolarHBondContact O-CA 3.33Å; V338-E341 WeakPolarHBondContact O-CB 2.89Å; V338-E341 PolarHBondContact O-N 2.8Å; V338-I342 HydrophobicContact CG1-CD1 4.12Å; V338-I342 HydrophobicContact CG2-CD1 3.75Å; V338-I342 HydrophobicContact CG2-CG1 4.14Å; V338-I342 PolarHBondContact O-N 2.87Å
339	Y	98.4	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-38.8	-168.4	-64.6	-65.6	0	0	0	114.7	S310 A312 E315 M321 C333 P334 A336 L337 E341 I342 F343	S310-Y339 WeakPolarHBondContact CB-OH 3.28Å; S310-Y339 VanDerWaalsContact OG-CZ 3.25Å; S310-Y339 PolarHBondContact OG-OH 3.16Å; A312-Y339 HydrophobicContact CB-CE2 4.37Å; E315-Y339 HydrophobicContact CB-CE2 3.93Å; E315-Y339 HydrophobicContact CG-CE1 4.35Å; E315-Y339 HydrophobicContact CG-CE2 4.18Å; M321-Y339 HydrophobicContact CB-CE1 4.36Å; M321-Y339 HydrophobicContact CG-CE1 3.82Å; C333-Y339 HydrophobicContact CB-CD1 3.68Å; C333-Y339 HydrophobicContact CB-CD2 4.25Å; C333-Y339 HydrophobicContact CB-CE1 4.29Å; C333-Y339 HydrophobicContact CB-CG 3.64Å; P334-Y339 HydrophobicContact CG-CD2 3.56Å; P334-Y339 HydrophobicContact CG-CE2 3.72Å; P334-Y339 WeakPolarHBondContact O-CB 3.3Å; A336-Y339 PolarHBondContact O-N 3.4Å; L337-Y339 VanDerWaalsContact C-N 3.28Å; L337-Y339 HydrophobicContact CB-CD2 4.3Å; L337-Y339 HydrophobicContact CD1-CD2 4.41Å; L337-Y339 HydrophobicContact CD1-CE2 4.15Å; L337-Y339 PolarHBondContact O-N 2.75Å; Y339-E341 PolarHBondContact O-N 3.42Å; Y339-I342 PolarHBondContact O-N 3.24Å; Y339-I342 VanDerWaalsContact O-N 3.1Å; Y339-F343 AromaticContact CD1-CD2 3.75Å; Y339-F343 HydrophobicContact CD1-CD2 3.75Å; Y339-F343 AromaticContact CD1-CE2 3.7Å; Y339-F343 HydrophobicContact CD1-CE2 3.7Å; Y339-F343 HydrophobicContact CE1-CE2 4.26Å; Y339-F343 HydrophobicContact CG-CD2 4.49Å; Y339-F343 WeakPolarHBondContact O-CB 3.3Å; Y339-F343 PolarHBondContact O-N 3.15Å
340	P	98.1	Very high	97.9	Very high	63 Å²	63	32.1 Å²	32.1	41%	0.409	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-19.6	173	-21.9	32.6	0	0	0	115.1	K335 A336 L337 L348	K335-P340 HydrophobicContact CG-CG 4.48Å; A336-P340 VanDerWaalsContact O-CD 3.24Å; A336-P340 WeakPolarHBondContact O-CD 3.24Å; L337-P340 WeakPolarHBondContact O-CD 3.43Å; P340-L348 HydrophobicContact CB-CD1 4.02Å; P340-L348 HydrophobicContact CG-CD1 4.07Å
341	E	97.2	Very high	97.9	Very high	69 Å²	69	34.1 Å²	34.1	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-77.6	-26.5	174.4	-173.7	179.5	151.3	0	0	111.8	S135 R136 F137 V338 Y339	S135-E341 WeakPolarHBondContact CA-OE1 3.28Å; R136-E341 WeakPolarHBondContact CA-OE2 3.29Å; R136-E341 WeakPolarHBondContact CB-OE2 3.43Å; R136-E341 VanDerWaalsContact N-CD 3.33Å; R136-E341 PolarHBondContact N-OE1 2.92Å; R136-E341 PolarHBondContact N-OE2 3.08Å; F137-E341 PolarHBondContact N-OE2 3.47Å; V338-E341 HydrophobicContact CG2-CB 4.34Å; V338-E341 WeakPolarHBondContact O-CA 3.33Å; V338-E341 WeakPolarHBondContact O-CB 2.89Å; V338-E341 PolarHBondContact O-N 2.8Å; Y339-E341 PolarHBondContact O-N 3.42Å
342	I	97.3	Very high	97.9	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-105.3	-38.6	-172.3	-60.7	174.7	0	0	0	111.8	F317 L322 V338 Y339 Y381	F317-I342 WeakPolarHBondContact O-CD1 3.49Å; L322-I342 HydrophobicContact CD2-CG2 3.7Å; L322-I342 HydrophobicContact CG-CG2 4.41Å; V338-I342 HydrophobicContact CG1-CD1 4.12Å; V338-I342 HydrophobicContact CG2-CD1 3.75Å; V338-I342 HydrophobicContact CG2-CG1 4.14Å; V338-I342 PolarHBondContact O-N 2.87Å; Y339-I342 PolarHBondContact O-N 3.24Å; Y339-I342 VanDerWaalsContact O-N 3.1Å; I342-Y381 HydrophobicContact CG1-CE1 4.47Å; I342-Y381 HydrophobicContact CG2-CE2 4.23Å
343	F	97.8	Very high	97.8	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	24%	0.238	C	C	.	.	S	Bend	trans	-114.5	127.1	-168.6	-65	-73.9	0	0	0	111.1	M321 V325 P331 C333 Y339 Y347 L348 V376	M321-F343 HydrophobicContact CB-CE2 4.21Å; M321-F343 HydrophobicContact CB-CZ 3.96Å; V325-F343 HydrophobicContact CG2-CE1 3.85Å; V325-F343 HydrophobicContact CG2-CZ 4.4Å; P331-F343 HydrophobicContact CB-CD1 4.04Å; P331-F343 HydrophobicContact CB-CE1 3.91Å; P331-F343 HydrophobicContact CG-CD1 3.85Å; P331-F343 HydrophobicContact CG-CE1 3.96Å; C333-F343 HydrophobicContact CB-CD2 4.39Å; Y339-F343 AromaticContact CD1-CD2 3.75Å; Y339-F343 HydrophobicContact CD1-CD2 3.75Å; Y339-F343 AromaticContact CD1-CE2 3.7Å; Y339-F343 HydrophobicContact CD1-CE2 3.7Å; Y339-F343 HydrophobicContact CE1-CE2 4.26Å; Y339-F343 HydrophobicContact CG-CD2 4.49Å; Y339-F343 WeakPolarHBondContact O-CB 3.3Å; Y339-F343 PolarHBondContact O-N 3.15Å; F343-Y347 HydrophobicContact CB-CD2 4.39Å; F343-Y347 HydrophobicContact CD1-CD2 4.44Å; F343-L348 HydrophobicContact CB-CD2 3.93Å; F343-V376 HydrophobicContact CD1-CG2 3.71Å; F343-V376 HydrophobicContact CE1-CG1 4.4Å; F343-V376 HydrophobicContact CE1-CG2 4.03Å
344	P	97.3	Very high	97.8	Very high	48 Å²	48	46 Å²	46	31%	0.312	26%	0.255	S	S	.	.			trans	-53	152.8	169.7	-29	33.4	0	0	0	113.3	Q346 Y347 M375	P344-Q346 HydrophobicContact CB-CG 4.39Å; P344-Q346 PolarHBondContact O-N 3.02Å; P344-Y347 HydrophobicContact CB-CD2 4.18Å; P344-Y347 HydrophobicContact CB-CE2 4.37Å; P344-Y347 HydrophobicContact CG-CD2 4.27Å; P344-Y347 HydrophobicContact CG-CE2 4.19Å; P344-Y347 PolarHBondContact O-N 3.44Å; P344-M375 HydrophobicContact CG-CB 4.39Å
