A0A096MSY0_PAPAN Loading...

Peroxisomal multifunctional enzyme type 2

Bifunctional enzyme acting on the peroxisomal fatty acid beta-oxidation pathway. Catalyzes two of the four reactions in fatty acid degradation: hydration of 2-enoyl-CoA (trans-2-enoyl-CoA) to produce (3R)-3-hydroxyacyl-CoA, and dehydrogenation of (3R)-3-hydroxyacyl-CoA to produce 3-ketoacyl-CoA (3-oxoacyl-CoA), which is further metabolized by SCPx. Can use straight-chain and branched-chain fatty acids, as well as bile acid intermediates as substrates.

AlphaFold DB (A0A0D9RQ88), UniProt , Accession A0A096MSY0, Species PAPAN (Papio anubis, Olive baboon), Gene HSD17B4, Length 735 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	44	Very low	88	Confident	248 Å²	248	82.2 Å²	82.2	100%	1.222	49%	0.489	S	S	*	.				0	127	0	-66.5	178.4	-159.8	0	0	106.8
2	G	57.8	Low	88.9	Confident	76 Å²	76	75.3 Å²	75.3	78%	0.784	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-69.2	164.5	179.7	0	0	0	0	0	112.3
3	S	84.4	Confident	89.7	Confident	116 Å²	116	69.5 Å²	69.5	81%	0.811	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-56.5	140.4	173.7	-58.9	0	0	0	0	111
4	P	93.7	Very high	90.4	Very high	100 Å²	100	64.6 Å²	64.6	65%	0.649	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-65	137.4	-178.8	26.1	-33.6	0	0	0	111.7	R6	P4-R6 PolarHBondContact O-N 3.1Å
5	L	97.8	Very high	90.9	Very high	61 Å²	61	60.4 Å²	60.4	32%	0.319	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-68.7	126.3	173.9	-56.8	177	0	0	0	110	R32 W224	L5-R32 WeakPolarHBondContact O-CD 3.15Å; L5-R32 PolarHBondContact O-NH1 3.33Å; L5-W224 HydrophobicContact CD1-CE3 3.88Å; L5-W224 HydrophobicContact CD1-CZ3 4.46Å
6	R	98.3	Very high	91.4	Very high	118 Å²	118	57.6 Å²	57.6	45%	0.445	35%	0.347	S	S	.	.			trans	-131.3	161.7	-177.3	-66.2	-170.9	65.2	92.8	8.5	111	P4 D8 H227	P4-R6 PolarHBondContact O-N 3.1Å; R6-D8 IonicContact CZ-OD1 3.93Å; R6-D8 IonicContact CZ-OD2 2.7Å; R6-D8 IonicContact NE-OD1 2.67Å; R6-D8 PolarHBondContact NE-OD1 3.15Å; R6-D8 IonicContact NE-OD2 3.08Å; R6-D8 PolarHBondContact NE-OD2 3.02Å; R6-D8 IonicContact NH2-OD1 3.26Å; R6-D8 PolarHBondContact NH2-OD1 3.4Å; R6-D8 IonicContact NH2-OD2 3.84Å; R6-D8 PolarHBondContact NH2-OD2 3.01Å; R6-H227 PolarHBondContact N-NE2 2.86Å; R6-H227 PolarHBondContact O-CD2 2.75Å; R6-H227 VanDerWaalsContact O-CD2 3.28Å; R6-H227 PolarHBondContact O-NE2 3Å
7	F	98.6	Very high	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.018	33%	0.327	C	S	.	.			trans	-129	27.6	-176.6	-67.9	-89.8	0	0	0	111.6	G9 R10 F29 R32 A34 L223 C226 H227	F7-G9 PolarHBondContact O-N 3.32Å; F7-R10 HydrophobicContact CB-CB 4.3Å; F7-R10 HydrophobicContact CB-CG 4.48Å; F7-R10 WeakPolarHBondContact O-CB 3.08Å; F7-R10 PolarHBondContact O-N 3Å; F7-F29 HydrophobicContact CD1-CD1 4.02Å; F7-F29 HydrophobicContact CD1-CE1 4.01Å; F7-F29 HydrophobicContact CD2-CD1 4.01Å; F7-F29 HydrophobicContact CD2-CE1 4.43Å; F7-F29 HydrophobicContact CE1-CD1 4.05Å; F7-F29 AromaticContact CE1-CE1 3.61Å; F7-F29 HydrophobicContact CE1-CE1 3.61Å; F7-F29 HydrophobicContact CE2-CD1 4.06Å; F7-F29 HydrophobicContact CE2-CE1 4.08Å; F7-F29 HydrophobicContact CG-CD1 4.01Å; F7-F29 HydrophobicContact CG-CE1 4.41Å; F7-F29 HydrophobicContact CZ-CD1 4.09Å; F7-F29 AromaticContact CZ-CE1 3.67Å; F7-F29 HydrophobicContact CZ-CE1 3.67Å; F7-R32 HydrophobicContact CD2-CB 3.85Å; F7-R32 PolarHBondContact N-O 3.25Å; F7-A34 HydrophobicContact CB-CB 3.78Å; F7-A34 WeakPolarHBondContact O-CA 3.3Å; F7-L223 HydrophobicContact CE2-CB 4.33Å; F7-L223 HydrophobicContact CE2-CG 4.13Å; F7-L223 HydrophobicContact CZ-CB 4.37Å; F7-L223 HydrophobicContact CZ-CG 4.47Å; F7-L223 VanDerWaalsContact CZ-O 3.31Å; F7-L223 WeakPolarHBondContact CZ-O 3.28Å; F7-C226 HydrophobicContact CE1-CB 4.32Å; F7-C226 WeakPolarHBondContact CE1-O 3.49Å; F7-H227 HydrophobicContact CE1-CB 4.3Å; F7-H227 HydrophobicContact CZ-CB 3.97Å; F7-H227 AromaticContact CZ-CD2 3.86Å
8	D	98.4	Very high	92.1	Very high	91 Å²	91	52 Å²	52	49%	0.487	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	127.2	-178.5	-59.5	-49	0	0	0	110.3	R6 R10 G33	R6-D8 IonicContact CZ-OD1 3.93Å; R6-D8 IonicContact CZ-OD2 2.7Å; R6-D8 IonicContact NE-OD1 2.67Å; R6-D8 PolarHBondContact NE-OD1 3.15Å; R6-D8 IonicContact NE-OD2 3.08Å; R6-D8 PolarHBondContact NE-OD2 3.02Å; R6-D8 IonicContact NH2-OD1 3.26Å; R6-D8 PolarHBondContact NH2-OD1 3.4Å; R6-D8 IonicContact NH2-OD2 3.84Å; R6-D8 PolarHBondContact NH2-OD2 3.01Å; D8-R10 PolarHBondContact O-N 3Å; D8-G33 WeakPolarHBondContact OD1-CA 2.92Å
9	G	97.4	Very high	92.3	Very high	47 Å²	47	52.5 Å²	52.5	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	1.3	-179.2	0	0	0	0	0	115.5	F7	F7-G9 PolarHBondContact O-N 3.32Å
10	R	98.8	Very high	92.4	Very high	43 Å²	43	51.3 Å²	51.3	16%	0.162	33%	0.325	C	S	.	.			trans	-89.5	133.4	174.9	-56.5	-59.1	-176.1	171.8	-0.8	111	F7 D8 L35 D94 E228	F7-R10 HydrophobicContact CB-CB 4.3Å; F7-R10 HydrophobicContact CB-CG 4.48Å; F7-R10 WeakPolarHBondContact O-CB 3.08Å; F7-R10 PolarHBondContact O-N 3Å; D8-R10 PolarHBondContact O-N 3Å; R10-L35 PolarHBondContact O-N 3.08Å; R10-D94 HydrophobicContact CB-CB 4.27Å; R10-D94 IonicContact NH1-OD1 3.68Å; R10-D94 PolarHBondContact NH1-OD1 2.99Å; R10-E228 IonicContact CZ-OE2 2.78Å; R10-E228 IonicContact NH2-OE2 3.63Å; R10-E228 PolarHBondContact NH2-OE2 3.34Å
11	V	98.9	Very high	92.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.7	173.6	-179.6	0	0	0	0	110.2	L35 V37 A86 F90 R92 D94 V95	V11-L35 CarbonylContact C-O 3.57Å; V11-L35 WeakPolarHBondContact CA-O 3.31Å; V11-L35 HydrophobicContact CG2-CB 4.11Å; V11-L35 HydrophobicContact CG2-CD1 4.05Å; V11-V37 HydrophobicContact CG1-CG2 4.49Å; V11-A86 HydrophobicContact CG1-CB 4.05Å; V11-F90 HydrophobicContact CB-CB 4.49Å; V11-F90 HydrophobicContact CG1-CB 4.2Å; V11-F90 HydrophobicContact CG1-CD2 3.8Å; V11-F90 HydrophobicContact CG1-CG 4.43Å; V11-F90 HydrophobicContact CG2-CB 3.44Å; V11-F90 VanDerWaalsContact CG2-CB 3.44Å; V11-F90 HydrophobicContact CG2-CD2 4.29Å; V11-F90 HydrophobicContact CG2-CG 4.13Å; V11-R92 HydrophobicContact CB-CG 4.09Å; V11-R92 WeakPolarHBondContact CB-O 3.1Å; V11-R92 VanDerWaalsContact CG1-O 3.31Å; V11-R92 WeakPolarHBondContact CG1-O 3.49Å; V11-R92 HydrophobicContact CG2-CG 3.4Å; V11-R92 VanDerWaalsContact CG2-CG 3.4Å; V11-D94 PolarHBondContact N-OD2 2.92Å; V11-D94 WeakPolarHBondContact O-CB 3.42Å; V11-D94 PolarHBondContact O-N 3.43Å; V11-V95 PolarHBondContact O-N 2.93Å
12	V	98.9	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.4	-174.5	-177.5	0	0	0	0	110.1	V14 F29 A34 L35 V36 V37 V95	V12-V14 HydrophobicContact CG1-CG2 3.99Å; V12-F29 HydrophobicContact CB-CG 4.41Å; V12-F29 HydrophobicContact CG1-CB 4.39Å; V12-F29 HydrophobicContact CG1-CD1 4.24Å; V12-F29 HydrophobicContact CG1-CD2 3.67Å; V12-F29 HydrophobicContact CG1-CE1 4.45Å; V12-F29 HydrophobicContact CG1-CE2 3.92Å; V12-F29 HydrophobicContact CG1-CG 3.86Å; V12-F29 HydrophobicContact CG1-CZ 4.31Å; V12-F29 HydrophobicContact CG2-CB 4.46Å; V12-F29 HydrophobicContact CG2-CD1 3.97Å; V12-F29 HydrophobicContact CG2-CE1 4.41Å; V12-F29 HydrophobicContact CG2-CG 4.19Å; V12-A34 HydrophobicContact CB-CB 4.38Å; V12-A34 HydrophobicContact CG2-CB 3.68Å; V12-L35 PolarHBondContact N-O 3.21Å; V12-V36 CarbonylContact O-C 3.45Å; V12-V36 WeakPolarHBondContact O-CA 3.38Å; V12-V37 PolarHBondContact O-N 2.94Å; V12-V95 HydrophobicContact CB-CB 4.22Å; V12-V95 HydrophobicContact CG1-CB 4Å; V12-V95 HydrophobicContact CG1-CG1 4.01Å; V12-V95 HydrophobicContact CG2-CB 3.92Å; V12-V95 HydrophobicContact CG2-CG2 3.99Å
13	L	98.9	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.7	171.3	170.9	63.1	0	0	0	109.9	V37 N39 V82 V83 I93 V95 V96 V97 V130	L13-V37 HydrophobicContact CB-CB 4.43Å; L13-V37 HydrophobicContact CD1-CB 3.74Å; L13-V37 HydrophobicContact CD1-CG1 3.6Å; L13-N39 HydrophobicContact CD1-CB 4.04Å; L13-V82 HydrophobicContact CD1-CG1 3.64Å; L13-V82 HydrophobicContact CD2-CG1 3.78Å; L13-V82 HydrophobicContact CG-CG1 4.3Å; L13-V83 HydrophobicContact CD2-CG2 4.08Å; L13-I93 HydrophobicContact CB-CD1 4Å; L13-I93 HydrophobicContact CD2-CD1 3.95Å; L13-V95 PolarHBondContact N-O 2.85Å; L13-V96 HydrophobicContact CD2-CG2 4.45Å; L13-V97 PolarHBondContact O-N 3.1Å; L13-V130 HydrophobicContact CD2-CG1 3.68Å
14	V	98.9	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120	173	-171.4	0	0	0	0	109.1	V12 A17 Y25 V37 N39 V97	V12-V14 HydrophobicContact CG1-CG2 3.99Å; V14-A17 HydrophobicContact CB-CB 3.93Å; V14-A17 HydrophobicContact CG1-CB 3.88Å; V14-A17 WeakPolarHBondContact O-CB 3.4Å; V14-Y25 HydrophobicContact CG1-CD2 4.29Å; V14-V37 PolarHBondContact N-O 2.8Å; V14-N39 PolarHBondContact O-N 2.89Å; V14-V97 HydrophobicContact CB-CB 4.49Å; V14-V97 HydrophobicContact CG1-CB 4.21Å; V14-V97 HydrophobicContact CG1-CG1 4.32Å; V14-V97 HydrophobicContact CG2-CB 4.25Å; V14-V97 HydrophobicContact CG2-CG2 4.39Å
15	T	98.9	Very high	98.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.1	176.9	68.1	0	0	0	0	111.7	A17 N39 V76 V97 N99 A100 V130	T15-A17 VanDerWaalsContact C-N 3.33Å; T15-N39 CarbonylContact C-O 3.57Å; T15-V76 HydrophobicContact CG2-CG1 3.83Å; T15-V97 PolarHBondContact N-O 3.05Å; T15-V97 VanDerWaalsContact N-O 3.09Å; T15-V97 PolarHBondContact OG1-O 3.08Å; T15-N99 CarbonylContact O-C 3.46Å; T15-N99 VanDerWaalsContact O-CB 3.28Å; T15-N99 WeakPolarHBondContact O-CB 3.34Å; T15-N99 PolarHBondContact O-ND2 3.32Å; T15-N99 PolarHBondContact OG1-N 3.13Å; T15-A100 PolarHBondContact O-N 3.28Å; T15-A100 VanDerWaalsContact O-N 3.16Å; T15-A100 PolarHBondContact OG1-N 3.47Å; T15-A100 VanDerWaalsContact OG1-N 3.11Å; T15-V130 HydrophobicContact CG2-CG1 4.21Å; T15-V130 HydrophobicContact CG2-CG2 4.33Å
16	G	98.1	Very high	98.2	Very high	16 Å²	16	25.3 Å²	25.3	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	41.1	-172.9	0	0	0	0	0	112.6	N39 D40 N99	G16-N39 WeakPolarHBondContact CA-O 3.36Å; G16-N39 PolarHBondContact N-O 2.83Å; G16-D40 VanDerWaalsContact C-OD2 3.28Å; G16-D40 WeakPolarHBondContact CA-OD2 3.36Å; G16-N99 PolarHBondContact O-ND2 3.19Å
17	A	98.3	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.4	-172.5	0	0	0	0	0	114.4	V14 T15 A19 R23 A26 V38 N39 D40	V14-A17 HydrophobicContact CB-CB 3.93Å; V14-A17 HydrophobicContact CG1-CB 3.88Å; V14-A17 WeakPolarHBondContact O-CB 3.4Å; T15-A17 VanDerWaalsContact C-N 3.33Å; A17-A19 VanDerWaalsContact C-N 3.32Å; A17-A19 PolarHBondContact O-N 3.28Å; A17-R23 VanDerWaalsContact O-CA 3.24Å; A17-R23 WeakPolarHBondContact O-CA 3.33Å; A17-R23 WeakPolarHBondContact O-CB 3.45Å; A17-R23 PolarHBondContact O-N 2.86Å; A17-A26 HydrophobicContact CB-CB 4.34Å; A17-V38 HydrophobicContact CB-CB 4.43Å; A17-V38 HydrophobicContact CB-CG1 3.69Å; A17-N39 PolarHBondContact N-O 2.74Å; A17-D40 PolarHBondContact N-OD2 3.35Å
18	G	97.1	Very high	98.2	Very high	14 Å²	14	21.2 Å²	21.2	14%	0.144	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.2	-179.3	0	0	0	0	0	114.2	D40 A54	G18-D40 WeakPolarHBondContact CA-OD2 3.4Å; G18-D40 PolarHBondContact N-OD2 3.22Å; G18-A54 WeakPolarHBondContact CA-O 3.49Å
19	A	95.5	Very high	98.2	Very high	62 Å²	62	16.9 Å²	16.9	51%	0.512	12%	0.118	S	C	.	.	S	Bend	trans	-153.2	174.1	-179.9	0	0	0	0	0	112.9	A17 G22 R23	A17-A19 VanDerWaalsContact C-N 3.32Å; A17-A19 PolarHBondContact O-N 3.28Å; A19-G22 PolarHBondContact O-N 3.39Å; A19-R23 PolarHBondContact O-N 2.92Å; A19-R23 VanDerWaalsContact O-N 3.15Å
20	G	95.8	Very high	98.3	Very high	28 Å²	28	15 Å²	15	29%	0.289	10%	0.098	S	C	.	.	H	α-helix	trans	53.7	-135.3	170	0	0	0	0	0	114.4	G22 R23 A24	G20-G22 PolarHBondContact O-N 2.89Å; G20-R23 PolarHBondContact O-N 2.83Å; G20-A24 PolarHBondContact O-N 2.78Å; G20-A24 VanDerWaalsContact O-N 3.13Å
21	L	97.6	Very high	98.3	Very high	28 Å²	28	20.1 Å²	20.1	15%	0.147	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-48.7	179.9	-72.4	167.8	0	0	0	112.7	R23 A24 Y25 P194 A196 P215 V218	L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.4Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 3.45Å; L21-A24 VanDerWaalsContact O-N 3.11Å; L21-Y25 HydrophobicContact CB-CE1 4.41Å; L21-Y25 HydrophobicContact CB-CE2 3.93Å; L21-Y25 HydrophobicContact CD2-CE1 4.28Å; L21-Y25 WeakPolarHBondContact CD2-OH 3.37Å; L21-Y25 WeakPolarHBondContact O-CD1 3.37Å; L21-Y25 VanDerWaalsContact O-CD2 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.45Å; L21-Y25 PolarHBondContact O-N 2.83Å; L21-P194 HydrophobicContact CD1-CB 3.89Å; L21-P194 HydrophobicContact CD1-CG 3.69Å; L21-A196 HydrophobicContact CD1-CB 4.42Å; L21-A196 HydrophobicContact CD2-CB 3.75Å; L21-A196 HydrophobicContact CG-CB 4.14Å; L21-P215 HydrophobicContact CD2-CB 3.96Å; L21-P215 HydrophobicContact CG-CB 4.44Å; L21-V218 HydrophobicContact CD2-CB 3.73Å; L21-V218 HydrophobicContact CD2-CG1 4.07Å; L21-V218 HydrophobicContact CD2-CG2 3.79Å
22	G	98.3	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-42.4	-179	0	0	0	0	0	112.7	A19 G20 Y25 A26 N99	A19-G22 PolarHBondContact O-N 3.39Å; G20-G22 PolarHBondContact O-N 2.89Å; G22-Y25 PolarHBondContact O-N 3.28Å; G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 2.67Å; G22-N99 WeakPolarHBondContact CA-ND2 3.16Å; G22-N99 PolarHBondContact N-ND2 3.5Å
23	R	98.5	Very high	98.2	Very high	72 Å²	72	25.7 Å²	25.7	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-45.4	174.1	177.1	177.5	167.2	-81.9	3.9	111.7	A17 A19 G20 L21 Y25 A26 L27 V58 E61	A17-R23 VanDerWaalsContact O-CA 3.24Å; A17-R23 WeakPolarHBondContact O-CA 3.33Å; A17-R23 WeakPolarHBondContact O-CB 3.45Å; A17-R23 PolarHBondContact O-N 2.86Å; A19-R23 PolarHBondContact O-N 2.92Å; A19-R23 VanDerWaalsContact O-N 3.15Å; G20-R23 PolarHBondContact O-N 2.83Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.4Å; R23-Y25 VanDerWaalsContact C-N 3.32Å; R23-Y25 PolarHBondContact O-N 2.86Å; R23-A26 PolarHBondContact O-N 2.86Å; R23-L27 HydrophobicContact CG-CD1 3.98Å; R23-L27 HydrophobicContact CG-CG 4.46Å; R23-L27 WeakPolarHBondContact O-CG 3.31Å; R23-L27 PolarHBondContact O-N 3.33Å; R23-V58 HydrophobicContact CB-CG2 4.27Å; R23-V58 HydrophobicContact CG-CG1 4.15Å; R23-V58 HydrophobicContact CG-CG2 3.74Å; R23-E61 IonicContact CZ-OE1 2.76Å; R23-E61 IonicContact CZ-OE2 3.43Å; R23-E61 VanDerWaalsContact CZ-OE2 3.27Å; R23-E61 IonicContact NE-OE2 3.35Å; R23-E61 PolarHBondContact NE-OE2 3.06Å; R23-E61 VanDerWaalsContact NE-OE2 3.1Å; R23-E61 IonicContact NH2-OE1 3.35Å; R23-E61 PolarHBondContact NH2-OE1 2.99Å; R23-E61 IonicContact NH2-OE2 2.75Å; R23-E61 PolarHBondContact NH2-OE2 3.5Å
24	A	98.6	Very high	98.2	Very high	6 Å²	6	25.7 Å²	25.7	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-40.5	178.9	0	0	0	0	0	111.8	G20 L21 A28 P215	G20-A24 PolarHBondContact O-N 2.78Å; G20-A24 VanDerWaalsContact O-N 3.13Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 3.45Å; L21-A24 VanDerWaalsContact O-N 3.11Å; A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 2.98Å; A24-P215 HydrophobicContact CB-CB 3.84Å
25	Y	98.8	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-49.2	174.8	-53.3	-26.2	0	0	0	111.5	V14 L21 G22 R23 L27 A28 F29 V97 N99 I192 V218 A219 V222	V14-Y25 HydrophobicContact CG1-CD2 4.29Å; L21-Y25 HydrophobicContact CB-CE1 4.41Å; L21-Y25 HydrophobicContact CB-CE2 3.93Å; L21-Y25 HydrophobicContact CD2-CE1 4.28Å; L21-Y25 WeakPolarHBondContact CD2-OH 3.37Å; L21-Y25 WeakPolarHBondContact O-CD1 3.37Å; L21-Y25 VanDerWaalsContact O-CD2 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.45Å; L21-Y25 PolarHBondContact O-N 2.83Å; G22-Y25 PolarHBondContact O-N 3.28Å; R23-Y25 VanDerWaalsContact C-N 3.32Å; R23-Y25 PolarHBondContact O-N 2.86Å; Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.12Å; Y25-A28 PolarHBondContact O-N 3.49Å; Y25-F29 WeakPolarHBondContact O-CD2 3.43Å; Y25-F29 PolarHBondContact O-N 3.14Å; Y25-V97 HydrophobicContact CD2-CG1 3.8Å; Y25-V97 HydrophobicContact CE2-CG1 4.14Å; Y25-N99 HydrophobicContact CE2-CB 4.4Å; Y25-I192 WeakPolarHBondContact OH-CD1 3.29Å; Y25-V218 HydrophobicContact CE1-CB 4.3Å; Y25-V218 HydrophobicContact CE1-CG1 3.99Å; Y25-V218 WeakPolarHBondContact OH-CG1 3.32Å; Y25-A219 HydrophobicContact CD1-CB 3.74Å; Y25-A219 HydrophobicContact CE1-CB 4.15Å; Y25-V222 HydrophobicContact CD1-CB 4.19Å; Y25-V222 HydrophobicContact CD1-CG1 4.34Å; Y25-V222 HydrophobicContact CD1-CG2 4.17Å; Y25-V222 HydrophobicContact CD2-CG1 4.46Å; Y25-V222 HydrophobicContact CE1-CB 4.19Å; Y25-V222 HydrophobicContact CE1-CG2 3.68Å; Y25-V222 HydrophobicContact CE2-CG2 4.22Å; Y25-V222 HydrophobicContact CG-CG1 4.25Å
26	A	98.9	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-45.3	-178.4	0	0	0	0	0	112.1	A17 G22 R23 A30 V36 V38 V58 I62	A17-A26 HydrophobicContact CB-CB 4.34Å; G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 2.67Å; R23-A26 PolarHBondContact O-N 2.86Å; A26-A30 WeakPolarHBondContact O-CB 3.5Å; A26-A30 PolarHBondContact O-N 3.17Å; A26-A30 VanDerWaalsContact O-N 3.08Å; A26-V36 HydrophobicContact CB-CG1 4.02Å; A26-V38 HydrophobicContact CB-CG2 4.3Å; A26-V58 HydrophobicContact CB-CG1 4.26Å; A26-I62 HydrophobicContact CB-CD1 4.18Å
27	L	98.8	Very high	98.3	Very high	20 Å²	20	26.5 Å²	26.5	11%	0.105	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-45.9	175.9	-68.9	170.9	0	0	0	111.9	R23 Y25 A30 E31 E61 I62	R23-L27 HydrophobicContact CG-CD1 3.98Å; R23-L27 HydrophobicContact CG-CG 4.46Å; R23-L27 WeakPolarHBondContact O-CG 3.31Å; R23-L27 PolarHBondContact O-N 3.33Å; Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.12Å; L27-A30 PolarHBondContact O-N 3.05Å; L27-E31 WeakPolarHBondContact O-CB 3.04Å; L27-E31 PolarHBondContact O-N 3.03Å; L27-E61 HydrophobicContact CD2-CB 4.31Å; L27-E61 HydrophobicContact CD2-CG 3.83Å; L27-I62 HydrophobicContact CD2-CG1 3.73Å
28	A	98.7	Very high	98.3	Very high	17 Å²	17	26.5 Å²	26.5	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-37.4	-177.6	0	0	0	0	0	113.1	A24 Y25 R32 A219 L223	A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 2.98Å; Y25-A28 PolarHBondContact O-N 3.49Å; A28-R32 WeakPolarHBondContact O-CG 3.3Å; A28-A219 HydrophobicContact CB-CB 4.23Å; A28-L223 HydrophobicContact CB-CD1 3.81Å; A28-L223 HydrophobicContact CB-CD2 3.81Å; A28-L223 HydrophobicContact CB-CG 4.48Å
29	F	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-45.6	173	-81.6	-65.9	0	0	0	111.5	F7 V12 Y25 E31 R32 G33 A34 V36 V95 V97 V222 L223 C226	F7-F29 HydrophobicContact CD1-CD1 4.02Å; F7-F29 HydrophobicContact CD1-CE1 4.01Å; F7-F29 HydrophobicContact CD2-CD1 4.01Å; F7-F29 HydrophobicContact CD2-CE1 4.43Å; F7-F29 HydrophobicContact CE1-CD1 4.05Å; F7-F29 AromaticContact CE1-CE1 3.61Å; F7-F29 HydrophobicContact CE1-CE1 3.61Å; F7-F29 HydrophobicContact CE2-CD1 4.06Å; F7-F29 HydrophobicContact CE2-CE1 4.08Å; F7-F29 HydrophobicContact CG-CD1 4.01Å; F7-F29 HydrophobicContact CG-CE1 4.41Å; F7-F29 HydrophobicContact CZ-CD1 4.09Å; F7-F29 AromaticContact CZ-CE1 3.67Å; F7-F29 HydrophobicContact CZ-CE1 3.67Å; V12-F29 HydrophobicContact CB-CG 4.41Å; V12-F29 HydrophobicContact CG1-CB 4.39Å; V12-F29 HydrophobicContact CG1-CD1 4.24Å; V12-F29 HydrophobicContact CG1-CD2 3.67Å; V12-F29 HydrophobicContact CG1-CE1 4.45Å; V12-F29 HydrophobicContact CG1-CE2 3.92Å; V12-F29 HydrophobicContact CG1-CG 3.86Å; V12-F29 HydrophobicContact CG1-CZ 4.31Å; V12-F29 HydrophobicContact CG2-CB 4.46Å; V12-F29 HydrophobicContact CG2-CD1 3.97Å; V12-F29 HydrophobicContact CG2-CE1 4.41Å; V12-F29 HydrophobicContact CG2-CG 4.19Å; Y25-F29 WeakPolarHBondContact O-CD2 3.43Å; Y25-F29 PolarHBondContact O-N 3.14Å; F29-E31 PolarHBondContact O-N 2.88Å; F29-R32 CarbonylContact O-C 3.56Å; F29-R32 PolarHBondContact O-N 3.19Å; F29-R32 VanDerWaalsContact O-N 3.09Å; F29-G33 PolarHBondContact O-N 3.29Å; F29-A34 HydrophobicContact CB-CB 3.88Å; F29-A34 VanDerWaalsContact O-CB 3.25Å; F29-A34 WeakPolarHBondContact O-CB 3.37Å; F29-A34 PolarHBondContact O-N 3.46Å; F29-A34 VanDerWaalsContact O-N 3.15Å; F29-V36 HydrophobicContact CB-CG2 4.13Å; F29-V95 HydrophobicContact CZ-CG1 4.47Å; F29-V97 HydrophobicContact CE2-CG2 4.09Å; F29-V222 HydrophobicContact CE2-CG1 3.92Å; F29-V222 HydrophobicContact CZ-CG1 4.07Å; F29-L223 HydrophobicContact CD1-CD1 4.04Å; F29-L223 HydrophobicContact CD1-CG 4.03Å; F29-L223 HydrophobicContact CD2-CD1 3.83Å; F29-L223 HydrophobicContact CE1-CD1 3.92Å; F29-L223 HydrophobicContact CE1-CG 3.89Å; F29-L223 HydrophobicContact CE2-CD1 3.7Å; F29-L223 HydrophobicContact CG-CD1 3.99Å; F29-L223 HydrophobicContact CG-CG 4.42Å; F29-L223 HydrophobicContact CZ-CD1 3.74Å; F29-L223 HydrophobicContact CZ-CG 4.16Å; F29-C226 HydrophobicContact CE1-CB 3.91Å; F29-C226 HydrophobicContact CZ-CB 3.73Å
30	A	98.8	Very high	98.5	Very high	8 Å²	8	24.1 Å²	24.1	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-41	-179.2	0	0	0	0	0	112.5	A26 L27 R32 G33 V36 I62	A26-A30 WeakPolarHBondContact O-CB 3.5Å; A26-A30 PolarHBondContact O-N 3.17Å; A26-A30 VanDerWaalsContact O-N 3.08Å; L27-A30 PolarHBondContact O-N 3.05Å; A30-R32 PolarHBondContact O-N 3.29Å; A30-R32 VanDerWaalsContact O-N 3.12Å; A30-G33 PolarHBondContact O-N 3.24Å; A30-V36 HydrophobicContact CB-CG2 3.87Å; A30-I62 HydrophobicContact CB-CB 4.35Å; A30-I62 HydrophobicContact CB-CD1 4.18Å; A30-I62 HydrophobicContact CB-CG1 4Å; A30-I62 HydrophobicContact CB-CG2 3.48Å; A30-I62 VanDerWaalsContact CB-CG2 3.48Å
31	E	98.5	Very high	98.5	Very high	150 Å²	150	26.1 Å²	26.1	70%	0.701	13%	0.132	S	C	*	.	H	α-helix	trans	-57.8	-25.5	174.7	-175.8	177.1	-159.2	0	0	112.4	L27 F29	L27-E31 WeakPolarHBondContact O-CB 3.04Å; L27-E31 PolarHBondContact O-N 3.03Å; F29-E31 PolarHBondContact O-N 2.88Å
32	R	98.6	Very high	98.4	Very high	92 Å²	92	26 Å²	26	35%	0.347	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.1	179.6	-65	-179.7	-177.7	-78.8	-9.5	113.7	L5 F7 A28 F29 A30	L5-R32 WeakPolarHBondContact O-CD 3.15Å; L5-R32 PolarHBondContact O-NH1 3.33Å; F7-R32 HydrophobicContact CD2-CB 3.85Å; F7-R32 PolarHBondContact N-O 3.25Å; A28-R32 WeakPolarHBondContact O-CG 3.3Å; F29-R32 CarbonylContact O-C 3.56Å; F29-R32 PolarHBondContact O-N 3.19Å; F29-R32 VanDerWaalsContact O-N 3.09Å; A30-R32 PolarHBondContact O-N 3.29Å; A30-R32 VanDerWaalsContact O-N 3.12Å
33	G	98.3	Very high	98.1	Very high	24 Å²	24	27 Å²	27	25%	0.247	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	5	170.2	0	0	0	0	0	116	D8 F29 A30	D8-G33 WeakPolarHBondContact OD1-CA 2.92Å; F29-G33 PolarHBondContact O-N 3.29Å; A30-G33 PolarHBondContact O-N 3.24Å
34	A	98.8	Very high	97.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	15%	0.149	C	C	.	.			trans	-67.4	150.4	175.6	0	0	0	0	0	112.4	F7 V12 F29 V36	F7-A34 HydrophobicContact CB-CB 3.78Å; F7-A34 WeakPolarHBondContact O-CA 3.3Å; V12-A34 HydrophobicContact CB-CB 4.38Å; V12-A34 HydrophobicContact CG2-CB 3.68Å; F29-A34 HydrophobicContact CB-CB 3.88Å; F29-A34 VanDerWaalsContact O-CB 3.25Å; F29-A34 WeakPolarHBondContact O-CB 3.37Å; F29-A34 PolarHBondContact O-N 3.46Å; F29-A34 VanDerWaalsContact O-N 3.15Å; A34-V36 HydrophobicContact CB-CG2 3.96Å
35	L	98.9	Very high	97.2	Very high	35 Å²	35	28.3 Å²	28.3	18%	0.183	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.5	165.1	-56.5	175.7	0	0	0	107.9	R10 V11 V12 K68 F90	R10-L35 PolarHBondContact O-N 3.08Å; V11-L35 CarbonylContact C-O 3.57Å; V11-L35 WeakPolarHBondContact CA-O 3.31Å; V11-L35 HydrophobicContact CG2-CB 4.11Å; V11-L35 HydrophobicContact CG2-CD1 4.05Å; V12-L35 PolarHBondContact N-O 3.21Å; L35-K68 HydrophobicContact CD2-CB 3.69Å; L35-K68 HydrophobicContact CD2-CD 3.5Å; L35-K68 VanDerWaalsContact CD2-CD 3.5Å; L35-K68 HydrophobicContact CD2-CG 4.21Å; L35-F90 HydrophobicContact CB-CD1 4.03Å; L35-F90 HydrophobicContact CB-CD2 4Å; L35-F90 HydrophobicContact CB-CE1 4.09Å; L35-F90 HydrophobicContact CB-CE2 4.04Å; L35-F90 HydrophobicContact CB-CG 3.99Å; L35-F90 HydrophobicContact CB-CZ 4.09Å; L35-F90 HydrophobicContact CD1-CB 4.2Å; L35-F90 HydrophobicContact CD1-CD1 3.91Å; L35-F90 HydrophobicContact CD1-CG 4.12Å; L35-F90 HydrophobicContact CD2-CD1 4.47Å; L35-F90 HydrophobicContact CD2-CE1 4.32Å; L35-F90 HydrophobicContact CG-CD1 4.36Å
36	V	98.9	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	-166.2	-175.4	0	0	0	0	112.3	V12 A26 F29 A30 A34 V38 I62 K68 A69 V70	V12-V36 CarbonylContact O-C 3.45Å; V12-V36 WeakPolarHBondContact O-CA 3.38Å; A26-V36 HydrophobicContact CB-CG1 4.02Å; F29-V36 HydrophobicContact CB-CG2 4.13Å; A30-V36 HydrophobicContact CB-CG2 3.87Å; A34-V36 HydrophobicContact CB-CG2 3.96Å; V36-V38 HydrophobicContact CG1-CG2 3.99Å; V36-I62 HydrophobicContact CB-CD1 4.43Å; V36-I62 HydrophobicContact CG1-CD1 4.37Å; V36-K68 PolarHBondContact N-O 3.46Å; V36-A69 HydrophobicContact CB-CB 4.23Å; V36-A69 CarbonylContact O-C 3.5Å; V36-A69 WeakPolarHBondContact O-CA 3.44Å; V36-A69 WeakPolarHBondContact O-CB 3.36Å; V36-V70 PolarHBondContact O-N 3Å
37	V	98.9	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.7	164.4	-176	0	0	0	0	108.3	V11 V12 L13 V14 V70 T85 A86 F90	V11-V37 HydrophobicContact CG1-CG2 4.49Å; V12-V37 PolarHBondContact O-N 2.94Å; L13-V37 HydrophobicContact CB-CB 4.43Å; L13-V37 HydrophobicContact CD1-CB 3.74Å; L13-V37 HydrophobicContact CD1-CG1 3.6Å; V14-V37 PolarHBondContact N-O 2.8Å; V37-V70 WeakPolarHBondContact CA-O 3.23Å; V37-V70 HydrophobicContact CB-CG1 4.43Å; V37-V70 HydrophobicContact CG1-CG1 4.31Å; V37-V70 HydrophobicContact CG2-CG1 3.91Å; V37-T85 HydrophobicContact CG1-CG2 3.99Å; V37-A86 HydrophobicContact CG2-CB 3.7Å; V37-F90 HydrophobicContact CG2-CD2 4.1Å; V37-F90 HydrophobicContact CG2-CE2 3.96Å
38	V	98.9	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	96.5	178.6	-179.9	0	0	0	0	107.7	A17 A26 V36 A55 V58 V59 I62 A69 V70 A71 S72	A17-V38 HydrophobicContact CB-CB 4.43Å; A17-V38 HydrophobicContact CB-CG1 3.69Å; A26-V38 HydrophobicContact CB-CG2 4.3Å; V36-V38 HydrophobicContact CG1-CG2 3.99Å; V38-A55 HydrophobicContact CG1-CB 4.17Å; V38-V58 HydrophobicContact CG1-CB 3.95Å; V38-V58 HydrophobicContact CG1-CG1 4Å; V38-V58 HydrophobicContact CG2-CG1 4.18Å; V38-V59 HydrophobicContact CB-CG2 3.8Å; V38-V59 HydrophobicContact CG1-CG2 4.43Å; V38-V59 HydrophobicContact CG2-CG2 3.81Å; V38-I62 HydrophobicContact CG2-CD1 3.83Å; V38-A69 HydrophobicContact CG2-CB 4.29Å; V38-V70 PolarHBondContact N-O 3.37Å; V38-A71 WeakPolarHBondContact O-CA 3.43Å; V38-S72 PolarHBondContact O-N 2.86Å
39	N	98.8	Very high	95.7	Very high	3 Å²	3	39 Å²	39	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.4	175.8	167.6	-97.9	0	0	0	110.7	L13 V14 T15 G16 A17 S72 D74 V82	L13-N39 HydrophobicContact CD1-CB 4.04Å; V14-N39 PolarHBondContact O-N 2.89Å; T15-N39 CarbonylContact C-O 3.57Å; G16-N39 WeakPolarHBondContact CA-O 3.36Å; G16-N39 PolarHBondContact N-O 2.83Å; A17-N39 PolarHBondContact N-O 2.74Å; N39-S72 VanDerWaalsContact CA-O 3.29Å; N39-S72 WeakPolarHBondContact CA-O 3.29Å; N39-S72 PolarHBondContact ND2-O 2.91Å; N39-S72 PolarHBondContact ND2-OG 2.99Å; N39-S72 VanDerWaalsContact ND2-OG 3.13Å; N39-D74 PolarHBondContact ND2-O 2.9Å; N39-V82 HydrophobicContact CB-CG1 3.86Å
40	D	98.4	Very high	95.4	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.123	27%	0.266	C	S	.	.			trans	-155.6	131.9	169.4	-156.9	-73	0	0	0	110.9	G16 A17 G18 G42 A54 A55 S72	G16-D40 VanDerWaalsContact C-OD2 3.28Å; G16-D40 WeakPolarHBondContact CA-OD2 3.36Å; A17-D40 PolarHBondContact N-OD2 3.35Å; G18-D40 WeakPolarHBondContact CA-OD2 3.4Å; G18-D40 PolarHBondContact N-OD2 3.22Å; D40-G42 VanDerWaalsContact C-N 3.27Å; D40-G42 PolarHBondContact O-N 2.91Å; D40-G42 WeakPolarHBondContact OD1-CA 3.2Å; D40-G42 PolarHBondContact OD1-N 3.14Å; D40-A54 HydrophobicContact CB-CB 4.36Å; D40-A55 HydrophobicContact CB-CB 4.08Å; D40-S72 PolarHBondContact N-O 2.8Å
41	L	96.6	Very high	95.2	Very high	70 Å²	70	48.8 Å²	48.8	37%	0.366	28%	0.279	S	S	.	.			trans	-70.4	-24.4	177.4	-177.4	63.8	0	0	0	112.3	K50 G51	L41-K50 HydrophobicContact CD1-CB 4.12Å; L41-K50 HydrophobicContact CG-CB 4.33Å; L41-K50 CarbonylContact O-C 3.56Å; L41-K50 VanDerWaalsContact O-CA 3.28Å; L41-K50 WeakPolarHBondContact O-CA 3.48Å; L41-G51 PolarHBondContact O-N 3.24Å
42	G	93.8	Very high	95	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	26%	0.264	S	S	.	.			trans	76.5	18.9	-178.1	0	0	0	0	0	115.2	D40 G51	D40-G42 VanDerWaalsContact C-N 3.27Å; D40-G42 PolarHBondContact O-N 2.91Å; D40-G42 WeakPolarHBondContact OD1-CA 3.2Å; D40-G42 PolarHBondContact OD1-N 3.14Å; G42-G51 WeakPolarHBondContact CA-O 3.14Å
43	G	92.2	Very high	94.9	Very high	21 Å²	21	44.9 Å²	44.9	22%	0.216	27%	0.274	C	S	.	.			trans	-81.6	176	174.7	0	0	0	0	0	114.1	V48 G49 R199	G43-V48 WeakPolarHBondContact CA-O 3.4Å; G43-G49 WeakPolarHBondContact CA-O 3.26Å; G43-R199 PolarHBondContact O-NH2 3.32Å
44	D	90.6	Very high	94.8	Very high	58 Å²	58	45.1 Å²	45.1	31%	0.31	27%	0.273	S	S	.	.			trans	-74.7	170.8	169.7	76.8	9.1	0	0	0	112.4	K46 G47 V48 R199	D44-K46 PolarHBondContact O-N 3.41Å; D44-K46 VanDerWaalsContact O-N 3.12Å; D44-K46 VanDerWaalsContact OD1-C 3.28Å; D44-K46 VanDerWaalsContact OD1-CA 3.27Å; D44-K46 WeakPolarHBondContact OD1-CA 3.44Å; D44-K46 WeakPolarHBondContact OD1-CB 3.43Å; D44-K46 PolarHBondContact OD1-N 3.06Å; D44-G47 PolarHBondContact O-N 3.22Å; D44-G47 VanDerWaalsContact O-N 3.13Å; D44-G47 PolarHBondContact OD1-N 3.19Å; D44-V48 PolarHBondContact N-O 3.21Å; D44-V48 PolarHBondContact OD1-N 2.8Å; D44-R199 VanDerWaalsContact C-NH2 3.3Å
45	F	89.1	Confident	94.8	Very high	47 Å²	47	45 Å²	45	21%	0.206	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.3	-179.3	68.2	-83	0	0	0	113	I102 L103 R199 M200	F45-I102 CarbonylContact O-C 3.52Å; F45-I102 VanDerWaalsContact O-CA 3.26Å; F45-I102 WeakPolarHBondContact O-CA 3.31Å; F45-I102 WeakPolarHBondContact O-CB 3.37Å; F45-L103 PolarHBondContact O-N 3.03Å; F45-R199 HydrophobicContact CB-CG 4.42Å; F45-R199 HydrophobicContact CD1-CG 3.6Å; F45-R199 HydrophobicContact CE1-CG 4.06Å; F45-R199 HydrophobicContact CG-CG 4.14Å; F45-R199 VanDerWaalsContact N-CZ 3.34Å; F45-M200 HydrophobicContact CB-CG 3.87Å
46	K	89.8	Confident	94.8	Very high	100 Å²	100	45.5 Å²	45.5	44%	0.435	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-7.7	177.2	-86.9	177.4	-170.7	179.1	0	110.5	D44 R104	D44-K46 PolarHBondContact O-N 3.41Å; D44-K46 VanDerWaalsContact O-N 3.12Å; D44-K46 VanDerWaalsContact OD1-C 3.28Å; D44-K46 VanDerWaalsContact OD1-CA 3.27Å; D44-K46 WeakPolarHBondContact OD1-CA 3.44Å; D44-K46 WeakPolarHBondContact OD1-CB 3.43Å; D44-K46 PolarHBondContact OD1-N 3.06Å; K46-R104 PolarHBondContact O-NE 2.8Å; K46-R104 PolarHBondContact O-NH1 2.83Å; K46-R104 VanDerWaalsContact O-NH1 3.14Å; K46-R104 PolarHBondContact O-NH2 2.84Å
47	G	90	Very high	94.7	Very high	29 Å²	29	51.6 Å²	51.6	30%	0.299	30%	0.302	S	S	.	.	S	Bend	trans	85.5	26.3	-179.5	0	0	0	0	0	114	D44	D44-G47 PolarHBondContact O-N 3.22Å; D44-G47 VanDerWaalsContact O-N 3.13Å; D44-G47 PolarHBondContact OD1-N 3.19Å
48	V	90.3	Very high	94.7	Very high	81 Å²	81	51.8 Å²	51.8	49%	0.491	30%	0.303	S	S	.	.			trans	-112.7	137.7	176.5	-174.6	0	0	0	0	110.3	G43 D44	G43-V48 WeakPolarHBondContact CA-O 3.4Å; D44-V48 PolarHBondContact N-O 3.21Å; D44-V48 PolarHBondContact OD1-N 2.8Å
49	G	92.4	Very high	94.7	Very high	51 Å²	51	52 Å²	52	53%	0.526	30%	0.304	S	S	.	.			trans	88.6	170.8	176.2	0	0	0	0	0	114.2	G43	G43-G49 WeakPolarHBondContact CA-O 3.26Å
50	K	94.1	Very high	94.7	Very high	181 Å²	181	56 Å²	56	79%	0.787	32%	0.323	S	S	*	.			trans	-151.4	151.2	177.5	63.8	-179.6	-177.8	179.4	0	110	L41	L41-K50 HydrophobicContact CD1-CB 4.12Å; L41-K50 HydrophobicContact CG-CB 4.33Å; L41-K50 CarbonylContact O-C 3.56Å; L41-K50 VanDerWaalsContact O-CA 3.28Å; L41-K50 WeakPolarHBondContact O-CA 3.48Å
51	G	93.7	Very high	94.7	Very high	33 Å²	33	56.2 Å²	56.2	34%	0.34	32%	0.323	S	S	.	.			trans	-176.2	151.2	176.2	0	0	0	0	0	112.9	L41 G42	L41-G51 PolarHBondContact O-N 3.24Å; G42-G51 WeakPolarHBondContact CA-O 3.14Å
52	S	95.2	Very high	94.8	Very high	55 Å²	55	52.9 Å²	52.9	39%	0.385	31%	0.306	S	S	.	.	S	Bend	trans	-79.4	-27.7	-178	70.8	0	0	0	0	113.5	A54 A55 D56 Y73	S52-A54 PolarHBondContact O-N 3.3Å; S52-A55 PolarHBondContact O-N 3.24Å; S52-A55 VanDerWaalsContact O-N 3.14Å; S52-D56 VanDerWaalsContact C-OD2 3.28Å; S52-D56 WeakPolarHBondContact CB-OD2 3.49Å; S52-D56 VanDerWaalsContact O-CG 3.27Å; S52-D56 PolarHBondContact O-N 3.06Å; S52-D56 VanDerWaalsContact O-N 3.09Å; S52-D56 PolarHBondContact OG-OD2 3.35Å; S52-Y73 VanDerWaalsContact CB-CE1 3.46Å
53	L	95.9	Very high	95.1	Very high	105 Å²	105	57.6 Å²	57.6	55%	0.55	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-31.1	-166.3	-171.8	66.2	0	0	0	114	K57	L53-K57 HydrophobicContact CD1-CD 4.41Å; L53-K57 HydrophobicContact CD1-CG 4.22Å; L53-K57 HydrophobicContact CG-CD 4.1Å; L53-K57 HydrophobicContact CG-CG 4.34Å; L53-K57 WeakPolarHBondContact O-CB 3.4Å; L53-K57 VanDerWaalsContact O-CG 3.26Å; L53-K57 WeakPolarHBondContact O-CG 3.28Å; L53-K57 PolarHBondContact O-N 3.36Å; L53-K57 VanDerWaalsContact O-N 3.11Å
54	A	96.1	Very high	95.4	Very high	29 Å²	29	65.9 Å²	65.9	24%	0.24	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-49.4	-179.9	0	0	0	0	0	111.7	G18 D40 S52	G18-A54 WeakPolarHBondContact CA-O 3.49Å; D40-A54 HydrophobicContact CB-CB 4.36Å; S52-A54 PolarHBondContact O-N 3.3Å
55	A	98.1	Very high	95.7	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-43.3	176.4	0	0	0	0	0	111.4	V38 D40 S52 K57 V58 V59 A71 Y73	V38-A55 HydrophobicContact CG1-CB 4.17Å; D40-A55 HydrophobicContact CB-CB 4.08Å; S52-A55 PolarHBondContact O-N 3.24Å; S52-A55 VanDerWaalsContact O-N 3.14Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.98Å; A55-V58 PolarHBondContact O-N 3.39Å; A55-V58 VanDerWaalsContact O-N 3.13Å; A55-V59 PolarHBondContact O-N 2.99Å; A55-A71 HydrophobicContact CB-CB 3.92Å; A55-Y73 HydrophobicContact CB-CD1 4.19Å; A55-Y73 HydrophobicContact CB-CE1 4.1Å
56	D	98.3	Very high	96.1	Very high	44 Å²	44	72.2 Å²	72.2	24%	0.235	38%	0.381	C	S	.	.	H	α-helix	trans	-57	-44.8	-177.6	-65.9	-27.5	0	0	0	112.1	S52 V58 V59 E60 Y73	S52-D56 VanDerWaalsContact C-OD2 3.28Å; S52-D56 WeakPolarHBondContact CB-OD2 3.49Å; S52-D56 VanDerWaalsContact O-CG 3.27Å; S52-D56 PolarHBondContact O-N 3.06Å; S52-D56 VanDerWaalsContact O-N 3.09Å; S52-D56 PolarHBondContact OG-OD2 3.35Å; D56-V58 VanDerWaalsContact C-N 3.3Å; D56-V58 PolarHBondContact O-N 2.99Å; D56-V59 PolarHBondContact O-N 3.35Å; D56-E60 WeakPolarHBondContact O-CG 3.34Å; D56-E60 PolarHBondContact O-N 3.48Å; D56-Y73 VanDerWaalsContact OD1-CE1 3.27Å; D56-Y73 WeakPolarHBondContact OD1-CE1 3.44Å; D56-Y73 VanDerWaalsContact OD1-CZ 3.31Å; D56-Y73 PolarHBondContact OD1-OH 3.44Å
57	K	98.4	Very high	96.5	Very high	129 Å²	129	68.2 Å²	68.2	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-58.7	-40.5	179	-80	175.2	174.6	176.4	0	112.8	L53 A55 E61	L53-K57 HydrophobicContact CD1-CD 4.41Å; L53-K57 HydrophobicContact CD1-CG 4.22Å; L53-K57 HydrophobicContact CG-CD 4.1Å; L53-K57 HydrophobicContact CG-CG 4.34Å; L53-K57 WeakPolarHBondContact O-CB 3.4Å; L53-K57 VanDerWaalsContact O-CG 3.26Å; L53-K57 WeakPolarHBondContact O-CG 3.28Å; L53-K57 PolarHBondContact O-N 3.36Å; L53-K57 VanDerWaalsContact O-N 3.11Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.98Å; K57-E61 WeakPolarHBondContact O-CB 3.37Å; K57-E61 PolarHBondContact O-N 2.96Å