345	D	97.1	Very high	97.9	Very high	104 Å²	104	45.3 Å²	45.3	56%	0.556	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-52.8	-32.3	-174	-103.3	-6.4	0	0	0	113.9	K335 Y347 L348	K335-D345 WeakPolarHBondContact CE-OD1 3.5Å; K335-D345 IonicContact NZ-OD1 3.28Å; K335-D345 PolarHBondContact NZ-OD1 3.43Å; K335-D345 IonicContact NZ-OD2 2.7Å; K335-D345 PolarHBondContact NZ-OD2 3.25Å; D345-Y347 PolarHBondContact O-N 3.44Å; D345-Y347 VanDerWaalsContact O-N 3.12Å; D345-L348 PolarHBondContact O-N 3.33Å
346	Q	96.2	Very high	97.9	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18.4	176.9	70.8	171	9.4	0	0	114	P344 R358 H372 M375	P344-Q346 HydrophobicContact CB-CG 4.39Å; P344-Q346 PolarHBondContact O-N 3.02Å; Q346-R358 PolarHBondContact O-NH1 3.14Å; Q346-R358 PolarHBondContact O-NH2 3.03Å; Q346-H372 PolarHBondContact NE2-NE2 2.97Å; Q346-M375 HydrophobicContact CG-CE 4.12Å
347	Y	98.3	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-97.3	-4	177.1	-58.7	-56.7	0	0	0	112.8	F330 P331 L332 C333 F343 P344 D345 H372 V374 M375 V376	F330-Y347 HydrophobicContact CD1-CD1 4.41Å; F330-Y347 HydrophobicContact CD2-CE1 4.23Å; F330-Y347 AromaticContact CE1-CD1 3.85Å; F330-Y347 HydrophobicContact CE1-CD1 3.85Å; F330-Y347 HydrophobicContact CE1-CE1 4.22Å; F330-Y347 HydrophobicContact CE2-CD1 4.27Å; F330-Y347 AromaticContact CE2-CE1 3.84Å; F330-Y347 HydrophobicContact CE2-CE1 3.84Å; F330-Y347 AromaticContact CZ-CD1 3.77Å; F330-Y347 HydrophobicContact CZ-CD1 3.77Å; F330-Y347 AromaticContact CZ-CE1 3.82Å; F330-Y347 HydrophobicContact CZ-CE1 3.82Å; P331-Y347 HydrophobicContact CG-CD1 3.57Å; P331-Y347 HydrophobicContact CG-CD2 4.01Å; P331-Y347 HydrophobicContact CG-CE1 3.92Å; P331-Y347 HydrophobicContact CG-CE2 4.31Å; P331-Y347 HydrophobicContact CG-CG 3.6Å; P331-Y347 WeakPolarHBondContact O-CB 3.31Å; P331-Y347 WeakPolarHBondContact O-CD1 3.3Å; L332-Y347 WeakPolarHBondContact CA-O 3.11Å; C333-Y347 PolarHBondContact N-O 2.71Å; F343-Y347 HydrophobicContact CB-CD2 4.39Å; F343-Y347 HydrophobicContact CD1-CD2 4.44Å; P344-Y347 HydrophobicContact CB-CD2 4.18Å; P344-Y347 HydrophobicContact CB-CE2 4.37Å; P344-Y347 HydrophobicContact CG-CD2 4.27Å; P344-Y347 HydrophobicContact CG-CE2 4.19Å; P344-Y347 PolarHBondContact O-N 3.44Å; D345-Y347 PolarHBondContact O-N 3.44Å; D345-Y347 VanDerWaalsContact O-N 3.12Å; Y347-H372 AromaticContact CE1-NE2 3.77Å; Y347-H372 AromaticContact CZ-NE2 3.65Å; Y347-H372 PolarHBondContact OH-CD2 3.38Å; Y347-H372 PolarHBondContact OH-NE2 3.41Å; Y347-V374 WeakPolarHBondContact OH-CA 3.29Å; Y347-M375 HydrophobicContact CE2-CB 4.28Å; Y347-M375 PolarHBondContact OH-N 3.44Å; Y347-V376 HydrophobicContact CD2-CG2 4.4Å; Y347-V376 HydrophobicContact CE2-CG2 4.03Å
348	L	98.6	Very high	98	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	149	-174.3	-54.1	-178.8	0	0	0	111.2	C333 K335 P340 F343 D345 R358	C333-L348 HydrophobicContact CB-CD2 3.93Å; C333-L348 CarbonylContact O-C 3.37Å; C333-L348 WeakPolarHBondContact O-CA 3.49Å; K335-L348 HydrophobicContact CB-CB 3.89Å; K335-L348 HydrophobicContact CB-CD1 4.39Å; K335-L348 HydrophobicContact CD-CB 4.48Å; K335-L348 HydrophobicContact CD-CD1 4.49Å; K335-L348 HydrophobicContact CG-CB 4.19Å; K335-L348 HydrophobicContact CG-CD1 3.96Å; P340-L348 HydrophobicContact CB-CD1 4.02Å; P340-L348 HydrophobicContact CG-CD1 4.07Å; F343-L348 HydrophobicContact CB-CD2 3.93Å; D345-L348 PolarHBondContact O-N 3.33Å; L348-R358 PolarHBondContact O-NH1 3.3Å; L348-R358 VanDerWaalsContact O-NH1 3.15Å
349	Y	98.6	Very high	98.1	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.5	169.7	71.9	-95.5	0	0	0	110.4	L244 S310 T311 C333 P334 K335 T351 Q354 L355	L244-Y349 HydrophobicContact CD2-CE2 4.49Å; S310-Y349 WeakPolarHBondContact O-CE1 3.44Å; S310-Y349 PolarHBondContact O-OH 3.12Å; T311-Y349 WeakPolarHBondContact CA-OH 3.24Å; C333-Y349 VanDerWaalsContact C-CD1 3.46Å; C333-Y349 WeakPolarHBondContact O-CD1 3.31Å; C333-Y349 WeakPolarHBondContact O-CE1 3.44Å; C333-Y349 PolarHBondContact O-N 2.91Å; P334-Y349 CarbonylContact C-O 3.59Å; P334-Y349 WeakPolarHBondContact CA-O 3.28Å; P334-Y349 HydrophobicContact CB-CE1 4.44Å; P334-Y349 HydrophobicContact CB-CE2 4.28Å; K335-Y349 PolarHBondContact N-O 2.82Å; Y349-T351 WeakPolarHBondContact CD2-O 3.36Å; Y349-Q354 VanDerWaalsContact CA-OE1 3.3Å; Y349-L355 HydrophobicContact CD1-CB 4.18Å; Y349-L355 HydrophobicContact CD1-CD1 3.89Å; Y349-L355 HydrophobicContact CD1-CG 4.49Å; Y349-L355 HydrophobicContact CD2-CB 3.74Å; Y349-L355 HydrophobicContact CE1-CB 4.35Å; Y349-L355 HydrophobicContact CE1-CD1 3.83Å; Y349-L355 HydrophobicContact CE1-CD2 4.18Å; Y349-L355 HydrophobicContact CE1-CG 4.33Å; Y349-L355 HydrophobicContact CE2-CB 3.95Å; Y349-L355 HydrophobicContact CE2-CD2 4.18Å; Y349-L355 HydrophobicContact CG-CB 3.88Å; Y349-L355 HydrophobicContact CG-CD1 4.44Å
350	S	98	Very high	98.1	Very high	80 Å²	80	48.1 Å²	48.1	56%	0.559	25%	0.253	S	S	*	.	S	Bend	trans	-103.4	-22.7	-175.8	-54.1	0	0	0	0	112.9
351	T	98.3	Very high	98.1	Very high	58 Å²	58	50 Å²	50	36%	0.356	26%	0.256	S	S	.	.	S	Bend	trans	-134.5	155.4	-177.6	73.4	0	0	0	0	112.7	Y349 E353 Q354 L355	Y349-T351 WeakPolarHBondContact CD2-O 3.36Å; T351-E353 WeakPolarHBondContact CB-OE2 3.32Å; T351-E353 PolarHBondContact O-N 3.31Å; T351-E353 PolarHBondContact OG1-OE2 2.98Å; T351-Q354 PolarHBondContact O-N 2.74Å; T351-Q354 VanDerWaalsContact O-N 3.14Å; T351-Q354 PolarHBondContact OG1-N 2.9Å; T351-Q354 VanDerWaalsContact OG1-N 3.12Å; T351-L355 PolarHBondContact O-N 3.19Å
352	P	98.3	Very high	98.1	Very high	57 Å²	57	47.1 Å²	47.1	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-51.7	-38.6	170.4	-29.6	38.3	0	0	0	113.7	L244 L355 C356	L244-P352 HydrophobicContact CD1-CB 3.54Å; L244-P352 HydrophobicContact CD1-CG 3.79Å; P352-L355 PolarHBondContact O-N 3.1Å; P352-C356 WeakPolarHBondContact O-CB 3.26Å; P352-C356 PolarHBondContact O-N 3.34Å