58	V	98.7	Very high	97	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-75.4	-37.8	-179	177.2	0	0	0	0	110.8	R23 A26 V38 A55 D56 E61 I62	R23-V58 HydrophobicContact CB-CG2 4.27Å; R23-V58 HydrophobicContact CG-CG1 4.15Å; R23-V58 HydrophobicContact CG-CG2 3.74Å; A26-V58 HydrophobicContact CB-CG1 4.26Å; V38-V58 HydrophobicContact CG1-CB 3.95Å; V38-V58 HydrophobicContact CG1-CG1 4Å; V38-V58 HydrophobicContact CG2-CG1 4.18Å; A55-V58 PolarHBondContact O-N 3.39Å; A55-V58 VanDerWaalsContact O-N 3.13Å; D56-V58 VanDerWaalsContact C-N 3.3Å; D56-V58 PolarHBondContact O-N 2.99Å; V58-E61 PolarHBondContact O-N 3.28Å; V58-I62 HydrophobicContact CG1-CD1 4.13Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.05Å
59	V	98.8	Very high	97.4	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-47.3	172.2	170.3	0	0	0	0	111.2	V38 A55 D56 E61 I62 R63 A69 A71	V38-V59 HydrophobicContact CB-CG2 3.8Å; V38-V59 HydrophobicContact CG1-CG2 4.43Å; V38-V59 HydrophobicContact CG2-CG2 3.81Å; A55-V59 PolarHBondContact O-N 2.99Å; D56-V59 PolarHBondContact O-N 3.35Å; V59-E61 VanDerWaalsContact C-N 3.31Å; V59-E61 PolarHBondContact O-N 3.36Å; V59-I62 PolarHBondContact O-N 2.73Å; V59-R63 HydrophobicContact CG1-CG 4.49Å; V59-R63 VanDerWaalsContact CG1-CZ 3.47Å; V59-R63 WeakPolarHBondContact O-CG 3.46Å; V59-R63 PolarHBondContact O-N 3.47Å; V59-A69 HydrophobicContact CB-CB 4.5Å; V59-A69 HydrophobicContact CG1-CB 4.25Å; V59-A69 HydrophobicContact CG2-CB 4.18Å; V59-A71 HydrophobicContact CG2-CB 3.94Å
60	E	98.6	Very high	97.7	Very high	88 Å²	88	69.6 Å²	69.6	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-32.5	177.6	-70.8	-51.2	133.8	0	0	112.7	D56 R63 R64	D56-E60 WeakPolarHBondContact O-CG 3.34Å; D56-E60 PolarHBondContact O-N 3.48Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NH1 2.75Å; E60-R63 PolarHBondContact OE1-NH1 3.48Å; E60-R64 WeakPolarHBondContact O-CB 3.35Å; E60-R64 VanDerWaalsContact O-CG 3.26Å; E60-R64 WeakPolarHBondContact O-CG 3.18Å; E60-R64 PolarHBondContact O-N 2.94Å; E60-R64 PolarHBondContact O-NE 2.78Å
61	E	98.6	Very high	97.9	Very high	27 Å²	27	61.7 Å²	61.7	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-44.5	170.7	-172	175.7	178.3	0	0	112.5	R23 L27 K57 V58 V59 R64 R65	R23-E61 IonicContact CZ-OE1 2.76Å; R23-E61 IonicContact CZ-OE2 3.43Å; R23-E61 VanDerWaalsContact CZ-OE2 3.27Å; R23-E61 IonicContact NE-OE2 3.35Å; R23-E61 PolarHBondContact NE-OE2 3.06Å; R23-E61 VanDerWaalsContact NE-OE2 3.1Å; R23-E61 IonicContact NH2-OE1 3.35Å; R23-E61 PolarHBondContact NH2-OE1 2.99Å; R23-E61 IonicContact NH2-OE2 2.75Å; R23-E61 PolarHBondContact NH2-OE2 3.5Å; L27-E61 HydrophobicContact CD2-CB 4.31Å; L27-E61 HydrophobicContact CD2-CG 3.83Å; K57-E61 WeakPolarHBondContact O-CB 3.37Å; K57-E61 PolarHBondContact O-N 2.96Å; V58-E61 PolarHBondContact O-N 3.28Å; V59-E61 VanDerWaalsContact C-N 3.31Å; V59-E61 PolarHBondContact O-N 3.36Å; E61-R64 PolarHBondContact O-N 2.87Å; E61-R65 WeakPolarHBondContact O-CG 3.42Å; E61-R65 PolarHBondContact O-N 3.05Å; E61-R65 VanDerWaalsContact O-N 3.15Å; E61-R65 IonicContact OE1-CZ 3.17Å; E61-R65 IonicContact OE1-NE 3.6Å; E61-R65 PolarHBondContact OE1-NE 3.32Å; E61-R65 IonicContact OE1-NH2 3.69Å; E61-R65 PolarHBondContact OE1-NH2 3.07Å
62	I	98.8	Very high	98.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-46.9	175.8	-72.6	167.9	0	0	0	110.5	A26 L27 A30 V36 V38 V58 V59 R64 R65 G66 G67 A69	A26-I62 HydrophobicContact CB-CD1 4.18Å; L27-I62 HydrophobicContact CD2-CG1 3.73Å; A30-I62 HydrophobicContact CB-CB 4.35Å; A30-I62 HydrophobicContact CB-CD1 4.18Å; A30-I62 HydrophobicContact CB-CG1 4Å; A30-I62 HydrophobicContact CB-CG2 3.48Å; A30-I62 VanDerWaalsContact CB-CG2 3.48Å; V36-I62 HydrophobicContact CB-CD1 4.43Å; V36-I62 HydrophobicContact CG1-CD1 4.37Å; V38-I62 HydrophobicContact CG2-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CD1 4.13Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.05Å; V59-I62 PolarHBondContact O-N 2.73Å; I62-R64 PolarHBondContact O-N 3.08Å; I62-R65 CarbonylContact O-C 3.58Å; I62-R65 PolarHBondContact O-N 3.26Å; I62-R65 VanDerWaalsContact O-N 3.11Å; I62-G66 PolarHBondContact O-N 3.45Å; I62-G67 PolarHBondContact O-N 3.42Å; I62-A69 HydrophobicContact CB-CB 4.07Å; I62-A69 HydrophobicContact CD1-CB 3.81Å; I62-A69 HydrophobicContact CG2-CB 3.75Å
63	R	98.6	Very high	98.3	Very high	123 Å²	123	62.7 Å²	62.7	46%	0.464	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-43.8	179.2	-73	172.6	179.5	172.6	-2.4	112	V59 E60 R65 G66 A69	V59-R63 HydrophobicContact CG1-CG 4.49Å; V59-R63 VanDerWaalsContact CG1-CZ 3.47Å; V59-R63 WeakPolarHBondContact O-CG 3.46Å; V59-R63 PolarHBondContact O-N 3.47Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NH1 2.75Å; E60-R63 PolarHBondContact OE1-NH1 3.48Å; R63-R65 PolarHBondContact O-N 2.96Å; R63-G66 PolarHBondContact O-N 3.25Å; R63-A69 PolarHBondContact NE-O 3.05Å; R63-A69 PolarHBondContact NH2-O 3.48Å; R63-A69 VanDerWaalsContact NH2-O 3.14Å
64	R	98.5	Very high	98.4	Very high	195 Å²	195	59.8 Å²	59.8	74%	0.736	29%	0.289	S	S	*	.	H	α-helix	trans	-61.4	-27.3	175.2	-77.1	-176.2	-63.4	170.8	2.4	113.3	E60 E61 I62 G66	E60-R64 WeakPolarHBondContact O-CB 3.35Å; E60-R64 VanDerWaalsContact O-CG 3.26Å; E60-R64 WeakPolarHBondContact O-CG 3.18Å; E60-R64 PolarHBondContact O-N 2.94Å; E60-R64 PolarHBondContact O-NE 2.78Å; E61-R64 PolarHBondContact O-N 2.87Å; I62-R64 PolarHBondContact O-N 3.08Å; R64-G66 VanDerWaalsContact C-N 3.29Å
65	R	98.1	Very high	98.5	Very high	167 Å²	167	59.3 Å²	59.3	63%	0.63	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	8.7	174.3	-64.2	174.8	-174.4	-123.5	6.5	113.2	E61 I62 R63 G67	E61-R65 WeakPolarHBondContact O-CG 3.42Å; E61-R65 PolarHBondContact O-N 3.05Å; E61-R65 VanDerWaalsContact O-N 3.15Å; E61-R65 IonicContact OE1-CZ 3.17Å; E61-R65 IonicContact OE1-NE 3.6Å; E61-R65 PolarHBondContact OE1-NE 3.32Å; E61-R65 IonicContact OE1-NH2 3.69Å; E61-R65 PolarHBondContact OE1-NH2 3.07Å; I62-R65 CarbonylContact O-C 3.58Å; I62-R65 PolarHBondContact O-N 3.26Å; I62-R65 VanDerWaalsContact O-N 3.11Å; R63-R65 PolarHBondContact O-N 2.96Å; R65-G67 VanDerWaalsContact C-N 3.33Å
66	G	97.9	Very high	98.5	Very high	71 Å²	71	59.7 Å²	59.7	73%	0.732	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	6.9	178.2	0	0	0	0	0	115.1	I62 R63 R64	I62-G66 PolarHBondContact O-N 3.45Å; R63-G66 PolarHBondContact O-N 3.25Å; R64-G66 VanDerWaalsContact C-N 3.29Å
67	G	98.3	Very high	98.5	Very high	17 Å²	17	60.5 Å²	60.5	18%	0.175	29%	0.289	C	S	.	.			trans	-84.3	173.4	175.8	0	0	0	0	0	113.1	I62 R65	I62-G67 PolarHBondContact O-N 3.42Å; R65-G67 VanDerWaalsContact C-N 3.33Å
68	K	98.7	Very high	98.5	Very high	143 Å²	143	58.3 Å²	58.3	62%	0.622	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.4	178.3	-67.7	178.4	179.3	-179.6	0	110.3	L35 V36	L35-K68 HydrophobicContact CD2-CB 3.69Å; L35-K68 HydrophobicContact CD2-CD 3.5Å; L35-K68 VanDerWaalsContact CD2-CD 3.5Å; L35-K68 HydrophobicContact CD2-CG 4.21Å; V36-K68 PolarHBondContact N-O 3.46Å
69	A	98.8	Very high	98.5	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.6	177.3	0	0	0	0	0	113.9	V36 V38 V59 I62 R63	V36-A69 HydrophobicContact CB-CB 4.23Å; V36-A69 CarbonylContact O-C 3.5Å; V36-A69 WeakPolarHBondContact O-CA 3.44Å; V36-A69 WeakPolarHBondContact O-CB 3.36Å; V38-A69 HydrophobicContact CG2-CB 4.29Å; V59-A69 HydrophobicContact CB-CB 4.5Å; V59-A69 HydrophobicContact CG1-CB 4.25Å; V59-A69 HydrophobicContact CG2-CB 4.18Å; I62-A69 HydrophobicContact CB-CB 4.07Å; I62-A69 HydrophobicContact CD1-CB 3.81Å; I62-A69 HydrophobicContact CG2-CB 3.75Å; R63-A69 PolarHBondContact NE-O 3.05Å; R63-A69 PolarHBondContact NH2-O 3.48Å; R63-A69 VanDerWaalsContact NH2-O 3.14Å
70	V	98.8	Very high	98.4	Very high	39 Å²	39	62.8 Å²	62.8	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.2	171.2	70.9	0	0	0	0	109.8	V36 V37 V38 T85 A89 F90	V36-V70 PolarHBondContact O-N 3Å; V37-V70 WeakPolarHBondContact CA-O 3.23Å; V37-V70 HydrophobicContact CB-CG1 4.43Å; V37-V70 HydrophobicContact CG1-CG1 4.31Å; V37-V70 HydrophobicContact CG2-CG1 3.91Å; V38-V70 PolarHBondContact N-O 3.37Å; V70-T85 HydrophobicContact CG1-CG2 3.91Å; V70-T85 HydrophobicContact CG2-CG2 4.46Å; V70-A89 HydrophobicContact CB-CB 4.34Å; V70-A89 HydrophobicContact CG1-CB 3.81Å; V70-A89 HydrophobicContact CG2-CB 4.49Å; V70-F90 HydrophobicContact CB-CZ 4.44Å; V70-F90 HydrophobicContact CG1-CE2 3.83Å; V70-F90 HydrophobicContact CG1-CZ 4.16Å
71	A	98.6	Very high	98.4	Very high	16 Å²	16	63.3 Å²	63.3	13%	0.132	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.7	178.5	0	0	0	0	0	111.4	V38 A55 V59 Y73	V38-A71 WeakPolarHBondContact O-CA 3.43Å; A55-A71 HydrophobicContact CB-CB 3.92Å; V59-A71 HydrophobicContact CG2-CB 3.94Å; A71-Y73 HydrophobicContact CB-CD1 4.39Å; A71-Y73 HydrophobicContact CB-CE1 3.54Å
72	S	98.4	Very high	98.4	Very high	2 Å²	2	62 Å²	62	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	164.4	166.5	0	0	0	0	108.4	V38 N39 D40	V38-S72 PolarHBondContact O-N 2.86Å; N39-S72 VanDerWaalsContact CA-O 3.29Å; N39-S72 WeakPolarHBondContact CA-O 3.29Å; N39-S72 PolarHBondContact ND2-O 2.91Å; N39-S72 PolarHBondContact ND2-OG 2.99Å; N39-S72 VanDerWaalsContact ND2-OG 3.13Å; D40-S72 PolarHBondContact N-O 2.8Å
73	Y	98.3	Very high	98.4	Very high	107 Å²	107	62 Å²	62	42%	0.42	30%	0.296	S	S	.	.			trans	-108.8	-3	-173.5	-45.6	-63.4	0	0	0	113.4	S52 A55 D56 A71	S52-Y73 VanDerWaalsContact CB-CE1 3.46Å; A55-Y73 HydrophobicContact CB-CD1 4.19Å; A55-Y73 HydrophobicContact CB-CE1 4.1Å; D56-Y73 VanDerWaalsContact OD1-CE1 3.27Å; D56-Y73 WeakPolarHBondContact OD1-CE1 3.44Å; D56-Y73 VanDerWaalsContact OD1-CZ 3.31Å; D56-Y73 PolarHBondContact OD1-OH 3.44Å; A71-Y73 HydrophobicContact CB-CD1 4.39Å; A71-Y73 HydrophobicContact CB-CE1 3.54Å
74	D	98.2	Very high	98.4	Very high	44 Å²	44	61.9 Å²	61.9	24%	0.235	30%	0.299	C	S	.	.	S	Bend	trans	-72.9	151	-176.5	-54	-81.9	0	0	0	111.3	N39 K81 V82	N39-D74 PolarHBondContact ND2-O 2.9Å; D74-K81 HydrophobicContact CB-CB 4.12Å; D74-K81 VanDerWaalsContact OD1-CD 3.31Å; D74-K81 WeakPolarHBondContact OD1-CD 3.46Å; D74-V82 HydrophobicContact CB-CG2 4.03Å
75	S	98.4	Very high	98.5	Very high	18 Å²	18	53.9 Å²	53.9	13%	0.126	27%	0.272	C	S	.	.			trans	-64.8	147.1	169.9	178.7	0	0	0	0	110	E77 E78	S75-E77 PolarHBondContact O-N 3.09Å; S75-E77 VanDerWaalsContact O-N 3.1Å; S75-E77 PolarHBondContact OG-N 2.94Å; S75-E78 WeakPolarHBondContact O-CA 3.47Å; S75-E78 PolarHBondContact O-N 3.34Å
76	V	98.6	Very high	98.5	Very high	8 Å²	8	46 Å²	46	5%	0.048	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61	-17.7	171.4	-67.5	0	0	0	0	113	T15 E78 G79 A100 V122 G126 V130	T15-V76 HydrophobicContact CG2-CG1 3.83Å; V76-E78 PolarHBondContact O-N 3.25Å; V76-G79 PolarHBondContact O-N 3.15Å; V76-A100 HydrophobicContact CG1-CB 3.68Å; V76-A100 HydrophobicContact CG2-CB 4.27Å; V76-V122 HydrophobicContact CG2-CG1 4.28Å; V76-V122 WeakPolarHBondContact CG2-O 3.36Å; V76-G126 WeakPolarHBondContact O-CA 3.33Å; V76-V130 HydrophobicContact CB-CG2 4.07Å; V76-V130 HydrophobicContact CG1-CG2 4.22Å
77	E	98.1	Very high	98.5	Very high	61 Å²	61	44.6 Å²	44.6	29%	0.285	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-64.1	-24.2	170.4	-63.7	-175.7	-97.3	0	0	112.9	S75 R121 R125	S75-E77 PolarHBondContact O-N 3.09Å; S75-E77 VanDerWaalsContact O-N 3.1Å; S75-E77 PolarHBondContact OG-N 2.94Å; E77-R121 HydrophobicContact CG-CB 4.47Å; E77-R121 WeakPolarHBondContact OE2-CB 3.22Å; E77-R121 WeakPolarHBondContact OE2-CD 3.45Å; E77-R121 IonicContact OE2-NE 3.92Å; E77-R125 IonicContact OE2-NH1 3.77Å
78	E	98.3	Very high	98.5	Very high	84 Å²	84	49.5 Å²	49.5	39%	0.393	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-103.1	44.7	176.5	-56.5	-174.8	-72.3	0	0	110.6	S75 V76 E80 K81 V82	S75-E78 WeakPolarHBondContact O-CA 3.47Å; S75-E78 PolarHBondContact O-N 3.34Å; V76-E78 PolarHBondContact O-N 3.25Å; E78-E80 PolarHBondContact O-N 2.99Å; E78-K81 HydrophobicContact CB-CD 4.12Å; E78-K81 HydrophobicContact CB-CG 4.4Å; E78-K81 WeakPolarHBondContact O-CB 3.31Å; E78-K81 PolarHBondContact O-N 2.88Å; E78-K81 IonicContact OE1-NZ 2.58Å; E78-K81 WeakPolarHBondContact OE2-CE 3.11Å; E78-K81 IonicContact OE2-NZ 3.08Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; E78-V82 PolarHBondContact O-N 3.11Å
79	G	98.3	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-51.7	-29.2	-170.1	0	0	0	0	0	116	V76 K81 V82 V83	V76-G79 PolarHBondContact O-N 3.15Å; G79-K81 PolarHBondContact O-N 3.49Å; G79-V82 PolarHBondContact O-N 3.4Å; G79-V83 PolarHBondContact O-N 2.8Å
80	E	98.4	Very high	98.5	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-41.5	172.9	-60	-62.2	157.8	0	0	112.5	E78 K84 R132 A133	E78-E80 PolarHBondContact O-N 2.99Å; E80-K84 WeakPolarHBondContact O-CB 3.45Å; E80-K84 PolarHBondContact O-N 3.27Å; E80-R132 IonicContact OE1-NE 3.83Å; E80-R132 IonicContact OE1-NH2 3.93Å; E80-A133 VanDerWaalsContact CD-CB 3.47Å; E80-A133 HydrophobicContact CG-CB 4.36Å; E80-A133 WeakPolarHBondContact OE2-CB 3.42Å
81	K	98.6	Very high	98.5	Very high	99 Å²	99	48.3 Å²	48.3	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-69.3	-38.9	177.6	-63.9	-177.5	-179.9	171.4	0	111.6	D74 E78 G79 K84 T85	D74-K81 HydrophobicContact CB-CB 4.12Å; D74-K81 VanDerWaalsContact OD1-CD 3.31Å; D74-K81 WeakPolarHBondContact OD1-CD 3.46Å; E78-K81 HydrophobicContact CB-CD 4.12Å; E78-K81 HydrophobicContact CB-CG 4.4Å; E78-K81 WeakPolarHBondContact O-CB 3.31Å; E78-K81 PolarHBondContact O-N 2.88Å; E78-K81 IonicContact OE1-NZ 2.58Å; E78-K81 WeakPolarHBondContact OE2-CE 3.11Å; E78-K81 IonicContact OE2-NZ 3.08Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; G79-K81 PolarHBondContact O-N 3.49Å; K81-K84 PolarHBondContact O-N 2.79Å; K81-T85 PolarHBondContact O-N 3.38Å; K81-T85 VanDerWaalsContact O-N 3.09Å; K81-T85 PolarHBondContact O-OG1 3.44Å
82	V	98.6	Very high	98.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-48.8	177.3	-175.8	0	0	0	0	110.3	L13 N39 D74 E78 G79 T85	L13-V82 HydrophobicContact CD1-CG1 3.64Å; L13-V82 HydrophobicContact CD2-CG1 3.78Å; L13-V82 HydrophobicContact CG-CG1 4.3Å; N39-V82 HydrophobicContact CB-CG1 3.86Å; D74-V82 HydrophobicContact CB-CG2 4.03Å; E78-V82 PolarHBondContact O-N 3.11Å; G79-V82 PolarHBondContact O-N 3.4Å; V82-T85 WeakPolarHBondContact O-CB 3.37Å; V82-T85 PolarHBondContact O-N 3.43Å
83	V	98.8	Very high	98.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-38	177.3	173.6	0	0	0	0	111.5	L13 G79 T85 A86 L87 I93 V130 A133 A134	L13-V83 HydrophobicContact CD2-CG2 4.08Å; G79-V83 PolarHBondContact O-N 2.8Å; V83-T85 PolarHBondContact O-N 3.11Å; V83-A86 WeakPolarHBondContact O-CA 3.49Å; V83-A86 VanDerWaalsContact O-CB 3.28Å; V83-A86 WeakPolarHBondContact O-CB 3.03Å; V83-A86 PolarHBondContact O-N 2.94Å; V83-L87 HydrophobicContact CG1-CD1 4.28Å; V83-L87 HydrophobicContact CG1-CG 4.36Å; V83-L87 PolarHBondContact O-N 2.75Å; V83-L87 VanDerWaalsContact O-N 3.16Å; V83-I93 HydrophobicContact CG1-CD1 4.02Å; V83-I93 HydrophobicContact CG1-CG2 4.38Å; V83-I93 HydrophobicContact CG2-CD1 4.1Å; V83-V130 HydrophobicContact CG2-CG1 4.23Å; V83-V130 WeakPolarHBondContact CG2-O 3.31Å; V83-A133 HydrophobicContact CB-CB 3.91Å; V83-A133 HydrophobicContact CG1-CB 4.43Å; V83-A133 HydrophobicContact CG2-CB 3.69Å; V83-A134 HydrophobicContact CG1-CB 4.41Å; V83-A134 HydrophobicContact CG2-CB 4.1Å
84	K	98.7	Very high	98.6	Very high	119 Å²	119	46.5 Å²	46.5	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-54.9	-38.4	175	176.8	169.3	-179.1	162.2	0	112.2	E80 K81 A86 L87 D88	E80-K84 WeakPolarHBondContact O-CB 3.45Å; E80-K84 PolarHBondContact O-N 3.27Å; K81-K84 PolarHBondContact O-N 2.79Å; K84-A86 VanDerWaalsContact C-N 3.26Å; K84-A86 PolarHBondContact O-N 2.75Å; K84-L87 PolarHBondContact O-N 3.17Å; K84-L87 VanDerWaalsContact O-N 3.09Å; K84-D88 WeakPolarHBondContact CE-OD2 3.47Å; K84-D88 VanDerWaalsContact CG-OD2 3.31Å; K84-D88 WeakPolarHBondContact CG-OD2 3.47Å; K84-D88 WeakPolarHBondContact O-CB 3.24Å; K84-D88 PolarHBondContact O-N 2.78Å
85	T	98.8	Very high	98.6	Very high	28 Å²	28	44.4 Å²	44.4	17%	0.172	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-40	174.2	-56.3	0	0	0	0	112.3	V37 V70 K81 V82 V83 A89	V37-T85 HydrophobicContact CG1-CG2 3.99Å; V70-T85 HydrophobicContact CG1-CG2 3.91Å; V70-T85 HydrophobicContact CG2-CG2 4.46Å; K81-T85 PolarHBondContact O-N 3.38Å; K81-T85 VanDerWaalsContact O-N 3.09Å; K81-T85 PolarHBondContact O-OG1 3.44Å; V82-T85 WeakPolarHBondContact O-CB 3.37Å; V82-T85 PolarHBondContact O-N 3.43Å; V83-T85 PolarHBondContact O-N 3.11Å; T85-A89 VanDerWaalsContact O-CB 3.24Å; T85-A89 WeakPolarHBondContact O-CB 3.25Å; T85-A89 PolarHBondContact O-N 2.89Å; T85-A89 VanDerWaalsContact O-N 3.1Å
86	A	98.7	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-42.7	176.1	0	0	0	0	0	112	V11 V37 V83 K84 F90 G91 I93	V11-A86 HydrophobicContact CG1-CB 4.05Å; V37-A86 HydrophobicContact CG2-CB 3.7Å; V83-A86 WeakPolarHBondContact O-CA 3.49Å; V83-A86 VanDerWaalsContact O-CB 3.28Å; V83-A86 WeakPolarHBondContact O-CB 3.03Å; V83-A86 PolarHBondContact O-N 2.94Å; K84-A86 VanDerWaalsContact C-N 3.26Å; K84-A86 PolarHBondContact O-N 2.75Å; A86-F90 WeakPolarHBondContact O-CA 3.34Å; A86-F90 PolarHBondContact O-N 3.3Å; A86-G91 PolarHBondContact O-N 3.35Å; A86-I93 HydrophobicContact CB-CB 4.4Å; A86-I93 HydrophobicContact CB-CD1 4.22Å
87	L	98.8	Very high	98.7	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-45.2	-179.8	-59.8	176.5	0	0	0	111.7	V83 K84 G91 I93 H137	V83-L87 HydrophobicContact CG1-CD1 4.28Å; V83-L87 HydrophobicContact CG1-CG 4.36Å; V83-L87 PolarHBondContact O-N 2.75Å; V83-L87 VanDerWaalsContact O-N 3.16Å; K84-L87 PolarHBondContact O-N 3.17Å; K84-L87 VanDerWaalsContact O-N 3.09Å; L87-G91 WeakPolarHBondContact O-CA 3.35Å; L87-G91 PolarHBondContact O-N 2.83Å; L87-I93 HydrophobicContact CD2-CG2 4.5Å; L87-H137 VanDerWaalsContact CD1-CE1 3.45Å; L87-H137 WeakPolarHBondContact CD1-CE1 3.17Å
88	D	98.8	Very high	98.7	Very high	120 Å²	120	40.4 Å²	40.4	64%	0.642	21%	0.214	S	C	*	.	H	α-helix	trans	-68.2	-38.9	-178.7	-69.3	-9.3	0	0	0	111.2	K84	K84-D88 WeakPolarHBondContact CE-OD2 3.47Å; K84-D88 VanDerWaalsContact CG-OD2 3.31Å; K84-D88 WeakPolarHBondContact CG-OD2 3.47Å; K84-D88 WeakPolarHBondContact O-CB 3.24Å; K84-D88 PolarHBondContact O-N 2.78Å
89	A	98.6	Very high	98.7	Very high	49 Å²	49	37.4 Å²	37.4	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-82.4	-36.8	-177.7	0	0	0	0	0	113.9	V70 T85	V70-A89 HydrophobicContact CB-CB 4.34Å; V70-A89 HydrophobicContact CG1-CB 3.81Å; V70-A89 HydrophobicContact CG2-CB 4.49Å; T85-A89 VanDerWaalsContact O-CB 3.24Å; T85-A89 WeakPolarHBondContact O-CB 3.25Å; T85-A89 PolarHBondContact O-N 2.89Å; T85-A89 VanDerWaalsContact O-N 3.1Å
90	F	98.7	Very high	98.7	Very high	51 Å²	51	38.2 Å²	38.2	22%	0.224	21%	0.207	C	C	.	.	H	α-helix	trans	-131.4	-2.5	-168.9	-54.6	-53.3	0	0	0	114.5	V11 L35 V37 V70 A86 R92	V11-F90 HydrophobicContact CB-CB 4.49Å; V11-F90 HydrophobicContact CG1-CB 4.2Å; V11-F90 HydrophobicContact CG1-CD2 3.8Å; V11-F90 HydrophobicContact CG1-CG 4.43Å; V11-F90 HydrophobicContact CG2-CB 3.44Å; V11-F90 VanDerWaalsContact CG2-CB 3.44Å; V11-F90 HydrophobicContact CG2-CD2 4.29Å; V11-F90 HydrophobicContact CG2-CG 4.13Å; L35-F90 HydrophobicContact CB-CD1 4.03Å; L35-F90 HydrophobicContact CB-CD2 4Å; L35-F90 HydrophobicContact CB-CE1 4.09Å; L35-F90 HydrophobicContact CB-CE2 4.04Å; L35-F90 HydrophobicContact CB-CG 3.99Å; L35-F90 HydrophobicContact CB-CZ 4.09Å; L35-F90 HydrophobicContact CD1-CB 4.2Å; L35-F90 HydrophobicContact CD1-CD1 3.91Å; L35-F90 HydrophobicContact CD1-CG 4.12Å; L35-F90 HydrophobicContact CD2-CD1 4.47Å; L35-F90 HydrophobicContact CD2-CE1 4.32Å; L35-F90 HydrophobicContact CG-CD1 4.36Å; V37-F90 HydrophobicContact CG2-CD2 4.1Å; V37-F90 HydrophobicContact CG2-CE2 3.96Å; V70-F90 HydrophobicContact CB-CZ 4.44Å; V70-F90 HydrophobicContact CG1-CE2 3.83Å; V70-F90 HydrophobicContact CG1-CZ 4.16Å; A86-F90 WeakPolarHBondContact O-CA 3.34Å; A86-F90 PolarHBondContact O-N 3.3Å; F90-R92 PolarHBondContact O-N 2.68Å
91	G	98.4	Very high	98.6	Very high	64 Å²	64	34.5 Å²	34.5	66%	0.66	20%	0.196	S	C	*	.	S	Bend	trans	76.2	-2.5	173	0	0	0	0	0	115.9	A86 L87	A86-G91 PolarHBondContact O-N 3.35Å; L87-G91 WeakPolarHBondContact O-CA 3.35Å; L87-G91 PolarHBondContact O-N 2.83Å
92	R	98.6	Very high	98.5	Very high	88 Å²	88	30.4 Å²	30.4	33%	0.332	18%	0.178	S	C	.	.			trans	-156.6	173.1	-177.1	67	-174	-68.8	149.8	3.5	111.8	V11 F90 D94	V11-R92 HydrophobicContact CB-CG 4.09Å; V11-R92 WeakPolarHBondContact CB-O 3.1Å; V11-R92 VanDerWaalsContact CG1-O 3.31Å; V11-R92 WeakPolarHBondContact CG1-O 3.49Å; V11-R92 HydrophobicContact CG2-CG 3.4Å; V11-R92 VanDerWaalsContact CG2-CG 3.4Å; F90-R92 PolarHBondContact O-N 2.68Å; R92-D94 IonicContact CZ-OD1 3.5Å; R92-D94 IonicContact CZ-OD2 2.9Å; R92-D94 IonicContact NE-OD1 3.33Å; R92-D94 PolarHBondContact NE-OD1 3.09Å; R92-D94 IonicContact NE-OD2 3.52Å; R92-D94 PolarHBondContact NE-OD2 3.48Å; R92-D94 IonicContact NH2-OD1 2.71Å; R92-D94 PolarHBondContact NH2-OD1 3.16Å; R92-D94 IonicContact NH2-OD2 3.73Å
93	I	98.8	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.			trans	-145.1	127.6	170.3	-171.5	163.2	0	0	0	109.1	L13 V83 A86 L87 V96 A134 H137 M138 Q141	L13-I93 HydrophobicContact CB-CD1 4Å; L13-I93 HydrophobicContact CD2-CD1 3.95Å; V83-I93 HydrophobicContact CG1-CD1 4.02Å; V83-I93 HydrophobicContact CG1-CG2 4.38Å; V83-I93 HydrophobicContact CG2-CD1 4.1Å; A86-I93 HydrophobicContact CB-CB 4.4Å; A86-I93 HydrophobicContact CB-CD1 4.22Å; L87-I93 HydrophobicContact CD2-CG2 4.5Å; I93-V96 HydrophobicContact CD1-CG2 3.7Å; I93-V96 HydrophobicContact CG1-CG2 4.15Å; I93-A134 HydrophobicContact CD1-CB 3.94Å; I93-A134 HydrophobicContact CG2-CB 4.1Å; I93-H137 HydrophobicContact CG2-CB 3.83Å; I93-M138 HydrophobicContact CG1-CE 4.46Å; I93-Q141 PolarHBondContact O-NE2 3.25Å; I93-Q141 VanDerWaalsContact O-NE2 3.14Å
94	D	98.9	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.			trans	-117	-38.2	-173.5	-68.7	-87.3	0	0	0	112.4	R10 V11 R92 Y143 G144 R145	R10-D94 HydrophobicContact CB-CB 4.27Å; R10-D94 IonicContact NH1-OD1 3.68Å; R10-D94 PolarHBondContact NH1-OD1 2.99Å; V11-D94 PolarHBondContact N-OD2 2.92Å; V11-D94 WeakPolarHBondContact O-CB 3.42Å; V11-D94 PolarHBondContact O-N 3.43Å; R92-D94 IonicContact CZ-OD1 3.5Å; R92-D94 IonicContact CZ-OD2 2.9Å; R92-D94 IonicContact NE-OD1 3.33Å; R92-D94 PolarHBondContact NE-OD1 3.09Å; R92-D94 IonicContact NE-OD2 3.52Å; R92-D94 PolarHBondContact NE-OD2 3.48Å; R92-D94 IonicContact NH2-OD1 2.71Å; R92-D94 PolarHBondContact NH2-OD1 3.16Å; R92-D94 IonicContact NH2-OD2 3.73Å; D94-Y143 HydrophobicContact CB-CD1 3.99Å; D94-Y143 HydrophobicContact CB-CE1 3.88Å; D94-Y143 WeakPolarHBondContact OD1-CD1 2.87Å; D94-G144 WeakPolarHBondContact O-CA 3.35Å; D94-R145 PolarHBondContact O-N 2.81Å
95	V	98.9	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.2	-176.2	-175.8	0	0	0	0	109.9	V11 V12 L13 F29 V97 R145 C226	V11-V95 PolarHBondContact O-N 2.93Å; V12-V95 HydrophobicContact CB-CB 4.22Å; V12-V95 HydrophobicContact CG1-CB 4Å; V12-V95 HydrophobicContact CG1-CG1 4.01Å; V12-V95 HydrophobicContact CG2-CB 3.92Å; V12-V95 HydrophobicContact CG2-CG2 3.99Å; L13-V95 PolarHBondContact N-O 2.85Å; F29-V95 HydrophobicContact CZ-CG1 4.47Å; V95-V97 HydrophobicContact CG1-CG2 4.09Å; V95-R145 CarbonylContact C-O 3.6Å; V95-R145 VanDerWaalsContact CA-O 3.25Å; V95-R145 WeakPolarHBondContact CA-O 3.21Å; V95-R145 HydrophobicContact CG1-CB 4.33Å; V95-R145 HydrophobicContact CG2-CB 4.17Å; V95-C226 HydrophobicContact CG1-CB 3.75Å; V95-C226 WeakPolarHBondContact CG1-SG 3.4Å; V95-C226 HydrophobicContact CG2-CB 4.33Å
96	V	98.9	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.9	172.4	175.2	0	0	0	0	109.2	L13 I93 V130 A134 M138 R145 I146 I147	L13-V96 HydrophobicContact CD2-CG2 4.45Å; I93-V96 HydrophobicContact CD1-CG2 3.7Å; I93-V96 HydrophobicContact CG1-CG2 4.15Å; V96-V130 HydrophobicContact CG1-CG1 3.83Å; V96-A134 HydrophobicContact CG2-CB 3.78Å; V96-M138 HydrophobicContact CB-CE 4.25Å; V96-M138 HydrophobicContact CG2-CE 3.57Å; V96-R145 PolarHBondContact N-O 3.48Å; V96-I146 CarbonylContact O-C 3.53Å; V96-I146 WeakPolarHBondContact O-CA 3.16Å; V96-I147 PolarHBondContact O-N 2.99Å
97	V	98.9	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.2	173.5	-176.2	0	0	0	0	108.6	L13 V14 T15 Y25 F29 V95 N99 I147 V222	L13-V97 PolarHBondContact O-N 3.1Å; V14-V97 HydrophobicContact CB-CB 4.49Å; V14-V97 HydrophobicContact CG1-CB 4.21Å; V14-V97 HydrophobicContact CG1-CG1 4.32Å; V14-V97 HydrophobicContact CG2-CB 4.25Å; V14-V97 HydrophobicContact CG2-CG2 4.39Å; T15-V97 PolarHBondContact N-O 3.05Å; T15-V97 VanDerWaalsContact N-O 3.09Å; T15-V97 PolarHBondContact OG1-O 3.08Å; Y25-V97 HydrophobicContact CD2-CG1 3.8Å; Y25-V97 HydrophobicContact CE2-CG1 4.14Å; F29-V97 HydrophobicContact CE2-CG2 4.09Å; V95-V97 HydrophobicContact CG1-CG2 4.09Å; V97-N99 HydrophobicContact CG1-CB 4.24Å; V97-N99 PolarHBondContact O-N 2.69Å; V97-N99 VanDerWaalsContact O-N 3.12Å; V97-I147 HydrophobicContact CG1-CB 4.21Å; V97-I147 HydrophobicContact CG1-CG2 4.36Å; V97-I147 HydrophobicContact CG2-CB 4.47Å; V97-I147 HydrophobicContact CG2-CG1 4.47Å; V97-V222 HydrophobicContact CG1-CG1 4.26Å; V97-V222 HydrophobicContact CG2-CG1 4.07Å
98	N	98.9	Very high	97.4	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	94.7	176.6	-64.4	-66.5	0	0	0	109.7	S127 T131 I147 M148 T149	N98-S127 WeakPolarHBondContact CB-OG 3.49Å; N98-T131 PolarHBondContact ND2-OG1 3.49Å; N98-I147 WeakPolarHBondContact CB-O 3.31Å; N98-I147 PolarHBondContact N-O 3.09Å; N98-M148 HydrophobicContact CB-SD 4.02Å; N98-M148 PolarHBondContact ND2-SD 3.14Å; N98-T149 VanDerWaalsContact O-CB 3.3Å; N98-T149 WeakPolarHBondContact O-CB 3.36Å; N98-T149 PolarHBondContact O-N 2.58Å; N98-T149 PolarHBondContact O-OG1 3.35Å
99	N	98.6	Very high	97.3	Very high	22 Å²	22	41.5 Å²	41.5	12%	0.118	24%	0.239	C	C	.	.			trans	-120.1	-20.2	-174.5	162.5	90.8	0	0	0	113.6	T15 G16 G22 Y25 V97 G101	T15-N99 CarbonylContact O-C 3.46Å; T15-N99 VanDerWaalsContact O-CB 3.28Å; T15-N99 WeakPolarHBondContact O-CB 3.34Å; T15-N99 PolarHBondContact O-ND2 3.32Å; T15-N99 PolarHBondContact OG1-N 3.13Å; G16-N99 PolarHBondContact O-ND2 3.19Å; G22-N99 WeakPolarHBondContact CA-ND2 3.16Å; G22-N99 PolarHBondContact N-ND2 3.5Å; Y25-N99 HydrophobicContact CE2-CB 4.4Å; V97-N99 HydrophobicContact CG1-CB 4.24Å; V97-N99 PolarHBondContact O-N 2.69Å; V97-N99 VanDerWaalsContact O-N 3.12Å; N99-G101 PolarHBondContact O-N 2.96Å
100	A	97.9	Very high	97.3	Very high	16 Å²	16	48.3 Å²	48.3	13%	0.132	25%	0.254	C	S	.	.			trans	-51.1	139	179.3	0	0	0	0	0	112.8	T15 V76	T15-A100 PolarHBondContact O-N 3.28Å; T15-A100 VanDerWaalsContact O-N 3.16Å; T15-A100 PolarHBondContact OG1-N 3.47Å; T15-A100 VanDerWaalsContact OG1-N 3.11Å; V76-A100 HydrophobicContact CG1-CB 3.68Å; V76-A100 HydrophobicContact CG2-CB 4.27Å
101	G	96.9	Very high	97.2	Very high	23 Å²	23	47.3 Å²	47.3	24%	0.237	25%	0.25	C	S	.	.			trans	-172.5	157.1	-174.6	0	0	0	0	0	114.8	N99 H123	N99-G101 PolarHBondContact O-N 2.96Å; G101-H123 WeakPolarHBondContact CA-CE1 3.28Å
102	I	96.6	Very high	97.2	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.067	24%	0.237	C	C	.	.			trans	-142.1	170.9	-179.2	59.3	167.9	0	0	0	109.9	F45 I118 I119 V122 H123	F45-I102 CarbonylContact O-C 3.52Å; F45-I102 VanDerWaalsContact O-CA 3.26Å; F45-I102 WeakPolarHBondContact O-CA 3.31Å; F45-I102 WeakPolarHBondContact O-CB 3.37Å; I102-I118 HydrophobicContact CD1-CB 4.4Å; I102-I118 HydrophobicContact CD1-CD1 3.83Å; I102-I118 HydrophobicContact CD1-CG1 3.72Å; I102-I118 HydrophobicContact CD1-CG2 4.03Å; I102-I119 HydrophobicContact CD1-CD1 4.44Å; I102-I119 HydrophobicContact CG1-CD1 3.95Å; I102-I119 WeakPolarHBondContact O-CD1 3.11Å; I102-V122 HydrophobicContact CD1-CB 4.36Å; I102-V122 HydrophobicContact CD1-CG2 3.97Å; I102-V122 HydrophobicContact CG1-CB 4.31Å; I102-V122 HydrophobicContact CG1-CG1 4.32Å; I102-V122 HydrophobicContact CG1-CG2 4.4Å; I102-H123 PolarHBondContact N-CE1 2.86Å; I102-H123 PolarHBondContact N-NE2 2.89Å; I102-H123 VanDerWaalsContact N-NE2 3.13Å; I102-H123 PolarHBondContact O-NE2 3.28Å
103	L	93.6	Very high	97.2	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.079	26%	0.256	C	S	.	.			trans	-126.9	139.1	176.6	-67.1	177.8	0	0	0	112.3	F45 Y164 M200	F45-L103 PolarHBondContact O-N 3.03Å; L103-Y164 HydrophobicContact CD2-CD2 3.77Å; L103-Y164 HydrophobicContact CD2-CE1 4.45Å; L103-Y164 HydrophobicContact CD2-CE2 3.68Å; L103-Y164 HydrophobicContact CD2-CG 4.19Å; L103-M200 HydrophobicContact CD1-CB 3.8Å; L103-M200 HydrophobicContact CD1-CG 4.13Å; L103-M200 WeakPolarHBondContact CD1-O 3.32Å; L103-M200 HydrophobicContact CG-CB 4.5Å; L103-M200 HydrophobicContact CG-CG 4.36Å; L103-M200 HydrophobicContact CG-SD 4.32Å
104	R	93.8	Very high	97.2	Very high	50 Å²	50	53.6 Å²	53.6	19%	0.189	28%	0.277	C	S	.	.			trans	-139	61.2	173.6	-71.1	-61.8	-165.6	-148.9	-0.8	109.6	K46 R106 D115 I118 I119 N163	K46-R104 PolarHBondContact O-NE 2.8Å; K46-R104 PolarHBondContact O-NH1 2.83Å; K46-R104 VanDerWaalsContact O-NH1 3.14Å; K46-R104 PolarHBondContact O-NH2 2.84Å; R104-R106 PolarHBondContact O-N 2.81Å; R104-D115 HydrophobicContact CB-CB 4.03Å; R104-D115 WeakPolarHBondContact CD-OD1 3.26Å; R104-D115 HydrophobicContact CG-CB 4.5Å; R104-D115 IonicContact NE-OD1 3.92Å; R104-I118 HydrophobicContact CG-CG2 3.77Å; R104-I119 HydrophobicContact CB-CD1 4.09Å; R104-I119 HydrophobicContact CB-CG1 3.9Å; R104-I119 HydrophobicContact CG-CD1 4.24Å; R104-I119 HydrophobicContact CG-CG1 4.13Å; R104-N163 PolarHBondContact O-ND2 3.03Å
105	D	93.2	Very high	97.1	Very high	48 Å²	48	54.6 Å²	54.6	26%	0.257	28%	0.282	S	S	.	.			trans	-72.6	123.3	-173.5	-61.6	-18.6	0	0	0	111.3	G160 Q161	D105-G160 CarbonylContact C-O 3.5Å; D105-G160 WeakPolarHBondContact CA-O 3.43Å; D105-Q161 WeakPolarHBondContact OD1-CG 3.38Å; D105-Q161 PolarHBondContact OD1-NE2 3.11Å; D105-Q161 PolarHBondContact OD2-NE2 2.83Å
106	R	93.8	Very high	97.1	Very high	128 Å²	128	59.2 Å²	59.2	48%	0.483	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-150.8	143.7	178.9	-65.2	-65.9	178	-106.7	6.5	109.1	R104 R110 I111 G160	R104-R106 PolarHBondContact O-N 2.81Å; R106-R110 HydrophobicContact CB-CB 4.36Å; R106-I111 HydrophobicContact CB-CG1 3.76Å; R106-G160 CarbonylContact C-O 3.18Å; R106-G160 PolarHBondContact N-O 3.37Å; R106-G160 CarbonylContact O-C 3.49Å; R106-G160 WeakPolarHBondContact O-CA 3.38Å
107	S	95.8	Very high	97.1	Very high	39 Å²	39	62.7 Å²	62.7	27%	0.273	32%	0.318	S	S	.	.			trans	-56.2	148.8	166.3	59.5	0	0	0	0	109.8	A109 R110 I111	S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 2.96Å; S107-A109 VanDerWaalsContact O-N 3.14Å; S107-R110 WeakPolarHBondContact O-CA 3.46Å; S107-R110 PolarHBondContact O-N 3.03Å; S107-I111 PolarHBondContact O-N 3.14Å
108	F	97.8	Very high	97	Very high	163 Å²	163	63.4 Å²	63.4	72%	0.715	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-50.2	-47.7	-166.9	-176.2	-109.6	0	0	0	113.8	R110 I111 A162	F108-R110 PolarHBondContact O-N 3.15Å; F108-R110 VanDerWaalsContact O-N 3.14Å; F108-I111 HydrophobicContact CD2-CD1 4.27Å; F108-I111 PolarHBondContact O-N 3.49Å; F108-A162 HydrophobicContact CD2-CB 3.7Å; F108-A162 HydrophobicContact CE2-CB 4.29Å
109	A	97.5	Very high	97	Very high	101 Å²	101	63.3 Å²	63.3	84%	0.835	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.7	-11.1	179.7	0	0	0	0	0	115.1	S107	S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 2.96Å; S107-A109 VanDerWaalsContact O-N 3.14Å
110	R	97.6	Very high	97	Very high	191 Å²	191	64 Å²	64	72%	0.721	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-110.4	4.6	-178.8	-61.9	-176.2	-177.1	174.6	0.3	112.9	R106 S107 F108 S112	R106-R110 HydrophobicContact CB-CB 4.36Å; S107-R110 WeakPolarHBondContact O-CA 3.46Å; S107-R110 PolarHBondContact O-N 3.03Å; F108-R110 PolarHBondContact O-N 3.15Å; F108-R110 VanDerWaalsContact O-N 3.14Å; R110-S112 PolarHBondContact O-N 3.13Å
111	I	98.1	Very high	97.1	Very high	30 Å²	30	66.5 Å²	66.5	15%	0.154	33%	0.33	C	S	.	.			trans	-72	116.2	171.2	-65	170.1	0	0	0	106.8	R106 S107 F108 D115 W116 A162 N163	R106-I111 HydrophobicContact CB-CG1 3.76Å; S107-I111 PolarHBondContact O-N 3.14Å; F108-I111 HydrophobicContact CD2-CD1 4.27Å; F108-I111 PolarHBondContact O-N 3.49Å; I111-D115 HydrophobicContact CG2-CB 4.02Å; I111-W116 HydrophobicContact CG2-CB 4.02Å; I111-A162 HydrophobicContact CD1-CB 3.83Å; I111-N163 HydrophobicContact CD1-CB 4.49Å
112	S	98.4	Very high	97.1	Very high	55 Å²	55	66.2 Å²	66.2	39%	0.385	32%	0.324	S	S	.	.			trans	-76	162.5	169.8	65.9	0	0	0	0	111	R110 E114 D115 W116	R110-S112 PolarHBondContact O-N 3.13Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-D115 PolarHBondContact N-OD2 3.37Å; S112-D115 WeakPolarHBondContact O-CB 3.28Å; S112-D115 PolarHBondContact O-N 3.43Å; S112-D115 VanDerWaalsContact O-N 3.11Å; S112-D115 PolarHBondContact OG-N 2.89Å; S112-D115 PolarHBondContact OG-OD2 2.65Å; S112-W116 PolarHBondContact O-N 3.42Å
113	D	98.5	Very high	97.2	Very high	137 Å²	137	65.7 Å²	65.7	73%	0.733	32%	0.321	S	S	*	.	H	α-helix	trans	-57.2	-38.8	175.5	-63.3	-33.4	0	0	0	111.6	W116 D117	D113-W116 WeakPolarHBondContact O-CB 3.41Å; D113-W116 PolarHBondContact O-N 3.31Å; D113-D117 WeakPolarHBondContact O-CB 3.11Å; D113-D117 VanDerWaalsContact O-CG 3.31Å; D113-D117 PolarHBondContact O-N 3.09Å
114	E	97.9	Very high	97.5	Very high	93 Å²	93	67.4 Å²	67.4	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-37.7	177	-179.2	56.5	-158.2	0	0	112.2	S112 W116 D117 I118 R121	S112-E114 PolarHBondContact O-N 3.44Å; E114-W116 PolarHBondContact O-N 3.29Å; E114-D117 PolarHBondContact O-N 3.49Å; E114-I118 WeakPolarHBondContact O-CB 3.46Å; E114-I118 WeakPolarHBondContact O-CG2 3.33Å; E114-I118 PolarHBondContact O-N 3.33Å; E114-R121 IonicContact OE1-CZ 2.82Å; E114-R121 IonicContact OE1-NH2 2.68Å; E114-R121 PolarHBondContact OE1-NH2 2.81Å; E114-R121 IonicContact OE2-CZ 3.27Å; E114-R121 IonicContact OE2-NH1 3.1Å; E114-R121 PolarHBondContact OE2-NH1 3.33Å; E114-R121 IonicContact OE2-NH2 3.85Å; E114-R121 PolarHBondContact OE2-NH2 3.1Å
115	D	97.8	Very high	97.7	Very high	20 Å²	20	70.6 Å²	70.6	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-35.2	172.9	-69.4	-49.3	0	0	0	111.5	R104 I111 S112 I119 N163	R104-D115 HydrophobicContact CB-CB 4.03Å; R104-D115 WeakPolarHBondContact CD-OD1 3.26Å; R104-D115 HydrophobicContact CG-CB 4.5Å; R104-D115 IonicContact NE-OD1 3.92Å; I111-D115 HydrophobicContact CG2-CB 4.02Å; S112-D115 PolarHBondContact N-OD2 3.37Å; S112-D115 WeakPolarHBondContact O-CB 3.28Å; S112-D115 PolarHBondContact O-N 3.43Å; S112-D115 VanDerWaalsContact O-N 3.11Å; S112-D115 PolarHBondContact OG-N 2.89Å; S112-D115 PolarHBondContact OG-OD2 2.65Å; D115-I119 WeakPolarHBondContact O-CG1 3.27Å; D115-N163 PolarHBondContact O-ND2 3.03Å