353	E	98.4	Very high	98.1	Very high	118 Å²	118	47.1 Å²	47.1	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-67.6	-39.2	-179.9	-64.6	64.2	-136.6	0	0	110.9	T351 C356 K357	T351-E353 WeakPolarHBondContact CB-OE2 3.32Å; T351-E353 PolarHBondContact O-N 3.31Å; T351-E353 PolarHBondContact OG1-OE2 2.98Å; E353-C356 PolarHBondContact O-N 3.1Å; E353-K357 VanDerWaalsContact O-CB 3.31Å; E353-K357 WeakPolarHBondContact O-CB 3.4Å; E353-K357 PolarHBondContact O-N 2.85Å
354	Q	98.5	Very high	98	Very high	75 Å²	75	54.1 Å²	54.1	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-46.1	175.3	-170.7	-177.9	14.3	0	0	111	Y349 T351 C356 K357 R358	Y349-Q354 VanDerWaalsContact CA-OE1 3.3Å; T351-Q354 PolarHBondContact O-N 2.74Å; T351-Q354 VanDerWaalsContact O-N 3.14Å; T351-Q354 PolarHBondContact OG1-N 2.9Å; T351-Q354 VanDerWaalsContact OG1-N 3.12Å; Q354-C356 VanDerWaalsContact C-N 3.33Å; Q354-C356 PolarHBondContact O-N 3.49Å; Q354-K357 PolarHBondContact O-N 2.97Å; Q354-R358 WeakPolarHBondContact O-CB 3.48Å; Q354-R358 VanDerWaalsContact O-CG 3.27Å; Q354-R358 WeakPolarHBondContact O-CG 3.31Å; Q354-R358 PolarHBondContact O-N 3.39Å
355	L	98.7	Very high	97.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-50	174.5	174.5	60.7	0	0	0	111	L244 T248 V309 T311 L332 Y349 T351 P352 K357 R358 L359	L244-L355 HydrophobicContact CD2-CD2 4.47Å; L244-L355 HydrophobicContact CG-CD2 4.31Å; T248-L355 HydrophobicContact CG2-CG 4.38Å; V309-L355 HydrophobicContact CG1-CD1 4.08Å; T311-L355 HydrophobicContact CG2-CD2 3.89Å; L332-L355 HydrophobicContact CB-CD1 4.36Å; L332-L355 HydrophobicContact CD1-CD1 4.21Å; Y349-L355 HydrophobicContact CD1-CB 4.18Å; Y349-L355 HydrophobicContact CD1-CD1 3.89Å; Y349-L355 HydrophobicContact CD1-CG 4.49Å; Y349-L355 HydrophobicContact CD2-CB 3.74Å; Y349-L355 HydrophobicContact CE1-CB 4.35Å; Y349-L355 HydrophobicContact CE1-CD1 3.83Å; Y349-L355 HydrophobicContact CE1-CD2 4.18Å; Y349-L355 HydrophobicContact CE1-CG 4.33Å; Y349-L355 HydrophobicContact CE2-CB 3.95Å; Y349-L355 HydrophobicContact CE2-CD2 4.18Å; Y349-L355 HydrophobicContact CG-CB 3.88Å; Y349-L355 HydrophobicContact CG-CD1 4.44Å; T351-L355 PolarHBondContact O-N 3.19Å; P352-L355 PolarHBondContact O-N 3.1Å; L355-K357 PolarHBondContact O-N 3.37Å; L355-R358 PolarHBondContact O-N 3.47Å; L355-L359 HydrophobicContact CD1-CD1 3.93Å; L355-L359 HydrophobicContact CD1-CG 4.22Å; L355-L359 HydrophobicContact CG-CD1 4.2Å; L355-L359 PolarHBondContact O-N 3.18Å
356	C	98.6	Very high	97.8	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-46.4	179.3	-173.5	0	0	0	0	111.7	T248 P352 E353 Q354 R358 L359 Q360	T248-C356 HydrophobicContact CG2-CB 3.85Å; P352-C356 WeakPolarHBondContact O-CB 3.26Å; P352-C356 PolarHBondContact O-N 3.34Å; E353-C356 PolarHBondContact O-N 3.1Å; Q354-C356 VanDerWaalsContact C-N 3.33Å; Q354-C356 PolarHBondContact O-N 3.49Å; C356-R358 VanDerWaalsContact C-N 3.35Å; C356-R358 PolarHBondContact O-N 3.04Å; C356-L359 PolarHBondContact O-N 2.78Å; C356-Q360 WeakPolarHBondContact O-CB 3.39Å; C356-Q360 VanDerWaalsContact O-CG 3.24Å; C356-Q360 WeakPolarHBondContact O-CG 3.34Å; C356-Q360 PolarHBondContact O-N 3.14Å; C356-Q360 PolarHBondContact SG-NE2 3.44Å
357	K	98.5	Very high	97.6	Very high	148 Å²	148	51.7 Å²	51.7	64%	0.643	25%	0.249	S	C	*	.	H	α-helix	trans	-59.5	-44.3	177.7	-176.3	-178.6	177.4	-175.3	0	111.9	E353 Q354 L355 Q360 E361	E353-K357 VanDerWaalsContact O-CB 3.31Å; E353-K357 WeakPolarHBondContact O-CB 3.4Å; E353-K357 PolarHBondContact O-N 2.85Å; Q354-K357 PolarHBondContact O-N 2.97Å; L355-K357 PolarHBondContact O-N 3.37Å; K357-Q360 WeakPolarHBondContact O-CB 3.21Å; K357-Q360 PolarHBondContact O-N 2.79Å; K357-E361 PolarHBondContact O-N 3.47Å
358	R	98.5	Very high	97.4	Very high	46 Å²	46	53.4 Å²	53.4	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-45.3	178.9	-70.8	-172.1	70.2	172.2	4.6	112	L332 Q346 L348 Q354 L355 C356 Q360 E361 L362	L332-R358 HydrophobicContact CD2-CB 4.48Å; Q346-R358 PolarHBondContact O-NH1 3.14Å; Q346-R358 PolarHBondContact O-NH2 3.03Å; L348-R358 PolarHBondContact O-NH1 3.3Å; L348-R358 VanDerWaalsContact O-NH1 3.15Å; Q354-R358 WeakPolarHBondContact O-CB 3.48Å; Q354-R358 VanDerWaalsContact O-CG 3.27Å; Q354-R358 WeakPolarHBondContact O-CG 3.31Å; Q354-R358 PolarHBondContact O-N 3.39Å; L355-R358 PolarHBondContact O-N 3.47Å; C356-R358 VanDerWaalsContact C-N 3.35Å; C356-R358 PolarHBondContact O-N 3.04Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 3.29Å; R358-E361 PolarHBondContact O-N 3.16Å; R358-L362 WeakPolarHBondContact O-CG 3.4Å; R358-L362 PolarHBondContact O-N 2.97Å
359	L	98.6	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-37.5	175.4	-74	173.9	0	0	0	112.1	I230 T248 L249 L252 V307 V309 L332 L355 C356 E361 L362 C363	I230-L359 HydrophobicContact CD1-CD2 4.08Å; I230-L359 HydrophobicContact CG1-CD2 4.44Å; T248-L359 HydrophobicContact CG2-CD1 3.88Å; L249-L359 HydrophobicContact CD2-CD1 4.49Å; L252-L359 HydrophobicContact CD1-CB 3.82Å; L252-L359 HydrophobicContact CD1-CD1 4.43Å; L252-L359 HydrophobicContact CD2-CB 4.38Å; V307-L359 HydrophobicContact CG1-CD2 4.2Å; V309-L359 HydrophobicContact CG2-CD1 4.47Å; V309-L359 HydrophobicContact CG2-CD2 4.14Å; L332-L359 HydrophobicContact CD1-CD2 3.56Å; L332-L359 HydrophobicContact CD1-CG 3.9Å; L355-L359 HydrophobicContact CD1-CD1 3.93Å; L355-L359 HydrophobicContact CD1-CG 4.22Å; L355-L359 HydrophobicContact CG-CD1 4.2Å; L355-L359 PolarHBondContact O-N 3.18Å; C356-L359 PolarHBondContact O-N 2.78Å; L359-E361 VanDerWaalsContact C-N 3.33Å; L359-E361 PolarHBondContact O-N 3.32Å; L359-L362 PolarHBondContact O-N 2.9Å; L359-C363 WeakPolarHBondContact O-CB 3.33Å; L359-C363 PolarHBondContact O-N 3.38Å; L359-C363 PolarHBondContact O-SG 3.46Å