116	W	98.6	Very high	98	Very high	98 Å²	98	68.3 Å²	68.3	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-72.2	-54	175.8	178.1	-90.3	0	0	0	111.4	I111 S112 D113 E114 I119 H120 N163 A166	I111-W116 HydrophobicContact CG2-CB 4.02Å; S112-W116 PolarHBondContact O-N 3.42Å; D113-W116 WeakPolarHBondContact O-CB 3.41Å; D113-W116 PolarHBondContact O-N 3.31Å; E114-W116 PolarHBondContact O-N 3.29Å; W116-I119 PolarHBondContact O-N 3.12Å; W116-H120 AromaticContact CD1-ND1 3.83Å; W116-H120 AromaticContact CD2-CE1 3.55Å; W116-H120 AromaticContact CD2-ND1 3.84Å; W116-H120 AromaticContact CE2-CE1 3.17Å; W116-H120 AromaticContact CE2-ND1 3.59Å; W116-H120 AromaticContact CE2-NE2 3.83Å; W116-H120 AromaticContact CE3-CE1 3.95Å; W116-H120 AromaticContact CG-ND1 3.99Å; W116-H120 AromaticContact CH2-CE1 3.67Å; W116-H120 AromaticContact CZ2-CE1 3.25Å; W116-H120 WeakPolarHBondContact CZ2-CE1 3.33Å; W116-H120 AromaticContact CZ2-NE2 3.53Å; W116-H120 AromaticContact NE1-CE1 3.61Å; W116-H120 AromaticContact NE1-ND1 3.56Å; W116-H120 PolarHBondContact O-N 3.43Å; W116-H120 PolarHBondContact O-ND1 3.21Å; W116-N163 HydrophobicContact CD2-CB 4.43Å; W116-N163 HydrophobicContact CE3-CB 3.73Å; W116-N163 HydrophobicContact CZ3-CB 4.24Å; W116-A166 HydrophobicContact CH2-CB 3.95Å; W116-A166 HydrophobicContact CZ3-CB 4.48Å
117	D	98.6	Very high	98.2	Very high	72 Å²	72	62.5 Å²	62.5	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-44.2	-171.2	-74.6	-18	0	0	0	111.7	D113 E114 I119 H120 R121	D113-D117 WeakPolarHBondContact O-CB 3.11Å; D113-D117 VanDerWaalsContact O-CG 3.31Å; D113-D117 PolarHBondContact O-N 3.09Å; E114-D117 PolarHBondContact O-N 3.49Å; D117-I119 VanDerWaalsContact C-N 3.26Å; D117-I119 PolarHBondContact O-N 2.95Å; D117-H120 PolarHBondContact O-N 2.91Å; D117-H120 VanDerWaalsContact O-N 3.14Å; D117-R121 WeakPolarHBondContact O-CB 3.45Å; D117-R121 VanDerWaalsContact O-CG 3.26Å; D117-R121 WeakPolarHBondContact O-CG 3.3Å; D117-R121 PolarHBondContact O-N 2.78Å
118	I	98.2	Very high	98.4	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-37.3	-178.2	-159.3	179	0	0	0	111.7	I102 R104 E114 R121 V122	I102-I118 HydrophobicContact CD1-CB 4.4Å; I102-I118 HydrophobicContact CD1-CD1 3.83Å; I102-I118 HydrophobicContact CD1-CG1 3.72Å; I102-I118 HydrophobicContact CD1-CG2 4.03Å; R104-I118 HydrophobicContact CG-CG2 3.77Å; E114-I118 WeakPolarHBondContact O-CB 3.46Å; E114-I118 WeakPolarHBondContact O-CG2 3.33Å; E114-I118 PolarHBondContact O-N 3.33Å; I118-R121 PolarHBondContact O-N 3.27Å; I118-V122 HydrophobicContact CG1-CG2 4.44Å; I118-V122 WeakPolarHBondContact O-CB 3.41Å; I118-V122 WeakPolarHBondContact O-CG2 3.14Å; I118-V122 PolarHBondContact O-N 3.07Å
119	I	98.5	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176.7	-69.8	-73.1	0	0	0	110.2	I102 R104 D115 W116 D117 H123 N163 A167	I102-I119 HydrophobicContact CD1-CD1 4.44Å; I102-I119 HydrophobicContact CG1-CD1 3.95Å; I102-I119 WeakPolarHBondContact O-CD1 3.11Å; R104-I119 HydrophobicContact CB-CD1 4.09Å; R104-I119 HydrophobicContact CB-CG1 3.9Å; R104-I119 HydrophobicContact CG-CD1 4.24Å; R104-I119 HydrophobicContact CG-CG1 4.13Å; D115-I119 WeakPolarHBondContact O-CG1 3.27Å; W116-I119 PolarHBondContact O-N 3.12Å; D117-I119 VanDerWaalsContact C-N 3.26Å; D117-I119 PolarHBondContact O-N 2.95Å; I119-H123 VanDerWaalsContact O-CB 3.3Å; I119-H123 WeakPolarHBondContact O-CB 3.23Å; I119-H123 PolarHBondContact O-CD2 3.08Å; I119-H123 PolarHBondContact O-N 3.35Å; I119-N163 HydrophobicContact CB-CB 4.35Å; I119-N163 HydrophobicContact CG2-CB 4.23Å; I119-A167 HydrophobicContact CG2-CB 3.93Å
120	H	98.7	Very high	98.5	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.171	25%	0.245	C	C	.	.	I	π-helix	trans	-69	-39.5	177.9	-72.7	79.8	0	0	0	112.6	W116 D117 L124 R125	W116-H120 AromaticContact CD1-ND1 3.83Å; W116-H120 AromaticContact CD2-CE1 3.55Å; W116-H120 AromaticContact CD2-ND1 3.84Å; W116-H120 AromaticContact CE2-CE1 3.17Å; W116-H120 AromaticContact CE2-ND1 3.59Å; W116-H120 AromaticContact CE2-NE2 3.83Å; W116-H120 AromaticContact CE3-CE1 3.95Å; W116-H120 AromaticContact CG-ND1 3.99Å; W116-H120 AromaticContact CH2-CE1 3.67Å; W116-H120 AromaticContact CZ2-CE1 3.25Å; W116-H120 WeakPolarHBondContact CZ2-CE1 3.33Å; W116-H120 AromaticContact CZ2-NE2 3.53Å; W116-H120 AromaticContact NE1-CE1 3.61Å; W116-H120 AromaticContact NE1-ND1 3.56Å; W116-H120 PolarHBondContact O-N 3.43Å; W116-H120 PolarHBondContact O-ND1 3.21Å; D117-H120 PolarHBondContact O-N 2.91Å; D117-H120 VanDerWaalsContact O-N 3.14Å; H120-L124 PolarHBondContact O-N 2.99Å; H120-L124 VanDerWaalsContact O-N 3.09Å; H120-R125 PolarHBondContact O-N 2.92Å
121	R	98.6	Very high	98.6	Very high	68 Å²	68	44.2 Å²	44.2	26%	0.257	21%	0.211	S	C	.	.	I	π-helix	trans	-61.4	-47.7	178.5	-75.6	-169.7	-49.1	-108.9	2.3	111.5	E77 E114 D117 I118 G126	E77-R121 HydrophobicContact CG-CB 4.47Å; E77-R121 WeakPolarHBondContact OE2-CB 3.22Å; E77-R121 WeakPolarHBondContact OE2-CD 3.45Å; E77-R121 IonicContact OE2-NE 3.92Å; E114-R121 IonicContact OE1-CZ 2.82Å; E114-R121 IonicContact OE1-NH2 2.68Å; E114-R121 PolarHBondContact OE1-NH2 2.81Å; E114-R121 IonicContact OE2-CZ 3.27Å; E114-R121 IonicContact OE2-NH1 3.1Å; E114-R121 PolarHBondContact OE2-NH1 3.33Å; E114-R121 IonicContact OE2-NH2 3.85Å; E114-R121 PolarHBondContact OE2-NH2 3.1Å; D117-R121 WeakPolarHBondContact O-CB 3.45Å; D117-R121 VanDerWaalsContact O-CG 3.26Å; D117-R121 WeakPolarHBondContact O-CG 3.3Å; D117-R121 PolarHBondContact O-N 2.78Å; I118-R121 PolarHBondContact O-N 3.27Å; R121-G126 PolarHBondContact O-N 3Å
122	V	98.5	Very high	98.6	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	23%	0.225	C	C	.	.	I	π-helix	trans	-75.2	-50.6	-178.7	174.4	0	0	0	0	111.7	V76 I102 I118	V76-V122 HydrophobicContact CG2-CG1 4.28Å; V76-V122 WeakPolarHBondContact CG2-O 3.36Å; I102-V122 HydrophobicContact CD1-CB 4.36Å; I102-V122 HydrophobicContact CD1-CG2 3.97Å; I102-V122 HydrophobicContact CG1-CB 4.31Å; I102-V122 HydrophobicContact CG1-CG1 4.32Å; I102-V122 HydrophobicContact CG1-CG2 4.4Å; I118-V122 HydrophobicContact CG1-CG2 4.44Å; I118-V122 WeakPolarHBondContact O-CB 3.41Å; I118-V122 WeakPolarHBondContact O-CG2 3.14Å; I118-V122 PolarHBondContact O-N 3.07Å
123	H	98.7	Very high	98.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	21%	0.209	C	C	.	.	I	π-helix	trans	-78	-62.5	-172.5	-71	-80.8	0	0	0	112.7	G101 I102 I119 S127 Y164 A167 K168	G101-H123 WeakPolarHBondContact CA-CE1 3.28Å; I102-H123 PolarHBondContact N-CE1 2.86Å; I102-H123 PolarHBondContact N-NE2 2.89Å; I102-H123 VanDerWaalsContact N-NE2 3.13Å; I102-H123 PolarHBondContact O-NE2 3.28Å; I119-H123 VanDerWaalsContact O-CB 3.3Å; I119-H123 WeakPolarHBondContact O-CB 3.23Å; I119-H123 PolarHBondContact O-CD2 3.08Å; I119-H123 PolarHBondContact O-N 3.35Å; H123-S127 VanDerWaalsContact O-CB 3.28Å; H123-S127 WeakPolarHBondContact O-CB 3.41Å; H123-S127 PolarHBondContact O-N 2.76Å; H123-S127 PolarHBondContact O-OG 2.62Å; H123-Y164 AromaticContact CE1-CE2 3.6Å; H123-Y164 AromaticContact NE2-CD2 3.86Å; H123-Y164 AromaticContact NE2-CE2 3.71Å; H123-A167 HydrophobicContact CB-CB 4.05Å; H123-K168 WeakPolarHBondContact ND1-CE 3.21Å; H123-K168 PolarHBondContact ND1-NZ 3.02Å
124	L	98.8	Very high	98.7	Very high	50 Å²	50	39.5 Å²	39.5	26%	0.262	18%	0.175	S	C	.	.	I	π-helix	trans	-82.3	-55.5	-169.9	-178.5	57.1	0	0	0	111.4	H120 S127 F128 L171 L174	H120-L124 PolarHBondContact O-N 2.99Å; H120-L124 VanDerWaalsContact O-N 3.09Å; L124-S127 PolarHBondContact O-N 3.33Å; L124-F128 WeakPolarHBondContact O-CB 3.3Å; L124-F128 PolarHBondContact O-N 3.2Å; L124-L171 HydrophobicContact CD1-CD2 3.92Å; L124-L171 HydrophobicContact CD1-CG 4.17Å; L124-L174 HydrophobicContact CD1-CD2 4.47Å
125	R	98.8	Very high	98.7	Very high	117 Å²	117	36.6 Å²	36.6	44%	0.442	16%	0.16	S	C	.	.	I	π-helix	trans	-64.8	-41.8	-179.9	-175	179.9	-177.3	-95.2	-0.8	111.1	E77 H120 F128 Q129	E77-R125 IonicContact OE2-NH1 3.77Å; H120-R125 PolarHBondContact O-N 2.92Å; R125-F128 WeakPolarHBondContact O-CB 3.33Å; R125-F128 PolarHBondContact O-N 3.41Å; R125-Q129 HydrophobicContact CG-CG 4.32Å; R125-Q129 VanDerWaalsContact O-CG 3.25Å; R125-Q129 WeakPolarHBondContact O-CG 3.34Å; R125-Q129 PolarHBondContact O-N 3.45Å
126	G	98.8	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-49.8	176.6	0	0	0	0	0	112.6	V76 R121 F128 Q129 V130	V76-G126 WeakPolarHBondContact O-CA 3.33Å; R121-G126 PolarHBondContact O-N 3Å; G126-F128 VanDerWaalsContact C-N 3.28Å; G126-F128 PolarHBondContact O-N 2.87Å; G126-Q129 PolarHBondContact O-N 2.91Å; G126-Q129 VanDerWaalsContact O-N 3.15Å; G126-V130 WeakPolarHBondContact O-CG2 3.43Å; G126-V130 PolarHBondContact O-N 2.83Å
127	S	98.9	Very high	98.7	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-38.7	175.9	-57.9	0	0	0	0	112.3	N98 H123 L124 T131 L171	N98-S127 WeakPolarHBondContact CB-OG 3.49Å; H123-S127 VanDerWaalsContact O-CB 3.28Å; H123-S127 WeakPolarHBondContact O-CB 3.41Å; H123-S127 PolarHBondContact O-N 2.76Å; H123-S127 PolarHBondContact O-OG 2.62Å; L124-S127 PolarHBondContact O-N 3.33Å; S127-T131 WeakPolarHBondContact O-CB 3.46Å; S127-T131 PolarHBondContact O-N 3.28Å; S127-T131 PolarHBondContact O-OG1 3.42Å; S127-L171 VanDerWaalsContact CB-CD2 3.49Å; S127-L171 WeakPolarHBondContact OG-CD2 3.38Å
128	F	98.9	Very high	98.8	Very high	84 Å²	84	35 Å²	35	37%	0.368	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-49.6	172.4	160.4	-102.3	0	0	0	112.1	L124 R125 G126 T131 R132 L174	L124-F128 WeakPolarHBondContact O-CB 3.3Å; L124-F128 PolarHBondContact O-N 3.2Å; R125-F128 WeakPolarHBondContact O-CB 3.33Å; R125-F128 PolarHBondContact O-N 3.41Å; G126-F128 VanDerWaalsContact C-N 3.28Å; G126-F128 PolarHBondContact O-N 2.87Å; F128-T131 PolarHBondContact O-N 3.37Å; F128-R132 HydrophobicContact CE2-CB 4.41Å; F128-R132 WeakPolarHBondContact O-CB 3.45Å; F128-R132 PolarHBondContact O-N 3.02Å; F128-L174 HydrophobicContact CB-CD2 4.13Å
129	Q	98.9	Very high	98.8	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-48.9	-178.3	-67.8	-75	-19.4	0	0	111.3	R125 G126 R132 A133	R125-Q129 HydrophobicContact CG-CG 4.32Å; R125-Q129 VanDerWaalsContact O-CG 3.25Å; R125-Q129 WeakPolarHBondContact O-CG 3.34Å; R125-Q129 PolarHBondContact O-N 3.45Å; G126-Q129 PolarHBondContact O-N 2.91Å; G126-Q129 VanDerWaalsContact O-N 3.15Å; Q129-R132 PolarHBondContact O-N 2.95Å; Q129-A133 WeakPolarHBondContact O-CB 3.42Å; Q129-A133 PolarHBondContact O-N 3.28Å
130	V	98.9	Very high	98.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-46.6	179.6	176.2	0	0	0	0	111	L13 T15 V76 V83 V96 G126 A133 A134	L13-V130 HydrophobicContact CD2-CG1 3.68Å; T15-V130 HydrophobicContact CG2-CG1 4.21Å; T15-V130 HydrophobicContact CG2-CG2 4.33Å; V76-V130 HydrophobicContact CB-CG2 4.07Å; V76-V130 HydrophobicContact CG1-CG2 4.22Å; V83-V130 HydrophobicContact CG2-CG1 4.23Å; V83-V130 WeakPolarHBondContact CG2-O 3.31Å; V96-V130 HydrophobicContact CG1-CG1 3.83Å; G126-V130 WeakPolarHBondContact O-CG2 3.43Å; G126-V130 PolarHBondContact O-N 2.83Å; V130-A133 PolarHBondContact O-N 3.31Å; V130-A134 PolarHBondContact O-N 2.9Å; V130-A134 VanDerWaalsContact O-N 3.17Å
131	T	98.9	Very high	98.8	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-40.3	-179.2	-55.3	0	0	0	0	111.7	N98 S127 F128 A134 W135 I146 M148 L178	N98-T131 PolarHBondContact ND2-OG1 3.49Å; S127-T131 WeakPolarHBondContact O-CB 3.46Å; S127-T131 PolarHBondContact O-N 3.28Å; S127-T131 PolarHBondContact O-OG1 3.42Å; F128-T131 PolarHBondContact O-N 3.37Å; T131-A134 PolarHBondContact O-N 3.32Å; T131-W135 HydrophobicContact CG2-CE3 4.41Å; T131-W135 WeakPolarHBondContact O-CB 3.45Å; T131-W135 PolarHBondContact O-N 3.08Å; T131-I146 HydrophobicContact CG2-CD1 3.7Å; T131-I146 HydrophobicContact CG2-CG1 4.37Å; T131-I146 HydrophobicContact CG2-CG2 4.17Å; T131-M148 HydrophobicContact CG2-CE 4.32Å; T131-L178 HydrophobicContact CG2-CD1 3.83Å
132	R	98.9	Very high	98.8	Very high	115 Å²	115	50.9 Å²	50.9	43%	0.434	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-46.4	176.1	-174.5	-173	72.6	-167.2	-1.9	111.2	E80 F128 Q129 A134 W135	E80-R132 IonicContact OE1-NE 3.83Å; E80-R132 IonicContact OE1-NH2 3.93Å; F128-R132 HydrophobicContact CE2-CB 4.41Å; F128-R132 WeakPolarHBondContact O-CB 3.45Å; F128-R132 PolarHBondContact O-N 3.02Å; Q129-R132 PolarHBondContact O-N 2.95Å; R132-A134 PolarHBondContact O-N 3.04Å; R132-W135 WeakPolarHBondContact O-CB 3.28Å; R132-W135 PolarHBondContact O-N 3.34Å; R132-W135 VanDerWaalsContact O-N 3.16Å
133	A	98.9	Very high	98.8	Very high	7 Å²	7	50.6 Å²	50.6	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-35.2	177.6	0	0	0	0	0	112.4	E80 V83 Q129 V130 H137	E80-A133 VanDerWaalsContact CD-CB 3.47Å; E80-A133 HydrophobicContact CG-CB 4.36Å; E80-A133 WeakPolarHBondContact OE2-CB 3.42Å; V83-A133 HydrophobicContact CB-CB 3.91Å; V83-A133 HydrophobicContact CG1-CB 4.43Å; V83-A133 HydrophobicContact CG2-CB 3.69Å; Q129-A133 WeakPolarHBondContact O-CB 3.42Å; Q129-A133 PolarHBondContact O-N 3.28Å; V130-A133 PolarHBondContact O-N 3.31Å; A133-H137 PolarHBondContact O-CD2 3.35Å; A133-H137 VanDerWaalsContact O-CD2 3.31Å
134	A	98.9	Very high	98.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-80.8	-21.5	177.9	0	0	0	0	0	114.4	V83 I93 V96 V130 T131 R132 D136 H137 M138	V83-A134 HydrophobicContact CG1-CB 4.41Å; V83-A134 HydrophobicContact CG2-CB 4.1Å; I93-A134 HydrophobicContact CD1-CB 3.94Å; I93-A134 HydrophobicContact CG2-CB 4.1Å; V96-A134 HydrophobicContact CG2-CB 3.78Å; V130-A134 PolarHBondContact O-N 2.9Å; V130-A134 VanDerWaalsContact O-N 3.17Å; T131-A134 PolarHBondContact O-N 3.32Å; R132-A134 PolarHBondContact O-N 3.04Å; A134-D136 PolarHBondContact O-N 3.44Å; A134-H137 WeakPolarHBondContact O-CB 3.47Å; A134-H137 PolarHBondContact O-N 3.21Å; A134-M138 HydrophobicContact CB-CE 4.18Å; A134-M138 PolarHBondContact O-N 2.98Å; A134-M138 VanDerWaalsContact O-N 3.09Å
135	W	98.8	Very high	98.8	Very high	32 Å²	32	48.3 Å²	48.3	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-51.2	-163	-171.3	-104	0	0	0	114	T131 R132 H137 M138 K139 I146 L178 E181 I187	T131-W135 HydrophobicContact CG2-CE3 4.41Å; T131-W135 WeakPolarHBondContact O-CB 3.45Å; T131-W135 PolarHBondContact O-N 3.08Å; R132-W135 WeakPolarHBondContact O-CB 3.28Å; R132-W135 PolarHBondContact O-N 3.34Å; R132-W135 VanDerWaalsContact O-N 3.16Å; W135-H137 VanDerWaalsContact C-N 3.25Å; W135-H137 PolarHBondContact O-N 3.15Å; W135-M138 PolarHBondContact O-N 3.46Å; W135-K139 WeakPolarHBondContact O-CB 3.41Å; W135-K139 PolarHBondContact O-N 3.49Å; W135-I146 HydrophobicContact CE3-CD1 4.03Å; W135-I146 HydrophobicContact CZ3-CD1 3.74Å; W135-L178 HydrophobicContact CE3-CD2 4.22Å; W135-L178 HydrophobicContact CH2-CB 4.19Å; W135-L178 HydrophobicContact CH2-CD2 3.94Å; W135-L178 WeakPolarHBondContact CH2-O 3.32Å; W135-L178 HydrophobicContact CZ2-CD2 4.5Å; W135-L178 HydrophobicContact CZ3-CB 4.16Å; W135-L178 HydrophobicContact CZ3-CD2 3.78Å; W135-L178 HydrophobicContact CZ3-CG 4.44Å; W135-E181 HydrophobicContact CH2-CB 4.33Å; W135-E181 HydrophobicContact CZ2-CB 3.86Å; W135-I187 HydrophobicContact CE3-CG2 4.36Å; W135-I187 HydrophobicContact CH2-CD1 4.48Å; W135-I187 HydrophobicContact CH2-CG2 4.13Å; W135-I187 HydrophobicContact CZ2-CD1 4.48Å; W135-I187 HydrophobicContact CZ3-CG2 3.73Å
136	D	98.7	Very high	98.8	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	19%	0.191	S	C	.	.	H	α-helix	trans	-67.7	-29.1	-177.3	-80	-19.3	0	0	0	112.2	A134 K140	A134-D136 PolarHBondContact O-N 3.44Å; D136-K140 WeakPolarHBondContact O-CB 3.5Å; D136-K140 VanDerWaalsContact O-CG 3.23Å; D136-K140 WeakPolarHBondContact O-CG 3.42Å; D136-K140 PolarHBondContact O-N 3.06Å
137	H	98.8	Very high	98.8	Very high	64 Å²	64	42.8 Å²	42.8	30%	0.296	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-48	172.8	-61.3	-83.7	0	0	0	110.8	L87 I93 A133 A134 W135 K139 K140 Q141	L87-H137 VanDerWaalsContact CD1-CE1 3.45Å; L87-H137 WeakPolarHBondContact CD1-CE1 3.17Å; I93-H137 HydrophobicContact CG2-CB 3.83Å; A133-H137 PolarHBondContact O-CD2 3.35Å; A133-H137 VanDerWaalsContact O-CD2 3.31Å; A134-H137 WeakPolarHBondContact O-CB 3.47Å; A134-H137 PolarHBondContact O-N 3.21Å; W135-H137 VanDerWaalsContact C-N 3.25Å; W135-H137 PolarHBondContact O-N 3.15Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 3.31Å; H137-K140 PolarHBondContact O-N 3.44Å; H137-Q141 VanDerWaalsContact C-NE2 3.3Å; H137-Q141 WeakPolarHBondContact O-CB 3.25Å; H137-Q141 VanDerWaalsContact O-CG 3.22Å; H137-Q141 WeakPolarHBondContact O-CG 3.42Å; H137-Q141 PolarHBondContact O-N 3.4Å; H137-Q141 PolarHBondContact O-NE2 3.47Å
138	M	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-40.8	176.7	-69.3	-179.6	176.3	0	0	111.8	I93 V96 A134 W135 Q141 K142 Y143 I146 I187	I93-M138 HydrophobicContact CG1-CE 4.46Å; V96-M138 HydrophobicContact CB-CE 4.25Å; V96-M138 HydrophobicContact CG2-CE 3.57Å; A134-M138 HydrophobicContact CB-CE 4.18Å; A134-M138 PolarHBondContact O-N 2.98Å; A134-M138 VanDerWaalsContact O-N 3.09Å; W135-M138 PolarHBondContact O-N 3.46Å; M138-Q141 CarbonylContact O-C 3.54Å; M138-Q141 PolarHBondContact O-N 3.23Å; M138-K142 PolarHBondContact O-N 3.27Å; M138-Y143 WeakPolarHBondContact CA-O 3.31Å; M138-Y143 WeakPolarHBondContact CB-O 3.17Å; M138-Y143 PolarHBondContact O-N 2.95Å; M138-I146 HydrophobicContact CE-CG1 4.3Å; M138-I146 HydrophobicContact SD-CD1 4.14Å; M138-I146 HydrophobicContact SD-CG1 4.1Å; M138-I187 HydrophobicContact CB-CD1 3.71Å; M138-I187 HydrophobicContact CB-CG1 4.03Å; M138-I187 HydrophobicContact SD-CG2 4.29Å
139	K	98.6	Very high	98.8	Very high	105 Å²	105	38.8 Å²	38.8	46%	0.457	17%	0.173	S	C	.	.	H	α-helix	trans	-64	-42.2	179.4	-174	179.2	176.7	-177.9	0	112.3	W135 H137 K142 I187	W135-K139 WeakPolarHBondContact O-CB 3.41Å; W135-K139 PolarHBondContact O-N 3.49Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 3.31Å; K139-K142 PolarHBondContact O-N 3.22Å; K139-I187 HydrophobicContact CB-CD1 4.17Å
140	K	98.6	Very high	98.8	Very high	170 Å²	170	37.8 Å²	37.8	74%	0.739	17%	0.169	S	C	*	.	H	α-helix	trans	-64.2	-40	173.6	-74.1	171	-175	175	0	111.6	D136 H137 K142	D136-K140 WeakPolarHBondContact O-CB 3.5Å; D136-K140 VanDerWaalsContact O-CG 3.23Å; D136-K140 WeakPolarHBondContact O-CG 3.42Å; D136-K140 PolarHBondContact O-N 3.06Å; H137-K140 PolarHBondContact O-N 3.44Å; K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 3.04Å
141	Q	98.3	Very high	98.7	Very high	61 Å²	61	38.2 Å²	38.2	29%	0.285	17%	0.172	S	C	.	.	H	α-helix	trans	-75	-14.1	179.2	-70.5	169.9	72	0	0	114.2	I93 H137 M138 Y143	I93-Q141 PolarHBondContact O-NE2 3.25Å; I93-Q141 VanDerWaalsContact O-NE2 3.14Å; H137-Q141 VanDerWaalsContact C-NE2 3.3Å; H137-Q141 WeakPolarHBondContact O-CB 3.25Å; H137-Q141 VanDerWaalsContact O-CG 3.22Å; H137-Q141 WeakPolarHBondContact O-CG 3.42Å; H137-Q141 PolarHBondContact O-N 3.4Å; H137-Q141 PolarHBondContact O-NE2 3.47Å; M138-Q141 CarbonylContact O-C 3.54Å; M138-Q141 PolarHBondContact O-N 3.23Å; Q141-Y143 PolarHBondContact O-N 3.08Å
142	K	98.6	Very high	98.5	Very high	117 Å²	117	39.2 Å²	39.2	51%	0.509	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	36.4	-171.9	-59.2	-65.9	-178.8	179.8	0	112.7	M138 K139 K140 S185 N186	M138-K142 PolarHBondContact O-N 3.27Å; K139-K142 PolarHBondContact O-N 3.22Å; K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 3.04Å; K142-S185 CarbonylContact C-O 3.5Å; K142-S185 VanDerWaalsContact CA-O 3.3Å; K142-S185 WeakPolarHBondContact CA-O 3.31Å; K142-S185 PolarHBondContact NZ-OG 3.26Å; K142-N186 WeakPolarHBondContact O-CB 3.12Å; K142-N186 PolarHBondContact O-ND2 2.9Å
143	Y	98.8	Very high	98.2	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.047	17%	0.166	C	C	.	.			trans	-156	132.3	176.4	-175.4	-89.7	0	0	0	109.7	D94 M138 Q141 R145 S185 C226 E228	D94-Y143 HydrophobicContact CB-CD1 3.99Å; D94-Y143 HydrophobicContact CB-CE1 3.88Å; D94-Y143 WeakPolarHBondContact OD1-CD1 2.87Å; M138-Y143 WeakPolarHBondContact CA-O 3.31Å; M138-Y143 WeakPolarHBondContact CB-O 3.17Å; M138-Y143 PolarHBondContact O-N 2.95Å; Q141-Y143 PolarHBondContact O-N 3.08Å; Y143-R145 HydrophobicContact CE1-CG 4.22Å; Y143-S185 PolarHBondContact N-O 2.82Å; Y143-C226 PolarHBondContact OH-O 2.94Å; Y143-E228 HydrophobicContact CE2-CB 3.7Å; Y143-E228 WeakPolarHBondContact OH-CA 3.47Å; Y143-E228 PolarHBondContact OH-N 3.14Å
144	G	98.9	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	145.1	170.2	0	0	0	0	0	112	D94 N186 I187 H188	D94-G144 WeakPolarHBondContact O-CA 3.35Å; G144-N186 PolarHBondContact N-O 2.68Å; G144-I187 VanDerWaalsContact O-CA 3.32Å; G144-I187 WeakPolarHBondContact O-CA 3.48Å; G144-H188 PolarHBondContact O-N 2.75Å
145	R	98.9	Very high	98.1	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.9	171.4	-59.1	-75.2	-177.3	-92.5	8.3	109.4	D94 V95 V96 Y143 N186 H188 C226 H227 E228 C230	D94-R145 PolarHBondContact O-N 2.81Å; V95-R145 CarbonylContact C-O 3.6Å; V95-R145 VanDerWaalsContact CA-O 3.25Å; V95-R145 WeakPolarHBondContact CA-O 3.21Å; V95-R145 HydrophobicContact CG1-CB 4.33Å; V95-R145 HydrophobicContact CG2-CB 4.17Å; V96-R145 PolarHBondContact N-O 3.48Å; Y143-R145 HydrophobicContact CE1-CG 4.22Å; R145-N186 PolarHBondContact NH1-O 2.84Å; R145-N186 PolarHBondContact NH1-OD1 3.19Å; R145-N186 VanDerWaalsContact NH1-OD1 3.08Å; R145-N186 PolarHBondContact NH2-OD1 2.91Å; R145-H188 CarbonylContact C-O 3.52Å; R145-H188 WeakPolarHBondContact CA-O 3.43Å; R145-C226 HydrophobicContact CB-CB 4.15Å; R145-C226 WeakPolarHBondContact CG-O 3.42Å; R145-H227 PolarHBondContact NE-O 2.88Å; R145-H227 VanDerWaalsContact NE-O 3.16Å; R145-E228 PolarHBondContact NH2-O 3.1Å; R145-C230 PolarHBondContact NH2-O 3.21Å
146	I	98.9	Very high	98	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	-173.7	-60	158.9	0	0	0	108.7	V96 T131 W135 M138 M148 I187 H188 C189 N190	V96-I146 CarbonylContact O-C 3.53Å; V96-I146 WeakPolarHBondContact O-CA 3.16Å; T131-I146 HydrophobicContact CG2-CD1 3.7Å; T131-I146 HydrophobicContact CG2-CG1 4.37Å; T131-I146 HydrophobicContact CG2-CG2 4.17Å; W135-I146 HydrophobicContact CE3-CD1 4.03Å; W135-I146 HydrophobicContact CZ3-CD1 3.74Å; M138-I146 HydrophobicContact CE-CG1 4.3Å; M138-I146 HydrophobicContact SD-CD1 4.14Å; M138-I146 HydrophobicContact SD-CG1 4.1Å; I146-M148 HydrophobicContact CG2-CE 3.91Å; I146-M148 HydrophobicContact CG2-SD 4.44Å; I146-I187 HydrophobicContact CD1-CG2 3.69Å; I146-H188 PolarHBondContact N-O 3.01Å; I146-C189 HydrophobicContact CB-CB 4.22Å; I146-C189 WeakPolarHBondContact O-CA 3.33Å; I146-N190 PolarHBondContact O-N 3.23Å
147	I	98.9	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.7	172.3	-60.5	-64.4	0	0	0	109.4	V96 V97 N98 N190 I192 V222 L225 C226	V96-I147 PolarHBondContact O-N 2.99Å; V97-I147 HydrophobicContact CG1-CB 4.21Å; V97-I147 HydrophobicContact CG1-CG2 4.36Å; V97-I147 HydrophobicContact CG2-CB 4.47Å; V97-I147 HydrophobicContact CG2-CG1 4.47Å; N98-I147 WeakPolarHBondContact CB-O 3.31Å; N98-I147 PolarHBondContact N-O 3.09Å; I147-N190 WeakPolarHBondContact CA-O 3.32Å; I147-N190 HydrophobicContact CD1-CB 4.11Å; I147-I192 HydrophobicContact CG2-CD1 4.18Å; I147-I192 HydrophobicContact CG2-CG1 3.94Å; I147-I192 HydrophobicContact CG2-CG2 4.47Å; I147-V222 HydrophobicContact CG1-CG1 4.35Å; I147-L225 HydrophobicContact CD1-CB 3.7Å; I147-L225 HydrophobicContact CD1-CD1 4Å; I147-C226 WeakPolarHBondContact CG1-SG 3.46Å
148	M	98.9	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.6	167.8	-62.2	-57.2	-175.9	0	0	109.7	N98 T131 I146 S150 L171 L174 A175 L178 N190 T191 I192	N98-M148 HydrophobicContact CB-SD 4.02Å; N98-M148 PolarHBondContact ND2-SD 3.14Å; T131-M148 HydrophobicContact CG2-CE 4.32Å; I146-M148 HydrophobicContact CG2-CE 3.91Å; I146-M148 HydrophobicContact CG2-SD 4.44Å; M148-S150 PolarHBondContact O-N 3.31Å; M148-L171 HydrophobicContact CB-CB 4.39Å; M148-L171 HydrophobicContact SD-CD2 4.21Å; M148-L174 HydrophobicContact CE-CD2 3.86Å; M148-L174 HydrophobicContact CE-CG 4.19Å; M148-A175 HydrophobicContact CB-CB 4.37Å; M148-A175 HydrophobicContact CG-CB 3.88Å; M148-L178 HydrophobicContact CE-CD1 3.61Å; M148-N190 PolarHBondContact N-O 3.16Å; M148-T191 HydrophobicContact CB-CG2 4.33Å; M148-T191 WeakPolarHBondContact O-CA 3.4Å; M148-I192 PolarHBondContact O-N 3.23Å
149	T	98.7	Very high	97.2	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	94	179.1	-52.6	0	0	0	0	110.3	N98 K168 L171 I192 P194	N98-T149 VanDerWaalsContact O-CB 3.3Å; N98-T149 WeakPolarHBondContact O-CB 3.36Å; N98-T149 PolarHBondContact O-N 2.58Å; N98-T149 PolarHBondContact O-OG1 3.35Å; T149-K168 VanDerWaalsContact O-CD 3.27Å; T149-K168 WeakPolarHBondContact O-CD 3.27Å; T149-K168 PolarHBondContact O-NZ 3.33Å; T149-L171 WeakPolarHBondContact O-CD1 3.5Å; T149-I192 HydrophobicContact CG2-CG1 4.45Å; T149-P194 HydrophobicContact CG2-CG 3.84Å
150	S	98.3	Very high	96.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	23%	0.228	C	C	.	.			trans	-79.2	-156.4	168.9	-164.6	0	0	0	0	110.8	M148 K168 T191 I192	M148-S150 PolarHBondContact O-N 3.31Å; S150-K168 WeakPolarHBondContact CB-O 3.41Å; S150-K168 PolarHBondContact OG-O 2.94Å; S150-T191 VanDerWaalsContact CB-CG2 3.5Å; S150-I192 CarbonylContact C-O 3.48Å; S150-I192 WeakPolarHBondContact CA-O 3.43Å; S150-I192 PolarHBondContact N-O 3.35Å
151	S	96.8	Very high	96.9	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.063	20%	0.196	C	C	.	.			trans	-161	160.4	174.5	68.6	0	0	0	0	111.3	S153 G154 I155 Y164	S151-S153 PolarHBondContact O-N 3.05Å; S151-S153 PolarHBondContact OG-N 3.38Å; S151-G154 PolarHBondContact O-N 3.4Å; S151-G154 PolarHBondContact OG-N 3.45Å; S151-I155 WeakPolarHBondContact O-CG1 3.41Å; S151-I155 PolarHBondContact O-N 3.49Å; S151-I155 VanDerWaalsContact O-N 3.13Å; S151-Y164 WeakPolarHBondContact OG-CE1 3.47Å
152	A	94.8	Very high	96.8	Very high	24 Å²	24	36.6 Å²	36.6	20%	0.198	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-37	169	0	0	0	0	0	111.7	G154 I155 Y156	A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 3.28Å; A152-I155 PolarHBondContact O-N 2.86Å; A152-I155 VanDerWaalsContact O-N 3.13Å; A152-Y156 HydrophobicContact CB-CD2 4.11Å; A152-Y156 HydrophobicContact CB-CE2 4.38Å; A152-Y156 WeakPolarHBondContact O-CD2 3.41Å; A152-Y156 PolarHBondContact O-N 3.35Å
153	S	94.2	Very high	96.8	Very high	20 Å²	20	31 Å²	31	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-37.6	173.1	-47.8	0	0	0	0	112.4	S151 G157 Q161 S165	S151-S153 PolarHBondContact O-N 3.05Å; S151-S153 PolarHBondContact OG-N 3.38Å; S153-G157 CarbonylContact O-C 3.6Å; S153-G157 WeakPolarHBondContact O-CA 3.27Å; S153-G157 PolarHBondContact O-N 2.99Å; S153-Q161 PolarHBondContact OG-OE1 3.26Å; S153-S165 VanDerWaalsContact O-CB 3.3Å; S153-S165 WeakPolarHBondContact O-CB 3.22Å; S153-S165 PolarHBondContact O-OG 2.98Å; S153-S165 VanDerWaalsContact O-OG 3.06Å
154	G	96	Very high	96.8	Very high	6 Å²	6	31.9 Å²	31.9	6%	0.062	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-39.9	174.6	0	0	0	0	0	112.9	S151 A152	S151-G154 PolarHBondContact O-N 3.4Å; S151-G154 PolarHBondContact OG-N 3.45Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 3.28Å
155	I	97.8	Very high	96.7	Very high	42 Å²	42	32.6 Å²	32.6	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-75.2	-45.7	-176	-61.5	161.4	0	0	0	111.6	S151 A152 A193 L236 E238 L247	S151-I155 WeakPolarHBondContact O-CG1 3.41Å; S151-I155 PolarHBondContact O-N 3.49Å; S151-I155 VanDerWaalsContact O-N 3.13Å; A152-I155 PolarHBondContact O-N 2.86Å; A152-I155 VanDerWaalsContact O-N 3.13Å; I155-A193 HydrophobicContact CD1-CB 3.57Å; I155-L236 HydrophobicContact CD1-CD1 4.31Å; I155-L236 HydrophobicContact CD1-CD2 4.23Å; I155-L236 HydrophobicContact CG1-CD2 4.41Å; I155-E238 HydrophobicContact CD1-CG 4.36Å; I155-L247 HydrophobicContact CD1-CD2 4.03Å; I155-L247 HydrophobicContact CG2-CD2 3.99Å
156	Y	96.8	Very high	96.7	Very high	146 Å²	146	34.4 Å²	34.4	57%	0.573	20%	0.196	S	C	*	.	H	α-helix	trans	-109.4	-11.3	-169.6	-54.2	-60.6	0	0	0	113.7	A152 E238 L247	A152-Y156 HydrophobicContact CB-CD2 4.11Å; A152-Y156 HydrophobicContact CB-CE2 4.38Å; A152-Y156 WeakPolarHBondContact O-CD2 3.41Å; A152-Y156 PolarHBondContact O-N 3.35Å; Y156-E238 WeakPolarHBondContact CE2-OE1 3.28Å; Y156-E238 PolarHBondContact OH-OE2 2.93Å; Y156-L247 WeakPolarHBondContact OH-CD2 3.42Å
157	G	94.4	Very high	96.7	Very high	45 Å²	45	34.3 Å²	34.3	46%	0.464	20%	0.195	S	C	.	.			trans	80.9	152.3	-167.3	0	0	0	0	0	112.2	S153	S153-G157 CarbonylContact O-C 3.6Å; S153-G157 WeakPolarHBondContact O-CA 3.27Å; S153-G157 PolarHBondContact O-N 2.99Å
158	N	92.8	Very high	96.7	Very high	87 Å²	87	34.7 Å²	34.7	47%	0.465	20%	0.197	S	C	.	.			trans	-147.3	143.1	169.4	-169.9	28.8	0	0	0	110.8	G160 Q161	N158-G160 PolarHBondContact O-N 3.24Å; N158-Q161 HydrophobicContact CB-CB 4.36Å; N158-Q161 HydrophobicContact CB-CG 4.47Å; N158-Q161 PolarHBondContact ND2-OE1 3.32Å; N158-Q161 PolarHBondContact O-N 3.09Å
159	F	93.1	Very high	96.6	Very high	183 Å²	183	38.2 Å²	38.2	80%	0.803	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	133.8	-178.7	-178.7	-90.4	0	0	0	110.8	Q161	F159-Q161 VanDerWaalsContact C-N 3.29Å; F159-Q161 PolarHBondContact O-N 3.29Å
160	G	93.4	Very high	96.6	Very high	14 Å²	14	39.1 Å²	39.1	14%	0.144	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	10.5	177.9	0	0	0	0	0	115.5	D105 R106 N158	D105-G160 CarbonylContact C-O 3.5Å; D105-G160 WeakPolarHBondContact CA-O 3.43Å; R106-G160 CarbonylContact C-O 3.18Å; R106-G160 PolarHBondContact N-O 3.37Å; R106-G160 CarbonylContact O-C 3.49Å; R106-G160 WeakPolarHBondContact O-CA 3.38Å; N158-G160 PolarHBondContact O-N 3.24Å
161	Q	96.6	Very high	96.7	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.075	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-128.1	35.7	-175.3	-61.2	-157.6	-62.4	0	0	113.1	D105 S153 N158 F159 N163 Y164 S165	D105-Q161 WeakPolarHBondContact OD1-CG 3.38Å; D105-Q161 PolarHBondContact OD1-NE2 3.11Å; D105-Q161 PolarHBondContact OD2-NE2 2.83Å; S153-Q161 PolarHBondContact OG-OE1 3.26Å; N158-Q161 HydrophobicContact CB-CB 4.36Å; N158-Q161 HydrophobicContact CB-CG 4.47Å; N158-Q161 PolarHBondContact ND2-OE1 3.32Å; N158-Q161 PolarHBondContact O-N 3.09Å; F159-Q161 VanDerWaalsContact C-N 3.29Å; F159-Q161 PolarHBondContact O-N 3.29Å; Q161-N163 PolarHBondContact O-N 3.08Å; Q161-Y164 PolarHBondContact O-N 3.03Å; Q161-S165 VanDerWaalsContact O-CB 3.24Å; Q161-S165 WeakPolarHBondContact O-CB 3.26Å; Q161-S165 PolarHBondContact O-N 2.87Å; Q161-S165 PolarHBondContact O-OG 2.87Å
162	A	97.9	Very high	96.8	Very high	35 Å²	35	39.3 Å²	39.3	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-44.4	-175.6	0	0	0	0	0	112.9	F108 I111 A166	F108-A162 HydrophobicContact CD2-CB 3.7Å; F108-A162 HydrophobicContact CE2-CB 4.29Å; I111-A162 HydrophobicContact CD1-CB 3.83Å; A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.31Å; A162-A166 PolarHBondContact O-N 3.17Å
163	N	98.1	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-49.2	173.1	52.2	-5.6	0	0	0	112.1	R104 I111 D115 W116 I119 Q161 A167	R104-N163 PolarHBondContact O-ND2 3.03Å; I111-N163 HydrophobicContact CD1-CB 4.49Å; D115-N163 PolarHBondContact O-ND2 3.03Å; W116-N163 HydrophobicContact CD2-CB 4.43Å; W116-N163 HydrophobicContact CE3-CB 3.73Å; W116-N163 HydrophobicContact CZ3-CB 4.24Å; I119-N163 HydrophobicContact CB-CB 4.35Å; I119-N163 HydrophobicContact CG2-CB 4.23Å; Q161-N163 PolarHBondContact O-N 3.08Å; N163-A167 PolarHBondContact O-N 2.81Å; N163-A167 VanDerWaalsContact O-N 3.08Å
164	Y	97.8	Very high	97.2	Very high	29 Å²	29	40.8 Å²	40.8	11%	0.114	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-45.5	-179	-177	-103.3	0	0	0	112	L103 H123 S151 Q161 A166 A167 K168	L103-Y164 HydrophobicContact CD2-CD2 3.77Å; L103-Y164 HydrophobicContact CD2-CE1 4.45Å; L103-Y164 HydrophobicContact CD2-CE2 3.68Å; L103-Y164 HydrophobicContact CD2-CG 4.19Å; H123-Y164 AromaticContact CE1-CE2 3.6Å; H123-Y164 AromaticContact NE2-CD2 3.86Å; H123-Y164 AromaticContact NE2-CE2 3.71Å; S151-Y164 WeakPolarHBondContact OG-CE1 3.47Å; Q161-Y164 PolarHBondContact O-N 3.03Å; Y164-A166 VanDerWaalsContact C-N 3.35Å; Y164-A166 PolarHBondContact O-N 3.4Å; Y164-A167 PolarHBondContact O-N 3.43Å; Y164-K168 HydrophobicContact CD1-CG 4.03Å; Y164-K168 HydrophobicContact CD2-CG 4.25Å; Y164-K168 HydrophobicContact CE1-CG 3.8Å; Y164-K168 HydrophobicContact CE2-CD 4.26Å; Y164-K168 HydrophobicContact CE2-CG 4.02Å; Y164-K168 HydrophobicContact CG-CG 4.27Å; Y164-K168 WeakPolarHBondContact O-CB 3.47Å; Y164-K168 WeakPolarHBondContact O-CG 3.34Å; Y164-K168 PolarHBondContact O-N 2.83Å; Y164-K168 WeakPolarHBondContact OH-CE 3.37Å
165	S	97.9	Very high	97.3	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-42.6	179.1	-53.3	0	0	0	0	111.1	S153 Q161 K168 L169	S153-S165 VanDerWaalsContact O-CB 3.3Å; S153-S165 WeakPolarHBondContact O-CB 3.22Å; S153-S165 PolarHBondContact O-OG 2.98Å; S153-S165 VanDerWaalsContact O-OG 3.06Å; Q161-S165 VanDerWaalsContact O-CB 3.24Å; Q161-S165 WeakPolarHBondContact O-CB 3.26Å; Q161-S165 PolarHBondContact O-N 2.87Å; Q161-S165 PolarHBondContact O-OG 2.87Å; S165-K168 PolarHBondContact O-N 2.9Å; S165-L169 WeakPolarHBondContact O-CB 3.49Å; S165-L169 PolarHBondContact O-N 2.91Å
166	A	98.6	Very high	97.3	Very high	41 Å²	41	41.7 Å²	41.7	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-49	174.7	0	0	0	0	0	112	W116 A162 Y164 K168 G170	W116-A166 HydrophobicContact CH2-CB 3.95Å; W116-A166 HydrophobicContact CZ3-CB 4.48Å; A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.31Å; A162-A166 PolarHBondContact O-N 3.17Å; Y164-A166 VanDerWaalsContact C-N 3.35Å; Y164-A166 PolarHBondContact O-N 3.4Å; A166-K168 PolarHBondContact O-N 2.93Å; A166-G170 PolarHBondContact O-N 3.2Å
167	A	98.6	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-42	177.7	0	0	0	0	0	112.4	I119 H123 N163 Y164 G170 L171	I119-A167 HydrophobicContact CG2-CB 3.93Å; H123-A167 HydrophobicContact CB-CB 4.05Å; N163-A167 PolarHBondContact O-N 2.81Å; N163-A167 VanDerWaalsContact O-N 3.08Å; Y164-A167 PolarHBondContact O-N 3.43Å; A167-G170 PolarHBondContact O-N 3.07Å; A167-L171 WeakPolarHBondContact O-CG 3.36Å; A167-L171 PolarHBondContact O-N 3.39Å; A167-L171 VanDerWaalsContact O-N 3.08Å
168	K	98.4	Very high	97.6	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-36	-177.8	-70.2	-59.6	-167.6	172.6	0	113.4	H123 T149 S150 Y164 S165 A166 L171	H123-K168 WeakPolarHBondContact ND1-CE 3.21Å; H123-K168 PolarHBondContact ND1-NZ 3.02Å; T149-K168 VanDerWaalsContact O-CD 3.27Å; T149-K168 WeakPolarHBondContact O-CD 3.27Å; T149-K168 PolarHBondContact O-NZ 3.33Å; S150-K168 WeakPolarHBondContact CB-O 3.41Å; S150-K168 PolarHBondContact OG-O 2.94Å; Y164-K168 HydrophobicContact CD1-CG 4.03Å; Y164-K168 HydrophobicContact CD2-CG 4.25Å; Y164-K168 HydrophobicContact CE1-CG 3.8Å; Y164-K168 HydrophobicContact CE2-CD 4.26Å; Y164-K168 HydrophobicContact CE2-CG 4.02Å; Y164-K168 HydrophobicContact CG-CG 4.27Å; Y164-K168 WeakPolarHBondContact O-CB 3.47Å; Y164-K168 WeakPolarHBondContact O-CG 3.34Å; Y164-K168 PolarHBondContact O-N 2.83Å; Y164-K168 WeakPolarHBondContact OH-CE 3.37Å; S165-K168 PolarHBondContact O-N 2.9Å; A166-K168 PolarHBondContact O-N 2.93Å; K168-L171 HydrophobicContact CD-CD1 4.07Å