360	Q	98.4	Very high	96.8	Very high	30 Å²	30	53 Å²	53	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-42.8	173.9	-73.5	174.4	22.1	0	0	112.3	L252 L257 C356 K357 R358 R364	L252-Q360 HydrophobicContact CD2-CB 4.21Å; L252-Q360 HydrophobicContact CD2-CG 3.26Å; L257-Q360 HydrophobicContact CD1-CB 3.92Å; L257-Q360 HydrophobicContact CD1-CG 3.72Å; C356-Q360 WeakPolarHBondContact O-CB 3.39Å; C356-Q360 VanDerWaalsContact O-CG 3.24Å; C356-Q360 WeakPolarHBondContact O-CG 3.34Å; C356-Q360 PolarHBondContact O-N 3.14Å; C356-Q360 PolarHBondContact SG-NE2 3.44Å; K357-Q360 WeakPolarHBondContact O-CB 3.21Å; K357-Q360 PolarHBondContact O-N 2.79Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 3.29Å; Q360-R364 WeakPolarHBondContact O-CG 3.48Å; Q360-R364 PolarHBondContact O-N 3.02Å; Q360-R364 VanDerWaalsContact O-N 3.11Å
361	E	98.1	Very high	96.4	Very high	102 Å²	102	52.4 Å²	52.4	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-47.6	176.5	-179.2	173.4	-166.8	0	0	111.4	K357 R358 L359 C363 R364 R365 L368	K357-E361 PolarHBondContact O-N 3.47Å; R358-E361 PolarHBondContact O-N 3.16Å; L359-E361 VanDerWaalsContact C-N 3.33Å; L359-E361 PolarHBondContact O-N 3.32Å; E361-C363 VanDerWaalsContact C-N 3.34Å; E361-C363 PolarHBondContact O-N 3.45Å; E361-R364 PolarHBondContact O-N 3.35Å; E361-R365 PolarHBondContact O-N 2.88Å; E361-L368 HydrophobicContact CG-CD1 4.08Å
362	L	97.8	Very high	96	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-34.3	178.7	-65.9	171.8	0	0	0	112.6	L228 V307 F330 L332 R358 L359 R365 P366 L368 A369	L228-L362 HydrophobicContact CD1-CB 4.22Å; L228-L362 HydrophobicContact CD2-CB 3.66Å; V307-L362 HydrophobicContact CG1-CD1 4.45Å; V307-L362 HydrophobicContact CG2-CD1 3.83Å; F330-L362 HydrophobicContact CD1-CD1 4.45Å; L332-L362 HydrophobicContact CD1-CD1 4.1Å; R358-L362 WeakPolarHBondContact O-CG 3.4Å; R358-L362 PolarHBondContact O-N 2.97Å; L359-L362 PolarHBondContact O-N 2.9Å; L362-R365 CarbonylContact O-C 3.52Å; L362-R365 PolarHBondContact O-N 3.11Å; L362-P366 VanDerWaalsContact O-CA 3.24Å; L362-P366 WeakPolarHBondContact O-CA 3.46Å; L362-P366 WeakPolarHBondContact O-CD 3.12Å; L362-L368 HydrophobicContact CD2-CB 3.93Å; L362-A369 HydrophobicContact CD2-CB 4.2Å
363	C	97.6	Very high	95.5	Very high	12 Å²	12	51 Å²	51	8%	0.081	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-40.7	172.4	-76.6	0	0	0	0	112	L257 L359 E361 R365	L257-C363 HydrophobicContact CB-CB 4.07Å; L257-C363 HydrophobicContact CD1-CB 4.14Å; L257-C363 HydrophobicContact CG-CB 4.49Å; L359-C363 WeakPolarHBondContact O-CB 3.33Å; L359-C363 PolarHBondContact O-N 3.38Å; L359-C363 PolarHBondContact O-SG 3.46Å; E361-C363 VanDerWaalsContact C-N 3.34Å; E361-C363 PolarHBondContact O-N 3.45Å; C363-R365 VanDerWaalsContact C-N 3.3Å
364	R	96.1	Very high	94.9	Very high	151 Å²	151	47 Å²	47	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-70.7	-29.7	176.3	-70.7	-178.9	-173.8	113.1	1.1	112.4	L257 Q360 E361	L257-R364 HydrophobicContact CD2-CG 3.74Å; Q360-R364 WeakPolarHBondContact O-CG 3.48Å; Q360-R364 PolarHBondContact O-N 3.02Å; Q360-R364 VanDerWaalsContact O-N 3.11Å; E361-R364 PolarHBondContact O-N 3.35Å
365	R	95.1	Very high	94.5	Very high	120 Å²	120	46.4 Å²	46.4	45%	0.453	21%	0.212	S	C	.	.			trans	-136.6	73.1	-176.6	-71.2	-166.6	59.6	-168.1	-6.7	112	E361 L362 C363 D367 L368	E361-R365 PolarHBondContact O-N 2.88Å; L362-R365 CarbonylContact O-C 3.52Å; L362-R365 PolarHBondContact O-N 3.11Å; C363-R365 VanDerWaalsContact C-N 3.3Å; R365-D367 WeakPolarHBondContact CA-OD1 3.45Å; R365-D367 WeakPolarHBondContact CB-OD1 3.39Å; R365-D367 IonicContact CZ-OD2 3.7Å; R365-D367 IonicContact NE-OD1 2.63Å; R365-D367 IonicContact NE-OD2 2.78Å; R365-D367 IonicContact NH2-OD2 3.56Å; R365-D367 PolarHBondContact NH2-OD2 2.95Å; R365-D367 PolarHBondContact O-N 3.16Å; R365-D367 VanDerWaalsContact O-N 3.15Å; R365-L368 HydrophobicContact CB-CD1 3.78Å; R365-L368 HydrophobicContact CB-CG 3.94Å; R365-L368 WeakPolarHBondContact O-CB 3.37Å; R365-L368 PolarHBondContact O-N 2.77Å; R365-L368 VanDerWaalsContact O-N 3.09Å
366	P	95.2	Very high	94.2	Very high	22 Å²	22	47.3 Å²	47.3	14%	0.143	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-22.7	179.3	-23.4	34.8	0	0	0	113.1	L228 L362 L368 A369 R370	L228-P366 HydrophobicContact CB-CB 4.27Å; L228-P366 HydrophobicContact CB-CG 4.15Å; L228-P366 HydrophobicContact CD1-CB 4.01Å; L362-P366 VanDerWaalsContact O-CA 3.24Å; L362-P366 WeakPolarHBondContact O-CA 3.46Å; L362-P366 WeakPolarHBondContact O-CD 3.12Å; P366-L368 PolarHBondContact O-N 3.48Å; P366-A369 PolarHBondContact O-N 3.4Å; P366-R370 WeakPolarHBondContact O-CG 3.02Å; P366-R370 PolarHBondContact O-N 3.05Å; P366-R370 VanDerWaalsContact O-N 3.16Å
367	D	91.5	Very high	93.9	Very high	32 Å²	32	50.9 Å²	50.9	17%	0.171	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-31	174.2	65.9	-65.8	0	0	0	112.8	L219 R365 R370 R371	L219-D367 HydrophobicContact CD1-CB 3.77Å; R365-D367 WeakPolarHBondContact CA-OD1 3.45Å; R365-D367 WeakPolarHBondContact CB-OD1 3.39Å; R365-D367 IonicContact CZ-OD2 3.7Å; R365-D367 IonicContact NE-OD1 2.63Å; R365-D367 IonicContact NE-OD2 2.78Å; R365-D367 IonicContact NH2-OD2 3.56Å; R365-D367 PolarHBondContact NH2-OD2 2.95Å; R365-D367 PolarHBondContact O-N 3.16Å; R365-D367 VanDerWaalsContact O-N 3.15Å; D367-R370 PolarHBondContact O-N 3.3Å; D367-R371 VanDerWaalsContact O-CB 3.28Å; D367-R371 WeakPolarHBondContact O-CB 3.2Å; D367-R371 VanDerWaalsContact O-CG 3.24Å; D367-R371 WeakPolarHBondContact O-CG 3.15Å; D367-R371 PolarHBondContact O-N 3.48Å; D367-R371 IonicContact OD2-NH1 3.52Å