169	L	98.4	Very high	97.9	Very high	75 Å²	75	32.5 Å²	32.5	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-77	-31.1	172.1	-164.2	64.3	0	0	0	111.6	S165 L171 L172 G173	S165-L169 WeakPolarHBondContact O-CB 3.49Å; S165-L169 PolarHBondContact O-N 2.91Å; L169-L171 PolarHBondContact O-N 3.04Å; L169-L172 HydrophobicContact CD1-CB 4.43Å; L169-L172 HydrophobicContact CD1-CD2 3.86Å; L169-L172 WeakPolarHBondContact O-CB 3.32Å; L169-L172 PolarHBondContact O-N 3.01Å; L169-G173 PolarHBondContact O-N 3.13Å; L169-G173 VanDerWaalsContact O-N 3.14Å
170	G	98.8	Very high	98.1	Very high	26 Å²	26	29.3 Å²	29.3	27%	0.268	19%	0.188	S	C	.	.	H	α-helix	trans	-57.7	-35.6	170.4	0	0	0	0	0	113	A166 A167 L172 G173 L174	A166-G170 PolarHBondContact O-N 3.2Å; A167-G170 PolarHBondContact O-N 3.07Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.05Å; G170-G173 PolarHBondContact O-N 3.32Å; G170-L174 PolarHBondContact O-N 2.56Å
171	L	98.8	Very high	98.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-36.9	173.4	-74	171.5	0	0	0	113	L124 S127 M148 T149 A167 K168 L169 L174 A175	L124-L171 HydrophobicContact CD1-CD2 3.92Å; L124-L171 HydrophobicContact CD1-CG 4.17Å; S127-L171 VanDerWaalsContact CB-CD2 3.49Å; S127-L171 WeakPolarHBondContact OG-CD2 3.38Å; M148-L171 HydrophobicContact CB-CB 4.39Å; M148-L171 HydrophobicContact SD-CD2 4.21Å; T149-L171 WeakPolarHBondContact O-CD1 3.5Å; A167-L171 WeakPolarHBondContact O-CG 3.36Å; A167-L171 PolarHBondContact O-N 3.39Å; A167-L171 VanDerWaalsContact O-N 3.08Å; K168-L171 HydrophobicContact CD-CD1 4.07Å; L169-L171 PolarHBondContact O-N 3.04Å; L171-L174 PolarHBondContact O-N 3.09Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.19Å
172	L	98.8	Very high	98.5	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-43.4	173.4	174.8	63	0	0	0	110.7	L169 G170 L174 A175 N176 T191 L236	L169-L172 HydrophobicContact CD1-CB 4.43Å; L169-L172 HydrophobicContact CD1-CD2 3.86Å; L169-L172 WeakPolarHBondContact O-CB 3.32Å; L169-L172 PolarHBondContact O-N 3.01Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.05Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 3.28Å; L172-A175 PolarHBondContact O-N 3.43Å; L172-N176 PolarHBondContact O-N 2.91Å; L172-N176 PolarHBondContact O-ND2 3.47Å; L172-N176 PolarHBondContact O-OD1 3.28Å; L172-T191 HydrophobicContact CB-CG2 4.48Å; L172-T191 HydrophobicContact CD1-CG2 4.3Å; L172-L236 HydrophobicContact CD1-CB 4.26Å; L172-L236 HydrophobicContact CD1-CD1 4.3Å; L172-L236 HydrophobicContact CD1-CD2 4.37Å; L172-L236 HydrophobicContact CD2-CD2 3.84Å
173	G	98.6	Very high	98.4	Very high	37 Å²	37	40.4 Å²	40.4	38%	0.381	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-42.7	174.8	0	0	0	0	0	113	L169 G170	L169-G173 PolarHBondContact O-N 3.13Å; L169-G173 VanDerWaalsContact O-N 3.14Å; G170-G173 PolarHBondContact O-N 3.32Å
174	L	98.8	Very high	98.3	Very high	39 Å²	39	50 Å²	50	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-49	173.3	177.9	61.3	0	0	0	111.4	L124 F128 M148 G170 L171 L172 N176 S177 L178	L124-L174 HydrophobicContact CD1-CD2 4.47Å; F128-L174 HydrophobicContact CB-CD2 4.13Å; M148-L174 HydrophobicContact CE-CD2 3.86Å; M148-L174 HydrophobicContact CE-CG 4.19Å; G170-L174 PolarHBondContact O-N 2.56Å; L171-L174 PolarHBondContact O-N 3.09Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 3.28Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-S177 PolarHBondContact O-N 3.13Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.19Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 WeakPolarHBondContact O-CG 3.39Å; L174-L178 PolarHBondContact O-N 3.33Å; L174-L178 VanDerWaalsContact O-N 3.11Å
175	A	98.8	Very high	98.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-41.4	179.6	0	0	0	0	0	112.7	M148 L171 L172 S177 L178 A179 T191	M148-A175 HydrophobicContact CB-CB 4.37Å; M148-A175 HydrophobicContact CG-CB 3.88Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.19Å; L172-A175 PolarHBondContact O-N 3.43Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 3.24Å; A175-L178 PolarHBondContact O-N 3.11Å; A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.18Å; A175-T191 VanDerWaalsContact CB-OG1 3.23Å; A175-T191 WeakPolarHBondContact CB-OG1 3.49Å
176	N	98.6	Very high	98.4	Very high	65 Å²	65	51.3 Å²	51.3	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-42.6	178.9	-69.6	-18.8	0	0	0	112	L172 L174 I180	L172-N176 PolarHBondContact O-N 2.91Å; L172-N176 PolarHBondContact O-ND2 3.47Å; L172-N176 PolarHBondContact O-OD1 3.28Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.84Å; N176-I180 WeakPolarHBondContact O-CG1 3.45Å
177	S	98.6	Very high	98.4	Very high	62 Å²	62	49.4 Å²	49.4	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-45	179.3	-56.7	0	0	0	0	111.3	L174 A175 A179 I180 E181	L174-S177 PolarHBondContact O-N 3.13Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 3.24Å; S177-A179 VanDerWaalsContact C-N 3.31Å; S177-A179 PolarHBondContact O-N 2.95Å; S177-I180 WeakPolarHBondContact O-CB 3.45Å; S177-I180 PolarHBondContact O-N 3.35Å; S177-E181 PolarHBondContact O-N 3.33Å
178	L	98.8	Very high	98.4	Very high	20 Å²	20	50.5 Å²	50.5	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-37.4	178.2	-65.4	176.1	0	0	0	112.5	T131 W135 M148 L174 A175 I180 E181 G182 C189	T131-L178 HydrophobicContact CG2-CD1 3.83Å; W135-L178 HydrophobicContact CE3-CD2 4.22Å; W135-L178 HydrophobicContact CH2-CB 4.19Å; W135-L178 HydrophobicContact CH2-CD2 3.94Å; W135-L178 WeakPolarHBondContact CH2-O 3.32Å; W135-L178 HydrophobicContact CZ2-CD2 4.5Å; W135-L178 HydrophobicContact CZ3-CB 4.16Å; W135-L178 HydrophobicContact CZ3-CD2 3.78Å; W135-L178 HydrophobicContact CZ3-CG 4.44Å; M148-L178 HydrophobicContact CE-CD1 3.61Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.19Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 WeakPolarHBondContact O-CG 3.39Å; L174-L178 PolarHBondContact O-N 3.33Å; L174-L178 VanDerWaalsContact O-N 3.11Å; A175-L178 PolarHBondContact O-N 3.11Å; L178-I180 PolarHBondContact O-N 3.14Å; L178-E181 PolarHBondContact O-N 2.93Å; L178-G182 PolarHBondContact O-N 3.02Å; L178-C189 HydrophobicContact CB-CB 4.04Å
179	A	98.7	Very high	98.4	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-33.9	175.5	0	0	0	0	0	112.4	A175 S177 C189 N233	A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.18Å; S177-A179 VanDerWaalsContact C-N 3.31Å; S177-A179 PolarHBondContact O-N 2.95Å; A179-C189 HydrophobicContact CB-CB 4.43Å; A179-N233 WeakPolarHBondContact CA-OD1 3.49Å; A179-N233 VanDerWaalsContact CB-OD1 3.25Å; A179-N233 WeakPolarHBondContact CB-OD1 3.38Å; A179-N233 PolarHBondContact O-ND2 2.82Å
180	I	98.1	Very high	98.4	Very high	116 Å²	116	46.6 Å²	46.6	60%	0.595	24%	0.242	S	C	*	.	H	α-helix	trans	-76.9	-51.4	177.5	-63.5	166.3	0	0	0	110.4	N176 S177 L178 G182 R183	N176-I180 WeakPolarHBondContact O-CG1 3.45Å; S177-I180 WeakPolarHBondContact O-CB 3.45Å; S177-I180 PolarHBondContact O-N 3.35Å; L178-I180 PolarHBondContact O-N 3.14Å; I180-G182 VanDerWaalsContact C-N 3.32Å; I180-G182 PolarHBondContact O-N 2.96Å; I180-R183 PolarHBondContact O-N 3.43Å
181	E	98.4	Very high	98.4	Very high	130 Å²	130	45.4 Å²	45.4	61%	0.607	23%	0.23	S	C	*	.	H	α-helix	trans	-63.7	-36.9	-178.1	-68.8	-177.8	-138.5	0	0	112.7	W135 S177 L178	W135-E181 HydrophobicContact CH2-CB 4.33Å; W135-E181 HydrophobicContact CZ2-CB 3.86Å; S177-E181 PolarHBondContact O-N 3.33Å; L178-E181 PolarHBondContact O-N 2.93Å
182	G	98.5	Very high	98.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-77.8	-22.4	-177	0	0	0	0	0	114.8	L178 I180 K184 S185 N186 I187	L178-G182 PolarHBondContact O-N 3.02Å; I180-G182 VanDerWaalsContact C-N 3.32Å; I180-G182 PolarHBondContact O-N 2.96Å; G182-K184 PolarHBondContact O-N 2.75Å; G182-S185 CarbonylContact O-C 3.6Å; G182-S185 WeakPolarHBondContact O-CA 3.41Å; G182-S185 PolarHBondContact O-N 2.7Å; G182-N186 PolarHBondContact O-N 3.37Å; G182-I187 CarbonylContact C-O 3.57Å; G182-I187 VanDerWaalsContact C-O 3.32Å; G182-I187 PolarHBondContact O-N 2.93Å; G182-I187 VanDerWaalsContact O-N 3.1Å
183	R	96.8	Very high	98.4	Very high	167 Å²	167	44.8 Å²	44.8	63%	0.63	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-52.8	-47.6	-169.5	-172.2	-179.5	-66.7	-174	-3.1	113.2	I180 S185 N186	I180-R183 PolarHBondContact O-N 3.43Å; R183-S185 PolarHBondContact O-N 2.86Å; R183-S185 VanDerWaalsContact O-N 3.16Å; R183-N186 PolarHBondContact O-N 3.35Å
184	K	96.1	Very high	98.3	Very high	200 Å²	200	44 Å²	44	87%	0.87	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-68.4	-11.7	-178.5	-70.3	-172.8	177.4	-178.7	0	114	G182	G182-K184 PolarHBondContact O-N 2.75Å
185	S	98.3	Very high	97.9	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.084	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-115.8	18.3	178.8	-57.7	0	0	0	0	112.4	K142 Y143 G182 R183 I187	K142-S185 CarbonylContact C-O 3.5Å; K142-S185 VanDerWaalsContact CA-O 3.3Å; K142-S185 WeakPolarHBondContact CA-O 3.31Å; K142-S185 PolarHBondContact NZ-OG 3.26Å; Y143-S185 PolarHBondContact N-O 2.82Å; G182-S185 CarbonylContact O-C 3.6Å; G182-S185 WeakPolarHBondContact O-CA 3.41Å; G182-S185 PolarHBondContact O-N 2.7Å; R183-S185 PolarHBondContact O-N 2.86Å; R183-S185 VanDerWaalsContact O-N 3.16Å; S185-I187 PolarHBondContact O-N 3.04Å
186	N	98.4	Very high	97.3	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	40.3	-178.2	179.8	31.2	0	0	0	112	K142 G144 R145 G182 R183	K142-N186 WeakPolarHBondContact O-CB 3.12Å; K142-N186 PolarHBondContact O-ND2 2.9Å; G144-N186 PolarHBondContact N-O 2.68Å; R145-N186 PolarHBondContact NH1-O 2.84Å; R145-N186 PolarHBondContact NH1-OD1 3.19Å; R145-N186 VanDerWaalsContact NH1-OD1 3.08Å; R145-N186 PolarHBondContact NH2-OD1 2.91Å; G182-N186 PolarHBondContact O-N 3.37Å; R183-N186 PolarHBondContact O-N 3.35Å
187	I	98.9	Very high	96.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.2	170.7	-54.3	173.9	0	0	0	106.9	W135 M138 K139 G144 I146 G182 S185	W135-I187 HydrophobicContact CE3-CG2 4.36Å; W135-I187 HydrophobicContact CH2-CD1 4.48Å; W135-I187 HydrophobicContact CH2-CG2 4.13Å; W135-I187 HydrophobicContact CZ2-CD1 4.48Å; W135-I187 HydrophobicContact CZ3-CG2 3.73Å; M138-I187 HydrophobicContact CB-CD1 3.71Å; M138-I187 HydrophobicContact CB-CG1 4.03Å; M138-I187 HydrophobicContact SD-CG2 4.29Å; K139-I187 HydrophobicContact CB-CD1 4.17Å; G144-I187 VanDerWaalsContact O-CA 3.32Å; G144-I187 WeakPolarHBondContact O-CA 3.48Å; I146-I187 HydrophobicContact CD1-CG2 3.69Å; G182-I187 CarbonylContact C-O 3.57Å; G182-I187 VanDerWaalsContact C-O 3.32Å; G182-I187 PolarHBondContact O-N 2.93Å; G182-I187 VanDerWaalsContact O-N 3.1Å; S185-I187 PolarHBondContact O-N 3.04Å
188	H	98.9	Very high	95.8	Very high	23 Å²	23	41 Å²	41	11%	0.106	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.2	177.8	-57.7	171.9	0	0	0	109.8	G144 R145 I146 C230 E232 N233	G144-H188 PolarHBondContact O-N 2.75Å; R145-H188 CarbonylContact C-O 3.52Å; R145-H188 WeakPolarHBondContact CA-O 3.43Å; I146-H188 PolarHBondContact N-O 3.01Å; H188-C230 PolarHBondContact CE1-O 3.38Å; H188-C230 VanDerWaalsContact CE1-O 3.3Å; H188-C230 PolarHBondContact ND1-O 3.36Å; H188-C230 VanDerWaalsContact ND1-O 3.15Å; H188-E232 PolarHBondContact ND1-O 3.21Å; H188-N233 WeakPolarHBondContact CA-OD1 3.48Å; H188-N233 HydrophobicContact CB-CB 4.05Å
189	C	98.9	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.4	174.9	-168.4	0	0	0	0	109	I146 L178 A179 N233 G234	I146-C189 HydrophobicContact CB-CB 4.22Å; I146-C189 WeakPolarHBondContact O-CA 3.33Å; L178-C189 HydrophobicContact CB-CB 4.04Å; A179-C189 HydrophobicContact CB-CB 4.43Å; C189-N233 PolarHBondContact N-OD1 3.14Å; C189-N233 PolarHBondContact O-OD1 3.04Å; C189-G234 WeakPolarHBondContact O-CA 3.46Å; C189-G234 PolarHBondContact O-N 3.45Å
190	N	98.9	Very high	94	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	156.9	178.4	-66.6	-59.6	0	0	0	110.4	I146 I147 M148 L225 E232 N233 G234 G235	I146-N190 PolarHBondContact O-N 3.23Å; I147-N190 WeakPolarHBondContact CA-O 3.32Å; I147-N190 HydrophobicContact CD1-CB 4.11Å; M148-N190 PolarHBondContact N-O 3.16Å; N190-L225 HydrophobicContact CB-CD1 4.12Å; N190-L225 HydrophobicContact CB-CD2 4.43Å; N190-E232 PolarHBondContact ND2-O 3.36Å; N190-N233 VanDerWaalsContact OD1-CA 3.3Å; N190-N233 WeakPolarHBondContact OD1-CA 3.5Å; N190-N233 PolarHBondContact OD1-N 3.45Å; N190-G234 PolarHBondContact OD1-N 3.25Å; N190-G234 VanDerWaalsContact OD1-N 3.13Å; N190-G235 PolarHBondContact OD1-N 3.13Å
191	T	98.9	Very high	93	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.3	-178.5	-53.6	0	0	0	0	110.3	M148 S150 L172 A175 G235 L236 F237	M148-T191 HydrophobicContact CB-CG2 4.33Å; M148-T191 WeakPolarHBondContact O-CA 3.4Å; S150-T191 VanDerWaalsContact CB-CG2 3.5Å; L172-T191 HydrophobicContact CB-CG2 4.48Å; L172-T191 HydrophobicContact CD1-CG2 4.3Å; A175-T191 VanDerWaalsContact CB-OG1 3.23Å; A175-T191 WeakPolarHBondContact CB-OG1 3.49Å; T191-G235 PolarHBondContact N-O 3.1Å; T191-L236 HydrophobicContact CG2-CD1 3.66Å; T191-L236 WeakPolarHBondContact O-CA 3.36Å; T191-F237 PolarHBondContact O-N 2.9Å
192	I	98.8	Very high	92.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.8	171.4	61.8	165.1	0	0	0	110.8	Y25 I147 M148 T149 S150 P194 V218 L221 V222 L225 F237 V239	Y25-I192 WeakPolarHBondContact OH-CD1 3.29Å; I147-I192 HydrophobicContact CG2-CD1 4.18Å; I147-I192 HydrophobicContact CG2-CG1 3.94Å; I147-I192 HydrophobicContact CG2-CG2 4.47Å; M148-I192 PolarHBondContact O-N 3.23Å; T149-I192 HydrophobicContact CG2-CG1 4.45Å; S150-I192 CarbonylContact C-O 3.48Å; S150-I192 WeakPolarHBondContact CA-O 3.43Å; S150-I192 PolarHBondContact N-O 3.35Å; I192-P194 HydrophobicContact CD1-CB 4.43Å; I192-P194 HydrophobicContact CD1-CG 4.28Å; I192-V218 HydrophobicContact CD1-CG1 4.25Å; I192-L221 HydrophobicContact CG2-CD2 4.2Å; I192-V222 HydrophobicContact CD1-CG2 3.74Å; I192-L225 HydrophobicContact CG2-CD1 4.04Å; I192-F237 CarbonylContact C-O 3.48Å; I192-F237 VanDerWaalsContact CA-O 3.32Å; I192-F237 WeakPolarHBondContact CA-O 3.45Å; I192-V239 HydrophobicContact CB-CG1 4.45Å
193	A	98.3	Very high	91.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	86.7	169.3	0	0	0	0	0	107.6	I155 F237 E238 V239	I155-A193 HydrophobicContact CD1-CB 3.57Å; A193-F237 PolarHBondContact N-O 3.41Å; A193-E238 HydrophobicContact CB-CG 3.94Å; A193-E238 WeakPolarHBondContact O-CA 3.37Å; A193-V239 PolarHBondContact O-N 3.01Å
194	P	96.8	Very high	90.2	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	146.2	-171.8	33.1	-34.9	0	0	0	112.7	L21 T149 I192 V218 V239	L21-P194 HydrophobicContact CD1-CB 3.89Å; L21-P194 HydrophobicContact CD1-CG 3.69Å; T149-P194 HydrophobicContact CG2-CG 3.84Å; I192-P194 HydrophobicContact CD1-CB 4.43Å; I192-P194 HydrophobicContact CD1-CG 4.28Å; P194-V218 HydrophobicContact CB-CG1 3.94Å; P194-V218 HydrophobicContact CB-CG2 4.14Å; P194-V239 CarbonylContact C-O 3.14Å; P194-V239 WeakPolarHBondContact CA-O 3.41Å; P194-V239 HydrophobicContact CB-CG1 4.15Å
195	N	89.6	Confident	89.5	Confident	64 Å²	64	38.2 Å²	38.2	34%	0.342	20%	0.203	S	C	.	.			trans	-116.8	109.4	167.5	-70.8	-54.9	0	0	0	109.3	V239	N195-V239 PolarHBondContact N-O 3.41Å
196	A	86.4	Confident	88.7	Confident	7 Å²	7	41.5 Å²	41.5	6%	0.058	22%	0.224	C	C	.	.			trans	-146.9	147.9	178.7	0	0	0	0	0	111.9	L21 T201 L213 P215	L21-A196 HydrophobicContact CD1-CB 4.42Å; L21-A196 HydrophobicContact CD2-CB 3.75Å; L21-A196 HydrophobicContact CG-CB 4.14Å; A196-T201 WeakPolarHBondContact O-CG2 3.34Å; A196-T201 PolarHBondContact O-OG1 3.1Å; A196-L213 CarbonylContact C-O 2.99Å; A196-L213 VanDerWaalsContact CA-O 3.29Å; A196-L213 WeakPolarHBondContact CA-O 3.09Å; A196-P215 HydrophobicContact CB-CG 4.33Å
197	G	80.9	Confident	88	Confident	8 Å²	8	46.4 Å²	46.4	8%	0.082	25%	0.245	C	C	.	.			trans	-66.9	124.9	168.2	0	0	0	0	0	111	T201 V210 L213	G197-T201 WeakPolarHBondContact CA-OG1 3.42Å; G197-V210 WeakPolarHBondContact CA-O 3.29Å; G197-L213 PolarHBondContact N-O 3.42Å
198	S	83.9	Confident	87.3	Confident	26 Å²	26	51.9 Å²	51.9	18%	0.182	28%	0.275	C	S	.	.	S	Bend	trans	-157.8	173.5	177.6	72.7	0	0	0	0	109.8	M200 T201 Q202	S198-M200 PolarHBondContact O-N 3.25Å; S198-M200 PolarHBondContact OG-N 3.16Å; S198-T201 PolarHBondContact N-OG1 2.96Å; S198-T201 PolarHBondContact O-N 3.17Å; S198-T201 PolarHBondContact O-OG1 3.06Å; S198-T201 PolarHBondContact OG-OG1 3.02Å; S198-Q202 WeakPolarHBondContact O-CG 3.24Å; S198-Q202 PolarHBondContact O-N 3.44Å; S198-Q202 VanDerWaalsContact O-N 3.14Å
199	R	80.1	Confident	86.4	Confident	125 Å²	125	54.3 Å²	54.3	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31.2	170.5	-178.2	173.3	66.6	164.9	-2.9	113.3	G43 D44 F45	G43-R199 PolarHBondContact O-NH2 3.32Å; D44-R199 VanDerWaalsContact C-NH2 3.3Å; F45-R199 HydrophobicContact CB-CG 4.42Å; F45-R199 HydrophobicContact CD1-CG 3.6Å; F45-R199 HydrophobicContact CE1-CG 4.06Å; F45-R199 HydrophobicContact CG-CG 4.14Å; F45-R199 VanDerWaalsContact N-CZ 3.34Å
200	M	79.5	Confident	85.7	Confident	60 Å²	60	55.2 Å²	55.2	30%	0.296	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26.2	179.7	-72.6	-174.7	-67.4	0	0	113.6	F45 L103 S198	F45-M200 HydrophobicContact CB-CG 3.87Å; L103-M200 HydrophobicContact CD1-CB 3.8Å; L103-M200 HydrophobicContact CD1-CG 4.13Å; L103-M200 WeakPolarHBondContact CD1-O 3.32Å; L103-M200 HydrophobicContact CG-CB 4.5Å; L103-M200 HydrophobicContact CG-CG 4.36Å; L103-M200 HydrophobicContact CG-SD 4.32Å; S198-M200 PolarHBondContact O-N 3.25Å; S198-M200 PolarHBondContact OG-N 3.16Å
201	T	78.1	Confident	85	Confident	29 Å²	29	62.3 Å²	62.3	18%	0.178	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12	-175.9	44.6	0	0	0	0	113.4	A196 G197 S198 T203 V204 M205	A196-T201 WeakPolarHBondContact O-CG2 3.34Å; A196-T201 PolarHBondContact O-OG1 3.1Å; G197-T201 WeakPolarHBondContact CA-OG1 3.42Å; S198-T201 PolarHBondContact N-OG1 2.96Å; S198-T201 PolarHBondContact O-N 3.17Å; S198-T201 PolarHBondContact O-OG1 3.06Å; S198-T201 PolarHBondContact OG-OG1 3.02Å; T201-T203 PolarHBondContact O-N 3.25Å; T201-T203 VanDerWaalsContact O-N 3.16Å; T201-V204 VanDerWaalsContact O-CG2 3.3Å; T201-V204 WeakPolarHBondContact O-CG2 3.46Å; T201-V204 PolarHBondContact O-N 3.41Å; T201-M205 HydrophobicContact CG2-CE 4.34Å; T201-M205 HydrophobicContact CG2-SD 4.49Å; T201-M205 PolarHBondContact O-N 3.3Å; T201-M205 VanDerWaalsContact O-N 3.07Å
202	Q	79.9	Confident	84.4	Confident	121 Å²	121	65 Å²	65	57%	0.565	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.2	174.7	-80.6	175.1	-18.7	0	0	114.3	S198 V204 V210	S198-Q202 WeakPolarHBondContact O-CG 3.24Å; S198-Q202 PolarHBondContact O-N 3.44Å; S198-Q202 VanDerWaalsContact O-N 3.14Å; Q202-V204 PolarHBondContact O-N 3.15Å; Q202-V210 HydrophobicContact CG-CG1 4.02Å; Q202-V210 HydrophobicContact CG-CG2 4.25Å
203	T	77.3	Confident	83.9	Confident	95 Å²	95	66.1 Å²	66.1	58%	0.583	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.9	179.5	54.3	0	0	0	0	113.5	T201	T201-T203 PolarHBondContact O-N 3.25Å; T201-T203 VanDerWaalsContact O-N 3.16Å
204	V	77	Confident	83.7	Confident	105 Å²	105	71 Å²	71	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	-3.4	-172.2	-64.2	0	0	0	0	113.7	T201 Q202	T201-V204 VanDerWaalsContact O-CG2 3.3Å; T201-V204 WeakPolarHBondContact O-CG2 3.46Å; T201-V204 PolarHBondContact O-N 3.41Å; Q202-V204 PolarHBondContact O-N 3.15Å
205	M	81.6	Confident	83.6	Confident	44 Å²	44	70.9 Å²	70.9	22%	0.217	38%	0.375	C	S	.	.	S	Bend	trans	-127.2	142.1	-178.8	-69.1	178.9	-178.6	0	0	111.1	T201 L209 V210 L213	T201-M205 HydrophobicContact CG2-CE 4.34Å; T201-M205 HydrophobicContact CG2-SD 4.49Å; T201-M205 PolarHBondContact O-N 3.3Å; T201-M205 VanDerWaalsContact O-N 3.07Å; M205-L209 HydrophobicContact CB-CD2 4.45Å; M205-L209 HydrophobicContact CG-CD2 4.28Å; M205-L209 HydrophobicContact SD-CD2 4.47Å; M205-V210 HydrophobicContact CB-CG2 3.64Å; M205-L213 HydrophobicContact CE-CD1 4.23Å; M205-L213 HydrophobicContact SD-CD1 3.94Å
206	P	82.2	Confident	83.9	Confident	81 Å²	81	72.2 Å²	72.2	53%	0.526	38%	0.379	S	S	.	.			trans	-55.4	150.2	165.9	-27	37.5	0	0	0	112.8	D208 L209 V210	P206-D208 WeakPolarHBondContact CB-OD1 3.33Å; P206-D208 PolarHBondContact O-N 3.48Å; P206-L209 HydrophobicContact CB-CB 4.48Å; P206-L209 PolarHBondContact O-N 2.94Å; P206-L209 VanDerWaalsContact O-N 3.16Å; P206-V210 WeakPolarHBondContact O-CG2 3.31Å; P206-V210 PolarHBondContact O-N 2.96Å
207	E	83.4	Confident	84.4	Confident	164 Å²	164	76.7 Å²	76.7	77%	0.766	40%	0.395	S	S	*	.	H	α-helix	trans	-59.2	-43.7	-175.2	-70.6	-178.2	174.2	0	0	113	L209 V210 E211	E207-L209 VanDerWaalsContact C-N 3.3Å; E207-L209 PolarHBondContact O-N 3.16Å; E207-V210 WeakPolarHBondContact O-CB 3.19Å; E207-V210 PolarHBondContact O-N 3.3Å; E207-E211 WeakPolarHBondContact O-CG 2.99Å; E207-E211 PolarHBondContact O-N 3.46Å
208	D	83.4	Confident	85.2	Confident	116 Å²	116	76.3 Å²	76.3	62%	0.62	39%	0.392	S	S	*	.	H	α-helix	trans	-60.3	-38.7	177.2	62.8	-38.9	0	0	0	112.2	P206 E211 A212	P206-D208 WeakPolarHBondContact CB-OD1 3.33Å; P206-D208 PolarHBondContact O-N 3.48Å; D208-E211 PolarHBondContact O-N 2.81Å; D208-A212 WeakPolarHBondContact O-CB 3.42Å; D208-A212 PolarHBondContact O-N 2.84Å
209	L	80.6	Confident	85.9	Confident	74 Å²	74	75.3 Å²	75.3	39%	0.387	39%	0.385	S	S	.	.	H	α-helix	trans	-71.1	-38.4	176.1	-172	62.6	0	0	0	112	M205 P206 E207 E211 A212 L213	M205-L209 HydrophobicContact CB-CD2 4.45Å; M205-L209 HydrophobicContact CG-CD2 4.28Å; M205-L209 HydrophobicContact SD-CD2 4.47Å; P206-L209 HydrophobicContact CB-CB 4.48Å; P206-L209 PolarHBondContact O-N 2.94Å; P206-L209 VanDerWaalsContact O-N 3.16Å; E207-L209 VanDerWaalsContact C-N 3.3Å; E207-L209 PolarHBondContact O-N 3.16Å; L209-E211 VanDerWaalsContact C-N 3.31Å; L209-E211 PolarHBondContact O-N 2.98Å; L209-A212 PolarHBondContact O-N 2.68Å; L209-L213 HydrophobicContact CD1-CD1 3.98Å; L209-L213 HydrophobicContact CD1-CG 4.03Å; L209-L213 HydrophobicContact CD2-CD1 4.44Å; L209-L213 HydrophobicContact CG-CD1 3.87Å; L209-L213 HydrophobicContact CG-CG 4.28Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 WeakPolarHBondContact O-CG 3.14Å; L209-L213 PolarHBondContact O-N 3.11Å
210	V	83.4	Confident	86.8	Confident	20 Å²	20	73.2 Å²	73.2	12%	0.121	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-43	173.8	172.9	0	0	0	0	110.4	G197 Q202 M205 P206 E207	G197-V210 WeakPolarHBondContact CA-O 3.29Å; Q202-V210 HydrophobicContact CG-CG1 4.02Å; Q202-V210 HydrophobicContact CG-CG2 4.25Å; M205-V210 HydrophobicContact CB-CG2 3.64Å; P206-V210 WeakPolarHBondContact O-CG2 3.31Å; P206-V210 PolarHBondContact O-N 2.96Å; E207-V210 WeakPolarHBondContact O-CB 3.19Å; E207-V210 PolarHBondContact O-N 3.3Å
211	E	83.9	Confident	87.7	Confident	150 Å²	150	70.7 Å²	70.7	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-67.6	-36.3	177.4	-71.4	-173.1	172.5	0	0	113.1	E207 D208 L209 K214	E207-E211 WeakPolarHBondContact O-CG 2.99Å; E207-E211 PolarHBondContact O-N 3.46Å; D208-E211 PolarHBondContact O-N 2.81Å; L209-E211 VanDerWaalsContact C-N 3.31Å; L209-E211 PolarHBondContact O-N 2.98Å; E211-K214 WeakPolarHBondContact O-CG 3.47Å
212	A	86.3	Confident	88.7	Confident	56 Å²	56	69.3 Å²	69.3	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-72.3	-36.8	179.4	0	0	0	0	0	113	D208 L209 K214 Y217	D208-A212 WeakPolarHBondContact O-CB 3.42Å; D208-A212 PolarHBondContact O-N 2.84Å; L209-A212 PolarHBondContact O-N 2.68Å; A212-K214 PolarHBondContact O-N 2.72Å; A212-Y217 WeakPolarHBondContact O-CE2 3.37Å
213	L	89.4	Confident	89.6	Confident	24 Å²	24	64.1 Å²	64.1	13%	0.126	34%	0.342	C	S	.	.	S	Bend	trans	-82.2	62.2	-176.8	-68.2	179.2	0	0	0	112.4	A196 G197 M205 L209 A241	A196-L213 CarbonylContact C-O 2.99Å; A196-L213 VanDerWaalsContact CA-O 3.29Å; A196-L213 WeakPolarHBondContact CA-O 3.09Å; G197-L213 PolarHBondContact N-O 3.42Å; M205-L213 HydrophobicContact CE-CD1 4.23Å; M205-L213 HydrophobicContact SD-CD1 3.94Å; L209-L213 HydrophobicContact CD1-CD1 3.98Å; L209-L213 HydrophobicContact CD1-CG 4.03Å; L209-L213 HydrophobicContact CD2-CD1 4.44Å; L209-L213 HydrophobicContact CG-CD1 3.87Å; L209-L213 HydrophobicContact CG-CG 4.28Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 WeakPolarHBondContact O-CG 3.14Å; L209-L213 PolarHBondContact O-N 3.11Å; L213-A241 HydrophobicContact CD2-CB 3.82Å
214	K	93.2	Very high	90.6	Very high	102 Å²	102	64.9 Å²	64.9	44%	0.443	34%	0.335	S	S	.	.			trans	-60.1	130.5	-176	-72.4	-175.2	-176.4	178.6	0	113.3	E211 A212 E216 Y217	E211-K214 WeakPolarHBondContact O-CG 3.47Å; A212-K214 PolarHBondContact O-N 2.72Å; K214-E216 VanDerWaalsContact CB-OE2 3.31Å; K214-E216 WeakPolarHBondContact CB-OE2 3.3Å; K214-E216 PolarHBondContact O-N 3.15Å; K214-E216 VanDerWaalsContact O-N 3.09Å; K214-Y217 HydrophobicContact CB-CD2 3.89Å; K214-Y217 HydrophobicContact CB-CE2 3.85Å; K214-Y217 HydrophobicContact CB-CG 4.31Å; K214-Y217 HydrophobicContact CD-CE2 4.5Å; K214-Y217 HydrophobicContact CG-CE2 4.35Å; K214-Y217 WeakPolarHBondContact O-CB 3.37Å; K214-Y217 PolarHBondContact O-N 3.1Å
215	P	94.8	Very high	91.7	Very high	17 Å²	17	59.9 Å²	59.9	11%	0.11	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-51.9	-28.9	171.6	-29.9	37.3	0	0	0	114.3	L21 A24 A196 Y217 V218 A219	L21-P215 HydrophobicContact CD2-CB 3.96Å; L21-P215 HydrophobicContact CG-CB 4.44Å; A24-P215 HydrophobicContact CB-CB 3.84Å; A196-P215 HydrophobicContact CB-CG 4.33Å; P215-Y217 PolarHBondContact O-N 3.08Å; P215-V218 PolarHBondContact O-N 3.26Å; P215-A219 PolarHBondContact O-N 2.91Å
216	E	96.8	Very high	92.5	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.43	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-62	-19.2	176.7	-64.3	75.6	-166.7	0	0	113.1	K214 V218 P220	K214-E216 VanDerWaalsContact CB-OE2 3.31Å; K214-E216 WeakPolarHBondContact CB-OE2 3.3Å; K214-E216 PolarHBondContact O-N 3.15Å; K214-E216 VanDerWaalsContact O-N 3.09Å; E216-V218 VanDerWaalsContact C-N 3.3Å; E216-P220 WeakPolarHBondContact O-CD 3.18Å
217	Y	97.1	Very high	93.3	Very high	102 Å²	102	54.7 Å²	54.7	40%	0.4	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-80.7	-11.5	174.3	-60.4	-29.4	0	0	0	113.7	A212 K214 P215	A212-Y217 WeakPolarHBondContact O-CE2 3.37Å; K214-Y217 HydrophobicContact CB-CD2 3.89Å; K214-Y217 HydrophobicContact CB-CE2 3.85Å; K214-Y217 HydrophobicContact CB-CG 4.31Å; K214-Y217 HydrophobicContact CD-CE2 4.5Å; K214-Y217 HydrophobicContact CG-CE2 4.35Å; K214-Y217 WeakPolarHBondContact O-CB 3.37Å; K214-Y217 PolarHBondContact O-N 3.1Å; P215-Y217 PolarHBondContact O-N 3.08Å
218	V	98.1	Very high	94	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-35.8	175.5	-178.9	0	0	0	0	111.4	L21 Y25 I192 P194 P215 E216 P220 L221 V222 V239	L21-V218 HydrophobicContact CD2-CB 3.73Å; L21-V218 HydrophobicContact CD2-CG1 4.07Å; L21-V218 HydrophobicContact CD2-CG2 3.79Å; Y25-V218 HydrophobicContact CE1-CB 4.3Å; Y25-V218 HydrophobicContact CE1-CG1 3.99Å; Y25-V218 WeakPolarHBondContact OH-CG1 3.32Å; I192-V218 HydrophobicContact CD1-CG1 4.25Å; P194-V218 HydrophobicContact CB-CG1 3.94Å; P194-V218 HydrophobicContact CB-CG2 4.14Å; P215-V218 PolarHBondContact O-N 3.26Å; E216-V218 VanDerWaalsContact C-N 3.3Å; V218-P220 VanDerWaalsContact C-CD 3.45Å; V218-L221 PolarHBondContact O-N 2.84Å; V218-L221 VanDerWaalsContact O-N 3.1Å; V218-V222 HydrophobicContact CG1-CG2 4.46Å; V218-V222 PolarHBondContact O-N 2.84Å; V218-V239 HydrophobicContact CB-CG2 4.33Å; V218-V239 HydrophobicContact CG1-CG1 3.66Å; V218-V239 HydrophobicContact CG1-CG2 4.2Å; V218-V239 HydrophobicContact CG2-CG1 4.33Å; V218-V239 HydrophobicContact CG2-CG2 4.21Å
219	A	98.5	Very high	94.7	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-51.9	-41.5	-175.1	0	0	0	0	0	114.8	Y25 A28 P215 L221 V222 L223	Y25-A219 HydrophobicContact CD1-CB 3.74Å; Y25-A219 HydrophobicContact CE1-CB 4.15Å; A28-A219 HydrophobicContact CB-CB 4.23Å; P215-A219 PolarHBondContact O-N 2.91Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.92Å; A219-V222 PolarHBondContact O-N 2.89Å; A219-V222 VanDerWaalsContact O-N 3.16Å; A219-L223 VanDerWaalsContact O-CD1 3.31Å; A219-L223 WeakPolarHBondContact O-CD1 3.38Å; A219-L223 PolarHBondContact O-N 3.46Å
220	P	98.6	Very high	95.6	Very high	80 Å²	80	46 Å²	46	52%	0.519	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-37.2	178.4	-28.1	36.3	0	0	0	114.3	E216 V218 W224	E216-P220 WeakPolarHBondContact O-CD 3.18Å; V218-P220 VanDerWaalsContact C-CD 3.45Å; P220-W224 WeakPolarHBondContact O-CB 3.38Å; P220-W224 PolarHBondContact O-N 2.93Å
221	L	98.8	Very high	96.3	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-67.5	-43.9	176.9	177.1	61.1	0	0	0	111.1	I192 V218 A219 L223 W224 L225 F237 V239 I244	I192-L221 HydrophobicContact CG2-CD2 4.2Å; V218-L221 PolarHBondContact O-N 2.84Å; V218-L221 VanDerWaalsContact O-N 3.1Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.92Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.13Å; L221-W224 PolarHBondContact O-N 3.47Å; L221-L225 HydrophobicContact CD1-CD1 3.92Å; L221-L225 HydrophobicContact CD1-CD2 4.46Å; L221-L225 HydrophobicContact CD1-CG 3.92Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.3Å; L221-L225 WeakPolarHBondContact O-CB 3.36Å; L221-L225 VanDerWaalsContact O-CG 3.32Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 2.95Å; L221-F237 HydrophobicContact CD2-CB 3.76Å; L221-F237 HydrophobicContact CD2-CG 4.26Å; L221-V239 HydrophobicContact CB-CG2 4.32Å; L221-V239 HydrophobicContact CD2-CB 3.74Å; L221-V239 HydrophobicContact CD2-CG1 3.94Å; L221-V239 HydrophobicContact CD2-CG2 3.95Å; L221-I244 HydrophobicContact CB-CD1 4.03Å; L221-I244 HydrophobicContact CB-CG1 4.48Å; L221-I244 HydrophobicContact CD1-CD1 4.26Å; L221-I244 HydrophobicContact CD1-CG2 4.07Å; L221-I244 HydrophobicContact CD2-CG1 4.3Å; L221-I244 HydrophobicContact CD2-CG2 3.81Å
222	V	98.9	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177.2	172.4	0	0	0	0	110.7	Y25 F29 V97 I147 I192 V218 A219 L225 C226	Y25-V222 HydrophobicContact CD1-CB 4.19Å; Y25-V222 HydrophobicContact CD1-CG1 4.34Å; Y25-V222 HydrophobicContact CD1-CG2 4.17Å; Y25-V222 HydrophobicContact CD2-CG1 4.46Å; Y25-V222 HydrophobicContact CE1-CB 4.19Å; Y25-V222 HydrophobicContact CE1-CG2 3.68Å; Y25-V222 HydrophobicContact CE2-CG2 4.22Å; Y25-V222 HydrophobicContact CG-CG1 4.25Å; F29-V222 HydrophobicContact CE2-CG1 3.92Å; F29-V222 HydrophobicContact CZ-CG1 4.07Å; V97-V222 HydrophobicContact CG1-CG1 4.26Å; V97-V222 HydrophobicContact CG2-CG1 4.07Å; I147-V222 HydrophobicContact CG1-CG1 4.35Å; I192-V222 HydrophobicContact CD1-CG2 3.74Å; V218-V222 HydrophobicContact CG1-CG2 4.46Å; V218-V222 PolarHBondContact O-N 2.84Å; A219-V222 PolarHBondContact O-N 2.89Å; A219-V222 VanDerWaalsContact O-N 3.16Å; V222-L225 PolarHBondContact O-N 3.47Å; V222-C226 WeakPolarHBondContact O-CB 3.39Å; V222-C226 PolarHBondContact O-N 3.16Å; V222-C226 VanDerWaalsContact O-N 3.08Å; V222-C226 PolarHBondContact O-SG 2.99Å
223	L	98.8	Very high	97.6	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-50.1	174.4	-91.5	60.3	0	0	0	110.9	F7 A28 F29 A219 L221 L225 C226 H227	F7-L223 HydrophobicContact CE2-CB 4.33Å; F7-L223 HydrophobicContact CE2-CG 4.13Å; F7-L223 HydrophobicContact CZ-CB 4.37Å; F7-L223 HydrophobicContact CZ-CG 4.47Å; F7-L223 VanDerWaalsContact CZ-O 3.31Å; F7-L223 WeakPolarHBondContact CZ-O 3.28Å; A28-L223 HydrophobicContact CB-CD1 3.81Å; A28-L223 HydrophobicContact CB-CD2 3.81Å; A28-L223 HydrophobicContact CB-CG 4.48Å; F29-L223 HydrophobicContact CD1-CD1 4.04Å; F29-L223 HydrophobicContact CD1-CG 4.03Å; F29-L223 HydrophobicContact CD2-CD1 3.83Å; F29-L223 HydrophobicContact CE1-CD1 3.92Å; F29-L223 HydrophobicContact CE1-CG 3.89Å; F29-L223 HydrophobicContact CE2-CD1 3.7Å; F29-L223 HydrophobicContact CG-CD1 3.99Å; F29-L223 HydrophobicContact CG-CG 4.42Å; F29-L223 HydrophobicContact CZ-CD1 3.74Å; F29-L223 HydrophobicContact CZ-CG 4.16Å; A219-L223 VanDerWaalsContact O-CD1 3.31Å; A219-L223 WeakPolarHBondContact O-CD1 3.38Å; A219-L223 PolarHBondContact O-N 3.46Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.13Å; L223-L225 PolarHBondContact O-N 3.25Å; L223-C226 CarbonylContact O-C 3.48Å; L223-C226 PolarHBondContact O-N 3.09Å; L223-C226 VanDerWaalsContact O-N 3.1Å; L223-H227 PolarHBondContact O-N 2.91Å
224	W	98.8	Very high	98	Very high	111 Å²	111	47.7 Å²	47.7	42%	0.42	24%	0.239	S	C	.	.	H	α-helix	trans	-56.1	-50.9	178.3	168.2	-120.8	0	0	0	112.2	L5 P220 L221 C226 H227 C230	L5-W224 HydrophobicContact CD1-CE3 3.88Å; L5-W224 HydrophobicContact CD1-CZ3 4.46Å; P220-W224 WeakPolarHBondContact O-CB 3.38Å; P220-W224 PolarHBondContact O-N 2.93Å; L221-W224 PolarHBondContact O-N 3.47Å; W224-C226 PolarHBondContact O-N 3.05Å; W224-C226 VanDerWaalsContact O-N 3.15Å; W224-H227 WeakPolarHBondContact O-CB 3.3Å; W224-H227 PolarHBondContact O-N 3.5Å; W224-H227 VanDerWaalsContact O-N 3.08Å; W224-C230 HydrophobicContact CD2-CB 4.37Å; W224-C230 HydrophobicContact CE3-CB 4.35Å; W224-C230 HydrophobicContact CH2-CB 4.16Å; W224-C230 HydrophobicContact CZ2-CB 4.16Å; W224-C230 HydrophobicContact CZ3-CB 4.26Å; W224-C230 WeakPolarHBondContact O-CB 3.19Å
225	L	98.9	Very high	98.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-22.2	179.7	-67.4	175.3	0	0	0	113.3	I147 N190 I192 L221 V222 L223 E232 F237	I147-L225 HydrophobicContact CD1-CB 3.7Å; I147-L225 HydrophobicContact CD1-CD1 4Å; N190-L225 HydrophobicContact CB-CD1 4.12Å; N190-L225 HydrophobicContact CB-CD2 4.43Å; I192-L225 HydrophobicContact CG2-CD1 4.04Å; L221-L225 HydrophobicContact CD1-CD1 3.92Å; L221-L225 HydrophobicContact CD1-CD2 4.46Å; L221-L225 HydrophobicContact CD1-CG 3.92Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.3Å; L221-L225 WeakPolarHBondContact O-CB 3.36Å; L221-L225 VanDerWaalsContact O-CG 3.32Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 2.95Å; V222-L225 PolarHBondContact O-N 3.47Å; L223-L225 PolarHBondContact O-N 3.25Å; L225-E232 HydrophobicContact CD2-CB 4.02Å; L225-E232 HydrophobicContact CD2-CG 3.86Å; L225-F237 HydrophobicContact CD1-CD2 4.02Å; L225-F237 HydrophobicContact CD1-CE2 4.26Å; L225-F237 HydrophobicContact CD2-CD2 4.44Å; L225-F237 HydrophobicContact CD2-CE2 3.87Å; L225-F237 HydrophobicContact CD2-CZ 4.3Å
226	C	98.9	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-97.5	-3.2	177.8	-68.1	0	0	0	0	114.6	F7 F29 V95 Y143 R145 I147 V222 L223 W224	F7-C226 HydrophobicContact CE1-CB 4.32Å; F7-C226 WeakPolarHBondContact CE1-O 3.49Å; F29-C226 HydrophobicContact CE1-CB 3.91Å; F29-C226 HydrophobicContact CZ-CB 3.73Å; V95-C226 HydrophobicContact CG1-CB 3.75Å; V95-C226 WeakPolarHBondContact CG1-SG 3.4Å; V95-C226 HydrophobicContact CG2-CB 4.33Å; Y143-C226 PolarHBondContact OH-O 2.94Å; R145-C226 HydrophobicContact CB-CB 4.15Å; R145-C226 WeakPolarHBondContact CG-O 3.42Å; I147-C226 WeakPolarHBondContact CG1-SG 3.46Å; V222-C226 WeakPolarHBondContact O-CB 3.39Å; V222-C226 PolarHBondContact O-N 3.16Å; V222-C226 VanDerWaalsContact O-N 3.08Å; V222-C226 PolarHBondContact O-SG 2.99Å; L223-C226 CarbonylContact O-C 3.48Å; L223-C226 PolarHBondContact O-N 3.09Å; L223-C226 VanDerWaalsContact O-N 3.1Å; W224-C226 PolarHBondContact O-N 3.05Å; W224-C226 VanDerWaalsContact O-N 3.15Å
227	H	98.8	Very high	98.5	Very high	16 Å²	16	39.5 Å²	39.5	7%	0.074	20%	0.202	C	C	.	.	S	Bend	trans	-74.9	151.4	-179.8	-167.3	-100.9	0	0	0	111.3	R6 F7 R145 L223 W224 S229 C230	R6-H227 PolarHBondContact N-NE2 2.86Å; R6-H227 PolarHBondContact O-CD2 2.75Å; R6-H227 VanDerWaalsContact O-CD2 3.28Å; R6-H227 PolarHBondContact O-NE2 3Å; F7-H227 HydrophobicContact CE1-CB 4.3Å; F7-H227 HydrophobicContact CZ-CB 3.97Å; F7-H227 AromaticContact CZ-CD2 3.86Å; R145-H227 PolarHBondContact NE-O 2.88Å; R145-H227 VanDerWaalsContact NE-O 3.16Å; L223-H227 PolarHBondContact O-N 2.91Å; W224-H227 WeakPolarHBondContact O-CB 3.3Å; W224-H227 PolarHBondContact O-N 3.5Å; W224-H227 VanDerWaalsContact O-N 3.08Å; H227-S229 VanDerWaalsContact C-N 3.27Å; H227-S229 PolarHBondContact CE1-OG 2.84Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 2.93Å; H227-S229 PolarHBondContact O-N 3.32Å; H227-C230 WeakPolarHBondContact O-CB 3.28Å; H227-C230 PolarHBondContact O-N 3.45Å; H227-C230 VanDerWaalsContact O-N 3.11Å
228	E	98.4	Very high	98.6	Very high	105 Å²	105	36 Å²	36	49%	0.491	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.8	-176.8	66.4	-172.4	158.6	0	0	112.9	R10 Y143 R145 C230	R10-E228 IonicContact CZ-OE2 2.78Å; R10-E228 IonicContact NH2-OE2 3.63Å; R10-E228 PolarHBondContact NH2-OE2 3.34Å; Y143-E228 HydrophobicContact CE2-CB 3.7Å; Y143-E228 WeakPolarHBondContact OH-CA 3.47Å; Y143-E228 PolarHBondContact OH-N 3.14Å; R145-E228 PolarHBondContact NH2-O 3.1Å; E228-C230 VanDerWaalsContact C-N 3.26Å; E228-C230 PolarHBondContact O-N 3.28Å
229	S	98.2	Very high	98.6	Very high	64 Å²	64	36 Å²	36	45%	0.448	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.3	177.2	75.8	0	0	0	0	114.4	H227	H227-S229 VanDerWaalsContact C-N 3.27Å; H227-S229 PolarHBondContact CE1-OG 2.84Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 2.93Å; H227-S229 PolarHBondContact O-N 3.32Å
230	C	98.4	Very high	98.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.192	C	C	.	.			trans	-84.4	121.8	178.6	-176.5	0	0	0	0	110.4	R145 H188 W224 H227 E228	R145-C230 PolarHBondContact NH2-O 3.21Å; H188-C230 PolarHBondContact CE1-O 3.38Å; H188-C230 VanDerWaalsContact CE1-O 3.3Å; H188-C230 PolarHBondContact ND1-O 3.36Å; H188-C230 VanDerWaalsContact ND1-O 3.15Å; W224-C230 HydrophobicContact CD2-CB 4.37Å; W224-C230 HydrophobicContact CE3-CB 4.35Å; W224-C230 HydrophobicContact CH2-CB 4.16Å; W224-C230 HydrophobicContact CZ2-CB 4.16Å; W224-C230 HydrophobicContact CZ3-CB 4.26Å; W224-C230 WeakPolarHBondContact O-CB 3.19Å; H227-C230 WeakPolarHBondContact O-CB 3.28Å; H227-C230 PolarHBondContact O-N 3.45Å; H227-C230 VanDerWaalsContact O-N 3.11Å; E228-C230 VanDerWaalsContact C-N 3.26Å; E228-C230 PolarHBondContact O-N 3.28Å
231	E	98.2	Very high	98.1	Very high	177 Å²	177	35.6 Å²	35.6	83%	0.827	19%	0.194	S	C	*	.			trans	-95.4	-3.9	179.1	-63.3	-176.6	-168.9	0	0	113.4	N233	E231-N233 PolarHBondContact O-N 3.15Å
232	E	98.7	Very high	97.8	Very high	48 Å²	48	38 Å²	38	22%	0.224	22%	0.22	C	C	.	.			trans	-65.5	130.3	178.1	-177.2	63.9	-132	0	0	110.6	H188 N190 L225 G235 F237 K246	H188-E232 PolarHBondContact ND1-O 3.21Å; N190-E232 PolarHBondContact ND2-O 3.36Å; L225-E232 HydrophobicContact CD2-CB 4.02Å; L225-E232 HydrophobicContact CD2-CG 3.86Å; E232-G235 WeakPolarHBondContact OE1-CA 3.48Å; E232-F237 HydrophobicContact CG-CE2 3.79Å; E232-F237 HydrophobicContact CG-CZ 3.76Å; E232-K246 WeakPolarHBondContact OE1-CE 3.32Å; E232-K246 IonicContact OE1-NZ 3.74Å; E232-K246 PolarHBondContact OE1-NZ 3.38Å; E232-K246 IonicContact OE2-NZ 3.7Å; E232-K246 PolarHBondContact OE2-NZ 3.46Å
233	N	98.6	Very high	97.8	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	25%	0.247	C	C	.	.			trans	-150.7	130.7	-179.4	-176.8	27.7	0	0	0	110.3	A179 H188 C189 N190 E231 G235	A179-N233 WeakPolarHBondContact CA-OD1 3.49Å; A179-N233 VanDerWaalsContact CB-OD1 3.25Å; A179-N233 WeakPolarHBondContact CB-OD1 3.38Å; A179-N233 PolarHBondContact O-ND2 2.82Å; H188-N233 WeakPolarHBondContact CA-OD1 3.48Å; H188-N233 HydrophobicContact CB-CB 4.05Å; C189-N233 PolarHBondContact N-OD1 3.14Å; C189-N233 PolarHBondContact O-OD1 3.04Å; N190-N233 VanDerWaalsContact OD1-CA 3.3Å; N190-N233 WeakPolarHBondContact OD1-CA 3.5Å; N190-N233 PolarHBondContact OD1-N 3.45Å; E231-N233 PolarHBondContact O-N 3.15Å; N233-G235 VanDerWaalsContact C-N 3.3Å
234	G	98.3	Very high	97.8	Very high	31 Å²	31	48.6 Å²	48.6	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	76.3	15.4	-174.4	0	0	0	0	0	114	C189 N190	C189-G234 WeakPolarHBondContact O-CA 3.46Å; C189-G234 PolarHBondContact O-N 3.45Å; N190-G234 PolarHBondContact OD1-N 3.25Å; N190-G234 VanDerWaalsContact OD1-N 3.13Å
235	G	98.6	Very high	97.7	Very high	2 Å²	2	44 Å²	44	2%	0.021	25%	0.251	C	S	.	.			trans	-76.8	150.6	178.4	0	0	0	0	0	113	N190 T191 E232 N233	N190-G235 PolarHBondContact OD1-N 3.13Å; T191-G235 PolarHBondContact N-O 3.1Å; E232-G235 WeakPolarHBondContact OE1-CA 3.48Å; N233-G235 VanDerWaalsContact C-N 3.3Å
236	L	98.9	Very high	97.7	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.1	169.2	174.4	62.2	0	0	0	108.9	I155 L172 T191 K246 L247	I155-L236 HydrophobicContact CD1-CD1 4.31Å; I155-L236 HydrophobicContact CD1-CD2 4.23Å; I155-L236 HydrophobicContact CG1-CD2 4.41Å; L172-L236 HydrophobicContact CD1-CB 4.26Å; L172-L236 HydrophobicContact CD1-CD1 4.3Å; L172-L236 HydrophobicContact CD1-CD2 4.37Å; L172-L236 HydrophobicContact CD2-CD2 3.84Å; T191-L236 HydrophobicContact CG2-CD1 3.66Å; T191-L236 WeakPolarHBondContact O-CA 3.36Å; L236-K246 WeakPolarHBondContact O-CA 3.16Å; L236-L247 HydrophobicContact CB-CB 4.34Å; L236-L247 HydrophobicContact CD2-CB 3.82Å; L236-L247 HydrophobicContact CD2-CD2 4.1Å; L236-L247 HydrophobicContact CG-CB 3.99Å; L236-L247 PolarHBondContact O-N 3.44Å
237	F	98.9	Very high	97.7	Very high	19 Å²	19	51.2 Å²	51.2	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.3	-176.4	-62.7	-91.7	0	0	0	112.5	T191 I192 A193 L221 L225 E232 I244 G245 K246	T191-F237 PolarHBondContact O-N 2.9Å; I192-F237 CarbonylContact C-O 3.48Å; I192-F237 VanDerWaalsContact CA-O 3.32Å; I192-F237 WeakPolarHBondContact CA-O 3.45Å; A193-F237 PolarHBondContact N-O 3.41Å; L221-F237 HydrophobicContact CD2-CB 3.76Å; L221-F237 HydrophobicContact CD2-CG 4.26Å; L225-F237 HydrophobicContact CD1-CD2 4.02Å; L225-F237 HydrophobicContact CD1-CE2 4.26Å; L225-F237 HydrophobicContact CD2-CD2 4.44Å; L225-F237 HydrophobicContact CD2-CE2 3.87Å; L225-F237 HydrophobicContact CD2-CZ 4.3Å; E232-F237 HydrophobicContact CG-CE2 3.79Å; E232-F237 HydrophobicContact CG-CZ 3.76Å; F237-I244 HydrophobicContact CD1-CG2 4.05Å; F237-G245 CarbonylContact C-O 3.51Å; F237-G245 WeakPolarHBondContact CA-O 3.47Å; F237-K246 HydrophobicContact CD1-CB 3.91Å; F237-K246 HydrophobicContact CD1-CG 4.17Å; F237-K246 HydrophobicContact CE1-CB 3.7Å; F237-K246 HydrophobicContact CE1-CD 3.9Å; F237-K246 HydrophobicContact CE1-CG 3.75Å; F237-K246 HydrophobicContact CZ-CB 4.49Å; F237-K246 HydrophobicContact CZ-CD 3.91Å; F237-K246 HydrophobicContact CZ-CG 4.05Å
238	E	98.6	Very high	97.7	Very high	27 Å²	27	56.6 Å²	56.6	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.6	161.9	-76.3	-173.9	98.2	0	0	109.6	I155 Y156 A193 W243 I244 G245 L247	I155-E238 HydrophobicContact CD1-CG 4.36Å; Y156-E238 WeakPolarHBondContact CE2-OE1 3.28Å; Y156-E238 PolarHBondContact OH-OE2 2.93Å; A193-E238 HydrophobicContact CB-CG 3.94Å; A193-E238 WeakPolarHBondContact O-CA 3.37Å; E238-W243 HydrophobicContact CB-CH2 4.15Å; E238-W243 HydrophobicContact CB-CZ3 3.68Å; E238-I244 WeakPolarHBondContact O-CA 3.49Å; E238-G245 PolarHBondContact N-O 3.4Å; E238-G245 PolarHBondContact O-N 3.3Å; E238-L247 HydrophobicContact CB-CD1 3.96Å; E238-L247 HydrophobicContact CG-CD1 3.64Å; E238-L247 HydrophobicContact CG-CD2 4.33Å
239	V	97.8	Very high	97.6	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	135.8	-172.7	56.2	0	0	0	0	112.3	I192 A193 P194 N195 V218 L221 W243 I244	I192-V239 HydrophobicContact CB-CG1 4.45Å; A193-V239 PolarHBondContact O-N 3.01Å; P194-V239 CarbonylContact C-O 3.14Å; P194-V239 WeakPolarHBondContact CA-O 3.41Å; P194-V239 HydrophobicContact CB-CG1 4.15Å; N195-V239 PolarHBondContact N-O 3.41Å; V218-V239 HydrophobicContact CB-CG2 4.33Å; V218-V239 HydrophobicContact CG1-CG1 3.66Å; V218-V239 HydrophobicContact CG1-CG2 4.2Å; V218-V239 HydrophobicContact CG2-CG1 4.33Å; V218-V239 HydrophobicContact CG2-CG2 4.21Å; L221-V239 HydrophobicContact CB-CG2 4.32Å; L221-V239 HydrophobicContact CD2-CB 3.74Å; L221-V239 HydrophobicContact CD2-CG1 3.94Å; L221-V239 HydrophobicContact CD2-CG2 3.95Å; V239-W243 WeakPolarHBondContact CA-O 3.42Å; V239-I244 HydrophobicContact CB-CG1 4.43Å; V239-I244 HydrophobicContact CG2-CG1 3.85Å
240	G	93.9	Very high	97.5	Very high	9 Å²	9	61.3 Å²	61.3	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	157.5	177.4	0	0	0	0	0	111.3	G242 W243	G240-G242 PolarHBondContact O-N 2.6Å; G240-W243 PolarHBondContact N-O 2.85Å; G240-W243 VanDerWaalsContact N-O 3.11Å; G240-W243 PolarHBondContact O-N 2.92Å
241	A	92.8	Very high	97.5	Very high	68 Å²	68	65.1 Å²	65.1	56%	0.562	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	18.9	177.8	0	0	0	0	0	116.1	L213	L213-A241 HydrophobicContact CD2-CB 3.82Å
242	G	93	Very high	97.4	Very high	57 Å²	57	57.8 Å²	57.8	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-0.3	-175.2	0	0	0	0	0	114.7	G240	G240-G242 PolarHBondContact O-N 2.6Å
243	W	97.6	Very high	97.1	Very high	152 Å²	152	61.6 Å²	61.6	58%	0.576	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	144.8	172.3	177	90.7	0	0	0	111.4	E238 V239 G240 G245	E238-W243 HydrophobicContact CB-CH2 4.15Å; E238-W243 HydrophobicContact CB-CZ3 3.68Å; V239-W243 WeakPolarHBondContact CA-O 3.42Å; G240-W243 PolarHBondContact N-O 2.85Å; G240-W243 VanDerWaalsContact N-O 3.11Å; G240-W243 PolarHBondContact O-N 2.92Å; W243-G245 VanDerWaalsContact CH2-CA 3.49Å
244	I	98.5	Very high	96.9	Very high	83 Å²	83	61.1 Å²	61.1	43%	0.426	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	126.9	176.9	-60.1	162.5	0	0	0	108.4	L221 F237 E238 V239	L221-I244 HydrophobicContact CB-CD1 4.03Å; L221-I244 HydrophobicContact CB-CG1 4.48Å; L221-I244 HydrophobicContact CD1-CD1 4.26Å; L221-I244 HydrophobicContact CD1-CG2 4.07Å; L221-I244 HydrophobicContact CD2-CG1 4.3Å; L221-I244 HydrophobicContact CD2-CG2 3.81Å; F237-I244 HydrophobicContact CD1-CG2 4.05Å; E238-I244 WeakPolarHBondContact O-CA 3.49Å; V239-I244 HydrophobicContact CB-CG1 4.43Å; V239-I244 HydrophobicContact CG2-CG1 3.85Å
245	G	98.2	Very high	96.7	Very high	14 Å²	14	61 Å²	61	14%	0.144	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.4	174.1	0	0	0	0	0	112	F237 E238 W243	F237-G245 CarbonylContact C-O 3.51Å; F237-G245 WeakPolarHBondContact CA-O 3.47Å; E238-G245 PolarHBondContact N-O 3.4Å; E238-G245 PolarHBondContact O-N 3.3Å; W243-G245 VanDerWaalsContact CH2-CA 3.49Å
246	K	98.7	Very high	96.5	Very high	118 Å²	118	64.4 Å²	64.4	51%	0.513	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.9	176.5	-171	176.2	-173.8	172.6	0	110.6	E232 L236 F237	E232-K246 WeakPolarHBondContact OE1-CE 3.32Å; E232-K246 IonicContact OE1-NZ 3.74Å; E232-K246 PolarHBondContact OE1-NZ 3.38Å; E232-K246 IonicContact OE2-NZ 3.7Å; E232-K246 PolarHBondContact OE2-NZ 3.46Å; L236-K246 WeakPolarHBondContact O-CA 3.16Å; F237-K246 HydrophobicContact CD1-CB 3.91Å; F237-K246 HydrophobicContact CD1-CG 4.17Å; F237-K246 HydrophobicContact CE1-CB 3.7Å; F237-K246 HydrophobicContact CE1-CD 3.9Å; F237-K246 HydrophobicContact CE1-CG 3.75Å; F237-K246 HydrophobicContact CZ-CB 4.49Å; F237-K246 HydrophobicContact CZ-CD 3.91Å; F237-K246 HydrophobicContact CZ-CG 4.05Å
247	L	98.4	Very high	96.3	Very high	35 Å²	35	64.7 Å²	64.7	18%	0.183	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.9	178.5	-70.8	74.7	0	0	0	110.3	I155 Y156 L236 E238	I155-L247 HydrophobicContact CD1-CD2 4.03Å; I155-L247 HydrophobicContact CG2-CD2 3.99Å; Y156-L247 WeakPolarHBondContact OH-CD2 3.42Å; L236-L247 HydrophobicContact CB-CB 4.34Å; L236-L247 HydrophobicContact CD2-CB 3.82Å; L236-L247 HydrophobicContact CD2-CD2 4.1Å; L236-L247 HydrophobicContact CG-CB 3.99Å; L236-L247 PolarHBondContact O-N 3.44Å; E238-L247 HydrophobicContact CB-CD1 3.96Å; E238-L247 HydrophobicContact CG-CD1 3.64Å; E238-L247 HydrophobicContact CG-CD2 4.33Å
248	R	98.2	Very high	95.9	Very high	129 Å²	129	68.2 Å²	68.2	49%	0.487	34%	0.344	S	S	.	.			trans	-154.1	158.2	173.9	60.5	88.1	-176.2	159.4	8.7	110.3	E250	R248-E250 IonicContact CZ-OE1 3.9Å; R248-E250 IonicContact NH1-OE1 3.04Å; R248-E250 PolarHBondContact NH1-OE1 3.01Å; R248-E250 IonicContact NH2-OE1 2.84Å; R248-E250 PolarHBondContact NH2-OE1 2.83Å
249	W	97.8	Very high	95.4	Very high	191 Å²	191	73 Å²	73	72%	0.723	37%	0.366	S	S	*	.			trans	-72.6	145	176.1	-69.8	84.3	0	0	0	112.2
250	E	96.3	Very high	95	Very high	77 Å²	77	76.4 Å²	76.4	36%	0.36	38%	0.381	S	S	.	.			trans	-121.1	142.3	168.5	-170.7	151.4	-97.7	0	0	109.3	R248 F279 A282	R248-E250 IonicContact CZ-OE1 3.9Å; R248-E250 IonicContact NH1-OE1 3.04Å; R248-E250 PolarHBondContact NH1-OE1 3.01Å; R248-E250 IonicContact NH2-OE1 2.84Å; R248-E250 PolarHBondContact NH2-OE1 2.83Å; E250-F279 HydrophobicContact CB-CD1 4.4Å; E250-F279 HydrophobicContact CB-CE1 4.17Å; E250-F279 HydrophobicContact CG-CD1 3.85Å; E250-F279 HydrophobicContact CG-CE1 4.05Å; E250-A282 HydrophobicContact CG-CB 3.31Å
251	R	97.2	Very high	94.7	Very high	80 Å²	80	83.3 Å²	83.3	30%	0.302	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-132	124.8	179.5	-174.9	-179.1	70	169.1	4.7	109.5	A282 S283 P285 S291 S294	R251-A282 WeakPolarHBondContact O-CB 3.27Å; R251-S283 PolarHBondContact N-O 2.78Å; R251-S283 PolarHBondContact O-N 3.5Å; R251-S283 PolarHBondContact O-OG 2.88Å; R251-P285 HydrophobicContact CB-CG 3.93Å; R251-S291 PolarHBondContact NH1-OG 2.95Å; R251-S294 PolarHBondContact NH2-OG 2.74Å; R251-S294 VanDerWaalsContact NH2-OG 3.09Å
252	T	96.4	Very high	94.6	Very high	23 Å²	23	85.5 Å²	85.5	14%	0.141	41%	0.414	C	S	.	.			trans	-51.9	159	172.9	66.6	0	0	0	0	111	G254 I276 D278 F279	T252-G254 PolarHBondContact O-N 3.47Å; T252-G254 PolarHBondContact OG1-N 3.5Å; T252-I276 WeakPolarHBondContact CB-O 3.14Å; T252-I276 WeakPolarHBondContact CG2-O 3.34Å; T252-I276 PolarHBondContact OG1-O 3.16Å; T252-D278 WeakPolarHBondContact CB-O 3.5Å; T252-D278 WeakPolarHBondContact CG2-O 3.39Å; T252-F279 HydrophobicContact CG2-CD1 4Å; T252-F279 HydrophobicContact CG2-CD2 3.6Å; T252-F279 HydrophobicContact CG2-CE1 3.93Å; T252-F279 HydrophobicContact CG2-CE2 3.52Å; T252-F279 HydrophobicContact CG2-CG 3.84Å; T252-F279 HydrophobicContact CG2-CZ 3.7Å
253	L	92.5	Very high	94.6	Very high	129 Å²	129	88.2 Å²	88.2	68%	0.675	42%	0.422	S	S	*	.			trans	-64.4	-22.9	168.6	-63.8	-179.5	0	0	0	111.4	N281	L253-N281 HydrophobicContact CD1-CB 4.37Å
254	G	94.1	Very high	94.5	Very high	21 Å²	21	86 Å²	86	22%	0.216	42%	0.419	C	S	.	.			trans	72.2	-162.8	178.2	0	0	0	0	0	112.9	T252	T252-G254 PolarHBondContact O-N 3.47Å; T252-G254 PolarHBondContact OG1-N 3.5Å
255	A	93.8	Very high	94.4	Very high	29 Å²	29	84.6 Å²	84.6	24%	0.24	42%	0.415	C	S	.	.			trans	-144	138.6	176.3	0	0	0	0	0	110.4	V257 N272 K275 I276	A255-V257 HydrophobicContact CB-CG1 4.11Å; A255-V257 PolarHBondContact O-N 3.13Å; A255-N272 HydrophobicContact CB-CB 4.26Å; A255-K275 HydrophobicContact CB-CB 4.34Å; A255-K275 HydrophobicContact CB-CD 3.88Å; A255-K275 HydrophobicContact CB-CG 4.02Å; A255-I276 HydrophobicContact CB-CG1 3.85Å
256	I	94.8	Very high	94.4	Very high	73 Å²	73	88.7 Å²	88.7	37%	0.374	44%	0.438	S	S	.	.			trans	-79.6	107.6	164.6	-57.8	178.5	0	0	0	106.9	V298 K301 I302	I256-V298 HydrophobicContact CD1-CB 4.37Å; I256-V298 HydrophobicContact CD1-CG1 3.9Å; I256-V298 HydrophobicContact CD1-CG2 4.09Å; I256-V298 HydrophobicContact CG1-CG1 3.81Å; I256-V298 HydrophobicContact CG1-CG2 4.11Å; I256-V298 HydrophobicContact CG2-CG1 4.3Å; I256-K301 HydrophobicContact CD1-CB 4.24Å; I256-K301 HydrophobicContact CD1-CD 4.24Å; I256-I302 HydrophobicContact CG2-CD1 3.67Å; I256-I302 HydrophobicContact CG2-CG1 3.63Å
257	V	94.3	Very high	94.3	Very high	24 Å²	24	89.1 Å²	89.1	15%	0.145	44%	0.442	C	S	.	.			trans	-100.4	-9.4	-176.2	-65.8	0	0	0	0	113.7	A255 M264 V269 N272 I276	A255-V257 HydrophobicContact CB-CG1 4.11Å; A255-V257 PolarHBondContact O-N 3.13Å; V257-M264 HydrophobicContact CG2-CE 3.38Å; V257-M264 HydrophobicContact CG2-CG 4.33Å; V257-M264 HydrophobicContact CG2-SD 3.86Å; V257-V269 HydrophobicContact CG2-CG2 4.28Å; V257-N272 HydrophobicContact CG1-CB 3.7Å; V257-I276 HydrophobicContact CG1-CD1 4.06Å
258	R	91.1	Very high	94.2	Very high	92 Å²	92	88.7 Å²	88.7	35%	0.347	44%	0.444	S	S	.	.			trans	-94.2	141.9	175.3	-176.4	-176.5	73.5	137.9	4.3	109.6	M264 I302	R258-M264 HydrophobicContact CB-CB 4.21Å; R258-M264 HydrophobicContact CG-CB 4.23Å; R258-I302 HydrophobicContact CB-CD1 4.43Å
259	Q	88.4	Confident	94.2	Very high	127 Å²	127	84.4 Å²	84.4	59%	0.593	43%	0.432	S	S	*	.			trans	-107.8	154.5	169.7	-65.1	177.1	-3.2	0	0	110.8	N261 H262	Q259-N261 PolarHBondContact O-N 2.86Å; Q259-H262 HydrophobicContact CB-CB 4.15Å; Q259-H262 PolarHBondContact O-N 3.5Å
260	K	88.5	Confident	94.2	Very high	74 Å²	74	83.8 Å²	83.8	32%	0.322	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	136.5	176	-167.7	177.8	-175.5	174.3	0	110.1	H262 I302 D303	K260-H262 PolarHBondContact O-N 2.73Å; K260-H262 PolarHBondContact O-ND1 3.13Å; K260-I302 HydrophobicContact CB-CG2 4.11Å; K260-D303 PolarHBondContact NZ-O 3Å
261	N	88.9	Confident	94.2	Very high	153 Å²	153	84 Å²	84	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	11.4	179.9	-55.6	-25.1	0	0	0	116	Q259	Q259-N261 PolarHBondContact O-N 2.86Å
262	H	89.9	Confident	94.1	Very high	114 Å²	114	82.8 Å²	82.8	53%	0.528	45%	0.449	S	S	.	.	S	Bend	trans	-119	133.2	175.5	-64	80.8	0	0	0	109.8	Q259 K260 M264	Q259-H262 HydrophobicContact CB-CB 4.15Å; Q259-H262 PolarHBondContact O-N 3.5Å; K260-H262 PolarHBondContact O-N 2.73Å; K260-H262 PolarHBondContact O-ND1 3.13Å; H262-M264 PolarHBondContact O-N 2.94Å
263	P	92.5	Very high	94.2	Very high	115 Å²	115	89.1 Å²	89.1	75%	0.747	47%	0.471	S	S	*	.			trans	-57.2	137	171.4	-24.3	34.2	0	0	0	111.2
264	M	96.3	Very high	94.4	Very high	106 Å²	106	92 Å²	92	52%	0.522	48%	0.478	S	S	.	.			trans	-70.8	130.7	169.9	177.3	174.5	164.9	0	0	109	V257 R258 H262 V269	V257-M264 HydrophobicContact CG2-CE 3.38Å; V257-M264 HydrophobicContact CG2-CG 4.33Å; V257-M264 HydrophobicContact CG2-SD 3.86Å; R258-M264 HydrophobicContact CB-CB 4.21Å; R258-M264 HydrophobicContact CG-CB 4.23Å; H262-M264 PolarHBondContact O-N 2.94Å; M264-V269 HydrophobicContact CE-CG2 3.49Å; M264-V269 VanDerWaalsContact CE-CG2 3.49Å
265	T	96.6	Very high	94.3	Very high	53 Å²	53	97 Å²	97	33%	0.325	49%	0.493	S	S	.	.			trans	-118	155.4	-178.8	86.5	0	0	0	0	112.3	E267 A268 V269	T265-E267 WeakPolarHBondContact CB-OE2 3.25Å; T265-E267 PolarHBondContact O-N 3.46Å; T265-E267 PolarHBondContact OG1-N 2.91Å; T265-E267 PolarHBondContact OG1-OE2 3.44Å; T265-A268 PolarHBondContact O-N 2.83Å; T265-A268 PolarHBondContact OG1-N 3.01Å; T265-V269 PolarHBondContact O-N 2.71Å
266	P	97.3	Very high	94.4	Very high	99 Å²	99	97.7 Å²	97.7	64%	0.643	49%	0.493	S	S	*	.	H	α-helix	trans	-58.1	-32.8	171.8	-25.2	35.7	0	0	0	113.6	V269 K270	P266-V269 WeakPolarHBondContact O-CB 3.33Å; P266-V269 PolarHBondContact O-N 3.34Å; P266-K270 PolarHBondContact O-N 2.65Å
267	E	97.9	Very high	94.6	Very high	127 Å²	127	97 Å²	97	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-40	178.3	-60.3	68.9	-147.5	0	0	111.2	T265 V269 K270 A271	T265-E267 WeakPolarHBondContact CB-OE2 3.25Å; T265-E267 PolarHBondContact O-N 3.46Å; T265-E267 PolarHBondContact OG1-N 2.91Å; T265-E267 PolarHBondContact OG1-OE2 3.44Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.47Å; E267-K270 PolarHBondContact O-N 3.13Å; E267-A271 WeakPolarHBondContact O-CB 3.4Å; E267-A271 PolarHBondContact O-N 2.99Å
268	A	95.4	Very high	94.6	Very high	27 Å²	27	99.4 Å²	99.4	22%	0.223	51%	0.506	C	S	.	.	H	α-helix	trans	-64.2	-37	174.8	0	0	0	0	0	112	T265 N272	T265-A268 PolarHBondContact O-N 2.83Å; T265-A268 PolarHBondContact OG1-N 3.01Å; A268-N272 PolarHBondContact O-N 2.7Å; A268-N272 PolarHBondContact O-ND2 2.95Å
269	V	97.6	Very high	94.8	Very high	39 Å²	39	100.4 Å²	100.4	24%	0.236	51%	0.513	C	S	.	.	H	α-helix	trans	-63	-50.7	172.6	177.8	0	0	0	0	110.4	V257 M264 T265 P266 E267 A271 N272 W273 I276	V257-V269 HydrophobicContact CG2-CG2 4.28Å; M264-V269 HydrophobicContact CE-CG2 3.49Å; M264-V269 VanDerWaalsContact CE-CG2 3.49Å; T265-V269 PolarHBondContact O-N 2.71Å; P266-V269 WeakPolarHBondContact O-CB 3.33Å; P266-V269 PolarHBondContact O-N 3.34Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.47Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 2.88Å; V269-N272 CarbonylContact O-C 3.49Å; V269-N272 PolarHBondContact O-N 2.67Å; V269-N272 VanDerWaalsContact O-N 3.12Å; V269-W273 HydrophobicContact CG1-CE3 4.41Å; V269-W273 PolarHBondContact O-N 3.34Å; V269-I276 HydrophobicContact CG1-CD1 4.12Å
270	K	97.4	Very high	94.9	Very high	177 Å²	177	100.8 Å²	100.8	77%	0.77	51%	0.514	S	S	*	.	H	α-helix	trans	-57.2	-45.1	178	-179.9	-177.2	175.4	-176.4	0	111.7	P266 E267 N272 W273	P266-K270 PolarHBondContact O-N 2.65Å; E267-K270 PolarHBondContact O-N 3.13Å; K270-N272 PolarHBondContact O-N 2.92Å; K270-W273 WeakPolarHBondContact O-CB 3.41Å; K270-W273 PolarHBondContact O-N 2.93Å
271	A	96.4	Very high	95	Very high	83 Å²	83	103.2 Å²	103.2	69%	0.686	53%	0.531	S	S	*	.	H	α-helix	trans	-61.4	-29.8	179.6	0	0	0	0	0	112.9	E267 V269	E267-A271 WeakPolarHBondContact O-CB 3.4Å; E267-A271 PolarHBondContact O-N 2.99Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 2.88Å
272	N	96.5	Very high	94.9	Very high	54 Å²	54	96.8 Å²	96.8	29%	0.289	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.5	-179.7	-72.3	-82.6	0	0	0	113.7	A255 V257 A268 V269 K270 K274 K275 I276	A255-N272 HydrophobicContact CB-CB 4.26Å; V257-N272 HydrophobicContact CG1-CB 3.7Å; A268-N272 PolarHBondContact O-N 2.7Å; A268-N272 PolarHBondContact O-ND2 2.95Å; V269-N272 CarbonylContact O-C 3.49Å; V269-N272 PolarHBondContact O-N 2.67Å; V269-N272 VanDerWaalsContact O-N 3.12Å; K270-N272 PolarHBondContact O-N 2.92Å; N272-K274 VanDerWaalsContact C-N 3.3Å; N272-K274 PolarHBondContact O-N 3.35Å; N272-K275 WeakPolarHBondContact O-CB 3.24Å; N272-K275 PolarHBondContact O-N 3.1Å; N272-I276 HydrophobicContact CB-CD1 4.33Å; N272-I276 WeakPolarHBondContact O-CG1 3.23Å; N272-I276 PolarHBondContact O-N 3.28Å
273	W	98	Very high	94.8	Very high	155 Å²	155	93.1 Å²	93.1	59%	0.587	49%	0.486	S	S	*	.	H	α-helix	trans	-56.3	-42.4	-171.2	-174.2	-110	0	0	0	113.2	V269 K270 K275 I276 C277	V269-W273 HydrophobicContact CG1-CE3 4.41Å; V269-W273 PolarHBondContact O-N 3.34Å; K270-W273 WeakPolarHBondContact O-CB 3.41Å; K270-W273 PolarHBondContact O-N 2.93Å; W273-K275 VanDerWaalsContact C-N 3.28Å; W273-K275 PolarHBondContact O-N 2.74Å; W273-I276 HydrophobicContact CE3-CD1 4.41Å; W273-I276 HydrophobicContact CZ3-CG2 4.49Å; W273-I276 PolarHBondContact O-N 3.11Å; W273-C277 WeakPolarHBondContact CZ2-SG 3.41Å; W273-C277 PolarHBondContact O-N 3.12Å
274	K	96.8	Very high	95	Very high	191 Å²	191	94 Å²	94	83%	0.83	48%	0.478	S	S	*	.	H	α-helix	trans	-57.8	-41	176.9	-172.4	178.6	178.9	-176.3	0	112.1	N272 D278	N272-K274 VanDerWaalsContact C-N 3.3Å; N272-K274 PolarHBondContact O-N 3.35Å; K274-D278 PolarHBondContact O-N 3.42Å
275	K	90.9	Very high	94.7	Very high	124 Å²	124	90.7 Å²	90.7	54%	0.539	47%	0.465	S	S	.	.	H	α-helix	trans	-72.4	-38.5	178.5	-173.4	177.1	177.8	176.5	0	111.9	A255 N272 W273 C277 D278	A255-K275 HydrophobicContact CB-CB 4.34Å; A255-K275 HydrophobicContact CB-CD 3.88Å; A255-K275 HydrophobicContact CB-CG 4.02Å; N272-K275 WeakPolarHBondContact O-CB 3.24Å; N272-K275 PolarHBondContact O-N 3.1Å; W273-K275 VanDerWaalsContact C-N 3.28Å; W273-K275 PolarHBondContact O-N 2.74Å; K275-C277 VanDerWaalsContact C-N 3.27Å; K275-C277 PolarHBondContact O-N 2.99Å; K275-D278 PolarHBondContact O-N 2.95Å
276	I	97.3	Very high	94.3	Very high	44 Å²	44	96.5 Å²	96.5	23%	0.226	49%	0.488	C	S	.	.	H	α-helix	trans	-60.9	-40	176.3	-66.3	167.2	0	0	0	110.8	T252 A255 V257 V269 N272 W273	T252-I276 WeakPolarHBondContact CB-O 3.14Å; T252-I276 WeakPolarHBondContact CG2-O 3.34Å; T252-I276 PolarHBondContact OG1-O 3.16Å; A255-I276 HydrophobicContact CB-CG1 3.85Å; V257-I276 HydrophobicContact CG1-CD1 4.06Å; V269-I276 HydrophobicContact CG1-CD1 4.12Å; N272-I276 HydrophobicContact CB-CD1 4.33Å; N272-I276 WeakPolarHBondContact O-CG1 3.23Å; N272-I276 PolarHBondContact O-N 3.28Å; W273-I276 HydrophobicContact CE3-CD1 4.41Å; W273-I276 HydrophobicContact CZ3-CG2 4.49Å; W273-I276 PolarHBondContact O-N 3.11Å
277	C	97.8	Very high	93.7	Very high	58 Å²	58	93.7 Å²	93.7	39%	0.392	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.1	-178.1	-62.5	0	0	0	0	114.4	W273 K275 F279	W273-C277 WeakPolarHBondContact CZ2-SG 3.41Å; W273-C277 PolarHBondContact O-N 3.12Å; K275-C277 VanDerWaalsContact C-N 3.27Å; K275-C277 PolarHBondContact O-N 2.99Å; C277-F279 WeakPolarHBondContact O-CD2 3.25Å
278	D	94.3	Very high	93.3	Very high	75 Å²	75	93.7 Å²	93.7	40%	0.401	47%	0.474	S	S	.	.			trans	-84.1	116.5	-179.7	-172.1	5.3	0	0	0	111.7	T252 K274 K275 E280	T252-D278 WeakPolarHBondContact CB-O 3.5Å; T252-D278 WeakPolarHBondContact CG2-O 3.39Å; K274-D278 PolarHBondContact O-N 3.42Å; K275-D278 PolarHBondContact O-N 2.95Å; D278-E280 WeakPolarHBondContact OD1-CB 3.42Å; D278-E280 PolarHBondContact OD1-N 3.11Å
279	F	96.6	Very high	92.3	Very high	113 Å²	113	99.2 Å²	99.2	50%	0.496	50%	0.495	S	S	.	.			trans	-91.8	1.4	179	-80.5	-94.4	0	0	0	113.4	E250 T252 C277 N281 A282	E250-F279 HydrophobicContact CB-CD1 4.4Å; E250-F279 HydrophobicContact CB-CE1 4.17Å; E250-F279 HydrophobicContact CG-CD1 3.85Å; E250-F279 HydrophobicContact CG-CE1 4.05Å; T252-F279 HydrophobicContact CG2-CD1 4Å; T252-F279 HydrophobicContact CG2-CD2 3.6Å; T252-F279 HydrophobicContact CG2-CE1 3.93Å; T252-F279 HydrophobicContact CG2-CE2 3.52Å; T252-F279 HydrophobicContact CG2-CG 3.84Å; T252-F279 HydrophobicContact CG2-CZ 3.7Å; C277-F279 WeakPolarHBondContact O-CD2 3.25Å; F279-N281 PolarHBondContact O-N 3.46Å; F279-A282 HydrophobicContact CB-CB 4.5Å; F279-A282 HydrophobicContact CD1-CB 4.05Å; F279-A282 VanDerWaalsContact O-CB 3.31Å; F279-A282 WeakPolarHBondContact O-CB 3.47Å; F279-A282 PolarHBondContact O-N 3.07Å
280	E	90.4	Very high	91.4	Very high	135 Å²	135	101.5 Å²	101.5	63%	0.631	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	128.9	170.7	-159	-175.5	151.4	0	0	110.1	D278 A282	D278-E280 WeakPolarHBondContact OD1-CB 3.42Å; D278-E280 PolarHBondContact OD1-N 3.11Å; E280-A282 PolarHBondContact O-N 3.44Å
281	N	89.3	Confident	90.8	Very high	126 Å²	126	95 Å²	95	67%	0.674	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	27.7	-176.5	-54.6	-58.5	0	0	0	115	L253 F279	L253-N281 HydrophobicContact CD1-CB 4.37Å; F279-N281 PolarHBondContact O-N 3.46Å
282	A	88.3	Confident	89.9	Confident	17 Å²	17	94.2 Å²	94.2	14%	0.14	47%	0.467	C	S	.	.			trans	-57.5	146.5	-179.3	0	0	0	0	0	113.9	E250 R251 F279 E280	E250-A282 HydrophobicContact CG-CB 3.31Å; R251-A282 WeakPolarHBondContact O-CB 3.27Å; F279-A282 HydrophobicContact CB-CB 4.5Å; F279-A282 HydrophobicContact CD1-CB 4.05Å; F279-A282 VanDerWaalsContact O-CB 3.31Å; F279-A282 WeakPolarHBondContact O-CB 3.47Å; F279-A282 PolarHBondContact O-N 3.07Å; E280-A282 PolarHBondContact O-N 3.44Å
283	S	86.9	Confident	88.9	Confident	37 Å²	37	93.4 Å²	93.4	26%	0.259	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-81.1	159.4	177.8	67.5	0	0	0	0	112.1	R251 P285	R251-S283 PolarHBondContact N-O 2.78Å; R251-S283 PolarHBondContact O-N 3.5Å; R251-S283 PolarHBondContact O-OG 2.88Å; S283-P285 VanDerWaalsContact C-CD 3.43Å; S283-P285 VanDerWaalsContact O-CD 3.29Å; S283-P285 WeakPolarHBondContact O-CD 3.19Å
284	K	96.6	Very high	88	Confident	133 Å²	133	88 Å²	88	58%	0.578	46%	0.456	S	S	*	.			trans	-119.9	65.1	-178.2	-46.5	-176.3	-178.9	163.8	0	110.1	Q286	K284-Q286 WeakPolarHBondContact O-CG 3.27Å; K284-Q286 PolarHBondContact O-N 3.14Å
285	P	89.6	Confident	87.4	Confident	38 Å²	38	83.9 Å²	83.9	25%	0.247	44%	0.443	C	S	.	.			trans	-59.2	134.6	-171.9	25.6	-34.7	0	0	0	111.3	R251 S283	R251-P285 HydrophobicContact CB-CG 3.93Å; S283-P285 VanDerWaalsContact C-CD 3.43Å; S283-P285 VanDerWaalsContact O-CD 3.29Å; S283-P285 WeakPolarHBondContact O-CD 3.19Å
286	Q	88.1	Confident	86.8	Confident	174 Å²	174	83 Å²	83	81%	0.813	44%	0.443	S	S	*	.			trans	-110.7	-15	-175.4	-57.8	-168.3	-37.4	0	0	113.6	K284 E290	K284-Q286 WeakPolarHBondContact O-CG 3.27Å; K284-Q286 PolarHBondContact O-N 3.14Å; Q286-E290 PolarHBondContact N-OE2 2.85Å
287	S	86	Confident	85.7	Confident	40 Å²	40	85.5 Å²	85.5	28%	0.28	45%	0.454	S	S	.	.	S	Bend	trans	-147.3	160.4	-174.5	66	0	0	0	0	112.8	Q289 E290 S291	S287-Q289 VanDerWaalsContact C-N 3.27Å; S287-Q289 PolarHBondContact O-N 2.95Å; S287-E290 VanDerWaalsContact OG-CD 3.31Å; S287-E290 WeakPolarHBondContact OG-CG 3.39Å; S287-E290 PolarHBondContact OG-N 3.49Å; S287-E290 PolarHBondContact OG-OE1 3.45Å; S287-S291 PolarHBondContact O-N 2.9Å
288	I	88	Confident	85	Confident	127 Å²	127	85 Å²	85	65%	0.651	45%	0.449	S	S	*	.	H	α-helix	trans	-63.8	-38.1	172.8	-65.3	175.6	0	0	0	109.8	E290 S291 T292	I288-E290 PolarHBondContact O-N 2.96Å; I288-S291 WeakPolarHBondContact O-CB 3.32Å; I288-S291 PolarHBondContact O-N 2.93Å; I288-S291 VanDerWaalsContact O-N 3.14Å; I288-T292 PolarHBondContact O-N 3.07Å; I288-T292 PolarHBondContact O-OG1 2.86Å
289	Q	76.3	Confident	84.3	Confident	144 Å²	144	85.6 Å²	85.6	67%	0.673	45%	0.451	S	S	*	.	H	α-helix	trans	-61.2	-44.1	-179	-68.3	76.2	8.8	0	0	112.3	S287 S291 T292 G293	S287-Q289 VanDerWaalsContact C-N 3.27Å; S287-Q289 PolarHBondContact O-N 2.95Å; Q289-S291 VanDerWaalsContact C-N 3.32Å; Q289-S291 PolarHBondContact O-N 3.01Å; Q289-T292 PolarHBondContact O-N 3.19Å; Q289-G293 PolarHBondContact O-N 3.3Å
290	E	78.4	Confident	83.3	Confident	86 Å²	86	83.2 Å²	83.2	40%	0.402	45%	0.449	S	S	.	.	H	α-helix	trans	-59.4	-44.5	173.4	-78.3	158.5	-125.2	0	0	111.6	Q286 S287 I288 G293 S294	Q286-E290 PolarHBondContact N-OE2 2.85Å; S287-E290 VanDerWaalsContact OG-CD 3.31Å; S287-E290 WeakPolarHBondContact OG-CG 3.39Å; S287-E290 PolarHBondContact OG-N 3.49Å; S287-E290 PolarHBondContact OG-OE1 3.45Å; I288-E290 PolarHBondContact O-N 2.96Å; E290-G293 PolarHBondContact O-N 3.11Å; E290-S294 PolarHBondContact O-N 3.09Å; E290-S294 PolarHBondContact O-OG 2.93Å; E290-S294 VanDerWaalsContact O-OG 3.07Å
291	S	83.4	Confident	82.6	Confident	40 Å²	40	81.1 Å²	81.1	28%	0.28	44%	0.438	S	S	.	.	H	α-helix	trans	-63.1	-49.6	179.6	-170.9	0	0	0	0	111.9	R251 S287 I288 Q289 G293 S294 I295	R251-S291 PolarHBondContact NH1-OG 2.95Å; S287-S291 PolarHBondContact O-N 2.9Å; I288-S291 WeakPolarHBondContact O-CB 3.32Å; I288-S291 PolarHBondContact O-N 2.93Å; I288-S291 VanDerWaalsContact O-N 3.14Å; Q289-S291 VanDerWaalsContact C-N 3.32Å; Q289-S291 PolarHBondContact O-N 3.01Å; S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 3.34Å; S291-S294 PolarHBondContact O-N 3.22Å; S291-I295 WeakPolarHBondContact O-CG1 3.28Å; S291-I295 PolarHBondContact O-N 2.93Å
292	T	78.4	Confident	82.2	Confident	68 Å²	68	75.4 Å²	75.4	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-41.2	176.9	-59.4	0	0	0	0	111.7	I288 Q289 S294 I295 I296	I288-T292 PolarHBondContact O-N 3.07Å; I288-T292 PolarHBondContact O-OG1 2.86Å; Q289-T292 PolarHBondContact O-N 3.19Å; T292-S294 PolarHBondContact O-N 3.36Å; T292-I295 PolarHBondContact O-N 2.89Å; T292-I295 VanDerWaalsContact O-N 3.13Å; T292-I296 HydrophobicContact CG2-CD1 3.98Å; T292-I296 HydrophobicContact CG2-CG1 4.48Å; T292-I296 WeakPolarHBondContact O-CG1 3.45Å; T292-I296 PolarHBondContact O-N 3.24Å
293	G	75.6	Confident	81.6	Confident	36 Å²	36	78.9 Å²	78.9	37%	0.371	42%	0.423	S	S	.	.	H	α-helix	trans	-57.6	-45.9	176.1	0	0	0	0	0	112.3	Q289 E290 S291 I295 I296 E297	Q289-G293 PolarHBondContact O-N 3.3Å; E290-G293 PolarHBondContact O-N 3.11Å; S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 3.34Å; G293-I295 VanDerWaalsContact C-N 3.29Å; G293-I295 PolarHBondContact O-N 2.95Å; G293-I296 PolarHBondContact O-N 2.91Å; G293-E297 PolarHBondContact O-N 3.45Å
294	S	78.7	Confident	80.7	Confident	41 Å²	41	81.8 Å²	81.8	29%	0.287	44%	0.443	S	S	.	.	H	α-helix	trans	-59.7	-38.5	175.2	-53.3	0	0	0	0	112.6	R251 E290 S291 T292 E297 V298	R251-S294 PolarHBondContact NH2-OG 2.74Å; R251-S294 VanDerWaalsContact NH2-OG 3.09Å; E290-S294 PolarHBondContact O-N 3.09Å; E290-S294 PolarHBondContact O-OG 2.93Å; E290-S294 VanDerWaalsContact O-OG 3.07Å; S291-S294 PolarHBondContact O-N 3.22Å; T292-S294 PolarHBondContact O-N 3.36Å; S294-E297 PolarHBondContact O-N 3.15Å; S294-V298 WeakPolarHBondContact O-CG2 3.47Å; S294-V298 PolarHBondContact O-N 3.35Å; S294-V298 VanDerWaalsContact O-N 3.14Å
295	I	83.8	Confident	78.5	Confident	105 Å²	105	82.5 Å²	82.5	54%	0.538	45%	0.449	S	S	.	.	H	α-helix	trans	-67.7	-42	179.1	-65.3	167.5	0	0	0	110.9	S291 T292 G293 E297 V298 L299	S291-I295 WeakPolarHBondContact O-CG1 3.28Å; S291-I295 PolarHBondContact O-N 2.93Å; T292-I295 PolarHBondContact O-N 2.89Å; T292-I295 VanDerWaalsContact O-N 3.13Å; G293-I295 VanDerWaalsContact C-N 3.29Å; G293-I295 PolarHBondContact O-N 2.95Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 2.85Å; I295-V298 WeakPolarHBondContact O-CB 3.16Å; I295-V298 PolarHBondContact O-N 3.21Å; I295-L299 PolarHBondContact O-N 3.35Å
296	I	78.1	Confident	76	Confident	105 Å²	105	82.6 Å²	82.6	54%	0.538	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-40.8	176.6	-67	169.1	0	0	0	110.6	T292 G293 V298 L299 S300	T292-I296 HydrophobicContact CG2-CD1 3.98Å; T292-I296 HydrophobicContact CG2-CG1 4.48Å; T292-I296 WeakPolarHBondContact O-CG1 3.45Å; T292-I296 PolarHBondContact O-N 3.24Å; G293-I296 PolarHBondContact O-N 2.91Å; I296-V298 VanDerWaalsContact C-N 3.29Å; I296-V298 PolarHBondContact O-N 3.02Å; I296-L299 WeakPolarHBondContact O-CB 3.43Å; I296-L299 PolarHBondContact O-N 3.34Å; I296-L299 VanDerWaalsContact O-N 3.11Å; I296-S300 PolarHBondContact O-N 3.25Å