368	L	92.9	Very high	93.7	Very high	35 Å²	35	44.7 Å²	44.7	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-49.2	177.9	-68.3	175.9	0	0	0	111.2	E361 L362 R365 P366 H372	E361-L368 HydrophobicContact CG-CD1 4.08Å; L362-L368 HydrophobicContact CD2-CB 3.93Å; R365-L368 HydrophobicContact CB-CD1 3.78Å; R365-L368 HydrophobicContact CB-CG 3.94Å; R365-L368 WeakPolarHBondContact O-CB 3.37Å; R365-L368 PolarHBondContact O-N 2.77Å; R365-L368 VanDerWaalsContact O-N 3.09Å; P366-L368 PolarHBondContact O-N 3.48Å; L368-H372 WeakPolarHBondContact O-CB 3.3Å; L368-H372 PolarHBondContact O-N 2.87Å; L368-H372 VanDerWaalsContact O-N 3.14Å
369	A	93.7	Very high	93.4	Very high	1 Å²	1	45 Å²	45	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-40.8	177.2	0	0	0	0	0	112.1	R192 L228 D306 V307 F330 L362 P366 R371 H372	R192-A369 PolarHBondContact NH1-O 2.96Å; R192-A369 VanDerWaalsContact NH1-O 3.08Å; L228-A369 HydrophobicContact CD1-CB 4.25Å; D306-A369 HydrophobicContact CB-CB 4.26Å; V307-A369 HydrophobicContact CG2-CB 3.77Å; F330-A369 HydrophobicContact CB-CB 4Å; F330-A369 HydrophobicContact CG-CB 4.48Å; L362-A369 HydrophobicContact CD2-CB 4.2Å; P366-A369 PolarHBondContact O-N 3.4Å; A369-R371 VanDerWaalsContact C-N 3.34Å; A369-R371 PolarHBondContact O-N 3.34Å; A369-H372 PolarHBondContact O-N 3.09Å
370	R	92.9	Very high	93.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-26.1	-176.8	-68.5	173.8	-176.4	149.5	9.6	114.1	R192 L219 D223 K226 P227 D306 P366 D367	R192-R370 PolarHBondContact NE-O 2.81Å; R192-R370 VanDerWaalsContact NH1-C 3.3Å; R192-R370 PolarHBondContact NH1-O 3Å; L219-R370 HydrophobicContact CD1-CB 4.45Å; L219-R370 HydrophobicContact CD2-CB 3.81Å; D223-R370 PolarHBondContact O-NH1 3.44Å; K226-R370 PolarHBondContact O-NH1 3.41Å; K226-R370 PolarHBondContact O-NH2 3.42Å; P227-R370 PolarHBondContact O-NH2 3.15Å; D306-R370 WeakPolarHBondContact OD1-CG 3.43Å; D306-R370 IonicContact OD1-CZ 3.79Å; D306-R370 IonicContact OD1-NE 3.83Å; D306-R370 PolarHBondContact OD1-NE 3.22Å; D306-R370 IonicContact OD1-NH2 3.83Å; D306-R370 IonicContact OD2-CZ 3.55Å; D306-R370 IonicContact OD2-NE 3.89Å; D306-R370 PolarHBondContact OD2-NE 3.36Å; D306-R370 IonicContact OD2-NH2 2.95Å; D306-R370 PolarHBondContact OD2-NH2 3.15Å; P366-R370 WeakPolarHBondContact O-CG 3.02Å; P366-R370 PolarHBondContact O-N 3.05Å; P366-R370 VanDerWaalsContact O-N 3.16Å; D367-R370 PolarHBondContact O-N 3.3Å
371	R	89.1	Confident	93.2	Very high	69 Å²	69	49.4 Å²	49.4	26%	0.26	24%	0.242	S	C	.	.	H	α-helix	trans	-94.6	-18.5	176.2	-64.2	-179.5	-177	157.2	4.9	113	T217 L219 D367 A369 V373	T217-R371 HydrophobicContact CG2-CG 4.27Å; T217-R371 PolarHBondContact O-NE 3.18Å; L219-R371 HydrophobicContact CD1-CG 4.4Å; L219-R371 HydrophobicContact CD2-CG 4.38Å; L219-R371 HydrophobicContact CG-CG 4.39Å; D367-R371 VanDerWaalsContact O-CB 3.28Å; D367-R371 WeakPolarHBondContact O-CB 3.2Å; D367-R371 VanDerWaalsContact O-CG 3.24Å; D367-R371 WeakPolarHBondContact O-CG 3.15Å; D367-R371 PolarHBondContact O-N 3.48Å; D367-R371 IonicContact OD2-NH1 3.52Å; A369-R371 VanDerWaalsContact C-N 3.34Å; A369-R371 PolarHBondContact O-N 3.34Å; R371-V373 PolarHBondContact O-N 2.94Å
372	H	89.6	Confident	93.1	Very high	24 Å²	24	45.3 Å²	45.3	11%	0.111	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.4	130.1	-177.5	-166.6	75.4	0	0	0	112	R192 F330 Q346 Y347 L368 A369	R192-H372 PolarHBondContact NH1-O 3.31Å; F330-H372 HydrophobicContact CD2-CB 3.78Å; F330-H372 AromaticContact CD2-CD2 3.76Å; F330-H372 AromaticContact CD2-CG 3.56Å; F330-H372 HydrophobicContact CE2-CB 4.22Å; F330-H372 AromaticContact CE2-CD2 3.89Å; F330-H372 AromaticContact CE2-CG 3.63Å; F330-H372 AromaticContact CE2-ND1 3.78Å; Q346-H372 PolarHBondContact NE2-NE2 2.97Å; Y347-H372 AromaticContact CE1-NE2 3.77Å; Y347-H372 AromaticContact CZ-NE2 3.65Å; Y347-H372 PolarHBondContact OH-CD2 3.38Å; Y347-H372 PolarHBondContact OH-NE2 3.41Å; L368-H372 WeakPolarHBondContact O-CB 3.3Å; L368-H372 PolarHBondContact O-N 2.87Å; L368-H372 VanDerWaalsContact O-N 3.14Å; A369-H372 PolarHBondContact O-N 3.09Å
373	V	87.4	Confident	93.1	Very high	62 Å²	62	45.7 Å²	45.7	38%	0.376	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-90.4	118.3	169	-179.6	0	0	0	0	107.7	R371 M375	R371-V373 PolarHBondContact O-N 2.94Å; V373-M375 PolarHBondContact O-N 3.13Å
374	V	86.6	Confident	92.9	Very high	34 Å²	34	50.7 Å²	50.7	21%	0.206	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.7	126.7	-174.7	-175.1	0	0	0	0	110.2	V325 C329 Y347 V376	V325-V374 HydrophobicContact CG1-CG1 3.6Å; C329-V374 WeakPolarHBondContact O-CG2 3.4Å; Y347-V374 WeakPolarHBondContact OH-CA 3.29Å; V374-V376 HydrophobicContact CG1-CB 4.07Å; V374-V376 HydrophobicContact CG1-CG2 4.03Å; V374-V376 PolarHBondContact O-N 3Å
375	M	89.4	Confident	92.9	Very high	62 Å²	62	46 Å²	46	31%	0.305	25%	0.246	S	C	.	.			trans	-90.3	37.6	-175.9	-55.9	-155.1	-66.4	0	0	112.4	P211 P344 Q346 Y347 V373	P211-M375 WeakPolarHBondContact CD-SD 3.47Å; P211-M375 HydrophobicContact CG-CG 4.09Å; P211-M375 HydrophobicContact CG-SD 3.27Å; P211-M375 WeakPolarHBondContact CG-SD 3.24Å; P344-M375 HydrophobicContact CG-CB 4.39Å; Q346-M375 HydrophobicContact CG-CE 4.12Å; Y347-M375 HydrophobicContact CE2-CB 4.28Å; Y347-M375 PolarHBondContact OH-N 3.44Å; V373-M375 PolarHBondContact O-N 3.13Å
376	V	91.8	Very high	93.1	Very high	18 Å²	18	40.6 Å²	40.6	11%	0.109	23%	0.226	C	C	.	.			trans	-127.9	113.9	-179.1	-178.5	0	0	0	0	107.7	L322 V325 F343 Y347 V374 T378	L322-V376 HydrophobicContact CD2-CG1 4.49Å; V325-V376 HydrophobicContact CG1-CB 4Å; V325-V376 HydrophobicContact CG1-CG1 4.32Å; F343-V376 HydrophobicContact CD1-CG2 3.71Å; F343-V376 HydrophobicContact CE1-CG1 4.4Å; F343-V376 HydrophobicContact CE1-CG2 4.03Å; Y347-V376 HydrophobicContact CD2-CG2 4.4Å; Y347-V376 HydrophobicContact CE2-CG2 4.03Å; V374-V376 HydrophobicContact CG1-CB 4.07Å; V374-V376 HydrophobicContact CG1-CG2 4.03Å; V374-V376 PolarHBondContact O-N 3Å; V376-T378 PolarHBondContact O-N 2.91Å; V376-T378 VanDerWaalsContact O-N 3.13Å
377	D	92.6	Very high	93.1	Very high	89 Å²	89	42.7 Å²	42.7	48%	0.476	23%	0.233	S	C	.	.			trans	-79.8	94.6	174.1	-175.3	2.6	0	0	0	110.1	S379 L380	D377-S379 PolarHBondContact O-N 3.27Å; D377-S379 WeakPolarHBondContact OD1-CB 3.22Å; D377-S379 PolarHBondContact OD1-N 3.18Å; D377-S379 PolarHBondContact OD1-OG 3.1Å; D377-S379 PolarHBondContact OD2-OG 3.21Å; D377-S379 VanDerWaalsContact OD2-OG 3.14Å; D377-L380 HydrophobicContact CB-CD1 4.12Å; D377-L380 HydrophobicContact CB-CG 4.13Å; D377-L380 PolarHBondContact O-N 3.46Å
378	T	94.4	Very high	93.4	Very high	18 Å²	18	44.9 Å²	44.9	11%	0.11	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20.8	177.7	58	0	0	0	0	113.1	F178 L322 V325 H326 V376 L380 Y381	F178-T378 WeakPolarHBondContact CE2-O 3.41Å; F178-T378 HydrophobicContact CZ-CG2 4.48Å; L322-T378 HydrophobicContact CD2-CG2 4.44Å; V325-T378 HydrophobicContact CB-CG2 4.47Å; V325-T378 HydrophobicContact CG1-CG2 3.84Å; H326-T378 HydrophobicContact CB-CG2 4.18Å; H326-T378 PolarHBondContact ND1-OG1 3.38Å; V376-T378 PolarHBondContact O-N 2.91Å; V376-T378 VanDerWaalsContact O-N 3.13Å; T378-L380 PolarHBondContact O-N 3.31Å; T378-Y381 PolarHBondContact O-N 3.07Å; T378-Y381 VanDerWaalsContact O-N 3.1Å
379	S	93.4	Very high	93.6	Very high	52 Å²	52	48 Å²	48	36%	0.364	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-64.7	-26.4	-178.5	79	0	0	0	0	112.6	D377 Y381 S382 S385	D377-S379 PolarHBondContact O-N 3.27Å; D377-S379 WeakPolarHBondContact OD1-CB 3.22Å; D377-S379 PolarHBondContact OD1-N 3.18Å; D377-S379 PolarHBondContact OD1-OG 3.1Å; D377-S379 PolarHBondContact OD2-OG 3.21Å; D377-S379 VanDerWaalsContact OD2-OG 3.14Å; S379-Y381 PolarHBondContact O-N 3.25Å; S379-S382 VanDerWaalsContact O-CB 3.29Å; S379-S382 WeakPolarHBondContact O-CB 3.37Å; S379-S382 PolarHBondContact O-N 3.44Å; S379-S382 PolarHBondContact O-OG 3.27Å; S379-S385 VanDerWaalsContact O-CB 3.27Å; S379-S385 WeakPolarHBondContact O-CB 3.34Å; S379-S385 PolarHBondContact O-OG 2.72Å
380	L	95.1	Very high	93.7	Very high	99 Å²	99	47.9 Å²	47.9	52%	0.518	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.6	175.6	-61.2	177.8	0	0	0	112.7	D377 T378	D377-L380 HydrophobicContact CB-CD1 4.12Å; D377-L380 HydrophobicContact CB-CG 4.13Å; D377-L380 PolarHBondContact O-N 3.46Å; T378-L380 PolarHBondContact O-N 3.31Å
381	Y	96.9	Very high	93.9	Very high	23 Å²	23	52 Å²	52	9%	0.09	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-96	1.5	179.4	-53.8	-76.6	0	0	0	112.9	N173 V176 F317 L322 I342 T378 S379	N173-Y381 HydrophobicContact CB-CD1 4.07Å; V176-Y381 PolarHBondContact N-O 3.31Å; F317-Y381 AromaticContact CE2-CD1 3.95Å; F317-Y381 HydrophobicContact CE2-CD1 3.95Å; F317-Y381 HydrophobicContact CE2-CE1 4.31Å; F317-Y381 AromaticContact CZ-CD1 3.67Å; F317-Y381 HydrophobicContact CZ-CD1 3.67Å; F317-Y381 HydrophobicContact CZ-CE1 4.42Å; F317-Y381 HydrophobicContact CZ-CG 4.28Å; L322-Y381 HydrophobicContact CD1-CD1 4.31Å; L322-Y381 HydrophobicContact CD1-CD2 4.08Å; L322-Y381 HydrophobicContact CD1-CG 3.9Å; L322-Y381 HydrophobicContact CD2-CD2 3.7Å; L322-Y381 HydrophobicContact CD2-CE2 3.86Å; L322-Y381 HydrophobicContact CD2-CG 4.37Å; I342-Y381 HydrophobicContact CG1-CE1 4.47Å; I342-Y381 HydrophobicContact CG2-CE2 4.23Å; T378-Y381 PolarHBondContact O-N 3.07Å; T378-Y381 VanDerWaalsContact O-N 3.1Å; S379-Y381 PolarHBondContact O-N 3.25Å
382	S	96.9	Very high	94.1	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.112	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-73.2	150.8	-178.1	74.8	0	0	0	0	111.8	V176 S379 T384 S385 L386	V176-S382 VanDerWaalsContact O-CA 3.32Å; V176-S382 WeakPolarHBondContact O-CA 3.25Å; S379-S382 VanDerWaalsContact O-CB 3.29Å; S379-S382 WeakPolarHBondContact O-CB 3.37Å; S379-S382 PolarHBondContact O-N 3.44Å; S379-S382 PolarHBondContact O-OG 3.27Å; S382-T384 PolarHBondContact O-N 3.01Å; S382-S385 PolarHBondContact O-N 3.32Å; S382-S385 PolarHBondContact OG-N 3.43Å; S382-S385 PolarHBondContact OG-OG 3.48Å; S382-L386 WeakPolarHBondContact O-CG 3.35Å; S382-L386 PolarHBondContact O-N 3.38Å; S382-L386 VanDerWaalsContact O-N 3.08Å