297	E	75.5	Confident	73.4	Confident	98 Å²	98	81.4 Å²	81.4	46%	0.458	46%	0.461	S	S	.	.	H	α-helix	trans	-59.5	-40.5	176.1	-167.2	-170.3	154.6	0	0	111.6	G293 S294 I295 L299 S300 K301	G293-E297 PolarHBondContact O-N 3.45Å; S294-E297 PolarHBondContact O-N 3.15Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 2.85Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.32Å; E297-S300 PolarHBondContact O-N 2.81Å; E297-S300 PolarHBondContact O-OG 3.49Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 2.65Å; E297-K301 WeakPolarHBondContact OE1-CE 3.49Å; E297-K301 IonicContact OE1-NZ 2.81Å; E297-K301 PolarHBondContact OE1-NZ 2.98Å
298	V	83.4	Confident	70.7	Confident	48 Å²	48	84.8 Å²	84.8	29%	0.291	49%	0.485	S	S	.	.	H	α-helix	trans	-59.2	-38.7	174.9	166.9	0	0	0	0	112.1	I256 S294 I295 I296 K301 I302	I256-V298 HydrophobicContact CD1-CB 4.37Å; I256-V298 HydrophobicContact CD1-CG1 3.9Å; I256-V298 HydrophobicContact CD1-CG2 4.09Å; I256-V298 HydrophobicContact CG1-CG1 3.81Å; I256-V298 HydrophobicContact CG1-CG2 4.11Å; I256-V298 HydrophobicContact CG2-CG1 4.3Å; S294-V298 WeakPolarHBondContact O-CG2 3.47Å; S294-V298 PolarHBondContact O-N 3.35Å; S294-V298 VanDerWaalsContact O-N 3.14Å; I295-V298 WeakPolarHBondContact O-CB 3.16Å; I295-V298 PolarHBondContact O-N 3.21Å; I296-V298 VanDerWaalsContact C-N 3.29Å; I296-V298 PolarHBondContact O-N 3.02Å; V298-K301 PolarHBondContact O-N 3.35Å; V298-I302 HydrophobicContact CG1-CD1 3.82Å; V298-I302 HydrophobicContact CG1-CG1 4.47Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.22Å; V298-I302 VanDerWaalsContact O-N 3.1Å
299	L	77.9	Confident	67.9	Low	86 Å²	86	83.4 Å²	83.4	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-49	176.2	-65.2	173.1	0	0	0	111.1	I295 I296 E297 K301 I302 D303	I295-L299 PolarHBondContact O-N 3.35Å; I296-L299 WeakPolarHBondContact O-CB 3.43Å; I296-L299 PolarHBondContact O-N 3.34Å; I296-L299 VanDerWaalsContact O-N 3.11Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.32Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 2.85Å; L299-I302 PolarHBondContact O-N 2.91Å; L299-D303 PolarHBondContact O-N 3.29Å
300	S	77.4	Confident	65.6	Low	63 Å²	63	83 Å²	83	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-37.9	178.8	70.7	0	0	0	0	112.7	I296 E297 D303 S304	I296-S300 PolarHBondContact O-N 3.25Å; E297-S300 PolarHBondContact O-N 2.81Å; E297-S300 PolarHBondContact O-OG 3.49Å; S300-D303 PolarHBondContact O-N 2.95Å; S300-S304 WeakPolarHBondContact O-CB 3.48Å; S300-S304 PolarHBondContact O-N 2.93Å; S300-S304 VanDerWaalsContact O-N 3.12Å; S300-S304 PolarHBondContact O-OG 3.12Å
301	K	75.8	Confident	63.4	Low	92 Å²	92	87 Å²	87	40%	0.4	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-47.6	176.7	-73.8	175.8	179.4	170.1	0	111.6	I256 E297 V298 L299 D303 S304 E305	I256-K301 HydrophobicContact CD1-CB 4.24Å; I256-K301 HydrophobicContact CD1-CD 4.24Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 2.65Å; E297-K301 WeakPolarHBondContact OE1-CE 3.49Å; E297-K301 IonicContact OE1-NZ 2.81Å; E297-K301 PolarHBondContact OE1-NZ 2.98Å; V298-K301 PolarHBondContact O-N 3.35Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 2.85Å; K301-D303 VanDerWaalsContact C-N 3.31Å; K301-D303 PolarHBondContact O-N 3.25Å; K301-S304 PolarHBondContact O-N 3.23Å; K301-E305 PolarHBondContact O-N 3.08Å
302	I	81	Confident	61.1	Low	5 Å²	5	91.4 Å²	91.4	3%	0.026	54%	0.538	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.1	-63.7	164.6	0	0	0	111	I256 R258 K260 V298 L299 S304	I256-I302 HydrophobicContact CG2-CD1 3.67Å; I256-I302 HydrophobicContact CG2-CG1 3.63Å; R258-I302 HydrophobicContact CB-CD1 4.43Å; K260-I302 HydrophobicContact CB-CG2 4.11Å; V298-I302 HydrophobicContact CG1-CD1 3.82Å; V298-I302 HydrophobicContact CG1-CG1 4.47Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.22Å; V298-I302 VanDerWaalsContact O-N 3.1Å; L299-I302 PolarHBondContact O-N 2.91Å; I302-S304 VanDerWaalsContact C-N 3.26Å; I302-S304 PolarHBondContact O-N 2.9Å
303	D	75.2	Confident	58.7	Low	91 Å²	91	93.3 Å²	93.3	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-69.6	-25.5	-179.2	-69.6	-22.7	0	0	0	112.7	K260 L299 S300 K301	K260-D303 PolarHBondContact NZ-O 3Å; L299-D303 PolarHBondContact O-N 3.29Å; S300-D303 PolarHBondContact O-N 2.95Å; K301-D303 VanDerWaalsContact C-N 3.31Å; K301-D303 PolarHBondContact O-N 3.25Å
304	S	66.7	Low	57	Low	97 Å²	97	101.4 Å²	101.4	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-79.1	-25	-178.8	-55.6	0	0	0	0	114.1	S300 K301 I302 G306	S300-S304 WeakPolarHBondContact O-CB 3.48Å; S300-S304 PolarHBondContact O-N 2.93Å; S300-S304 VanDerWaalsContact O-N 3.12Å; S300-S304 PolarHBondContact O-OG 3.12Å; K301-S304 PolarHBondContact O-N 3.23Å; I302-S304 VanDerWaalsContact C-N 3.26Å; I302-S304 PolarHBondContact O-N 2.9Å; S304-G306 PolarHBondContact O-N 3.27Å
305	E	52.3	Low	54.4	Low	148 Å²	148	103.1 Å²	103.1	69%	0.692	60%	0.599	S	S	*	*	S	Bend	trans	-78.7	18.9	-174.3	-72.4	179.1	172.4	0	0	114.7	K301	K301-E305 PolarHBondContact O-N 3.08Å
306	G	35.8	Very low	52.2	Low	41 Å²	41	105.4 Å²	105.4	42%	0.423	62%	0.618	S	S	.	*			trans	-100.5	18.1	-165.7	0	0	0	0	0	119	S304	S304-G306 PolarHBondContact O-N 3.27Å
307	V	33.1	Very low	49.6	Very low	148 Å²	148	105.3 Å²	105.3	90%	0.897	63%	0.626	S	S	*	*			trans	-114.8	84.4	174.2	-167.5	0	0	0	0	110.3
308	S	29.1	Very low	47.7	Very low	111 Å²	111	107.6 Å²	107.6	78%	0.776	65%	0.648	S	S	*	*			trans	-132.5	114.9	164	177.3	0	0	0	0	107.8
309	A	31.1	Very low	45.1	Very low	98 Å²	98	109.4 Å²	109.4	81%	0.81	67%	0.668	S	S	*	*			trans	-101.6	118	172.8	0	0	0	0	0	109
310	N	27.9	Very low	43.3	Very low	137 Å²	137	111.1 Å²	111.1	73%	0.733	68%	0.682	S	S	*	*			trans	-69.2	135.3	162.2	-79.5	-24.6	0	0	0	109.7
311	H	30.6	Very low	41.9	Very low	169 Å²	169	112.4 Å²	112.4	78%	0.782	69%	0.691	S	S	*	*				168.1	139.5	114.5	-92.8	-70.1	0	0	0	112.1	S313	H311-S313 PolarHBondContact O-N 2.84Å
312	T	36.9	Very low	41	Very low	132 Å²	132	110.3 Å²	110.3	81%	0.81	70%	0.695	S	S	*	*			trans	-41.6	119.4	157.8	41.9	0	0	0	0	113.3
313	S	26.8	Very low	40.3	Very low	108 Å²	108	111.5 Å²	111.5	76%	0.755	70%	0.7	S	S	*	*			trans	-168.4	135.6	142	48.5	0	0	0	0	109.6	H311 A315	H311-S313 PolarHBondContact O-N 2.84Å; S313-A315 PolarHBondContact O-N 3.22Å
314	H	39.3	Very low	39.8	Very low	206 Å²	206	110.6 Å²	110.6	95%	0.954	71%	0.705	S	S	*	*			trans	-62.2	114.8	167.6	-89.6	-43.7	0	0	0	109.5
315	A	24.8	Very low	39.9	Very low	77 Å²	77	108.7 Å²	108.7	64%	0.636	70%	0.701	S	S	*	*			trans	-149	117.4	156.8	0	0	0	0	0	108.8	S313 S317	S313-A315 PolarHBondContact O-N 3.22Å; A315-S317 PolarHBondContact O-N 2.9Å; A315-S317 VanDerWaalsContact O-N 3.14Å
316	T	37.3	Very low	41.2	Very low	154 Å²	154	101.7 Å²	101.7	95%	0.945	67%	0.668	S	S	*	*			trans	-49.1	112.2	163.3	13.2	0	0	0	0	109.5
317	S	24.5	Very low	43.7	Very low	102 Å²	102	102.8 Å²	102.8	71%	0.713	66%	0.664	S	S	*	*			trans	-145.5	123.9	163.4	61.5	0	0	0	0	110.9	A315 A319	A315-S317 PolarHBondContact O-N 2.9Å; A315-S317 VanDerWaalsContact O-N 3.14Å; S317-A319 PolarHBondContact O-N 2.74Å
318	T	35.1	Very low	46.3	Very low	147 Å²	147	97.9 Å²	97.9	90%	0.902	64%	0.643	S	S	*	*			trans	-55.7	114.1	168.5	37.5	0	0	0	0	111
319	A	29.8	Very low	49.1	Very low	86 Å²	86	95.9 Å²	95.9	71%	0.711	62%	0.621	S	S	*	*			trans	-133.6	91.6	168.1	0	0	0	0	0	110.3	S317 S321	S317-A319 PolarHBondContact O-N 2.74Å; A319-S321 PolarHBondContact O-N 2.86Å
320	T	38.3	Very low	51.9	Low	121 Å²	121	98.9 Å²	98.9	74%	0.742	62%	0.616	S	S	*	*			trans	-74.6	84.6	169.7	43.5	0	0	0	0	110.5
321	S	48.7	Very low	54.6	Low	91 Å²	91	93 Å²	93	64%	0.636	58%	0.584	S	S	*	*			trans	179.1	42.7	161.9	57.5	0	0	0	0	116.3	A319 F323	A319-S321 PolarHBondContact O-N 2.86Å; S321-F323 PolarHBondContact O-N 2.76Å
322	G	56.4	Low	57.1	Low	47 Å²	47	88.4 Å²	88.4	49%	0.485	57%	0.57	S	S	.	*	S	Bend	trans	-68.2	-24.1	-173.4	0	0	0	0	0	117.5
323	F	65.9	Low	59.5	Low	31 Å²	31	86.1 Å²	86.1	14%	0.136	56%	0.557	C	S	.	*	S	Bend	trans	-132.5	9.9	-170.2	-66.9	-78.3	0	0	0	114.8	S321 G325 A326 G395 L396 V431 F468	S321-F323 PolarHBondContact O-N 2.76Å; F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 2.77Å; F323-A326 WeakPolarHBondContact O-CB 3.2Å; F323-A326 PolarHBondContact O-N 3.46Å; F323-G395 WeakPolarHBondContact CE1-O 3.32Å; F323-L396 HydrophobicContact CE1-CB 4.31Å; F323-L396 HydrophobicContact CE1-CD1 3.87Å; F323-L396 HydrophobicContact CZ-CD1 4.37Å; F323-V431 HydrophobicContact CB-CB 4.17Å; F323-V431 HydrophobicContact CB-CG1 3.9Å; F323-V431 HydrophobicContact CB-CG2 4.38Å; F323-V431 HydrophobicContact CD1-CG1 4.37Å; F323-V431 HydrophobicContact CD2-CG1 4.32Å; F323-V431 HydrophobicContact CG-CG1 3.95Å; F323-F468 HydrophobicContact CD2-CD1 4.2Å; F323-F468 HydrophobicContact CD2-CD2 4.04Å; F323-F468 AromaticContact CD2-CE1 3.97Å; F323-F468 HydrophobicContact CD2-CE1 3.97Å; F323-F468 AromaticContact CD2-CE2 3.78Å; F323-F468 HydrophobicContact CD2-CE2 3.78Å; F323-F468 HydrophobicContact CD2-CG 4.24Å; F323-F468 AromaticContact CD2-CZ 3.75Å; F323-F468 HydrophobicContact CD2-CZ 3.75Å; F323-F468 AromaticContact CE2-CD1 3.97Å; F323-F468 HydrophobicContact CE2-CD1 3.97Å; F323-F468 AromaticContact CE2-CE1 3.94Å; F323-F468 HydrophobicContact CE2-CE1 3.94Å; F323-F468 HydrophobicContact CE2-CE2 4.5Å; F323-F468 HydrophobicContact CE2-CG 4.28Å; F323-F468 HydrophobicContact CE2-CZ 4.21Å
324	A	64.9	Low	62.5	Low	72 Å²	72	82.8 Å²	82.8	60%	0.595	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-60.8	-36	-178	0	0	0	0	0	112.5	A326	A324-A326 VanDerWaalsContact C-N 3.27Å; A324-A326 PolarHBondContact O-N 2.67Å
325	G	69.2	Low	64.9	Low	57 Å²	57	75.4 Å²	75.4	59%	0.588	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-74.1	-10.6	176.8	0	0	0	0	0	115.1	F323	F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 2.77Å
326	A	80.4	Confident	68.2	Low	0 Å²	0	73 Å²	73	0%	0	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-83	-27.7	176.2	0	0	0	0	0	112.3	F323 A324 G328 Q329 I393 V428 V431	F323-A326 WeakPolarHBondContact O-CB 3.2Å; F323-A326 PolarHBondContact O-N 3.46Å; A324-A326 VanDerWaalsContact C-N 3.27Å; A324-A326 PolarHBondContact O-N 2.67Å; A326-G328 PolarHBondContact O-N 3.19Å; A326-Q329 WeakPolarHBondContact O-CB 3.4Å; A326-Q329 PolarHBondContact O-N 3.1Å; A326-I393 HydrophobicContact CB-CG2 3.61Å; A326-V428 VanDerWaalsContact O-CB 3.25Å; A326-V428 WeakPolarHBondContact O-CB 3.25Å; A326-V428 WeakPolarHBondContact O-CG1 3.49Å; A326-V431 HydrophobicContact CB-CG2 4.35Å
327	I	88.3	Confident	70.8	Confident	65 Å²	65	69 Å²	69	33%	0.333	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	126.1	-175.9	-59.2	173.2	0	0	0	109.5	Q329 V431	I327-Q329 VanDerWaalsContact C-N 3.29Å; I327-V431 HydrophobicContact CG1-CG2 4.32Å
328	G	87.8	Confident	74.2	Confident	44 Å²	44	64.5 Å²	64.5	45%	0.454	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-3.2	-176	0	0	0	0	0	114.4	A326 K330 V428	A326-G328 PolarHBondContact O-N 3.19Å; G328-K330 PolarHBondContact O-N 3.39Å; G328-V428 PolarHBondContact N-O 2.91Å
329	Q	86.7	Confident	77.1	Confident	69 Å²	69	60.6 Å²	60.6	32%	0.322	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-57.4	121	172.7	-175.6	84.1	-6.4	0	0	109.3	A326 I327 V427 V428	A326-Q329 WeakPolarHBondContact O-CB 3.4Å; A326-Q329 PolarHBondContact O-N 3.1Å; I327-Q329 VanDerWaalsContact C-N 3.29Å; Q329-V427 WeakPolarHBondContact O-CA 3.27Å; Q329-V428 HydrophobicContact CB-CG2 4.41Å; Q329-V428 PolarHBondContact O-N 3.11Å
330	K	89.5	Confident	80.2	Confident	162 Å²	162	58.9 Å²	58.9	70%	0.704	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-89.1	130.5	171.6	-66	-175	179.9	-175	0	109.2	G328 A426 V427	G328-K330 PolarHBondContact O-N 3.39Å; K330-A426 WeakPolarHBondContact CA-O 3.09Å; K330-V427 HydrophobicContact CG-CG2 4.32Å
331	L	85.9	Confident	83	Confident	12 Å²	12	58 Å²	58	6%	0.063	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-81.2	155.2	171	-56.6	-178.5	0	0	0	109.9	G389 E392 I393 A426 M442	L331-G389 WeakPolarHBondContact CD2-O 3.36Å; L331-E392 HydrophobicContact CD2-CB 4.18Å; L331-I393 HydrophobicContact CD2-CG1 4.45Å; L331-A426 HydrophobicContact CB-CB 4.19Å; L331-A426 HydrophobicContact CD1-CB 4.09Å; L331-A426 HydrophobicContact CG-CB 4.37Å; L331-A426 PolarHBondContact N-O 3.43Å; L331-M442 HydrophobicContact CD1-SD 4.05Å
332	P	82.8	Confident	85.3	Confident	74 Å²	74	56.4 Å²	56.4	48%	0.481	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-50.8	130.8	174.7	-27.2	35.3	0	0	0	111.1	E392	P332-E392 WeakPolarHBondContact CD-OE2 3.26Å; P332-E392 WeakPolarHBondContact CG-OE2 3.4Å
333	P	88.2	Confident	87.3	Confident	83 Å²	83	54.3 Å²	54.3	54%	0.539	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.8	177.8	28.3	-34.2	0	0	0	109.6	C424 E425	P333-C424 WeakPolarHBondContact CA-O 3.32Å; P333-E425 HydrophobicContact CB-CG 4.38Å
334	F	88.9	Confident	88.8	Confident	38 Å²	38	53.9 Å²	53.9	17%	0.167	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	165.4	176.9	68.6	-81.4	0	0	0	110.8	K383 C424	F334-K383 HydrophobicContact CD2-CB 4.34Å; F334-K383 HydrophobicContact CD2-CD 3.84Å; F334-K383 HydrophobicContact CD2-CG 4.07Å; F334-K383 HydrophobicContact CE2-CB 3.65Å; F334-K383 HydrophobicContact CE2-CD 3.9Å; F334-K383 HydrophobicContact CE2-CG 3.89Å; F334-K383 HydrophobicContact CZ-CB 4.09Å; F334-C424 HydrophobicContact CD1-CB 3.9Å; F334-C424 HydrophobicContact CD2-CB 4.14Å; F334-C424 HydrophobicContact CE1-CB 3.32Å; F334-C424 HydrophobicContact CE2-CB 3.64Å; F334-C424 HydrophobicContact CG-CB 4.26Å; F334-C424 HydrophobicContact CZ-CB 3.21Å; F334-C424 PolarHBondContact N-O 3.05Å; F334-C424 VanDerWaalsContact N-O 3.15Å; F334-C424 PolarHBondContact O-N 2.93Å
335	S	90.4	Very high	90.4	Very high	51 Å²	51	52.9 Å²	52.9	36%	0.357	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.9	170.9	-63.9	0	0	0	0	111.1	K383 K421 L422	S335-K383 PolarHBondContact O-NZ 2.96Å; S335-K421 WeakPolarHBondContact OG-CE 3.36Å; S335-L422 CarbonylContact C-O 3.56Å; S335-L422 VanDerWaalsContact CA-O 3.31Å; S335-L422 WeakPolarHBondContact CA-O 3.41Å
336	Y	92.5	Very high	91.8	Very high	27 Å²	27	50.1 Å²	50.1	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.7	170.9	-164.1	-80.9	0	0	0	108.4	Y338 F376 I379 I380 K383 K421 L422	Y336-Y338 HydrophobicContact CD1-CD1 4.09Å; Y336-Y338 HydrophobicContact CE1-CD1 4.34Å; Y336-Y338 HydrophobicContact CE1-CG 4.48Å; Y336-F376 HydrophobicContact CE1-CZ 4.24Å; Y336-I379 HydrophobicContact CE2-CG2 4.4Å; Y336-I379 WeakPolarHBondContact OH-CG2 3.24Å; Y336-I380 HydrophobicContact CD1-CG1 3.85Å; Y336-I380 HydrophobicContact CE1-CG1 4.1Å; Y336-I380 HydrophobicContact CG-CB 4.5Å; Y336-I380 HydrophobicContact CG-CG1 4.3Å; Y336-I380 HydrophobicContact CG-CG2 4.37Å; Y336-K383 HydrophobicContact CD2-CB 4.12Å; Y336-K383 HydrophobicContact CD2-CD 3.59Å; Y336-K383 HydrophobicContact CD2-CG 4.49Å; Y336-K383 HydrophobicContact CE2-CB 4.44Å; Y336-K383 HydrophobicContact CE2-CD 4.12Å; Y336-K421 CarbonylContact O-C 3.48Å; Y336-K421 WeakPolarHBondContact O-CA 3.47Å; Y336-L422 PolarHBondContact N-O 3.38Å; Y336-L422 PolarHBondContact O-N 3.08Å
337	A	93.1	Very high	92.6	Very high	69 Å²	69	50.1 Å²	50.1	57%	0.57	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.6	174.4	0	0	0	0	0	108.7	G420 K421	A337-G420 WeakPolarHBondContact CA-O 3.38Å; A337-K421 HydrophobicContact CB-CB 4.28Å; A337-K421 HydrophobicContact CB-CG 4.17Å
338	Y	95.6	Very high	93.1	Very high	9 Å²	9	50.4 Å²	50.4	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.5	176.7	71.2	-84.6	0	0	0	111.5	Y336 F376 I380 P417 A419 G420 L422	Y336-Y338 HydrophobicContact CD1-CD1 4.09Å; Y336-Y338 HydrophobicContact CE1-CD1 4.34Å; Y336-Y338 HydrophobicContact CE1-CG 4.48Å; Y338-F376 HydrophobicContact CD1-CE1 4.24Å; Y338-F376 AromaticContact CD2-CE1 3.68Å; Y338-F376 HydrophobicContact CD2-CE1 3.68Å; Y338-F376 HydrophobicContact CD2-CZ 4.29Å; Y338-F376 HydrophobicContact CE1-CE1 4.39Å; Y338-F376 AromaticContact CE2-CE1 3.87Å; Y338-F376 HydrophobicContact CE2-CE1 3.87Å; Y338-F376 AromaticContact CG-CE1 3.87Å; Y338-F376 HydrophobicContact CG-CE1 3.87Å; Y338-F376 HydrophobicContact CG-CZ 4.24Å; Y338-I380 HydrophobicContact CE1-CD1 4.22Å; Y338-P417 VanDerWaalsContact CE2-O 3.25Å; Y338-P417 WeakPolarHBondContact CE2-O 3.45Å; Y338-P417 VanDerWaalsContact CZ-O 3.3Å; Y338-P417 WeakPolarHBondContact OH-CD 3.34Å; Y338-P417 VanDerWaalsContact OH-CG 3.27Å; Y338-P417 WeakPolarHBondContact OH-CG 3.21Å; Y338-P417 PolarHBondContact OH-O 2.94Å; Y338-A419 WeakPolarHBondContact O-CA 3.47Å; Y338-G420 PolarHBondContact N-O 2.92Å; Y338-G420 PolarHBondContact O-N 3.18Å; Y338-L422 HydrophobicContact CE1-CD1 4.09Å; Y338-L422 HydrophobicContact CE1-CG 4.34Å
339	T	95.6	Very high	93.6	Very high	64 Å²	64	48.3 Å²	48.3	39%	0.393	26%	0.264	S	S	.	.			trans	-120.5	-177.5	175.4	66.6	0	0	0	0	109.4	L341 E342 A343	T339-L341 PolarHBondContact O-N 2.83Å; T339-L341 VanDerWaalsContact O-N 3.17Å; T339-L341 WeakPolarHBondContact OG1-CB 3.45Å; T339-L341 PolarHBondContact OG1-N 2.86Å; T339-E342 WeakPolarHBondContact CA-OE2 3.42Å; T339-E342 PolarHBondContact N-OE2 3.24Å; T339-E342 PolarHBondContact O-N 3.13Å; T339-E342 PolarHBondContact OG1-OE2 3.2Å; T339-A343 PolarHBondContact O-N 3.12Å
340	E	96.1	Very high	94.1	Very high	51 Å²	51	45 Å²	45	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-56.3	-27.9	171.4	-65.3	87.8	166.9	0	0	112.3	A343 I344 E365 F370 R418	E340-A343 PolarHBondContact O-N 2.87Å; E340-I344 HydrophobicContact CB-CD1 4.46Å; E340-I344 WeakPolarHBondContact O-CB 3.41Å; E340-I344 WeakPolarHBondContact O-CD1 3.32Å; E340-I344 WeakPolarHBondContact O-CG1 3.38Å; E340-I344 PolarHBondContact O-N 3.2Å; E340-E365 HydrophobicContact CB-CB 3.91Å; E340-E365 HydrophobicContact CG-CB 4.06Å; E340-F370 HydrophobicContact CB-CE1 3.99Å; E340-F370 HydrophobicContact CB-CZ 3.93Å; E340-F370 HydrophobicContact CG-CD1 4.11Å; E340-F370 HydrophobicContact CG-CE1 3.49Å; E340-F370 VanDerWaalsContact CG-CE1 3.49Å; E340-F370 HydrophobicContact CG-CZ 3.97Å; E340-R418 IonicContact OE1-CZ 3.47Å; E340-R418 IonicContact OE1-NE 2.75Å; E340-R418 PolarHBondContact OE1-NE 2.92Å; E340-R418 IonicContact OE1-NH2 3.45Å
341	L	96.6	Very high	94.5	Very high	102 Å²	102	38.1 Å²	38.1	53%	0.534	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-51.9	179	178.3	61.8	0	0	0	112.2	T339 A343 I344 M345	T339-L341 PolarHBondContact O-N 2.83Å; T339-L341 VanDerWaalsContact O-N 3.17Å; T339-L341 WeakPolarHBondContact OG1-CB 3.45Å; T339-L341 PolarHBondContact OG1-N 2.86Å; L341-A343 VanDerWaalsContact C-N 3.3Å; L341-A343 PolarHBondContact O-N 3.11Å; L341-I344 PolarHBondContact O-N 3.47Å; L341-M345 HydrophobicContact CD1-CE 4.41Å; L341-M345 HydrophobicContact CG-CE 4.38Å; L341-M345 VanDerWaalsContact O-CB 3.25Å; L341-M345 WeakPolarHBondContact O-CB 3.27Å; L341-M345 PolarHBondContact O-N 2.98Å
342	E	97.4	Very high	95	Very high	57 Å²	57	37.8 Å²	37.8	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-36	-179.5	-69	72.1	-156	0	0	111.4	T339 M345 Y346 F376	T339-E342 WeakPolarHBondContact CA-OE2 3.42Å; T339-E342 PolarHBondContact N-OE2 3.24Å; T339-E342 PolarHBondContact O-N 3.13Å; T339-E342 PolarHBondContact OG1-OE2 3.2Å; E342-M345 PolarHBondContact O-N 2.63Å; E342-Y346 WeakPolarHBondContact O-CB 3.47Å; E342-Y346 PolarHBondContact O-N 2.98Å; E342-F376 HydrophobicContact CB-CE2 4.4Å; E342-F376 HydrophobicContact CB-CZ 3.96Å
343	A	96.8	Very high	95.5	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-44.8	176.6	0	0	0	0	0	112	T339 E340 L341 Y346 A347 F370 C372	T339-A343 PolarHBondContact O-N 3.12Å; E340-A343 PolarHBondContact O-N 2.87Å; L341-A343 VanDerWaalsContact C-N 3.3Å; L341-A343 PolarHBondContact O-N 3.11Å; A343-Y346 PolarHBondContact O-N 2.87Å; A343-A347 WeakPolarHBondContact O-CB 3.3Å; A343-A347 PolarHBondContact O-N 3.32Å; A343-F370 HydrophobicContact CB-CZ 4.26Å; A343-C372 HydrophobicContact CB-CB 4.41Å
344	I	98.1	Very high	95.6	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-44.2	176.3	-69.2	166.1	0	0	0	110.5	E340 L341 Y346 A347 L348 E365 F370	E340-I344 HydrophobicContact CB-CD1 4.46Å; E340-I344 WeakPolarHBondContact O-CB 3.41Å; E340-I344 WeakPolarHBondContact O-CD1 3.32Å; E340-I344 WeakPolarHBondContact O-CG1 3.38Å; E340-I344 PolarHBondContact O-N 3.2Å; L341-I344 PolarHBondContact O-N 3.47Å; I344-Y346 VanDerWaalsContact C-N 3.31Å; I344-Y346 PolarHBondContact O-N 3.25Å; I344-A347 PolarHBondContact O-N 2.99Å; I344-A347 VanDerWaalsContact O-N 3.13Å; I344-L348 HydrophobicContact CG2-CD1 3.95Å; I344-L348 HydrophobicContact CG2-CG 4.35Å; I344-L348 WeakPolarHBondContact O-CG 3.46Å; I344-L348 PolarHBondContact O-N 2.73Å; I344-E365 HydrophobicContact CD1-CB 4.15Å; I344-F370 HydrophobicContact CD1-CE2 4.04Å; I344-F370 HydrophobicContact CD1-CZ 4.36Å; I344-F370 HydrophobicContact CG1-CE2 3.72Å; I344-F370 HydrophobicContact CG1-CZ 4.01Å
345	M	97.9	Very high	95.7	Very high	50 Å²	50	46.2 Å²	46.2	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-44	178.2	-173.4	179	-61.2	0	0	111.5	L341 E342 G349 L506	L341-M345 HydrophobicContact CD1-CE 4.41Å; L341-M345 HydrophobicContact CG-CE 4.38Å; L341-M345 VanDerWaalsContact O-CB 3.25Å; L341-M345 WeakPolarHBondContact O-CB 3.27Å; L341-M345 PolarHBondContact O-N 2.98Å; E342-M345 PolarHBondContact O-N 2.63Å; M345-G349 PolarHBondContact O-N 3.46Å; M345-L506 HydrophobicContact CG-CB 4.19Å; M345-L506 HydrophobicContact SD-CB 3.39Å; M345-L506 WeakPolarHBondContact SD-CB 3.4Å; M345-L506 HydrophobicContact SD-CD1 4.45Å
346	Y	98.4	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-46.8	173	175.9	-96.5	0	0	0	112	E342 A343 I344 L348 G349 V350 L373 T375 F376 I379 Y504	E342-Y346 WeakPolarHBondContact O-CB 3.47Å; E342-Y346 PolarHBondContact O-N 2.98Å; A343-Y346 PolarHBondContact O-N 2.87Å; I344-Y346 VanDerWaalsContact C-N 3.31Å; I344-Y346 PolarHBondContact O-N 3.25Å; Y346-L348 PolarHBondContact O-N 2.84Å; Y346-G349 CarbonylContact O-C 3.39Å; Y346-G349 WeakPolarHBondContact O-CA 3.4Å; Y346-G349 PolarHBondContact O-N 3.14Å; Y346-V350 HydrophobicContact CD1-CG2 4.4Å; Y346-V350 HydrophobicContact CD2-CG1 4.45Å; Y346-V350 HydrophobicContact CE1-CG1 4.16Å; Y346-V350 HydrophobicContact CE1-CG2 4.01Å; Y346-V350 HydrophobicContact CE2-CG1 3.91Å; Y346-V350 PolarHBondContact O-N 3.23Å; Y346-L373 HydrophobicContact CD1-CB 4.32Å; Y346-L373 HydrophobicContact CE1-CB 4.08Å; Y346-L373 HydrophobicContact CE1-CD1 4.42Å; Y346-T375 VanDerWaalsContact OH-C 3.25Å; Y346-T375 WeakPolarHBondContact OH-CB 3.5Å; Y346-T375 PolarHBondContact OH-O 2.94Å; Y346-T375 PolarHBondContact OH-OG1 2.88Å; Y346-F376 HydrophobicContact CD1-CB 3.67Å; Y346-F376 HydrophobicContact CD1-CD2 4Å; Y346-F376 HydrophobicContact CD1-CG 4.27Å; Y346-F376 AromaticContact CD2-CD2 3.96Å; Y346-F376 HydrophobicContact CD2-CD2 3.96Å; Y346-F376 HydrophobicContact CE1-CB 3.93Å; Y346-F376 VanDerWaalsContact CE1-N 3.3Å; Y346-F376 HydrophobicContact CG-CB 4.11Å; Y346-F376 AromaticContact CG-CD2 3.53Å; Y346-F376 HydrophobicContact CG-CD2 3.53Å; Y346-F376 HydrophobicContact CG-CE2 4.43Å; Y346-F376 HydrophobicContact CG-CG 4.26Å; Y346-I379 HydrophobicContact CD2-CD1 4.07Å; Y346-I379 HydrophobicContact CD2-CG1 3.53Å; Y346-I379 HydrophobicContact CE2-CD1 4.06Å; Y346-I379 HydrophobicContact CE2-CG1 3.67Å; Y346-Y504 HydrophobicContact CD2-CE2 4.12Å; Y346-Y504 AromaticContact CE2-CE2 3.71Å; Y346-Y504 HydrophobicContact CE2-CE2 3.71Å
347	A	98.3	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-46.7	-179.1	0	0	0	0	0	112.2	A343 I344 G349 V350 G351 A352 F362 V363 L373	A343-A347 WeakPolarHBondContact O-CB 3.3Å; A343-A347 PolarHBondContact O-N 3.32Å; I344-A347 PolarHBondContact O-N 2.99Å; I344-A347 VanDerWaalsContact O-N 3.13Å; A347-G349 VanDerWaalsContact C-N 3.32Å; A347-G349 PolarHBondContact O-N 2.95Å; A347-V350 CarbonylContact O-C 3.57Å; A347-V350 WeakPolarHBondContact O-CG2 3.5Å; A347-V350 PolarHBondContact O-N 3.02Å; A347-G351 PolarHBondContact O-N 2.73Å; A347-A352 HydrophobicContact CB-CB 3.93Å; A347-A352 WeakPolarHBondContact O-CB 3.34Å; A347-A352 PolarHBondContact O-N 3.21Å; A347-F362 HydrophobicContact CB-CB 3.93Å; A347-F362 WeakPolarHBondContact CB-O 3.29Å; A347-V363 HydrophobicContact CB-CG1 4.34Å; A347-L373 HydrophobicContact CB-CD1 3.93Å; A347-L373 HydrophobicContact CB-CG 4.42Å
348	L	98.2	Very high	95.2	Very high	71 Å²	71	50.7 Å²	50.7	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-40.6	172.7	-65.5	170.9	0	0	0	111.5	I344 Y346 V350 G351 V363 Q500 L503	I344-L348 HydrophobicContact CG2-CD1 3.95Å; I344-L348 HydrophobicContact CG2-CG 4.35Å; I344-L348 WeakPolarHBondContact O-CG 3.46Å; I344-L348 PolarHBondContact O-N 2.73Å; Y346-L348 PolarHBondContact O-N 2.84Å; L348-V350 PolarHBondContact O-N 3.38Å; L348-G351 PolarHBondContact O-N 2.86Å; L348-G351 VanDerWaalsContact O-N 3.08Å; L348-V363 HydrophobicContact CD2-CB 4.41Å; L348-V363 HydrophobicContact CD2-CG1 3.8Å; L348-V363 HydrophobicContact CG-CG1 4.2Å; L348-Q500 PolarHBondContact O-NE2 3.49Å; L348-L503 HydrophobicContact CB-CD2 4.09Å
349	G	98.1	Very high	95.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-22.9	175.6	0	0	0	0	0	114.3	M345 Y346 A347 Q500 C534	M345-G349 PolarHBondContact O-N 3.46Å; Y346-G349 CarbonylContact O-C 3.39Å; Y346-G349 WeakPolarHBondContact O-CA 3.4Å; Y346-G349 PolarHBondContact O-N 3.14Å; A347-G349 VanDerWaalsContact C-N 3.32Å; A347-G349 PolarHBondContact O-N 2.95Å; G349-Q500 VanDerWaalsContact C-NE2 3.32Å; G349-Q500 PolarHBondContact O-NE2 3.17Å; G349-C534 PolarHBondContact O-SG 2.63Å
350	V	98.3	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	21.7	176.1	-55.6	0	0	0	0	113.2	Y346 A347 L348 L373 Y504 F538 R541	Y346-V350 HydrophobicContact CD1-CG2 4.4Å; Y346-V350 HydrophobicContact CD2-CG1 4.45Å; Y346-V350 HydrophobicContact CE1-CG1 4.16Å; Y346-V350 HydrophobicContact CE1-CG2 4.01Å; Y346-V350 HydrophobicContact CE2-CG1 3.91Å; Y346-V350 PolarHBondContact O-N 3.23Å; A347-V350 CarbonylContact O-C 3.57Å; A347-V350 WeakPolarHBondContact O-CG2 3.5Å; A347-V350 PolarHBondContact O-N 3.02Å; L348-V350 PolarHBondContact O-N 3.38Å; V350-L373 HydrophobicContact CG2-CD1 3.48Å; V350-L373 VanDerWaalsContact CG2-CD1 3.48Å; V350-Y504 HydrophobicContact CG1-CD2 3.83Å; V350-Y504 HydrophobicContact CG1-CE2 3.61Å; V350-F538 VanDerWaalsContact C-CE2 3.44Å; V350-F538 HydrophobicContact CB-CD2 4.37Å; V350-F538 WeakPolarHBondContact O-CD1 3.37Å; V350-F538 WeakPolarHBondContact O-CG 3.46Å; V350-R541 PolarHBondContact O-NE 3.14Å
351	G	97	Very high	94.9	Very high	16 Å²	16	49.9 Å²	49.9	17%	0.165	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	10.1	167.4	0	0	0	0	0	115.9	A347 L348 S353 F538 R541	A347-G351 PolarHBondContact O-N 2.73Å; L348-G351 PolarHBondContact O-N 2.86Å; L348-G351 VanDerWaalsContact O-N 3.08Å; G351-S353 PolarHBondContact O-N 3.49Å; G351-F538 VanDerWaalsContact CA-CE1 3.49Å; G351-F538 VanDerWaalsContact CA-CZ 3.42Å; G351-R541 VanDerWaalsContact O-CZ 3.25Å; G351-R541 PolarHBondContact O-NH2 3.47Å
352	A	96.9	Very high	94.9	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	24%	0.235	C	C	.	.			trans	-59.3	136.9	168.8	0	0	0	0	0	109.5	A347 D359 V363	A347-A352 HydrophobicContact CB-CB 3.93Å; A347-A352 WeakPolarHBondContact O-CB 3.34Å; A347-A352 PolarHBondContact O-N 3.21Å; A352-D359 VanDerWaalsContact CA-OD2 3.29Å; A352-D359 WeakPolarHBondContact CA-OD2 3.35Å; A352-D359 HydrophobicContact CB-CB 4.31Å; A352-V363 HydrophobicContact CB-CG1 3.78Å
353	S	93.2	Very high	94.8	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	23%	0.228	S	C	.	.			trans	-149.9	143.4	-172.5	-173.3	0	0	0	0	112	G351 K355 D356 D359	G351-S353 PolarHBondContact O-N 3.49Å; S353-K355 PolarHBondContact O-N 3.04Å; S353-K355 PolarHBondContact OG-N 3.16Å; S353-D356 PolarHBondContact O-N 2.75Å; S353-D359 PolarHBondContact N-OD2 3.35Å; S353-D359 VanDerWaalsContact N-OD2 3.1Å; S353-D359 WeakPolarHBondContact O-CB 3.43Å
354	I	91.3	Very high	94.7	Very high	137 Å²	137	48.7 Å²	48.7	70%	0.703	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.9	171.9	63	168.9	0	0	0	113.8	D356 V363	I354-D356 PolarHBondContact O-N 3.24Å; I354-V363 HydrophobicContact CG2-CG2 4.13Å
355	K	90.3	Very high	94.4	Very high	194 Å²	194	52.3 Å²	52.3	84%	0.843	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.9	170.2	-68.3	-177.6	179.8	-179.5	0	112	S353	S353-K355 PolarHBondContact O-N 3.04Å; S353-K355 PolarHBondContact OG-N 3.16Å
356	D	89.3	Confident	93.7	Very high	31 Å²	31	52.1 Å²	52.1	17%	0.166	28%	0.276	C	S	.	.	S	Bend	trans	-103.2	108.3	173.3	-165.4	-31.2	0	0	0	108.7	S353 I354 K358 D359 R542 Q545	S353-D356 PolarHBondContact O-N 2.75Å; I354-D356 PolarHBondContact O-N 3.24Å; D356-K358 PolarHBondContact O-N 2.9Å; D356-K358 WeakPolarHBondContact OD1-CB 3.44Å; D356-K358 PolarHBondContact OD1-N 2.7Å; D356-K358 VanDerWaalsContact OD1-N 3.08Å; D356-D359 HydrophobicContact CB-CB 4.27Å; D356-D359 WeakPolarHBondContact O-CB 3.46Å; D356-D359 PolarHBondContact O-N 2.92Å; D356-R542 IonicContact OD2-NH1 3.85Å; D356-Q545 PolarHBondContact OD2-NE2 3.07Å
357	P	87.6	Confident	92.9	Very high	110 Å²	110	53.1 Å²	53.1	71%	0.714	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.8	-26.1	-179.6	-26.3	35.3	0	0	0	113.4	D359 L360	P357-D359 PolarHBondContact O-N 2.76Å; P357-L360 WeakPolarHBondContact O-CB 3.41Å; P357-L360 PolarHBondContact O-N 2.6Å
358	K	89	Confident	91.9	Very high	100 Å²	100	58.2 Å²	58.2	44%	0.435	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-74.7	-11.8	178	-63.2	-167.6	176.1	-168.6	0	113.5	D356 D549 N550	D356-K358 PolarHBondContact O-N 2.9Å; D356-K358 WeakPolarHBondContact OD1-CB 3.44Å; D356-K358 PolarHBondContact OD1-N 2.7Å; D356-K358 VanDerWaalsContact OD1-N 3.08Å; K358-D549 IonicContact NZ-OD1 2.63Å; K358-D549 PolarHBondContact NZ-OD1 3.31Å; K358-N550 PolarHBondContact O-ND2 3.23Å; K358-N550 VanDerWaalsContact O-ND2 3.15Å
359	D	93.9	Very high	91.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-88.7	-10.1	175.9	-78.4	-10.6	0	0	0	112.9	A352 S353 D356 P357 K361 F362 V363 R541	A352-D359 VanDerWaalsContact CA-OD2 3.29Å; A352-D359 WeakPolarHBondContact CA-OD2 3.35Å; A352-D359 HydrophobicContact CB-CB 4.31Å; S353-D359 PolarHBondContact N-OD2 3.35Å; S353-D359 VanDerWaalsContact N-OD2 3.1Å; S353-D359 WeakPolarHBondContact O-CB 3.43Å; D356-D359 HydrophobicContact CB-CB 4.27Å; D356-D359 WeakPolarHBondContact O-CB 3.46Å; D356-D359 PolarHBondContact O-N 2.92Å; P357-D359 PolarHBondContact O-N 2.76Å; D359-K361 PolarHBondContact O-N 3.43Å; D359-K361 VanDerWaalsContact O-N 3.11Å; D359-F362 HydrophobicContact CB-CD2 4.49Å; D359-F362 WeakPolarHBondContact O-CB 3.36Å; D359-F362 PolarHBondContact O-N 2.85Å; D359-V363 PolarHBondContact O-N 2.79Å; D359-R541 IonicContact OD1-NH1 3.59Å; D359-R541 IonicContact OD2-CZ 3.2Å; D359-R541 IonicContact OD2-NH1 2.6Å; D359-R541 PolarHBondContact OD2-NH1 3.45Å
360	L	92.2	Very high	91	Very high	77 Å²	77	59 Å²	59	40%	0.403	32%	0.322	S	S	.	.	H	α-helix	trans	-53.5	-37.8	-178.3	-172.9	65.5	0	0	0	111.9	P357 F362 V363 Y364	P357-L360 WeakPolarHBondContact O-CB 3.41Å; P357-L360 PolarHBondContact O-N 2.6Å; L360-F362 PolarHBondContact O-N 3.27Å; L360-F362 VanDerWaalsContact O-N 3.16Å; L360-V363 PolarHBondContact O-N 2.88Å; L360-V363 VanDerWaalsContact O-N 3.16Å; L360-Y364 HydrophobicContact CD1-CD1 4.44Å; L360-Y364 HydrophobicContact CD1-CG 4.49Å; L360-Y364 PolarHBondContact O-N 2.93Å
361	K	94.1	Very high	90.8	Very high	30 Å²	30	60.1 Å²	60.1	13%	0.13	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-15.9	176.5	71.5	-178.5	-63.8	178.9	0	115.1	D359 D369 F370 S371 N550	D359-K361 PolarHBondContact O-N 3.43Å; D359-K361 VanDerWaalsContact O-N 3.11Å; K361-D369 WeakPolarHBondContact CB-OD1 3.47Å; K361-D369 WeakPolarHBondContact CB-OD2 3.47Å; K361-D369 WeakPolarHBondContact CD-OD2 3.39Å; K361-D369 WeakPolarHBondContact CE-O 3.43Å; K361-D369 VanDerWaalsContact CE-OD2 3.26Å; K361-D369 WeakPolarHBondContact CE-OD2 3.26Å; K361-D369 IonicContact NZ-OD2 2.78Å; K361-F370 CarbonylContact O-C 3.54Å; K361-F370 VanDerWaalsContact O-CA 3.27Å; K361-F370 WeakPolarHBondContact O-CA 3.41Å; K361-F370 VanDerWaalsContact O-CD2 3.22Å; K361-F370 WeakPolarHBondContact O-CD2 3.47Å; K361-S371 WeakPolarHBondContact CE-OG 3.41Å; K361-S371 PolarHBondContact O-N 2.82Å; K361-N550 HydrophobicContact CD-CB 4.37Å; K361-N550 PolarHBondContact NZ-O 2.9Å; K361-N550 VanDerWaalsContact NZ-O 3.08Å
362	F	97.3	Very high	90.8	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-100.4	-16.6	177.6	-56.5	-54.7	0	0	0	112.8	A347 D359 L360 S371 L373 N550 V552	A347-F362 HydrophobicContact CB-CB 3.93Å; A347-F362 WeakPolarHBondContact CB-O 3.29Å; D359-F362 HydrophobicContact CB-CD2 4.49Å; D359-F362 WeakPolarHBondContact O-CB 3.36Å; D359-F362 PolarHBondContact O-N 2.85Å; L360-F362 PolarHBondContact O-N 3.27Å; L360-F362 VanDerWaalsContact O-N 3.16Å; F362-S371 WeakPolarHBondContact CD1-O 3.44Å; F362-L373 HydrophobicContact CB-CG 4.42Å; F362-L373 HydrophobicContact CD1-CD2 3.82Å; F362-L373 HydrophobicContact CD1-CG 3.92Å; F362-L373 HydrophobicContact CD2-CD2 3.85Å; F362-L373 HydrophobicContact CD2-CG 4.35Å; F362-L373 HydrophobicContact CE1-CD2 3.73Å; F362-L373 HydrophobicContact CE1-CG 4.28Å; F362-L373 HydrophobicContact CE2-CD2 3.73Å; F362-L373 HydrophobicContact CG-CD2 3.91Å; F362-L373 HydrophobicContact CG-CG 3.98Å; F362-L373 HydrophobicContact CZ-CD2 3.68Å; F362-N550 HydrophobicContact CE2-CB 4.02Å; F362-N550 HydrophobicContact CZ-CB 3.98Å; F362-V552 HydrophobicContact CE1-CG1 3.6Å; F362-V552 HydrophobicContact CZ-CG1 4.04Å
363	V	95.9	Very high	90.9	Very high	21 Å²	21	59.4 Å²	59.4	13%	0.127	32%	0.322	C	S	.	.	H	α-helix	trans	-121	-3.8	-171.5	-57.5	0	0	0	0	114.3	A347 L348 A352 I354 D359 L360	A347-V363 HydrophobicContact CB-CG1 4.34Å; L348-V363 HydrophobicContact CD2-CB 4.41Å; L348-V363 HydrophobicContact CD2-CG1 3.8Å; L348-V363 HydrophobicContact CG-CG1 4.2Å; A352-V363 HydrophobicContact CB-CG1 3.78Å; I354-V363 HydrophobicContact CG2-CG2 4.13Å; D359-V363 PolarHBondContact O-N 2.79Å; L360-V363 PolarHBondContact O-N 2.88Å; L360-V363 VanDerWaalsContact O-N 3.16Å
364	Y	93.7	Very high	91.1	Very high	113 Å²	113	57.5 Å²	57.5	44%	0.443	31%	0.308	S	S	.	.			trans	-131.7	109.6	178.2	178.1	-133.8	0	0	0	111.6	L360 G366 S367 F370	L360-Y364 HydrophobicContact CD1-CD1 4.44Å; L360-Y364 HydrophobicContact CD1-CG 4.49Å; L360-Y364 PolarHBondContact O-N 2.93Å; Y364-G366 VanDerWaalsContact CE1-C 3.45Å; Y364-G366 PolarHBondContact O-N 2.79Å; Y364-S367 VanDerWaalsContact O-CB 3.3Å; Y364-S367 WeakPolarHBondContact O-CB 3.41Å; Y364-S367 PolarHBondContact O-N 3.22Å; Y364-F370 VanDerWaalsContact O-CD2 3.25Å; Y364-F370 WeakPolarHBondContact O-CD2 3.37Å
365	E	90.8	Very high	91.4	Very high	100 Å²	100	51.1 Å²	51.1	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25	-179	71	-70.3	169.2	0	0	113.6	E340 I344 S367 R418	E340-E365 HydrophobicContact CB-CB 3.91Å; E340-E365 HydrophobicContact CG-CB 4.06Å; I344-E365 HydrophobicContact CD1-CB 4.15Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-R418 PolarHBondContact O-NH2 2.86Å