383	W	95.9	Very high	94.4	Very high	18 Å²	18	50 Å²	50	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-51.2	-43.1	168.7	171.4	-117.6	0	0	0	111.9	L29 L30 N33 I34 P175 V176 S385 L386 K387 F390	L29-W383 HydrophobicContact CD1-CB 4.31Å; L29-W383 HydrophobicContact CD1-CD2 3.96Å; L29-W383 HydrophobicContact CD1-CG 3.83Å; L29-W383 HydrophobicContact CD2-CB 4.08Å; L29-W383 HydrophobicContact CD2-CD2 3.66Å; L29-W383 HydrophobicContact CD2-CE3 3.4Å; L29-W383 HydrophobicContact CD2-CG 3.96Å; L29-W383 HydrophobicContact CD2-CZ3 4.04Å; L29-W383 HydrophobicContact CG-CD2 3.82Å; L29-W383 HydrophobicContact CG-CE3 3.88Å; L29-W383 HydrophobicContact CG-CG 4.19Å; L29-W383 HydrophobicContact CG-CZ3 4.29Å; L30-W383 HydrophobicContact CD2-CH2 3.97Å; L30-W383 HydrophobicContact CD2-CZ3 4.01Å; N33-W383 HydrophobicContact CB-CH2 4.26Å; N33-W383 HydrophobicContact CB-CZ2 3.29Å; N33-W383 VanDerWaalsContact CG-NE1 3.32Å; N33-W383 PolarHBondContact OD1-NE1 2.85Å; N33-W383 VanDerWaalsContact OD1-NE1 3.09Å; I34-W383 HydrophobicContact CD1-CH2 4.31Å; P175-W383 HydrophobicContact CB-CB 4.25Å; P175-W383 HydrophobicContact CB-CE3 3.67Å; P175-W383 HydrophobicContact CB-CZ3 4.46Å; P175-W383 HydrophobicContact CG-CE3 4.09Å; V176-W383 PolarHBondContact O-N 2.96Å; W383-S385 VanDerWaalsContact C-N 3.3Å; W383-S385 PolarHBondContact O-N 3.33Å; W383-L386 PolarHBondContact O-N 2.73Å; W383-K387 HydrophobicContact CD2-CB 4.19Å; W383-K387 HydrophobicContact CE3-CB 4.48Å; W383-K387 HydrophobicContact CH2-CB 4.24Å; W383-K387 HydrophobicContact CH2-CG 4.17Å; W383-K387 HydrophobicContact CZ2-CB 3.85Å; W383-K387 HydrophobicContact CZ2-CD 3.87Å; W383-K387 HydrophobicContact CZ2-CG 3.61Å; W383-K387 WeakPolarHBondContact O-CA 3.32Å; W383-K387 VanDerWaalsContact O-CB 3.23Å; W383-K387 WeakPolarHBondContact O-CB 3.4Å; W383-K387 PolarHBondContact O-N 3Å; W383-F390 HydrophobicContact CE3-CD2 4.43Å; W383-F390 HydrophobicContact CH2-CB 4.14Å; W383-F390 HydrophobicContact CZ3-CB 3.94Å; W383-F390 AromaticContact CZ3-CD2 3.84Å; W383-F390 HydrophobicContact CZ3-CD2 3.84Å; W383-F390 AromaticContact CZ3-CG 3.91Å; W383-F390 HydrophobicContact CZ3-CG 3.91Å
384	T	94.6	Very high	94.8	Very high	117 Å²	117	47.5 Å²	47.5	72%	0.718	27%	0.266	S	S	*	.	H	α-helix	trans	-56	-44.8	-178.1	-52	0	0	0	0	112.1	S382	S382-T384 PolarHBondContact O-N 3.01Å
385	S	96.7	Very high	95	Very high	54 Å²	54	48 Å²	48	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-74.4	-34.2	179.3	-59.7	0	0	0	0	113.1	S379 S382 W383	S379-S385 VanDerWaalsContact O-CB 3.27Å; S379-S385 WeakPolarHBondContact O-CB 3.34Å; S379-S385 PolarHBondContact O-OG 2.72Å; S382-S385 PolarHBondContact O-N 3.32Å; S382-S385 PolarHBondContact OG-N 3.43Å; S382-S385 PolarHBondContact OG-OG 3.48Å; W383-S385 VanDerWaalsContact C-N 3.3Å; W383-S385 PolarHBondContact O-N 3.33Å
386	L	97.6	Very high	94.2	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-90.1	-16	-175.1	-63.1	175.2	0	0	0	113.6	L172 N173 P175 S382 W383 P388 Q389 F390	L172-L386 HydrophobicContact CD1-CD2 4.33Å; N173-L386 HydrophobicContact CB-CD1 3.97Å; N173-L386 WeakPolarHBondContact O-CD1 3.2Å; P175-L386 HydrophobicContact CB-CD1 4.25Å; S382-L386 WeakPolarHBondContact O-CG 3.35Å; S382-L386 PolarHBondContact O-N 3.38Å; S382-L386 VanDerWaalsContact O-N 3.08Å; W383-L386 PolarHBondContact O-N 2.73Å; L386-P388 VanDerWaalsContact C-CD 3.5Å; L386-Q389 WeakPolarHBondContact O-CB 3.22Å; L386-Q389 PolarHBondContact O-N 2.81Å; L386-F390 HydrophobicContact CB-CD2 4.13Å; L386-F390 HydrophobicContact CB-CE2 4.22Å; L386-F390 PolarHBondContact O-N 2.93Å; L386-F390 VanDerWaalsContact O-N 3.07Å
387	K	96.6	Very high	93.1	Very high	65 Å²	65	55 Å²	55	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-50.4	-46.8	-177.8	174.7	173.6	-175.7	174.7	0	113.3	W383 Q389 F390 Q391	W383-K387 HydrophobicContact CD2-CB 4.19Å; W383-K387 HydrophobicContact CE3-CB 4.48Å; W383-K387 HydrophobicContact CH2-CB 4.24Å; W383-K387 HydrophobicContact CH2-CG 4.17Å; W383-K387 HydrophobicContact CZ2-CB 3.85Å; W383-K387 HydrophobicContact CZ2-CD 3.87Å; W383-K387 HydrophobicContact CZ2-CG 3.61Å; W383-K387 WeakPolarHBondContact O-CA 3.32Å; W383-K387 VanDerWaalsContact O-CB 3.23Å; W383-K387 WeakPolarHBondContact O-CB 3.4Å; W383-K387 PolarHBondContact O-N 3Å; K387-Q389 VanDerWaalsContact C-N 3.28Å; K387-Q389 PolarHBondContact O-N 3.3Å; K387-F390 PolarHBondContact O-N 3.16Å; K387-Q391 HydrophobicContact CG-CG 4.28Å; K387-Q391 WeakPolarHBondContact O-CB 3.39Å; K387-Q391 WeakPolarHBondContact O-CG 3.39Å; K387-Q391 PolarHBondContact O-N 2.92Å
388	P	96.7	Very high	91.2	Very high	78 Å²	78	54 Å²	54	51%	0.506	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-37.1	179.3	-24.2	35.3	0	0	0	113.1	L386 Q391 A392	L386-P388 VanDerWaalsContact C-CD 3.5Å; P388-Q391 PolarHBondContact O-N 3.25Å; P388-A392 WeakPolarHBondContact O-CB 3.4Å; P388-A392 PolarHBondContact O-N 3.34Å
389	Q	96.9	Very high	88.9	Confident	100 Å²	100	60.9 Å²	60.9	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-71.1	-39.9	178.9	-62.6	177	57.3	0	0	111.4	L172 L386 K387 A392 L393	L172-Q389 HydrophobicContact CD1-CB 3.61Å; L386-Q389 WeakPolarHBondContact O-CB 3.22Å; L386-Q389 PolarHBondContact O-N 2.81Å; K387-Q389 VanDerWaalsContact C-N 3.28Å; K387-Q389 PolarHBondContact O-N 3.3Å; Q389-A392 PolarHBondContact O-N 3.02Å; Q389-L393 VanDerWaalsContact O-CB 3.29Å; Q389-L393 WeakPolarHBondContact O-CB 3.22Å; Q389-L393 PolarHBondContact O-N 3.05Å
390	F	97.3	Very high	88.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-39.9	171.9	-86.3	-80.4	0	0	0	112.1	L26 L30 Y97 L172 P175 W383 L386 K387 L393 L394	L26-F390 HydrophobicContact CD1-CE1 4.06Å; L26-F390 HydrophobicContact CD1-CZ 4.13Å; L30-F390 HydrophobicContact CD2-CB 4.32Å; L30-F390 HydrophobicContact CD2-CD1 3.74Å; L30-F390 HydrophobicContact CD2-CE1 4.38Å; L30-F390 HydrophobicContact CD2-CG 4.18Å; Y97-F390 HydrophobicContact CD2-CE1 4.39Å; Y97-F390 HydrophobicContact CE2-CE1 4.11Å; Y97-F390 AromaticContact CE2-CZ 3.93Å; Y97-F390 HydrophobicContact CE2-CZ 3.93Å; L172-F390 HydrophobicContact CD1-CD2 4.05Å; L172-F390 HydrophobicContact CD1-CE2 3.85Å; L172-F390 HydrophobicContact CD1-CZ 4.43Å; L172-F390 HydrophobicContact CD2-CD1 3.74Å; L172-F390 HydrophobicContact CD2-CD2 3.85Å; L172-F390 HydrophobicContact CD2-CE1 3.64Å; L172-F390 HydrophobicContact CD2-CE2 3.74Å; L172-F390 HydrophobicContact CD2-CG 3.84Å; L172-F390 HydrophobicContact CD2-CZ 3.63Å; L172-F390 HydrophobicContact CG-CD2 4.14Å; L172-F390 HydrophobicContact CG-CE1 4.27Å; L172-F390 HydrophobicContact CG-CE2 3.66Å; L172-F390 HydrophobicContact CG-CZ 3.73Å; P175-F390 HydrophobicContact CB-CE2 4.06Å; P175-F390 HydrophobicContact CG-CD2 4.5Å; P175-F390 HydrophobicContact CG-CE2 3.73Å; P175-F390 HydrophobicContact CG-CZ 3.9Å; W383-F390 HydrophobicContact CE3-CD2 4.43Å; W383-F390 HydrophobicContact CH2-CB 4.14Å; W383-F390 HydrophobicContact CZ3-CB 3.94Å; W383-F390 AromaticContact CZ3-CD2 3.84Å; W383-F390 HydrophobicContact CZ3-CD2 3.84Å; W383-F390 AromaticContact CZ3-CG 3.91Å; W383-F390 HydrophobicContact CZ3-CG 3.91Å; L386-F390 HydrophobicContact CB-CD2 4.13Å; L386-F390 HydrophobicContact CB-CE2 4.22Å; L386-F390 PolarHBondContact O-N 2.93Å; L386-F390 VanDerWaalsContact O-N 3.07Å; K387-F390 PolarHBondContact O-N 3.16Å; F390-L393 PolarHBondContact O-N 2.77Å; F390-L394 WeakPolarHBondContact O-CB 3.36Å; F390-L394 VanDerWaalsContact O-CG 3.3Å; F390-L394 WeakPolarHBondContact O-CG 3.44Å; F390-L394 PolarHBondContact O-N 3.17Å
391	Q	95.9	Very high	88.4	Confident	89 Å²	89	59.4 Å²	59.4	42%	0.416	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175.8	-74.9	176.3	-42.2	0	0	111.9	I34 K387 P388 L394 S395	I34-Q391 HydrophobicContact CD1-CG 3.53Å; K387-Q391 HydrophobicContact CG-CG 4.28Å; K387-Q391 WeakPolarHBondContact O-CB 3.39Å; K387-Q391 WeakPolarHBondContact O-CG 3.39Å; K387-Q391 PolarHBondContact O-N 2.92Å; P388-Q391 PolarHBondContact O-N 3.25Å; Q391-L394 CarbonylContact O-C 3.44Å; Q391-L394 PolarHBondContact O-N 3.38Å; Q391-S395 PolarHBondContact O-N 2.85Å
392	A	94.9	Very high	87.9	Confident	41 Å²	41	61.4 Å²	61.4	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-38.5	175.2	0	0	0	0	0	112.2	K93 P388 Q389 L394 S395	K93-A392 PolarHBondContact NZ-O 3.29Å; P388-A392 WeakPolarHBondContact O-CB 3.4Å; P388-A392 PolarHBondContact O-N 3.34Å; Q389-A392 PolarHBondContact O-N 3.02Å; A392-L394 VanDerWaalsContact C-N 3.27Å; A392-L394 PolarHBondContact O-N 3.44Å; A392-S395 PolarHBondContact O-N 3.28Å; A392-S395 PolarHBondContact O-OG 3.05Å
393	L	95.3	Very high	87.4	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.052	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176	-171.6	65	0	0	0	111.1	K93 V95 A130 A132 V170 L172 Q389 F390	K93-L393 WeakPolarHBondContact CE-O 3.42Å; K93-L393 PolarHBondContact NZ-O 3.2Å; V95-L393 HydrophobicContact CG1-CD1 4.1Å; V95-L393 HydrophobicContact CG1-CD2 3.59Å; V95-L393 HydrophobicContact CG1-CG 3.66Å; V95-L393 HydrophobicContact CG2-CD1 4.45Å; V95-L393 HydrophobicContact CG2-CG 4.24Å; A130-L393 HydrophobicContact CB-CD1 3.79Å; A132-L393 HydrophobicContact CB-CD2 3.9Å; V170-L393 HydrophobicContact CG2-CD1 4.38Å; L172-L393 HydrophobicContact CD2-CD2 3.61Å; Q389-L393 VanDerWaalsContact O-CB 3.29Å; Q389-L393 WeakPolarHBondContact O-CB 3.22Å; Q389-L393 PolarHBondContact O-N 3.05Å; F390-L393 PolarHBondContact O-N 2.77Å
394	L	95.4	Very high	86.8	Confident	8 Å²	8	66.9 Å²	66.9	4%	0.042	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.7	-178.6	-63.2	174.7	0	0	0	114.5	V12 L30 I34 V70 F72 F390 Q391 A392	V12-L394 HydrophobicContact CG1-CD2 4.21Å; L30-L394 HydrophobicContact CD1-CD1 4.34Å; L30-L394 HydrophobicContact CD2-CD1 4.01Å; I34-L394 HydrophobicContact CG1-CD1 4.13Å; I34-L394 HydrophobicContact CG2-CD1 4.4Å; V70-L394 HydrophobicContact CG1-CD2 4.19Å; V70-L394 WeakPolarHBondContact CG2-O 3.49Å; F72-L394 HydrophobicContact CB-CD2 3.92Å; F72-L394 HydrophobicContact CD2-CD2 3.76Å; F72-L394 HydrophobicContact CG-CD2 4.18Å; F390-L394 WeakPolarHBondContact O-CB 3.36Å; F390-L394 VanDerWaalsContact O-CG 3.3Å; F390-L394 WeakPolarHBondContact O-CG 3.44Å; F390-L394 PolarHBondContact O-N 3.17Å; Q391-L394 CarbonylContact O-C 3.44Å; Q391-L394 PolarHBondContact O-N 3.38Å; A392-L394 VanDerWaalsContact C-N 3.27Å; A392-L394 PolarHBondContact O-N 3.44Å
395	S	90.8	Very high	86.3	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	39%	0.389	S	S	.	.	S	Bend	trans	-76	146.8	172.3	62.4	0	0	0	0	111.3	K93 Q391 A392 E397	K93-S395 WeakPolarHBondContact CD-O 3.32Å; K93-S395 PolarHBondContact NZ-O 3.33Å; Q391-S395 PolarHBondContact O-N 2.85Å; A392-S395 PolarHBondContact O-N 3.28Å; A392-S395 PolarHBondContact O-OG 3.05Å; S395-E397 PolarHBondContact O-N 3.17Å; S395-E397 PolarHBondContact OG-O 2.93Å
396	A	73.4	Confident	85.6	Confident	66 Å²	66	64.3 Å²	64.3	55%	0.545	39%	0.389	S	S	.	.	S	Bend	trans	-68	-24.8	175	0	0	0	0	0	112.6	R69	R69-A396 HydrophobicContact CB-CB 3.85Å; R69-A396 HydrophobicContact CG-CB 4.33Å
397	E	67.9	Low	84.7	Confident	162 Å²	162	68.8 Å²	68.8	76%	0.757	42%	0.417	S	S	*	.	S	Bend	trans	-76.1	130.4	171.3	-62.1	-178.3	177.3	0	0	108.7	K93 S395	K93-E397 PolarHBondContact NZ-O 2.88Å; S395-E397 PolarHBondContact O-N 3.17Å; S395-E397 PolarHBondContact OG-O 2.93Å
398	G	53.6	Low	83.7	Confident	69 Å²	69	69.1 Å²	69.1	71%	0.711	43%	0.428	S	S	*	.			trans	-66.6	150.3	-179.1	0	0	0	0	0	111.9
399	T	46	Very low	82.5	Confident	162 Å²	162	68.3 Å²	68.3	99%	0.994	42%	0.421	S	S	*	.			trans	-82.7	0	165.2	41.8	0	0	0	0	111.1

Retrieved 399 of 399 residues in 112.7 ms (Link to these results)

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