366	G	84.8	Confident	91.8	Very high	46 Å²	46	41.9 Å²	41.9	47%	0.474	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.1	175	0	0	0	0	0	114.5	Y364 S368	Y364-G366 VanDerWaalsContact CE1-C 3.45Å; Y364-G366 PolarHBondContact O-N 2.79Å; G366-S368 PolarHBondContact O-N 2.95Å
367	S	80.3	Confident	92.1	Very high	20 Å²	20	40.4 Å²	40.4	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-63.2	136	173.9	-162.2	0	0	0	0	110.3	Y364 E365 D369 F370	Y364-S367 VanDerWaalsContact O-CB 3.3Å; Y364-S367 WeakPolarHBondContact O-CB 3.41Å; Y364-S367 PolarHBondContact O-N 3.22Å; E365-S367 VanDerWaalsContact C-N 3.31Å; S367-D369 PolarHBondContact O-N 3.44Å; S367-D369 VanDerWaalsContact O-N 3.14Å; S367-D369 PolarHBondContact OG-OD1 2.86Å; S367-F370 WeakPolarHBondContact O-CB 3.43Å; S367-F370 PolarHBondContact O-N 2.85Å; S367-F370 VanDerWaalsContact O-N 3.1Å
368	S	77.1	Confident	92.5	Very high	108 Å²	108	35.2 Å²	35.2	76%	0.755	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	179.8	45.8	0	0	0	0	113.8	G366	G366-S368 PolarHBondContact O-N 2.95Å
369	D	84.5	Confident	92.8	Very high	71 Å²	71	30.6 Å²	30.6	38%	0.38	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	22.6	178.2	72.8	-33	0	0	0	112.4	K361 S367 S371	K361-D369 WeakPolarHBondContact CB-OD1 3.47Å; K361-D369 WeakPolarHBondContact CB-OD2 3.47Å; K361-D369 WeakPolarHBondContact CD-OD2 3.39Å; K361-D369 WeakPolarHBondContact CE-O 3.43Å; K361-D369 VanDerWaalsContact CE-OD2 3.26Å; K361-D369 WeakPolarHBondContact CE-OD2 3.26Å; K361-D369 IonicContact NZ-OD2 2.78Å; S367-D369 PolarHBondContact O-N 3.44Å; S367-D369 VanDerWaalsContact O-N 3.14Å; S367-D369 PolarHBondContact OG-OD1 2.86Å; D369-S371 PolarHBondContact O-N 2.85Å; D369-S371 PolarHBondContact O-OG 3.37Å
370	F	93.9	Very high	92.7	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.075	17%	0.174	C	C	.	.			trans	-48.7	126.8	-180	176.9	-98.2	0	0	0	111.2	E340 A343 I344 K361 Y364 S367 R418	E340-F370 HydrophobicContact CB-CE1 3.99Å; E340-F370 HydrophobicContact CB-CZ 3.93Å; E340-F370 HydrophobicContact CG-CD1 4.11Å; E340-F370 HydrophobicContact CG-CE1 3.49Å; E340-F370 VanDerWaalsContact CG-CE1 3.49Å; E340-F370 HydrophobicContact CG-CZ 3.97Å; A343-F370 HydrophobicContact CB-CZ 4.26Å; I344-F370 HydrophobicContact CD1-CE2 4.04Å; I344-F370 HydrophobicContact CD1-CZ 4.36Å; I344-F370 HydrophobicContact CG1-CE2 3.72Å; I344-F370 HydrophobicContact CG1-CZ 4.01Å; K361-F370 CarbonylContact O-C 3.54Å; K361-F370 VanDerWaalsContact O-CA 3.27Å; K361-F370 WeakPolarHBondContact O-CA 3.41Å; K361-F370 VanDerWaalsContact O-CD2 3.22Å; K361-F370 WeakPolarHBondContact O-CD2 3.47Å; Y364-F370 VanDerWaalsContact O-CD2 3.25Å; Y364-F370 WeakPolarHBondContact O-CD2 3.37Å; S367-F370 WeakPolarHBondContact O-CB 3.43Å; S367-F370 PolarHBondContact O-N 2.85Å; S367-F370 VanDerWaalsContact O-N 3.1Å; F370-R418 HydrophobicContact CD1-CB 4.19Å; F370-R418 HydrophobicContact CE1-CB 4.2Å
371	S	94.3	Very high	92.6	Very high	22 Å²	22	26.9 Å²	26.9	15%	0.154	15%	0.154	C	C	.	.			trans	-138.4	148.5	-172.4	-63.8	0	0	0	0	109.9	K361 F362 D369	K361-S371 WeakPolarHBondContact CE-OG 3.41Å; K361-S371 PolarHBondContact O-N 2.82Å; F362-S371 WeakPolarHBondContact CD1-O 3.44Å; D369-S371 PolarHBondContact O-N 2.85Å; D369-S371 PolarHBondContact O-OG 3.37Å
372	C	96.6	Very high	92.4	Very high	5 Å²	5	26 Å²	26	3%	0.034	15%	0.151	C	C	.	.			trans	-83.2	136.6	168.5	-59.3	0	0	0	0	109.6	A343 L416 P417	A343-C372 HydrophobicContact CB-CB 4.41Å; C372-L416 HydrophobicContact CB-CB 3.96Å; C372-L416 HydrophobicContact CB-CD1 4.49Å; C372-P417 PolarHBondContact SG-O 3.36Å; C372-P417 VanDerWaalsContact SG-O 3.35Å
373	L	98	Very high	91.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	17%	0.172	C	C	.	.			trans	-58.7	130.2	168.6	-79.2	177.3	0	0	0	109.3	Y346 A347 V350 F362 T375 F376 R541	Y346-L373 HydrophobicContact CD1-CB 4.32Å; Y346-L373 HydrophobicContact CE1-CB 4.08Å; Y346-L373 HydrophobicContact CE1-CD1 4.42Å; A347-L373 HydrophobicContact CB-CD1 3.93Å; A347-L373 HydrophobicContact CB-CG 4.42Å; V350-L373 HydrophobicContact CG2-CD1 3.48Å; V350-L373 VanDerWaalsContact CG2-CD1 3.48Å; F362-L373 HydrophobicContact CB-CG 4.42Å; F362-L373 HydrophobicContact CD1-CD2 3.82Å; F362-L373 HydrophobicContact CD1-CG 3.92Å; F362-L373 HydrophobicContact CD2-CD2 3.85Å; F362-L373 HydrophobicContact CD2-CG 4.35Å; F362-L373 HydrophobicContact CE1-CD2 3.73Å; F362-L373 HydrophobicContact CE1-CG 4.28Å; F362-L373 HydrophobicContact CE2-CD2 3.73Å; F362-L373 HydrophobicContact CG-CD2 3.91Å; F362-L373 HydrophobicContact CG-CG 3.98Å; F362-L373 HydrophobicContact CZ-CD2 3.68Å; L373-T375 PolarHBondContact O-N 3.42Å; L373-T375 VanDerWaalsContact O-N 3.11Å; L373-F376 WeakPolarHBondContact O-CB 3.48Å; L373-F376 PolarHBondContact O-N 3.14Å; L373-R541 HydrophobicContact CD2-CG 4.33Å
374	P	97.9	Very high	90.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.013	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-53.3	-37.8	-175.9	-33.2	38.7	0	0	0	114.2	F376 G377 L410 L412 L544 V552 F555	P374-F376 PolarHBondContact O-N 3.22Å; P374-F376 VanDerWaalsContact O-N 3.17Å; P374-G377 PolarHBondContact O-N 3.44Å; P374-G377 VanDerWaalsContact O-N 3.08Å; P374-L410 WeakPolarHBondContact O-CD2 3.44Å; P374-L412 HydrophobicContact CB-CD1 3.64Å; P374-L412 HydrophobicContact CG-CD1 4.49Å; P374-L544 HydrophobicContact CG-CD1 3.81Å; P374-V552 HydrophobicContact CG-CB 4Å; P374-V552 HydrophobicContact CG-CG1 4.14Å; P374-F555 HydrophobicContact CB-CB 3.83Å; P374-F555 HydrophobicContact CB-CD1 3.38Å; P374-F555 HydrophobicContact CB-CD2 3.75Å; P374-F555 HydrophobicContact CB-CE1 3.7Å; P374-F555 HydrophobicContact CB-CE2 4.05Å; P374-F555 HydrophobicContact CB-CG 3.36Å; P374-F555 HydrophobicContact CB-CZ 3.99Å; P374-F555 HydrophobicContact CG-CB 3.55Å; P374-F555 HydrophobicContact CG-CD1 4.12Å; P374-F555 HydrophobicContact CG-CD2 4.02Å; P374-F555 HydrophobicContact CG-CG 3.64Å
375	T	98.2	Very high	89.9	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-69.1	-9.6	-179.4	53.7	0	0	0	0	114	Y346 L373 G377 V378 F536 A540 F555	Y346-T375 VanDerWaalsContact OH-C 3.25Å; Y346-T375 WeakPolarHBondContact OH-CB 3.5Å; Y346-T375 PolarHBondContact OH-O 2.94Å; Y346-T375 PolarHBondContact OH-OG1 2.88Å; L373-T375 PolarHBondContact O-N 3.42Å; L373-T375 VanDerWaalsContact O-N 3.11Å; T375-G377 PolarHBondContact O-N 3.47Å; T375-G377 VanDerWaalsContact O-N 3.1Å; T375-V378 WeakPolarHBondContact O-CG2 3.3Å; T375-V378 PolarHBondContact O-N 3.06Å; T375-F536 HydrophobicContact CG2-CD1 3.95Å; T375-F536 HydrophobicContact CG2-CE1 3.56Å; T375-A540 HydrophobicContact CG2-CB 3.4Å; T375-A540 VanDerWaalsContact CG2-CB 3.4Å; T375-F555 HydrophobicContact CG2-CZ 4.38Å
376	F	97.8	Very high	88.8	Confident	1 Å²	1	24.5 Å²	24.5	0%	0.004	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56.7	-23.7	166.8	-178.7	-122	0	0	0	111.8	Y336 Y338 E342 Y346 L373 P374 V378 I379 I380 L416	Y336-F376 HydrophobicContact CE1-CZ 4.24Å; Y338-F376 HydrophobicContact CD1-CE1 4.24Å; Y338-F376 AromaticContact CD2-CE1 3.68Å; Y338-F376 HydrophobicContact CD2-CE1 3.68Å; Y338-F376 HydrophobicContact CD2-CZ 4.29Å; Y338-F376 HydrophobicContact CE1-CE1 4.39Å; Y338-F376 AromaticContact CE2-CE1 3.87Å; Y338-F376 HydrophobicContact CE2-CE1 3.87Å; Y338-F376 AromaticContact CG-CE1 3.87Å; Y338-F376 HydrophobicContact CG-CE1 3.87Å; Y338-F376 HydrophobicContact CG-CZ 4.24Å; E342-F376 HydrophobicContact CB-CE2 4.4Å; E342-F376 HydrophobicContact CB-CZ 3.96Å; Y346-F376 HydrophobicContact CD1-CB 3.67Å; Y346-F376 HydrophobicContact CD1-CD2 4Å; Y346-F376 HydrophobicContact CD1-CG 4.27Å; Y346-F376 AromaticContact CD2-CD2 3.96Å; Y346-F376 HydrophobicContact CD2-CD2 3.96Å; Y346-F376 HydrophobicContact CE1-CB 3.93Å; Y346-F376 VanDerWaalsContact CE1-N 3.3Å; Y346-F376 HydrophobicContact CG-CB 4.11Å; Y346-F376 AromaticContact CG-CD2 3.53Å; Y346-F376 HydrophobicContact CG-CD2 3.53Å; Y346-F376 HydrophobicContact CG-CE2 4.43Å; Y346-F376 HydrophobicContact CG-CG 4.26Å; L373-F376 WeakPolarHBondContact O-CB 3.48Å; L373-F376 PolarHBondContact O-N 3.14Å; P374-F376 PolarHBondContact O-N 3.22Å; P374-F376 VanDerWaalsContact O-N 3.17Å; F376-V378 PolarHBondContact O-N 3.08Å; F376-V378 VanDerWaalsContact O-N 3.07Å; F376-I379 HydrophobicContact CD2-CB 3.99Å; F376-I379 HydrophobicContact CD2-CG1 3.97Å; F376-I379 HydrophobicContact CD2-CG2 4.46Å; F376-I379 HydrophobicContact CE2-CB 3.98Å; F376-I379 HydrophobicContact CE2-CG1 4.27Å; F376-I379 HydrophobicContact CE2-CG2 3.96Å; F376-I379 WeakPolarHBondContact O-CB 3.15Å; F376-I379 PolarHBondContact O-N 2.6Å; F376-I380 HydrophobicContact CD1-CD1 4.18Å; F376-I380 HydrophobicContact CE1-CD1 4.14Å; F376-I380 HydrophobicContact CE1-CG1 4.37Å; F376-L416 HydrophobicContact CB-CD1 3.97Å; F376-L416 HydrophobicContact CD1-CD1 4.12Å
377	G	96.4	Very high	87.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.7	-26.1	173	0	0	0	0	0	114.6	P374 T375 G381 N456	P374-G377 PolarHBondContact O-N 3.44Å; P374-G377 VanDerWaalsContact O-N 3.08Å; T375-G377 PolarHBondContact O-N 3.47Å; T375-G377 VanDerWaalsContact O-N 3.1Å; G377-G381 PolarHBondContact O-N 2.92Å; G377-N456 PolarHBondContact O-ND2 2.8Å
378	V	95.9	Very high	86.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-35.2	176.1	-51.9	0	0	0	0	112.1	T375 F376 G381 Q382 Q408 L410 N456 L533 F536	T375-V378 WeakPolarHBondContact O-CG2 3.3Å; T375-V378 PolarHBondContact O-N 3.06Å; F376-V378 PolarHBondContact O-N 3.08Å; F376-V378 VanDerWaalsContact O-N 3.07Å; V378-G381 PolarHBondContact O-N 2.7Å; V378-Q382 WeakPolarHBondContact O-CB 3.47Å; V378-Q382 PolarHBondContact O-N 3.32Å; V378-Q408 HydrophobicContact CG1-CG 4.18Å; V378-L410 HydrophobicContact CG1-CB 4.18Å; V378-L410 HydrophobicContact CG1-CD2 3.94Å; V378-N456 WeakPolarHBondContact CA-OD1 3.44Å; V378-L533 HydrophobicContact CB-CD2 4.3Å; V378-L533 HydrophobicContact CG1-CD2 4.37Å; V378-L533 HydrophobicContact CG2-CD1 4.19Å; V378-L533 HydrophobicContact CG2-CD2 4.15Å; V378-F536 HydrophobicContact CG1-CE1 3.86Å; V378-F536 HydrophobicContact CG1-CZ 4.4Å
379	I	94.8	Very high	86	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-42.7	-179.6	-62.3	-57	0	0	0	110.5	Y336 Y346 F376 G381 Q382 Y504 S507	Y336-I379 HydrophobicContact CE2-CG2 4.4Å; Y336-I379 WeakPolarHBondContact OH-CG2 3.24Å; Y346-I379 HydrophobicContact CD2-CD1 4.07Å; Y346-I379 HydrophobicContact CD2-CG1 3.53Å; Y346-I379 HydrophobicContact CE2-CD1 4.06Å; Y346-I379 HydrophobicContact CE2-CG1 3.67Å; F376-I379 HydrophobicContact CD2-CB 3.99Å; F376-I379 HydrophobicContact CD2-CG1 3.97Å; F376-I379 HydrophobicContact CD2-CG2 4.46Å; F376-I379 HydrophobicContact CE2-CB 3.98Å; F376-I379 HydrophobicContact CE2-CG1 4.27Å; F376-I379 HydrophobicContact CE2-CG2 3.96Å; F376-I379 WeakPolarHBondContact O-CB 3.15Å; F376-I379 PolarHBondContact O-N 2.6Å; I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 3.35Å; I379-Q382 PolarHBondContact O-N 2.99Å; I379-Y504 WeakPolarHBondContact CD1-OH 3.44Å; I379-S507 WeakPolarHBondContact CG2-O 3.31Å
380	I	92.8	Very high	85.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-47	176.2	-66.8	157.3	0	0	0	110.2	Y336 Y338 F376 L416 L422	Y336-I380 HydrophobicContact CD1-CG1 3.85Å; Y336-I380 HydrophobicContact CE1-CG1 4.1Å; Y336-I380 HydrophobicContact CG-CB 4.5Å; Y336-I380 HydrophobicContact CG-CG1 4.3Å; Y336-I380 HydrophobicContact CG-CG2 4.37Å; Y338-I380 HydrophobicContact CE1-CD1 4.22Å; F376-I380 HydrophobicContact CD1-CD1 4.18Å; F376-I380 HydrophobicContact CE1-CD1 4.14Å; F376-I380 HydrophobicContact CE1-CG1 4.37Å; I380-L416 HydrophobicContact CD1-CD2 3.96Å; I380-L422 HydrophobicContact CD1-CD1 3.7Å; I380-L422 HydrophobicContact CG1-CD1 4.42Å; I380-L422 HydrophobicContact CG2-CB 4.5Å; I380-L422 HydrophobicContact CG2-CD1 4.05Å
381	G	90.4	Very high	83.8	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.5	-38.3	179	0	0	0	0	0	113.6	G377 V378 I379 K383 S384	G377-G381 PolarHBondContact O-N 2.92Å; V378-G381 PolarHBondContact O-N 2.7Å; I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 3.35Å; G381-K383 PolarHBondContact O-N 3.48Å; G381-S384 WeakPolarHBondContact O-CB 3.41Å; G381-S384 PolarHBondContact O-N 3.09Å; G381-S384 PolarHBondContact O-OG 3.21Å
382	Q	88.5	Confident	82.4	Confident	12 Å²	12	24.4 Å²	24.4	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-25.1	-173.6	-173.8	177.2	23.1	0	0	113.1	V378 I379 S384 L385 M386 F458 D509	V378-Q382 WeakPolarHBondContact O-CB 3.47Å; V378-Q382 PolarHBondContact O-N 3.32Å; I379-Q382 PolarHBondContact O-N 2.99Å; Q382-S384 PolarHBondContact O-N 2.77Å; Q382-S384 VanDerWaalsContact O-N 3.12Å; Q382-L385 VanDerWaalsContact O-CB 3.3Å; Q382-L385 WeakPolarHBondContact O-CB 3.36Å; Q382-L385 PolarHBondContact O-N 3.26Å; Q382-M386 HydrophobicContact CG-CG 4.44Å; Q382-M386 PolarHBondContact O-N 2.87Å; Q382-F458 HydrophobicContact CB-CE1 4.27Å; Q382-F458 HydrophobicContact CB-CZ 4.22Å; Q382-D509 PolarHBondContact NE2-OD2 3.01Å
383	K	82.7	Confident	81.2	Confident	102 Å²	102	24.4 Å²	24.4	44%	0.443	16%	0.157	S	C	.	.	H	α-helix	trans	-56.1	-29.8	175.8	-176.2	172.8	-179.7	-178.6	0	113.2	F334 S335 Y336 G381 L385 M386 G387	F334-K383 HydrophobicContact CD2-CB 4.34Å; F334-K383 HydrophobicContact CD2-CD 3.84Å; F334-K383 HydrophobicContact CD2-CG 4.07Å; F334-K383 HydrophobicContact CE2-CB 3.65Å; F334-K383 HydrophobicContact CE2-CD 3.9Å; F334-K383 HydrophobicContact CE2-CG 3.89Å; F334-K383 HydrophobicContact CZ-CB 4.09Å; S335-K383 PolarHBondContact O-NZ 2.96Å; Y336-K383 HydrophobicContact CD2-CB 4.12Å; Y336-K383 HydrophobicContact CD2-CD 3.59Å; Y336-K383 HydrophobicContact CD2-CG 4.49Å; Y336-K383 HydrophobicContact CE2-CB 4.44Å; Y336-K383 HydrophobicContact CE2-CD 4.12Å; G381-K383 PolarHBondContact O-N 3.48Å; K383-L385 PolarHBondContact O-N 2.78Å; K383-M386 PolarHBondContact O-N 3.02Å; K383-G387 PolarHBondContact O-N 2.9Å
384	S	77.2	Confident	79.4	Confident	8 Å²	8	27 Å²	27	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-28	173.2	60	0	0	0	0	113.7	G381 Q382 M442	G381-S384 WeakPolarHBondContact O-CB 3.41Å; G381-S384 PolarHBondContact O-N 3.09Å; G381-S384 PolarHBondContact O-OG 3.21Å; Q382-S384 PolarHBondContact O-N 2.77Å; Q382-S384 VanDerWaalsContact O-N 3.12Å; S384-M442 VanDerWaalsContact OG-CE 3.26Å; S384-M442 WeakPolarHBondContact OG-CE 3.34Å
385	L	73.9	Confident	77.8	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-85.7	-36.1	-177.7	-64	176.7	0	0	0	113	Q382 K383 L390 M442 F458 L460	Q382-L385 VanDerWaalsContact O-CB 3.3Å; Q382-L385 WeakPolarHBondContact O-CB 3.36Å; Q382-L385 PolarHBondContact O-N 3.26Å; K383-L385 PolarHBondContact O-N 2.78Å; L385-L390 HydrophobicContact CB-CD1 4.39Å; L385-L390 HydrophobicContact CD2-CD1 4.06Å; L385-L390 HydrophobicContact CD2-CD2 3.65Å; L385-L390 HydrophobicContact CD2-CG 3.79Å; L385-M442 HydrophobicContact CD1-CE 4.1Å; L385-M442 HydrophobicContact CD2-CE 3.07Å; L385-M442 HydrophobicContact CD2-SD 3.52Å; L385-M442 VanDerWaalsContact CD2-SD 3.52Å; L385-M442 HydrophobicContact CG-CE 3.48Å; L385-M442 VanDerWaalsContact CG-CE 3.48Å; L385-M442 HydrophobicContact CG-SD 4.48Å; L385-F458 HydrophobicContact CD1-CB 4.2Å; L385-F458 HydrophobicContact CD1-CD1 3.65Å; L385-F458 HydrophobicContact CD1-CD2 4.29Å; L385-F458 HydrophobicContact CD1-CE1 4.06Å; L385-F458 HydrophobicContact CD1-CG 3.79Å; L385-L460 HydrophobicContact CD1-CD1 4.24Å; L385-L460 HydrophobicContact CD1-CD2 4.26Å; L385-L460 HydrophobicContact CD2-CD1 3.59Å
386	M	67.8	Low	76.3	Confident	81 Å²	81	30.7 Å²	30.7	40%	0.399	21%	0.208	S	C	.	.	H	α-helix	trans	-96.8	-13.1	-169.3	-59.6	-149.2	76.3	0	0	114.2	Q382 K383 G388 D509 N511	Q382-M386 HydrophobicContact CG-CG 4.44Å; Q382-M386 PolarHBondContact O-N 2.87Å; K383-M386 PolarHBondContact O-N 3.02Å; M386-G388 VanDerWaalsContact C-N 3.31Å; M386-G388 PolarHBondContact O-N 3.5Å; M386-D509 HydrophobicContact SD-CB 4.16Å; M386-N511 HydrophobicContact CE-CB 4.1Å
387	G	60.3	Low	74.4	Confident	71 Å²	71	35.9 Å²	35.9	73%	0.732	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	20.5	177.5	0	0	0	0	0	115.4	K383	K383-G387 PolarHBondContact O-N 2.9Å
388	G	60.4	Low	72.8	Confident	31 Å²	31	37.5 Å²	37.5	32%	0.32	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-6.3	-177	0	0	0	0	0	115.5	M386 L390 A391	M386-G388 VanDerWaalsContact C-N 3.31Å; M386-G388 PolarHBondContact O-N 3.5Å; G388-L390 PolarHBondContact O-N 3.5Å; G388-L390 VanDerWaalsContact O-N 3.15Å; G388-A391 WeakPolarHBondContact O-CB 3.32Å; G388-A391 PolarHBondContact O-N 3.43Å
389	G	63.7	Low	71.3	Confident	7 Å²	7	41.9 Å²	41.9	7%	0.072	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-59.8	-28.1	-176.9	0	0	0	0	0	114.9	L331 A391 E392	L331-G389 WeakPolarHBondContact CD2-O 3.36Å; G389-A391 VanDerWaalsContact C-N 3.32Å; G389-A391 PolarHBondContact O-N 3.33Å; G389-E392 PolarHBondContact O-N 2.92Å
390	L	67.1	Low	69.8	Low	9 Å²	9	46.8 Å²	46.8	5%	0.047	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-67.5	-31.7	172.8	-73.4	175.4	0	0	0	113	L385 G388 E392 I393 I398 F400 L460	L385-L390 HydrophobicContact CB-CD1 4.39Å; L385-L390 HydrophobicContact CD2-CD1 4.06Å; L385-L390 HydrophobicContact CD2-CD2 3.65Å; L385-L390 HydrophobicContact CD2-CG 3.79Å; G388-L390 PolarHBondContact O-N 3.5Å; G388-L390 VanDerWaalsContact O-N 3.15Å; L390-E392 PolarHBondContact O-N 2.91Å; L390-I393 HydrophobicContact CD2-CD1 3.88Å; L390-I393 PolarHBondContact O-N 3.14Å; L390-I398 HydrophobicContact CB-CD1 3.39Å; L390-I398 HydrophobicContact CG-CD1 4.46Å; L390-I398 VanDerWaalsContact O-CD1 3.3Å; L390-I398 WeakPolarHBondContact O-CD1 3.3Å; L390-F400 HydrophobicContact CD1-CE1 4.33Å; L390-L460 HydrophobicContact CD1-CD1 3.94Å; L390-L460 HydrophobicContact CD2-CD1 3.65Å; L390-L460 HydrophobicContact CG-CD1 4.39Å
391	A	64.7	Low	68.4	Low	71 Å²	71	48.1 Å²	48.1	59%	0.587	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-73.7	-10.8	177.6	0	0	0	0	0	112.9	G388 G389	G388-A391 WeakPolarHBondContact O-CB 3.32Å; G388-A391 PolarHBondContact O-N 3.43Å; G389-A391 VanDerWaalsContact C-N 3.32Å; G389-A391 PolarHBondContact O-N 3.33Å
392	E	66.1	Low	67.5	Low	93 Å²	93	53.3 Å²	53.3	44%	0.435	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-89	-2.8	177.3	-58.7	-179.4	167.6	0	0	113	L331 P332 G389 L390 P394	L331-E392 HydrophobicContact CD2-CB 4.18Å; P332-E392 WeakPolarHBondContact CD-OE2 3.26Å; P332-E392 WeakPolarHBondContact CG-OE2 3.4Å; G389-E392 PolarHBondContact O-N 2.92Å; L390-E392 PolarHBondContact O-N 2.91Å; E392-P394 WeakPolarHBondContact O-CD 3.5Å
393	I	69.5	Low	66.9	Low	6 Å²	6	54 Å²	54	3%	0.031	34%	0.336	C	S	.	.	S	Bend	trans	-78.3	118.2	179.2	-59.5	177.1	0	0	0	109.4	A326 L331 L390 G395 L396 V428 I440	A326-I393 HydrophobicContact CB-CG2 3.61Å; L331-I393 HydrophobicContact CD2-CG1 4.45Å; L390-I393 HydrophobicContact CD2-CD1 3.88Å; L390-I393 PolarHBondContact O-N 3.14Å; I393-G395 PolarHBondContact O-N 3.49Å; I393-L396 HydrophobicContact CB-CB 4.11Å; I393-L396 HydrophobicContact CB-CD2 3.94Å; I393-L396 HydrophobicContact CD1-CD2 4Å; I393-L396 HydrophobicContact CG1-CD2 4.48Å; I393-L396 HydrophobicContact CG2-CB 4.14Å; I393-L396 HydrophobicContact CG2-CD2 4.2Å; I393-L396 WeakPolarHBondContact O-CB 3.43Å; I393-L396 PolarHBondContact O-N 3.35Å; I393-V428 HydrophobicContact CD1-CG2 3.71Å; I393-V428 HydrophobicContact CG1-CG2 3.93Å; I393-V428 HydrophobicContact CG2-CG2 4.37Å; I393-I440 HydrophobicContact CD1-CD1 4.41Å; I393-I440 HydrophobicContact CD1-CG2 4.32Å
394	P	62.3	Low	66.9	Low	55 Å²	55	52.7 Å²	52.7	36%	0.357	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.6	-179.1	-24.2	34.3	0	0	0	112.7	E392 L396	E392-P394 WeakPolarHBondContact O-CD 3.5Å; P394-L396 VanDerWaalsContact C-N 3.27Å; P394-L396 PolarHBondContact O-N 3.35Å
395	G	63.8	Low	67.4	Low	61 Å²	61	54.6 Å²	54.6	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-0.7	178.2	0	0	0	0	0	115	F323 I393	F323-G395 WeakPolarHBondContact CE1-O 3.32Å; I393-G395 PolarHBondContact O-N 3.49Å
396	L	66.1	Low	68.2	Low	22 Å²	22	54.9 Å²	54.9	12%	0.115	35%	0.347	C	S	.	.			trans	-99.7	111.9	-177.4	-166.5	67.8	0	0	0	112.1	F323 I393 P394 I398 I440 L462	F323-L396 HydrophobicContact CE1-CB 4.31Å; F323-L396 HydrophobicContact CE1-CD1 3.87Å; F323-L396 HydrophobicContact CZ-CD1 4.37Å; I393-L396 HydrophobicContact CB-CB 4.11Å; I393-L396 HydrophobicContact CB-CD2 3.94Å; I393-L396 HydrophobicContact CD1-CD2 4Å; I393-L396 HydrophobicContact CG1-CD2 4.48Å; I393-L396 HydrophobicContact CG2-CB 4.14Å; I393-L396 HydrophobicContact CG2-CD2 4.2Å; I393-L396 WeakPolarHBondContact O-CB 3.43Å; I393-L396 PolarHBondContact O-N 3.35Å; P394-L396 VanDerWaalsContact C-N 3.27Å; P394-L396 PolarHBondContact O-N 3.35Å; L396-I398 HydrophobicContact CD2-CD1 3.55Å; L396-I398 HydrophobicContact CD2-CG1 3.64Å; L396-I398 HydrophobicContact CG-CD1 4.07Å; L396-I398 HydrophobicContact CG-CG1 3.57Å; L396-I440 HydrophobicContact CD1-CD1 3.78Å; L396-I440 HydrophobicContact CD2-CD1 3.27Å; L396-I440 HydrophobicContact CG-CD1 4.18Å; L396-L462 HydrophobicContact CD1-CD2 4.08Å
397	S	57.6	Low	69.5	Low	110 Å²	110	52.1 Å²	52.1	77%	0.769	33%	0.333	S	S	*	.			trans	-96.5	106.5	168.5	-176	0	0	0	0	109.2
398	I	62.2	Low	71.3	Confident	34 Å²	34	48.7 Å²	48.7	17%	0.174	30%	0.298	C	S	.	.			trans	-97.5	121.2	-172.2	-56.2	177.9	0	0	0	110.9	L390 L396 F400 V403 L462	L390-I398 HydrophobicContact CB-CD1 3.39Å; L390-I398 HydrophobicContact CG-CD1 4.46Å; L390-I398 VanDerWaalsContact O-CD1 3.3Å; L390-I398 WeakPolarHBondContact O-CD1 3.3Å; L396-I398 HydrophobicContact CD2-CD1 3.55Å; L396-I398 HydrophobicContact CD2-CG1 3.64Å; L396-I398 HydrophobicContact CG-CD1 4.07Å; L396-I398 HydrophobicContact CG-CG1 3.57Å; I398-F400 HydrophobicContact CG2-CD1 4.05Å; I398-F400 HydrophobicContact CG2-CD2 4.07Å; I398-F400 HydrophobicContact CG2-CE1 4.15Å; I398-F400 HydrophobicContact CG2-CE2 4.16Å; I398-F400 HydrophobicContact CG2-CG 4.01Å; I398-F400 HydrophobicContact CG2-CZ 4.2Å; I398-V403 HydrophobicContact CG2-CG2 3.7Å; I398-L462 HydrophobicContact CG1-CD2 4.15Å; I398-L462 HydrophobicContact CG2-CD2 4.29Å
399	N	64.7	Low	73.1	Confident	92 Å²	92	47.7 Å²	47.7	49%	0.492	29%	0.285	S	S	.	.			trans	-95.3	107.7	153.8	-176.6	-20.4	0	0	0	108.6	A401 K402	N399-A401 PolarHBondContact O-N 3.37Å; N399-A401 VanDerWaalsContact O-N 3.16Å; N399-A401 WeakPolarHBondContact OD1-CB 3.26Å; N399-A401 PolarHBondContact OD1-N 2.91Å; N399-K402 HydrophobicContact CB-CG 4.44Å; N399-K402 PolarHBondContact O-N 3.17Å
400	F	64	Low	74.7	Confident	105 Å²	105	47.3 Å²	47.3	46%	0.461	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25.9	-177.2	-74.6	-82.3	0	0	0	113.5	L390 I398 K402 V403	L390-F400 HydrophobicContact CD1-CE1 4.33Å; I398-F400 HydrophobicContact CG2-CD1 4.05Å; I398-F400 HydrophobicContact CG2-CD2 4.07Å; I398-F400 HydrophobicContact CG2-CE1 4.15Å; I398-F400 HydrophobicContact CG2-CE2 4.16Å; I398-F400 HydrophobicContact CG2-CG 4.01Å; I398-F400 HydrophobicContact CG2-CZ 4.2Å; F400-K402 PolarHBondContact O-N 2.73Å; F400-V403 PolarHBondContact O-N 3.13Å
401	A	63.1	Low	76.2	Confident	29 Å²	29	48.1 Å²	48.1	24%	0.24	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-67.6	-13.4	174.7	0	0	0	0	0	113.3	N399	N399-A401 PolarHBondContact O-N 3.37Å; N399-A401 VanDerWaalsContact O-N 3.16Å; N399-A401 WeakPolarHBondContact OD1-CB 3.26Å; N399-A401 PolarHBondContact OD1-N 2.91Å
402	K	70.9	Confident	77.8	Confident	109 Å²	109	45.2 Å²	45.2	47%	0.474	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-109.5	5.7	179.8	-62.1	-170.8	177.8	-176	0	113.6	N399 F400 V463	N399-K402 HydrophobicContact CB-CG 4.44Å; N399-K402 PolarHBondContact O-N 3.17Å; F400-K402 PolarHBondContact O-N 2.73Å; K402-V463 HydrophobicContact CB-CB 4.4Å; K402-V463 PolarHBondContact O-N 2.94Å; K402-V463 VanDerWaalsContact O-N 3.12Å
403	V	77.1	Confident	79.2	Confident	26 Å²	26	46.2 Å²	46.2	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.6	177.7	-177.4	0	0	0	0	108.6	I398 F400 L460 L462	I398-V403 HydrophobicContact CG2-CG2 3.7Å; F400-V403 PolarHBondContact O-N 3.13Å; V403-L460 HydrophobicContact CG1-CB 4.43Å; V403-L460 HydrophobicContact CG1-CD2 4.5Å; V403-L462 HydrophobicContact CG2-CD2 4.22Å; V403-L462 HydrophobicContact CG2-CG 4.08Å
404	L	82.4	Confident	80.1	Confident	75 Å²	75	50.3 Å²	50.3	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.9	173	-63.6	177.7	0	0	0	109.7	G406 F461 V463 F525	L404-G406 PolarHBondContact O-N 3.03Å; L404-F461 HydrophobicContact CB-CB 4.41Å; L404-F461 PolarHBondContact N-O 2.81Å; L404-F461 PolarHBondContact O-N 2.79Å; L404-V463 HydrophobicContact CD1-CG2 3.87Å; L404-V463 HydrophobicContact CG-CG2 4.32Å; L404-F525 HydrophobicContact CD2-CZ 4.46Å
405	H	88	Confident	81.6	Confident	47 Å²	47	50.9 Å²	50.9	22%	0.218	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108.6	170.4	-162.4	165.1	0	0	0	108.2	E407 Q408 F458 F562	H405-E407 PolarHBondContact NE2-O 3.02Å; H405-Q408 PolarHBondContact CE1-OE1 3.13Å; H405-Q408 PolarHBondContact NE2-OE1 3.35Å; H405-F458 AromaticContact CE1-CD1 3.58Å; H405-F458 AromaticContact NE2-CD1 3.72Å; H405-F562 HydrophobicContact CB-CD2 4.44Å; H405-F562 AromaticContact CD2-CE2 3.88Å; H405-F562 AromaticContact CG-CE2 3.98Å; H405-F562 VanDerWaalsContact O-CD2 3.26Å; H405-F562 WeakPolarHBondContact O-CD2 3.33Å
406	G	89.6	Confident	83.1	Confident	19 Å²	19	48.6 Å²	48.6	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-46.8	-173.3	0	0	0	0	0	113.8	L404 S459 F562	L404-G406 PolarHBondContact O-N 3.03Å; G406-S459 PolarHBondContact N-O 2.73Å; G406-F562 PolarHBondContact O-N 3.32Å
407	E	95.4	Very high	84.3	Confident	22 Å²	22	49.6 Å²	49.6	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.5	179	-52.4	-174.1	172.5	0	0	111.3	H405 S459 K559 A560 R561	H405-E407 PolarHBondContact NE2-O 3.02Å; E407-S459 PolarHBondContact N-O 2.75Å; E407-S459 WeakPolarHBondContact O-CB 3.42Å; E407-S459 PolarHBondContact O-N 3.33Å; E407-K559 WeakPolarHBondContact OE2-CE 3.24Å; E407-K559 IonicContact OE2-NZ 2.73Å; E407-K559 PolarHBondContact OE2-NZ 2.75Å; E407-A560 VanDerWaalsContact CA-O 3.27Å; E407-A560 WeakPolarHBondContact CA-O 3.4Å; E407-A560 WeakPolarHBondContact CB-O 3.49Å; E407-R561 HydrophobicContact CG-CB 4Å; E407-R561 HydrophobicContact CG-CG 4.05Å; E407-R561 IonicContact OE1-CZ 3.97Å; E407-R561 IonicContact OE1-NE 3.89Å; E407-R561 PolarHBondContact OE1-NE 3.42Å; E407-R561 IonicContact OE1-NH2 2.96Å; E407-R561 PolarHBondContact OE1-NH2 2.98Å
408	Q	97.8	Very high	85.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.8	175.3	178.9	68.1	51.2	0	0	109.9	V378 H405 N456 L533 F536 K559 A560 F562	V378-Q408 HydrophobicContact CG1-CG 4.18Å; H405-Q408 PolarHBondContact CE1-OE1 3.13Å; H405-Q408 PolarHBondContact NE2-OE1 3.35Å; Q408-N456 PolarHBondContact NE2-OD1 2.96Å; Q408-L533 HydrophobicContact CB-CD2 4.05Å; Q408-L533 HydrophobicContact CG-CD2 3.72Å; Q408-F536 HydrophobicContact CB-CE2 4.18Å; Q408-F536 HydrophobicContact CB-CZ 4.47Å; Q408-F536 HydrophobicContact CG-CE1 4.46Å; Q408-F536 HydrophobicContact CG-CE2 4.03Å; Q408-F536 HydrophobicContact CG-CZ 3.81Å; Q408-K559 WeakPolarHBondContact O-CA 3.48Å; Q408-A560 PolarHBondContact N-O 3.42Å; Q408-A560 PolarHBondContact O-N 3.5Å; Q408-F562 HydrophobicContact CB-CE2 3.91Å; Q408-F562 HydrophobicContact CB-CZ 3.96Å
409	Y	98.5	Very high	87.3	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.4	161.5	177.3	-100.4	0	0	0	110.2	E411 H455 N456 Q457 K478 A557 I558 K559	Y409-E411 HydrophobicContact CE1-CB 3.58Å; Y409-E411 VanDerWaalsContact OH-CD 3.25Å; Y409-E411 PolarHBondContact OH-OE2 3.15Å; Y409-H455 AromaticContact CE1-ND1 3.95Å; Y409-N456 WeakPolarHBondContact O-CA 3.14Å; Y409-Q457 HydrophobicContact CD1-CB 4.41Å; Y409-Q457 PolarHBondContact N-O 2.71Å; Y409-Q457 PolarHBondContact O-N 3.45Å; Y409-K478 HydrophobicContact CD1-CB 4.34Å; Y409-K478 HydrophobicContact CD1-CD 4.35Å; Y409-K478 HydrophobicContact CD1-CG 3.73Å; Y409-K478 HydrophobicContact CD2-CB 3.85Å; Y409-K478 HydrophobicContact CD2-CG 4.03Å; Y409-K478 HydrophobicContact CE1-CD 4.01Å; Y409-K478 HydrophobicContact CE1-CG 3.92Å; Y409-K478 HydrophobicContact CE2-CB 4.29Å; Y409-K478 HydrophobicContact CE2-CD 4.18Å; Y409-K478 HydrophobicContact CE2-CG 4.19Å; Y409-K478 HydrophobicContact CG-CB 3.85Å; Y409-K478 HydrophobicContact CG-CG 3.77Å; Y409-A557 HydrophobicContact CE2-CB 4Å; Y409-I558 VanDerWaalsContact CA-O 3.31Å; Y409-I558 WeakPolarHBondContact CA-O 3.31Å; Y409-I558 VanDerWaalsContact CD2-O 3.31Å; Y409-I558 WeakPolarHBondContact CD2-O 3.3Å; Y409-K559 HydrophobicContact CD2-CB 4.05Å; Y409-K559 HydrophobicContact CD2-CD 4.2Å
410	L	98.6	Very high	88.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.2	171.1	166.2	69.5	0	0	0	108.5	P374 V378 L412 C454 H455 N456 F555 A557 I558	P374-L410 WeakPolarHBondContact O-CD2 3.44Å; V378-L410 HydrophobicContact CG1-CB 4.18Å; V378-L410 HydrophobicContact CG1-CD2 3.94Å; L410-L412 HydrophobicContact CD1-CD2 4.06Å; L410-C454 HydrophobicContact CD1-CB 4.11Å; L410-H455 CarbonylContact C-O 3.54Å; L410-H455 WeakPolarHBondContact CA-O 3.41Å; L410-N456 WeakPolarHBondContact CD1-OD1 3.25Å; L410-F555 HydrophobicContact CD2-CE1 4.33Å; L410-F555 HydrophobicContact CD2-CZ 4.44Å; L410-A557 CarbonylContact O-C 3.53Å; L410-A557 WeakPolarHBondContact O-CA 3.12Å; L410-A557 WeakPolarHBondContact O-CB 3.21Å; L410-I558 HydrophobicContact CB-CG2 3.81Å; L410-I558 HydrophobicContact CD2-CG2 4.42Å; L410-I558 HydrophobicContact CG-CG2 4.47Å; L410-I558 PolarHBondContact N-O 2.88Å; L410-I558 PolarHBondContact O-N 2.88Å
411	E	98.4	Very high	90	Very high	25 Å²	25	49 Å²	49	12%	0.117	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.6	171.5	-178.8	164.8	-162.9	0	0	109.6	Y409 Y413 C454 H455 K478 K556 A557	Y409-E411 HydrophobicContact CE1-CB 3.58Å; Y409-E411 VanDerWaalsContact OH-CD 3.25Å; Y409-E411 PolarHBondContact OH-OE2 3.15Å; E411-Y413 HydrophobicContact CG-CE2 4.31Å; E411-C454 CarbonylContact O-C 3.52Å; E411-C454 VanDerWaalsContact O-CA 3.26Å; E411-C454 WeakPolarHBondContact O-CA 3.43Å; E411-H455 PolarHBondContact N-O 3.16Å; E411-H455 PolarHBondContact O-N 2.85Å; E411-K478 IonicContact OE2-NZ 2.7Å; E411-K556 WeakPolarHBondContact CA-O 3.49Å; E411-A557 HydrophobicContact CB-CB 4.13Å; E411-A557 HydrophobicContact CG-CB 4.26Å
412	L	97.4	Very high	91.5	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	173.2	-65.8	-167.8	0	0	0	109.3	P374 L410 L416 C454 F555 K556	P374-L412 HydrophobicContact CB-CD1 3.64Å; P374-L412 HydrophobicContact CG-CD1 4.49Å; L410-L412 HydrophobicContact CD1-CD2 4.06Å; L412-L416 HydrophobicContact CD1-CG 4.33Å; L412-L416 HydrophobicContact CD2-CD2 4.3Å; L412-L416 HydrophobicContact CD2-CG 4.36Å; L412-C454 HydrophobicContact CD2-CB 3.36Å; L412-F555 HydrophobicContact CB-CD1 4.3Å; L412-F555 HydrophobicContact CD1-CD1 3.9Å; L412-F555 HydrophobicContact CD1-CE1 4.31Å; L412-F555 HydrophobicContact CG-CD1 3.98Å; L412-F555 HydrophobicContact CG-CE1 4.08Å; L412-K556 PolarHBondContact N-O 3.18Å
413	Y	95.3	Very high	92.6	Very high	115 Å²	115	46.8 Å²	46.8	45%	0.451	24%	0.237	S	C	.	.	S	Bend	trans	-89.1	-22.8	172	-63.1	-88.9	0	0	0	111.2	E411 L452 I453 H455	E411-Y413 HydrophobicContact CG-CE2 4.31Å; Y413-L452 HydrophobicContact CD2-CD2 3.81Å; Y413-L452 HydrophobicContact CD2-CG 3.77Å; Y413-L452 HydrophobicContact CE1-CD2 4.41Å; Y413-L452 HydrophobicContact CE2-CD2 3.47Å; Y413-L452 VanDerWaalsContact CE2-CD2 3.47Å; Y413-L452 HydrophobicContact CE2-CG 3.88Å; Y413-L452 HydrophobicContact CG-CD2 4.43Å; Y413-L452 HydrophobicContact CG-CG 4.46Å; Y413-I453 PolarHBondContact N-O 2.8Å; Y413-H455 HydrophobicContact CE2-CB 3.94Å
414	K	89.7	Confident	93.5	Very high	92 Å²	92	45.5 Å²	45.5	40%	0.4	23%	0.229	S	C	.	.	S	Bend	trans	-146.5	156.8	171.9	-69.5	-169.2	176.5	-178.6	0	110.3	E451 I453	K414-E451 VanDerWaalsContact CE-CD 3.43Å; K414-E451 WeakPolarHBondContact CE-OE1 3.39Å; K414-E451 WeakPolarHBondContact CE-OE2 3.14Å; K414-E451 IonicContact NZ-OE1 2.69Å; K414-E451 PolarHBondContact NZ-OE1 2.95Å; K414-E451 IonicContact NZ-OE2 3.13Å; K414-E451 PolarHBondContact NZ-OE2 2.85Å; K414-I453 HydrophobicContact CB-CD1 4.43Å
415	P	92.9	Very high	94	Very high	67 Å²	67	45.1 Å²	45.1	44%	0.435	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-52.6	142.1	166.6	-25.4	35.6	0	0	0	111.1	V552	P415-V552 HydrophobicContact CB-CG2 4.46Å
416	L	94.9	Very high	94.3	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.068	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.4	134.7	175.5	-67.8	169	0	0	0	109.4	C372 F376 I380 L412 I453	C372-L416 HydrophobicContact CB-CB 3.96Å; C372-L416 HydrophobicContact CB-CD1 4.49Å; F376-L416 HydrophobicContact CB-CD1 3.97Å; F376-L416 HydrophobicContact CD1-CD1 4.12Å; I380-L416 HydrophobicContact CD1-CD2 3.96Å; L412-L416 HydrophobicContact CD1-CG 4.33Å; L412-L416 HydrophobicContact CD2-CD2 4.3Å; L412-L416 HydrophobicContact CD2-CG 4.36Å; L416-I453 HydrophobicContact CD2-CG2 3.87Å
417	P	91.9	Very high	94.5	Very high	43 Å²	43	43.7 Å²	43.7	28%	0.279	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64.2	154.7	176.1	24.9	-30.6	0	0	0	110.5	Y338 C372 A419	Y338-P417 VanDerWaalsContact CE2-O 3.25Å; Y338-P417 WeakPolarHBondContact CE2-O 3.45Å; Y338-P417 VanDerWaalsContact CZ-O 3.3Å; Y338-P417 WeakPolarHBondContact OH-CD 3.34Å; Y338-P417 VanDerWaalsContact OH-CG 3.27Å; Y338-P417 WeakPolarHBondContact OH-CG 3.21Å; Y338-P417 PolarHBondContact OH-O 2.94Å; C372-P417 PolarHBondContact SG-O 3.36Å; C372-P417 VanDerWaalsContact SG-O 3.35Å; P417-A419 PolarHBondContact O-N 3.14Å
418	R	90.6	Very high	94.4	Very high	124 Å²	124	42.7 Å²	42.7	47%	0.468	21%	0.212	S	C	.	.	S	Bend	trans	-58.7	-33.1	-179.7	71.2	-172.1	-53.1	137.1	13.5	113.9	E340 E365 F370	E340-R418 IonicContact OE1-CZ 3.47Å; E340-R418 IonicContact OE1-NE 2.75Å; E340-R418 PolarHBondContact OE1-NE 2.92Å; E340-R418 IonicContact OE1-NH2 3.45Å; E365-R418 PolarHBondContact O-NH2 2.86Å; F370-R418 HydrophobicContact CD1-CB 4.19Å; F370-R418 HydrophobicContact CE1-CB 4.2Å
419	A	92.6	Very high	94.2	Very high	36 Å²	36	42.9 Å²	42.9	30%	0.298	21%	0.214	S	C	.	.	S	Bend	trans	-156.5	153.7	178.2	0	0	0	0	0	107.4	Y338 P417	Y338-A419 WeakPolarHBondContact O-CA 3.47Å; P417-A419 PolarHBondContact O-N 3.14Å
420	G	90.8	Very high	94	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	179.5	177.2	0	0	0	0	0	113.8	A337 Y338	A337-G420 WeakPolarHBondContact CA-O 3.38Å; Y338-G420 PolarHBondContact N-O 2.92Å; Y338-G420 PolarHBondContact O-N 3.18Å
421	K	94.1	Very high	93.6	Very high	139 Å²	139	42.9 Å²	42.9	60%	0.604	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.8	175.9	-175.3	177.8	-179.5	-179.7	0	109.4	S335 Y336 A337	S335-K421 WeakPolarHBondContact OG-CE 3.36Å; Y336-K421 CarbonylContact O-C 3.48Å; Y336-K421 WeakPolarHBondContact O-CA 3.47Å; A337-K421 HydrophobicContact CB-CB 4.28Å; A337-K421 HydrophobicContact CB-CG 4.17Å
422	L	94.3	Very high	93.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.9	-180	-57.9	177.8	0	0	0	110.5	S335 Y336 Y338 I380 Y447 I453	S335-L422 CarbonylContact C-O 3.56Å; S335-L422 VanDerWaalsContact CA-O 3.31Å; S335-L422 WeakPolarHBondContact CA-O 3.41Å; Y336-L422 PolarHBondContact N-O 3.38Å; Y336-L422 PolarHBondContact O-N 3.08Å; Y338-L422 HydrophobicContact CE1-CD1 4.09Å; Y338-L422 HydrophobicContact CE1-CG 4.34Å; I380-L422 HydrophobicContact CD1-CD1 3.7Å; I380-L422 HydrophobicContact CG1-CD1 4.42Å; I380-L422 HydrophobicContact CG2-CB 4.5Å; I380-L422 HydrophobicContact CG2-CD1 4.05Å; L422-Y447 CarbonylContact C-O 3.59Å; L422-Y447 VanDerWaalsContact CA-O 3.24Å; L422-Y447 WeakPolarHBondContact CA-O 3.33Å; L422-I453 HydrophobicContact CD2-CG1 4.19Å
423	K	94.9	Very high	92.8	Very high	91 Å²	91	41.9 Å²	41.9	40%	0.396	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.9	169.1	-176.4	-171.2	176	-152.4	0	108.4	E425 S446 Y447	K423-E425 WeakPolarHBondContact CE-OE1 3.22Å; K423-E425 IonicContact NZ-OE1 2.67Å; K423-E425 PolarHBondContact NZ-OE1 3.16Å; K423-S446 CarbonylContact O-C 3.6Å; K423-S446 WeakPolarHBondContact O-CA 3.31Å; K423-Y447 PolarHBondContact N-O 3.39Å; K423-Y447 PolarHBondContact O-N 3.14Å
424	C	94.8	Very high	92.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139	-177.7	-60	0	0	0	0	110.9	P333 F334 V444 Y445 S446	P333-C424 WeakPolarHBondContact CA-O 3.32Å; F334-C424 HydrophobicContact CD1-CB 3.9Å; F334-C424 HydrophobicContact CD2-CB 4.14Å; F334-C424 HydrophobicContact CE1-CB 3.32Å; F334-C424 HydrophobicContact CE2-CB 3.64Å; F334-C424 HydrophobicContact CG-CB 4.26Å; F334-C424 HydrophobicContact CZ-CB 3.21Å; F334-C424 PolarHBondContact N-O 3.05Å; F334-C424 VanDerWaalsContact N-O 3.15Å; F334-C424 PolarHBondContact O-N 2.93Å; C424-V444 HydrophobicContact CB-CG1 4.33Å; C424-Y445 CarbonylContact C-O 3.32Å; C424-Y445 VanDerWaalsContact CA-O 3.31Å; C424-Y445 WeakPolarHBondContact CA-O 3.39Å; C424-S446 PolarHBondContact SG-OG 2.88Å
425	E	94.6	Very high	92.2	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123	178	-59.6	-173	172.2	0	0	108.6	P333 K423 V444 Y445 Y447	P333-E425 HydrophobicContact CB-CG 4.38Å; K423-E425 WeakPolarHBondContact CE-OE1 3.22Å; K423-E425 IonicContact NZ-OE1 2.67Å; K423-E425 PolarHBondContact NZ-OE1 3.16Å; E425-V444 WeakPolarHBondContact O-CA 3.5Å; E425-Y445 PolarHBondContact N-O 3.07Å; E425-Y445 PolarHBondContact O-N 3.38Å; E425-Y447 HydrophobicContact CB-CE2 4.47Å; E425-Y447 HydrophobicContact CG-CE2 4.24Å
426	A	94.1	Very high	91.7	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.6	-176.9	0	0	0	0	0	111.1	K330 L331 M442 D443 V444	K330-A426 WeakPolarHBondContact CA-O 3.09Å; L331-A426 HydrophobicContact CB-CB 4.19Å; L331-A426 HydrophobicContact CD1-CB 4.09Å; L331-A426 HydrophobicContact CG-CB 4.37Å; L331-A426 PolarHBondContact N-O 3.43Å; A426-M442 HydrophobicContact CB-SD 4.45Å; A426-D443 CarbonylContact C-O 3.54Å; A426-D443 VanDerWaalsContact CA-O 3.3Å; A426-D443 WeakPolarHBondContact CA-O 3.31Å; A426-V444 HydrophobicContact CB-CG1 4.35Å; A426-V444 HydrophobicContact CB-CG2 3.93Å
427	V	93.9	Very high	91.1	Very high	31 Å²	31	37.8 Å²	37.8	19%	0.188	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.2	179.2	63.5	0	0	0	0	110.6	Q329 K330 A429 M442 D443 Y445	Q329-V427 WeakPolarHBondContact O-CA 3.27Å; K330-V427 HydrophobicContact CG-CG2 4.32Å; V427-A429 PolarHBondContact O-N 2.98Å; V427-A429 VanDerWaalsContact O-N 3.13Å; V427-M442 WeakPolarHBondContact O-CA 3.4Å; V427-M442 WeakPolarHBondContact O-CG 3.43Å; V427-D443 HydrophobicContact CG1-CB 3.85Å; V427-D443 PolarHBondContact N-O 2.81Å; V427-D443 PolarHBondContact O-N 2.9Å; V427-Y445 HydrophobicContact CG1-CE2 4.32Å
428	V	93.3	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	102.9	169.7	179	0	0	0	0	108	A326 G328 Q329 I393 V431 I440 I441	A326-V428 VanDerWaalsContact O-CB 3.25Å; A326-V428 WeakPolarHBondContact O-CB 3.25Å; A326-V428 WeakPolarHBondContact O-CG1 3.49Å; G328-V428 PolarHBondContact N-O 2.91Å; Q329-V428 HydrophobicContact CB-CG2 4.41Å; Q329-V428 PolarHBondContact O-N 3.11Å; I393-V428 HydrophobicContact CD1-CG2 3.71Å; I393-V428 HydrophobicContact CG1-CG2 3.93Å; I393-V428 HydrophobicContact CG2-CG2 4.37Å; V428-V431 HydrophobicContact CG1-CG2 3.98Å; V428-I440 HydrophobicContact CG1-CG2 4.19Å; V428-I441 CarbonylContact C-O 3.58Å
429	A	93.4	Very high	91	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-42.3	-179.4	0	0	0	0	0	110.9	V427 I441 D443 K476	V427-A429 PolarHBondContact O-N 2.98Å; V427-A429 VanDerWaalsContact O-N 3.13Å; A429-I441 HydrophobicContact CB-CB 4.28Å; A429-I441 HydrophobicContact CB-CG2 3.95Å; A429-I441 PolarHBondContact N-O 3.43Å; A429-D443 VanDerWaalsContact CB-OD2 3.31Å; A429-D443 WeakPolarHBondContact CB-OD2 3.4Å; A429-K476 HydrophobicContact CB-CD 4.32Å; A429-K476 WeakPolarHBondContact O-CD 3.37Å; A429-K476 WeakPolarHBondContact O-CE 3.4Å; A429-K476 PolarHBondContact O-NZ 3.04Å
430	D	93.1	Very high	90.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	164.3	-177.7	-136.2	-29.9	0	0	0	114.1	I441 K471 S474	D430-I441 HydrophobicContact CB-CB 4.12Å; D430-I441 HydrophobicContact CB-CG1 4.16Å; D430-I441 PolarHBondContact N-O 3.18Å; D430-I441 PolarHBondContact O-N 2.97Å; D430-K471 WeakPolarHBondContact OD1-CE 3.4Å; D430-K471 IonicContact OD1-NZ 3.88Å; D430-K471 PolarHBondContact OD1-NZ 3.3Å; D430-K471 WeakPolarHBondContact OD2-CE 3.26Å; D430-K471 IonicContact OD2-NZ 2.74Å; D430-K471 PolarHBondContact OD2-NZ 3.04Å; D430-S474 WeakPolarHBondContact OD2-CB 3.27Å; D430-S474 PolarHBondContact OD2-OG 3.07Å
431	V	90.6	Very high	91	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.6	173.7	-174.9	0	0	0	0	109.6	F323 A326 I327 V428 V438 V439 F468	F323-V431 HydrophobicContact CB-CB 4.17Å; F323-V431 HydrophobicContact CB-CG1 3.9Å; F323-V431 HydrophobicContact CB-CG2 4.38Å; F323-V431 HydrophobicContact CD1-CG1 4.37Å; F323-V431 HydrophobicContact CD2-CG1 4.32Å; F323-V431 HydrophobicContact CG-CG1 3.95Å; A326-V431 HydrophobicContact CB-CG2 4.35Å; I327-V431 HydrophobicContact CG1-CG2 4.32Å; V428-V431 HydrophobicContact CG1-CG2 3.98Å; V431-V438 HydrophobicContact CG1-CG2 3.31Å; V431-V439 CarbonylContact C-O 3.58Å; V431-V439 WeakPolarHBondContact CA-O 3.44Å; V431-F468 HydrophobicContact CG1-CZ 4.3Å
432	L	90.4	Very high	91	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.7	-176	-48.8	177.6	0	0	0	112.1	V438 V439 K471 T473	L432-V438 CarbonylContact O-C 3.5Å; L432-V438 WeakPolarHBondContact O-CA 3.46Å; L432-V438 WeakPolarHBondContact O-CG2 3.43Å; L432-V439 HydrophobicContact CB-CB 4.08Å; L432-V439 HydrophobicContact CD1-CB 4.44Å; L432-V439 HydrophobicContact CG-CB 4.47Å; L432-V439 PolarHBondContact N-O 3.06Å; L432-V439 PolarHBondContact O-N 3.49Å; L432-K471 CarbonylContact C-O 3.56Å; L432-K471 VanDerWaalsContact CA-O 3.27Å; L432-K471 WeakPolarHBondContact CA-O 3.34Å; L432-K471 HydrophobicContact CD2-CD 4.38Å; L432-K471 HydrophobicContact CD2-CG 3.8Å; L432-T473 WeakPolarHBondContact CD2-O 3.2Å
433	D	88.5	Confident	91.1	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.2	170.8	-168.8	-10.7	0	0	0	110.2	G435 G467 F468 G469 G470 K471 R472	D433-G435 WeakPolarHBondContact OD1-CA 3.19Å; D433-G435 PolarHBondContact OD1-N 3.16Å; D433-G467 VanDerWaalsContact CG-N 3.34Å; D433-G467 PolarHBondContact OD1-N 2.96Å; D433-G467 WeakPolarHBondContact OD2-CA 3.44Å; D433-G467 PolarHBondContact OD2-N 3.07Å; D433-G467 VanDerWaalsContact OD2-N 3.16Å; D433-F468 HydrophobicContact CB-CD1 4.16Å; D433-F468 HydrophobicContact CB-CE1 3.65Å; D433-F468 HydrophobicContact CB-CE2 4.07Å; D433-F468 HydrophobicContact CB-CZ 3.61Å; D433-F468 PolarHBondContact OD2-N 3.39Å; D433-G469 PolarHBondContact OD2-N 3.17Å; D433-G470 PolarHBondContact OD2-N 3.42Å; D433-K471 PolarHBondContact N-O 3.28Å; D433-R472 WeakPolarHBondContact O-CG 3.13Å
434	K	88.3	Confident	91.2	Very high	77 Å²	77	17.1 Å²	17.1	34%	0.335	10%	0.104	S	C	.	.			trans	-105.7	12.4	175.5	-62.4	-62.5	-170.1	175.2	0	112.7	S436 G437 V439 F461 R472	K434-S436 VanDerWaalsContact C-N 3.31Å; K434-S436 PolarHBondContact O-N 3.41Å; K434-S436 VanDerWaalsContact O-N 3.14Å; K434-G437 PolarHBondContact N-O 3.4Å; K434-V439 HydrophobicContact CG-CG2 3.68Å; K434-F461 HydrophobicContact CB-CE2 3.91Å; K434-F461 HydrophobicContact CG-CE2 4.13Å; K434-R472 WeakPolarHBondContact CE-O 3.2Å; K434-R472 PolarHBondContact NZ-O 2.99Å
435	G	84.5	Confident	91.3	Very high	36 Å²	36	20.4 Å²	20.4	37%	0.371	12%	0.117	S	C	.	.	S	Bend	trans	82.9	-69.5	-177.8	0	0	0	0	0	111.2	D433 G437 G466 G467	D433-G435 WeakPolarHBondContact OD1-CA 3.19Å; D433-G435 PolarHBondContact OD1-N 3.16Å; G435-G437 VanDerWaalsContact C-N 3.29Å; G435-G437 PolarHBondContact O-N 3.16Å; G435-G466 CarbonylContact O-C 3.49Å; G435-G466 VanDerWaalsContact O-CA 3.28Å; G435-G466 WeakPolarHBondContact O-CA 3.29Å; G435-G467 PolarHBondContact O-N 3.07Å; G435-G467 VanDerWaalsContact O-N 3.12Å
436	S	81.5	Confident	91.5	Very high	87 Å²	87	17.2 Å²	17.2	61%	0.608	10%	0.102	S	C	*	.	S	Bend	trans	-81.7	-3.4	179.7	59	0	0	0	0	114.3	K434 G464	K434-S436 VanDerWaalsContact C-N 3.31Å; K434-S436 PolarHBondContact O-N 3.41Å; K434-S436 VanDerWaalsContact O-N 3.14Å; S436-G464 WeakPolarHBondContact O-CA 3.42Å; S436-G464 PolarHBondContact O-N 2.84Å
437	G	83.9	Confident	91.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	171	-179.3	0	0	0	0	0	112.5	K434 G435 L462	K434-G437 PolarHBondContact N-O 3.4Å; G435-G437 VanDerWaalsContact C-N 3.29Å; G435-G437 PolarHBondContact O-N 3.16Å; G437-L462 CarbonylContact C-O 3.13Å; G437-L462 WeakPolarHBondContact CA-O 3.3Å
438	V	88.3	Confident	91.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.2	175.7	64.1	0	0	0	0	109.9	V431 L432 F461 L462 F468	V431-V438 HydrophobicContact CG1-CG2 3.31Å; L432-V438 CarbonylContact O-C 3.5Å; L432-V438 WeakPolarHBondContact O-CA 3.46Å; L432-V438 WeakPolarHBondContact O-CG2 3.43Å; V438-F461 CarbonylContact O-C 3.58Å; V438-F461 WeakPolarHBondContact O-CA 3.41Å; V438-L462 HydrophobicContact CG1-CB 3.68Å; V438-L462 HydrophobicContact CG1-CD1 4.13Å; V438-L462 HydrophobicContact CG1-CG 4.36Å; V438-L462 PolarHBondContact N-O 2.93Å; V438-L462 PolarHBondContact O-N 2.84Å; V438-F468 HydrophobicContact CB-CE1 4.1Å; V438-F468 HydrophobicContact CG2-CE1 3.82Å; V438-F468 HydrophobicContact CG2-CZ 4.08Å
439	V	90.5	Very high	91.2	Very high	10 Å²	10	28.8 Å²	28.8	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.4	169.5	179.5	0	0	0	0	109.1	V431 L432 K434 I441 S459 L460 F461	V431-V439 CarbonylContact C-O 3.58Å; V431-V439 WeakPolarHBondContact CA-O 3.44Å; L432-V439 HydrophobicContact CB-CB 4.08Å; L432-V439 HydrophobicContact CD1-CB 4.44Å; L432-V439 HydrophobicContact CG-CB 4.47Å; L432-V439 PolarHBondContact N-O 3.06Å; L432-V439 PolarHBondContact O-N 3.49Å; K434-V439 HydrophobicContact CG-CG2 3.68Å; V439-I441 HydrophobicContact CG1-CD1 3.52Å; V439-I441 HydrophobicContact CG1-CG1 4.33Å; V439-S459 WeakPolarHBondContact CG1-OG 3.41Å; V439-L460 CarbonylContact C-O 3.56Å; V439-L460 VanDerWaalsContact CA-O 3.24Å; V439-L460 WeakPolarHBondContact CA-O 3.31Å; V439-F461 HydrophobicContact CG2-CD2 3.63Å; V439-F461 HydrophobicContact CG2-CE2 4.28Å
440	I	90.9	Very high	90.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.2	170.3	-56.1	172	0	0	0	108	I393 L396 V428 S459 L460 L462	I393-I440 HydrophobicContact CD1-CD1 4.41Å; I393-I440 HydrophobicContact CD1-CG2 4.32Å; L396-I440 HydrophobicContact CD1-CD1 3.78Å; L396-I440 HydrophobicContact CD2-CD1 3.27Å; L396-I440 HydrophobicContact CG-CD1 4.18Å; V428-I440 HydrophobicContact CG1-CG2 4.19Å; I440-S459 WeakPolarHBondContact O-CA 3.17Å; I440-L460 HydrophobicContact CB-CB 4.49Å; I440-L460 PolarHBondContact N-O 2.82Å; I440-L460 PolarHBondContact O-N 3.43Å; I440-L462 HydrophobicContact CD1-CD1 3.62Å; I440-L462 HydrophobicContact CG1-CD1 4.05Å
441	I	94	Very high	90.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.8	173.3	-50.2	-60.2	0	0	0	107.6	V428 A429 D430 V439 Q457 F458 V477	V428-I441 CarbonylContact C-O 3.58Å; A429-I441 HydrophobicContact CB-CB 4.28Å; A429-I441 HydrophobicContact CB-CG2 3.95Å; A429-I441 PolarHBondContact N-O 3.43Å; D430-I441 HydrophobicContact CB-CB 4.12Å; D430-I441 HydrophobicContact CB-CG1 4.16Å; D430-I441 PolarHBondContact N-O 3.18Å; D430-I441 PolarHBondContact O-N 2.97Å; V439-I441 HydrophobicContact CG1-CD1 3.52Å; V439-I441 HydrophobicContact CG1-CG1 4.33Å; I441-Q457 HydrophobicContact CG2-CG 3.62Å; I441-F458 WeakPolarHBondContact CA-O 3.28Å; I441-V477 HydrophobicContact CD1-CG2 3.68Å; I441-V477 HydrophobicContact CG1-CG2 3.69Å; I441-V477 HydrophobicContact CG2-CG2 4.27Å
442	M	93.8	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.1	-177.5	-166.8	-174.9	70.2	0	0	110.4	L331 S384 L385 A426 V427 V444 Q457 F458	L331-M442 HydrophobicContact CD1-SD 4.05Å; S384-M442 VanDerWaalsContact OG-CE 3.26Å; S384-M442 WeakPolarHBondContact OG-CE 3.34Å; L385-M442 HydrophobicContact CD1-CE 4.1Å; L385-M442 HydrophobicContact CD2-CE 3.07Å; L385-M442 HydrophobicContact CD2-SD 3.52Å; L385-M442 VanDerWaalsContact CD2-SD 3.52Å; L385-M442 HydrophobicContact CG-CE 3.48Å; L385-M442 VanDerWaalsContact CG-CE 3.48Å; L385-M442 HydrophobicContact CG-SD 4.48Å; A426-M442 HydrophobicContact CB-SD 4.45Å; V427-M442 WeakPolarHBondContact O-CA 3.4Å; V427-M442 WeakPolarHBondContact O-CG 3.43Å; M442-V444 HydrophobicContact CE-CG2 3.54Å; M442-Q457 CarbonylContact O-C 3.51Å; M442-Q457 VanDerWaalsContact O-CA 3.31Å; M442-Q457 WeakPolarHBondContact O-CA 3.39Å; M442-F458 HydrophobicContact CE-CB 4.48Å; M442-F458 HydrophobicContact CE-CD2 3.73Å; M442-F458 HydrophobicContact CE-CE2 4.35Å; M442-F458 HydrophobicContact CE-CG 4.33Å; M442-F458 PolarHBondContact N-O 3.49Å; M442-F458 PolarHBondContact O-N 3.48Å
443	D	96.9	Very high	91.4	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136	172.9	-70.6	-43.5	0	0	0	109.7	A426 V427 A429 Y445 H455 N456 Q457	A426-D443 CarbonylContact C-O 3.54Å; A426-D443 VanDerWaalsContact CA-O 3.3Å; A426-D443 WeakPolarHBondContact CA-O 3.31Å; V427-D443 HydrophobicContact CG1-CB 3.85Å; V427-D443 PolarHBondContact N-O 2.81Å; V427-D443 PolarHBondContact O-N 2.9Å; A429-D443 VanDerWaalsContact CB-OD2 3.31Å; A429-D443 WeakPolarHBondContact CB-OD2 3.4Å; D443-Y445 HydrophobicContact CB-CE2 3.71Å; D443-H455 IonicContact OD1-CE1 2.84Å; D443-H455 IonicContact OD1-NE2 3.56Å; D443-H455 PolarHBondContact OD1-NE2 2.87Å; D443-N456 CarbonylContact C-O 3.18Å; D443-N456 WeakPolarHBondContact CA-O 3.46Å; D443-Q457 WeakPolarHBondContact OD1-CB 3.31Å; D443-Q457 VanDerWaalsContact OD1-CG 3.31Å; D443-Q457 WeakPolarHBondContact OD1-CG 3.43Å; D443-Q457 PolarHBondContact OD1-NE2 2.89Å
444	V	96.6	Very high	91.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.7	173.9	-169.2	0	0	0	0	109.2	C424 E425 A426 M442 H455 N456 F458	C424-V444 HydrophobicContact CB-CG1 4.33Å; E425-V444 WeakPolarHBondContact O-CA 3.5Å; A426-V444 HydrophobicContact CB-CG1 4.35Å; A426-V444 HydrophobicContact CB-CG2 3.93Å; M442-V444 HydrophobicContact CE-CG2 3.54Å; V444-H455 WeakPolarHBondContact O-CA 3.36Å; V444-N456 HydrophobicContact CB-CB 4.3Å; V444-N456 PolarHBondContact N-O 2.86Å; V444-N456 PolarHBondContact O-N 3.15Å; V444-F458 HydrophobicContact CB-CE2 4.39Å; V444-F458 HydrophobicContact CG2-CD2 3.97Å; V444-F458 HydrophobicContact CG2-CE2 3.75Å
445	Y	97.3	Very high	92.2	Very high	69 Å²	69	40.5 Å²	40.5	27%	0.271	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	178.2	-59.2	-87	0	0	0	109.3	C424 E425 V427 D443 L452 H455	C424-Y445 CarbonylContact C-O 3.32Å; C424-Y445 VanDerWaalsContact CA-O 3.31Å; C424-Y445 WeakPolarHBondContact CA-O 3.39Å; E425-Y445 PolarHBondContact N-O 3.07Å; E425-Y445 PolarHBondContact O-N 3.38Å; V427-Y445 HydrophobicContact CG1-CE2 4.32Å; D443-Y445 HydrophobicContact CB-CE2 3.71Å; Y445-L452 HydrophobicContact CD1-CD1 4.09Å; Y445-L452 HydrophobicContact CD1-CD2 4.41Å; Y445-H455 HydrophobicContact CD1-CB 4.18Å; Y445-H455 AromaticContact CD1-CD2 3.99Å; Y445-H455 HydrophobicContact CE1-CB 4.24Å; Y445-H455 AromaticContact CE1-CD2 3.59Å; Y445-H455 AromaticContact CE1-CG 3.82Å; Y445-H455 AromaticContact CZ-CD2 3.88Å; Y445-H455 AromaticContact CZ-NE2 3.98Å
446	S	96.9	Very high	92.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.1	-179.6	-55.1	0	0	0	0	111.3	K423 C424 I453 C454	K423-S446 CarbonylContact O-C 3.6Å; K423-S446 WeakPolarHBondContact O-CA 3.31Å; C424-S446 PolarHBondContact SG-OG 2.88Å; S446-I453 PolarHBondContact O-N 2.86Å; S446-C454 WeakPolarHBondContact CB-SG 3.41Å; S446-C454 PolarHBondContact N-O 2.84Å; S446-C454 PolarHBondContact O-N 3.07Å
447	Y	95.4	Very high	93.6	Very high	54 Å²	54	34.9 Å²	34.9	21%	0.212	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.5	-172.5	-56.7	-93.3	0	0	0	111.3	L422 K423 E425 E451 L452	L422-Y447 CarbonylContact C-O 3.59Å; L422-Y447 VanDerWaalsContact CA-O 3.24Å; L422-Y447 WeakPolarHBondContact CA-O 3.33Å; K423-Y447 PolarHBondContact N-O 3.39Å; K423-Y447 PolarHBondContact O-N 3.14Å; E425-Y447 HydrophobicContact CB-CE2 4.47Å; E425-Y447 HydrophobicContact CG-CE2 4.24Å; Y447-E451 CarbonylContact C-O 3.57Å; Y447-E451 WeakPolarHBondContact CA-O 3.34Å; Y447-L452 HydrophobicContact CD1-CB 4.04Å; Y447-L452 HydrophobicContact CD1-CD1 4.12Å; Y447-L452 HydrophobicContact CE1-CB 3.89Å; Y447-L452 HydrophobicContact CE1-CD1 3.74Å; Y447-L452 HydrophobicContact CE1-CG 4.37Å; Y447-L452 HydrophobicContact CE2-CD1 4.43Å
448	S	92.3	Very high	94.2	Very high	42 Å²	42	34.9 Å²	34.9	29%	0.294	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.3	161.9	-167.6	0	0	0	0	107	K450 E451	S448-K450 PolarHBondContact O-N 3.47Å; S448-E451 PolarHBondContact N-O 2.91Å; S448-E451 PolarHBondContact O-N 3.23Å
449	E	87.6	Confident	94.5	Very high	183 Å²	183	35.6 Å²	35.6	86%	0.855	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	-102.8	-167.6	-55.4	-178.1	173.3	0	0	112.6
450	K	88.6	Confident	94.5	Very high	201 Å²	201	35.5 Å²	35.5	87%	0.874	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-5.9	178.1	-65.2	-177.7	-179.7	177.6	0	113.2	S448	S448-K450 PolarHBondContact O-N 3.47Å
451	E	93	Very high	94.3	Very high	90 Å²	90	37.6 Å²	37.6	42%	0.421	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.9	-174.1	-177.4	163.6	-128.2	0	0	111.1	K414 Y447 S448 I453	K414-E451 VanDerWaalsContact CE-CD 3.43Å; K414-E451 WeakPolarHBondContact CE-OE1 3.39Å; K414-E451 WeakPolarHBondContact CE-OE2 3.14Å; K414-E451 IonicContact NZ-OE1 2.69Å; K414-E451 PolarHBondContact NZ-OE1 2.95Å; K414-E451 IonicContact NZ-OE2 3.13Å; K414-E451 PolarHBondContact NZ-OE2 2.85Å; Y447-E451 CarbonylContact C-O 3.57Å; Y447-E451 WeakPolarHBondContact CA-O 3.34Å; S448-E451 PolarHBondContact N-O 2.91Å; S448-E451 PolarHBondContact O-N 3.23Å; E451-I453 HydrophobicContact CG-CD1 4.34Å; E451-I453 PolarHBondContact O-N 2.92Å
452	L	95.3	Very high	93.8	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.225	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.2	175.9	-178.9	64.2	0	0	0	109.8	Y413 Y445 Y447	Y413-L452 HydrophobicContact CD2-CD2 3.81Å; Y413-L452 HydrophobicContact CD2-CG 3.77Å; Y413-L452 HydrophobicContact CE1-CD2 4.41Å; Y413-L452 HydrophobicContact CE2-CD2 3.47Å; Y413-L452 VanDerWaalsContact CE2-CD2 3.47Å; Y413-L452 HydrophobicContact CE2-CG 3.88Å; Y413-L452 HydrophobicContact CG-CD2 4.43Å; Y413-L452 HydrophobicContact CG-CG 4.46Å; Y445-L452 HydrophobicContact CD1-CD1 4.09Å; Y445-L452 HydrophobicContact CD1-CD2 4.41Å; Y447-L452 HydrophobicContact CD1-CB 4.04Å; Y447-L452 HydrophobicContact CD1-CD1 4.12Å; Y447-L452 HydrophobicContact CE1-CB 3.89Å; Y447-L452 HydrophobicContact CE1-CD1 3.74Å; Y447-L452 HydrophobicContact CE1-CG 4.37Å; Y447-L452 HydrophobicContact CE2-CD1 4.43Å
453	I	95.7	Very high	93.2	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-48.6	-178.6	-59.4	-58.8	0	0	0	110.9	Y413 K414 L416 L422 S446 E451	Y413-I453 PolarHBondContact N-O 2.8Å; K414-I453 HydrophobicContact CB-CD1 4.43Å; L416-I453 HydrophobicContact CD2-CG2 3.87Å; L422-I453 HydrophobicContact CD2-CG1 4.19Å; S446-I453 PolarHBondContact O-N 2.86Å; E451-I453 HydrophobicContact CG-CD1 4.34Å; E451-I453 PolarHBondContact O-N 2.92Å
454	C	95.4	Very high	92.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.9	-179.9	71.7	0	0	0	0	113.6	L410 E411 L412 S446	L410-C454 HydrophobicContact CD1-CB 4.11Å; E411-C454 CarbonylContact O-C 3.52Å; E411-C454 VanDerWaalsContact O-CA 3.26Å; E411-C454 WeakPolarHBondContact O-CA 3.43Å; L412-C454 HydrophobicContact CD2-CB 3.36Å; S446-C454 WeakPolarHBondContact CB-SG 3.41Å; S446-C454 PolarHBondContact N-O 2.84Å; S446-C454 PolarHBondContact O-N 3.07Å
455	H	97.9	Very high	91	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	170.2	169	-142.3	0	0	0	108.7	Y409 L410 E411 Y413 D443 V444 Y445	Y409-H455 AromaticContact CE1-ND1 3.95Å; L410-H455 CarbonylContact C-O 3.54Å; L410-H455 WeakPolarHBondContact CA-O 3.41Å; E411-H455 PolarHBondContact N-O 3.16Å; E411-H455 PolarHBondContact O-N 2.85Å; Y413-H455 HydrophobicContact CE2-CB 3.94Å; D443-H455 IonicContact OD1-CE1 2.84Å; D443-H455 IonicContact OD1-NE2 3.56Å; D443-H455 PolarHBondContact OD1-NE2 2.87Å; V444-H455 WeakPolarHBondContact O-CA 3.36Å; Y445-H455 HydrophobicContact CD1-CB 4.18Å; Y445-H455 AromaticContact CD1-CD2 3.99Å; Y445-H455 HydrophobicContact CE1-CB 4.24Å; Y445-H455 AromaticContact CE1-CD2 3.59Å; Y445-H455 AromaticContact CE1-CG 3.82Å; Y445-H455 AromaticContact CZ-CD2 3.88Å; Y445-H455 AromaticContact CZ-NE2 3.98Å
456	N	97.9	Very high	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.5	170.8	-72.2	-85	0	0	0	109.8	G377 V378 Q408 Y409 L410 D443 V444 F458	G377-N456 PolarHBondContact O-ND2 2.8Å; V378-N456 WeakPolarHBondContact CA-OD1 3.44Å; Q408-N456 PolarHBondContact NE2-OD1 2.96Å; Y409-N456 WeakPolarHBondContact O-CA 3.14Å; L410-N456 WeakPolarHBondContact CD1-OD1 3.25Å; D443-N456 CarbonylContact C-O 3.18Å; D443-N456 WeakPolarHBondContact CA-O 3.46Å; V444-N456 HydrophobicContact CB-CB 4.3Å; V444-N456 PolarHBondContact N-O 2.86Å; V444-N456 PolarHBondContact O-N 3.15Å; N456-F458 HydrophobicContact CB-CD2 4.16Å; N456-F458 HydrophobicContact CB-CE2 3.46Å; N456-F458 VanDerWaalsContact CB-CE2 3.46Å; N456-F458 HydrophobicContact CB-CZ 3.96Å
457	Q	97.8	Very high	89.2	Confident	6 Å²	6	46 Å²	46	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.6	165.1	-174.6	179.4	92	0	0	109.7	Y409 I441 M442 D443 K476	Y409-Q457 HydrophobicContact CD1-CB 4.41Å; Y409-Q457 PolarHBondContact N-O 2.71Å; Y409-Q457 PolarHBondContact O-N 3.45Å; I441-Q457 HydrophobicContact CG2-CG 3.62Å; M442-Q457 CarbonylContact O-C 3.51Å; M442-Q457 VanDerWaalsContact O-CA 3.31Å; M442-Q457 WeakPolarHBondContact O-CA 3.39Å; D443-Q457 WeakPolarHBondContact OD1-CB 3.31Å; D443-Q457 VanDerWaalsContact OD1-CG 3.31Å; D443-Q457 WeakPolarHBondContact OD1-CG 3.43Å; D443-Q457 PolarHBondContact OD1-NE2 2.89Å; Q457-K476 PolarHBondContact NE2-O 2.82Å
458	F	95.6	Very high	88.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.9	178.8	-61.5	-90.8	0	0	0	109.6	Q382 L385 H405 I441 M442 V444 N456	Q382-F458 HydrophobicContact CB-CE1 4.27Å; Q382-F458 HydrophobicContact CB-CZ 4.22Å; L385-F458 HydrophobicContact CD1-CB 4.2Å; L385-F458 HydrophobicContact CD1-CD1 3.65Å; L385-F458 HydrophobicContact CD1-CD2 4.29Å; L385-F458 HydrophobicContact CD1-CE1 4.06Å; L385-F458 HydrophobicContact CD1-CG 3.79Å; H405-F458 AromaticContact CE1-CD1 3.58Å; H405-F458 AromaticContact NE2-CD1 3.72Å; I441-F458 WeakPolarHBondContact CA-O 3.28Å; M442-F458 HydrophobicContact CE-CB 4.48Å; M442-F458 HydrophobicContact CE-CD2 3.73Å; M442-F458 HydrophobicContact CE-CE2 4.35Å; M442-F458 HydrophobicContact CE-CG 4.33Å; M442-F458 PolarHBondContact N-O 3.49Å; M442-F458 PolarHBondContact O-N 3.48Å; V444-F458 HydrophobicContact CB-CE2 4.39Å; V444-F458 HydrophobicContact CG2-CD2 3.97Å; V444-F458 HydrophobicContact CG2-CE2 3.75Å; N456-F458 HydrophobicContact CB-CD2 4.16Å; N456-F458 HydrophobicContact CB-CE2 3.46Å; N456-F458 VanDerWaalsContact CB-CE2 3.46Å; N456-F458 HydrophobicContact CB-CZ 3.96Å
459	S	94.5	Very high	87.7	Confident	14 Å²	14	46.9 Å²	46.9	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.9	171.1	175.4	0	0	0	0	109.3	G406 E407 V439 I440	G406-S459 PolarHBondContact N-O 2.73Å; E407-S459 PolarHBondContact N-O 2.75Å; E407-S459 WeakPolarHBondContact O-CB 3.42Å; E407-S459 PolarHBondContact O-N 3.33Å; V439-S459 WeakPolarHBondContact CG1-OG 3.41Å; I440-S459 WeakPolarHBondContact O-CA 3.17Å
460	L	90.6	Very high	87.4	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	-177.1	-57.1	176.5	0	0	0	110.3	L385 L390 V403 V439 I440	L385-L460 HydrophobicContact CD1-CD1 4.24Å; L385-L460 HydrophobicContact CD1-CD2 4.26Å; L385-L460 HydrophobicContact CD2-CD1 3.59Å; L390-L460 HydrophobicContact CD1-CD1 3.94Å; L390-L460 HydrophobicContact CD2-CD1 3.65Å; L390-L460 HydrophobicContact CG-CD1 4.39Å; V403-L460 HydrophobicContact CG1-CB 4.43Å; V403-L460 HydrophobicContact CG1-CD2 4.5Å; V439-L460 CarbonylContact C-O 3.56Å; V439-L460 VanDerWaalsContact CA-O 3.24Å; V439-L460 WeakPolarHBondContact CA-O 3.31Å; I440-L460 HydrophobicContact CB-CB 4.49Å; I440-L460 PolarHBondContact N-O 2.82Å; I440-L460 PolarHBondContact O-N 3.43Å
461	F	87.8	Confident	87.4	Confident	47 Å²	47	34.3 Å²	34.3	21%	0.206	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.5	177.8	-173.1	-109.7	0	0	0	110.2	L404 K434 V438 V439 V463	L404-F461 HydrophobicContact CB-CB 4.41Å; L404-F461 PolarHBondContact N-O 2.81Å; L404-F461 PolarHBondContact O-N 2.79Å; K434-F461 HydrophobicContact CB-CE2 3.91Å; K434-F461 HydrophobicContact CG-CE2 4.13Å; V438-F461 CarbonylContact O-C 3.58Å; V438-F461 WeakPolarHBondContact O-CA 3.41Å; V439-F461 HydrophobicContact CG2-CD2 3.63Å; V439-F461 HydrophobicContact CG2-CE2 4.28Å; F461-V463 HydrophobicContact CD1-CG2 3.8Å; F461-V463 HydrophobicContact CE1-CB 4.47Å; F461-V463 HydrophobicContact CE1-CG2 3.79Å
462	L	83.3	Confident	87.2	Confident	6 Å²	6	37 Å²	37	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.9	174.1	-68.2	85.2	0	0	0	109.3	L396 I398 V403 G437 V438 I440	L396-L462 HydrophobicContact CD1-CD2 4.08Å; I398-L462 HydrophobicContact CG1-CD2 4.15Å; I398-L462 HydrophobicContact CG2-CD2 4.29Å; V403-L462 HydrophobicContact CG2-CD2 4.22Å; V403-L462 HydrophobicContact CG2-CG 4.08Å; G437-L462 CarbonylContact C-O 3.13Å; G437-L462 WeakPolarHBondContact CA-O 3.3Å; V438-L462 HydrophobicContact CG1-CB 3.68Å; V438-L462 HydrophobicContact CG1-CD1 4.13Å; V438-L462 HydrophobicContact CG1-CG 4.36Å; V438-L462 PolarHBondContact N-O 2.93Å; V438-L462 PolarHBondContact O-N 2.84Å; I440-L462 HydrophobicContact CD1-CD1 3.62Å; I440-L462 HydrophobicContact CG1-CD1 4.05Å
463	V	80.3	Confident	86.9	Confident	58 Å²	58	40.1 Å²	40.1	35%	0.352	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.6	-178.3	-172.6	0	0	0	0	110.4	K402 L404 F461	K402-V463 HydrophobicContact CB-CB 4.4Å; K402-V463 PolarHBondContact O-N 2.94Å; K402-V463 VanDerWaalsContact O-N 3.12Å; L404-V463 HydrophobicContact CD1-CG2 3.87Å; L404-V463 HydrophobicContact CG-CG2 4.32Å; F461-V463 HydrophobicContact CD1-CG2 3.8Å; F461-V463 HydrophobicContact CE1-CB 4.47Å; F461-V463 HydrophobicContact CE1-CG2 3.79Å
464	G	74.9	Confident	86.7	Confident	60 Å²	60	40.7 Å²	40.7	62%	0.619	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	4.8	173.9	0	0	0	0	0	115.6	S436	S436-G464 WeakPolarHBondContact O-CA 3.42Å; S436-G464 PolarHBondContact O-N 2.84Å
465	S	74.1	Confident	86.5	Confident	52 Å²	52	47.8 Å²	47.8	36%	0.364	30%	0.303	S	S	.	.			trans	-113.8	24.1	-178.5	-55.1	0	0	0	0	113.5
466	G	78.4	Confident	86.3	Confident	25 Å²	25	52 Å²	52	26%	0.258	32%	0.322	S	S	.	.			trans	-98.1	-172.7	177	0	0	0	0	0	113.3	G435	G435-G466 CarbonylContact O-C 3.49Å; G435-G466 VanDerWaalsContact O-CA 3.28Å; G435-G466 WeakPolarHBondContact O-CA 3.29Å
467	G	77	Confident	86	Confident	60 Å²	60	53.5 Å²	53.5	62%	0.619	33%	0.33	S	S	*	.			trans	86.4	18.1	175.5	0	0	0	0	0	114.8	D433 G435	D433-G467 VanDerWaalsContact CG-N 3.34Å; D433-G467 PolarHBondContact OD1-N 2.96Å; D433-G467 WeakPolarHBondContact OD2-CA 3.44Å; D433-G467 PolarHBondContact OD2-N 3.07Å; D433-G467 VanDerWaalsContact OD2-N 3.16Å; G435-G467 PolarHBondContact O-N 3.07Å; G435-G467 VanDerWaalsContact O-N 3.12Å
468	F	79.5	Confident	85.9	Confident	52 Å²	52	56.7 Å²	56.7	23%	0.228	34%	0.344	C	S	.	.	S	Bend	trans	-90.5	3.9	179.1	63.2	-92.3	0	0	0	113.6	F323 V431 D433 V438	F323-F468 HydrophobicContact CD2-CD1 4.2Å; F323-F468 HydrophobicContact CD2-CD2 4.04Å; F323-F468 AromaticContact CD2-CE1 3.97Å; F323-F468 HydrophobicContact CD2-CE1 3.97Å; F323-F468 AromaticContact CD2-CE2 3.78Å; F323-F468 HydrophobicContact CD2-CE2 3.78Å; F323-F468 HydrophobicContact CD2-CG 4.24Å; F323-F468 AromaticContact CD2-CZ 3.75Å; F323-F468 HydrophobicContact CD2-CZ 3.75Å; F323-F468 AromaticContact CE2-CD1 3.97Å; F323-F468 HydrophobicContact CE2-CD1 3.97Å; F323-F468 AromaticContact CE2-CE1 3.94Å; F323-F468 HydrophobicContact CE2-CE1 3.94Å; F323-F468 HydrophobicContact CE2-CE2 4.5Å; F323-F468 HydrophobicContact CE2-CG 4.28Å; F323-F468 HydrophobicContact CE2-CZ 4.21Å; V431-F468 HydrophobicContact CG1-CZ 4.3Å; D433-F468 HydrophobicContact CB-CD1 4.16Å; D433-F468 HydrophobicContact CB-CE1 3.65Å; D433-F468 HydrophobicContact CB-CE2 4.07Å; D433-F468 HydrophobicContact CB-CZ 3.61Å; D433-F468 PolarHBondContact OD2-N 3.39Å; V438-F468 HydrophobicContact CB-CE1 4.1Å; V438-F468 HydrophobicContact CG2-CE1 3.82Å; V438-F468 HydrophobicContact CG2-CZ 4.08Å
469	G	77.4	Confident	85.8	Confident	64 Å²	64	61.9 Å²	61.9	66%	0.66	38%	0.375	S	S	*	.			trans	78.2	21.8	176.3	0	0	0	0	0	113.9	D433	D433-G469 PolarHBondContact OD2-N 3.17Å
470	G	81.1	Confident	85.8	Confident	25 Å²	25	62.1 Å²	62.1	26%	0.258	38%	0.379	S	S	.	.			trans	-74.2	169.9	176.2	0	0	0	0	0	113.6	D433	D433-G470 PolarHBondContact OD2-N 3.42Å
471	K	88.3	Confident	86	Confident	95 Å²	95	64 Å²	64	41%	0.413	39%	0.39	S	S	.	.			trans	-65.1	143.5	174.5	67.1	-177.1	-174.8	-177.1	0	110.9	D430 L432 D433 T473	D430-K471 WeakPolarHBondContact OD1-CE 3.4Å; D430-K471 IonicContact OD1-NZ 3.88Å; D430-K471 PolarHBondContact OD1-NZ 3.3Å; D430-K471 WeakPolarHBondContact OD2-CE 3.26Å; D430-K471 IonicContact OD2-NZ 2.74Å; D430-K471 PolarHBondContact OD2-NZ 3.04Å; L432-K471 CarbonylContact C-O 3.56Å; L432-K471 VanDerWaalsContact CA-O 3.27Å; L432-K471 WeakPolarHBondContact CA-O 3.34Å; L432-K471 HydrophobicContact CD2-CD 4.38Å; L432-K471 HydrophobicContact CD2-CG 3.8Å; D433-K471 PolarHBondContact N-O 3.28Å; K471-T473 WeakPolarHBondContact CD-O 3.48Å; K471-T473 WeakPolarHBondContact CG-O 3.36Å
472	R	89.3	Confident	86.3	Confident	146 Å²	146	64.7 Å²	64.7	55%	0.551	40%	0.404	S	S	*	.	S	Bend	trans	-89.2	-15.5	-178.6	-60.4	-175.2	65.2	84	-4.1	113.2	D433 K434	D433-R472 WeakPolarHBondContact O-CG 3.13Å; K434-R472 WeakPolarHBondContact CE-O 3.2Å; K434-R472 PolarHBondContact NZ-O 2.99Å
473	T	88.8	Confident	86.9	Confident	108 Å²	108	67 Å²	67	66%	0.663	42%	0.416	S	S	*	.			trans	-136.1	159.9	-175.4	54.3	0	0	0	0	110.3	L432 K471	L432-T473 WeakPolarHBondContact CD2-O 3.2Å; K471-T473 WeakPolarHBondContact CD-O 3.48Å; K471-T473 WeakPolarHBondContact CG-O 3.36Å
474	S	91.6	Very high	87.7	Confident	21 Å²	21	65 Å²	65	15%	0.147	41%	0.405	C	S	.	.			trans	-141.1	139	176	168.3	0	0	0	0	109.9	D430 K476	D430-S474 WeakPolarHBondContact OD2-CB 3.27Å; D430-S474 PolarHBondContact OD2-OG 3.07Å; S474-K476 VanDerWaalsContact C-N 3.26Å; S474-K476 WeakPolarHBondContact OG-CB 3.25Å; S474-K476 PolarHBondContact OG-N 3.21Å
475	D	91.4	Very high	88.7	Confident	148 Å²	148	70.6 Å²	70.6	79%	0.791	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.9	170.7	59.6	-35.2	0	0	0	112.8
476	K	91.8	Very high	89.8	Confident	98 Å²	98	72.7 Å²	72.7	43%	0.426	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.1	176.9	-57.5	-178.8	-178.6	-177.7	0	113.6	A429 Q457 S474	A429-K476 HydrophobicContact CB-CD 4.32Å; A429-K476 WeakPolarHBondContact O-CD 3.37Å; A429-K476 WeakPolarHBondContact O-CE 3.4Å; A429-K476 PolarHBondContact O-NZ 3.04Å; Q457-K476 PolarHBondContact NE2-O 2.82Å; S474-K476 VanDerWaalsContact C-N 3.26Å; S474-K476 WeakPolarHBondContact OG-CB 3.25Å; S474-K476 PolarHBondContact OG-N 3.21Å
477	V	93.3	Very high	90.7	Very high	31 Å²	31	76.5 Å²	76.5	19%	0.188	44%	0.441	C	S	.	.	S	Bend	trans	-75.3	127.4	-178.2	173.8	0	0	0	0	110.2	I441 V479	I441-V477 HydrophobicContact CD1-CG2 3.68Å; I441-V477 HydrophobicContact CG1-CG2 3.69Å; I441-V477 HydrophobicContact CG2-CG2 4.27Å; V477-V479 PolarHBondContact O-N 3.31Å
478	K	95.1	Very high	91.7	Very high	73 Å²	73	75.9 Å²	75.9	32%	0.317	43%	0.425	S	S	.	.			trans	-66	115.7	168.1	-65.2	-73.9	-175.2	162.9	0	108.8	Y409 E411 A480 K559	Y409-K478 HydrophobicContact CD1-CB 4.34Å; Y409-K478 HydrophobicContact CD1-CD 4.35Å; Y409-K478 HydrophobicContact CD1-CG 3.73Å; Y409-K478 HydrophobicContact CD2-CB 3.85Å; Y409-K478 HydrophobicContact CD2-CG 4.03Å; Y409-K478 HydrophobicContact CE1-CD 4.01Å; Y409-K478 HydrophobicContact CE1-CG 3.92Å; Y409-K478 HydrophobicContact CE2-CB 4.29Å; Y409-K478 HydrophobicContact CE2-CD 4.18Å; Y409-K478 HydrophobicContact CE2-CG 4.19Å; Y409-K478 HydrophobicContact CG-CB 3.85Å; Y409-K478 HydrophobicContact CG-CG 3.77Å; E411-K478 IonicContact OE2-NZ 2.7Å; K478-A480 PolarHBondContact O-N 3.49Å; K478-K559 HydrophobicContact CB-CD 4.34Å; K478-K559 WeakPolarHBondContact O-CD 3.4Å; K478-K559 WeakPolarHBondContact O-CE 3.42Å; K478-K559 PolarHBondContact O-NZ 2.93Å
479	V	94.3	Very high	92.6	Very high	108 Å²	108	77.3 Å²	77.3	66%	0.655	44%	0.436	S	S	*	.			trans	-69.3	127.7	-169.9	-179.9	0	0	0	0	111.3	V477 Y601	V477-V479 PolarHBondContact O-N 3.31Å; V479-Y601 WeakPolarHBondContact O-CE1 3.3Å
480	A	93	Very high	93.6	Very high	20 Å²	20	74.9 Å²	74.9	17%	0.165	41%	0.409	C	S	.	.			trans	-75.5	139.5	167	0	0	0	0	0	109.9	K478 K559 N599	K478-A480 PolarHBondContact O-N 3.49Å; A480-K559 HydrophobicContact CB-CG 4.3Å; A480-N599 HydrophobicContact CB-CB 3.88Å; A480-N599 VanDerWaalsContact CB-O 3.31Å; A480-N599 WeakPolarHBondContact CB-O 3.04Å
481	V	94.6	Very high	94.4	Very high	46 Å²	46	76.6 Å²	76.6	28%	0.279	42%	0.415	S	S	.	.			trans	-121.1	132.2	-170.4	-173.7	0	0	0	0	110.1	N599 A600 Y601	V481-N599 PolarHBondContact N-O 3.38Å; V481-N599 VanDerWaalsContact N-O 3.15Å; V481-N599 CarbonylContact O-C 3.5Å; V481-N599 WeakPolarHBondContact O-CA 3.43Å; V481-A600 PolarHBondContact O-N 3.29Å; V481-Y601 HydrophobicContact CB-CD1 4.18Å; V481-Y601 HydrophobicContact CG2-CD1 3.96Å; V481-Y601 HydrophobicContact CG2-CE1 3.9Å
482	A	94.8	Very high	94.9	Very high	62 Å²	62	74.2 Å²	74.2	51%	0.512	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-59.1	155.2	177.3	0	0	0	0	0	112.2	H584 N599	A482-H584 PolarHBondContact O-ND1 2.84Å; A482-N599 WeakPolarHBondContact CA-OD1 3.21Å
483	I	96.4	Very high	95.2	Very high	55 Å²	55	70.6 Å²	70.6	28%	0.282	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-69.8	151.1	172.5	58.1	159.3	0	0	0	110.7	W577 Q586	I483-W577 HydrophobicContact CB-CE3 4.21Å; I483-W577 HydrophobicContact CB-CH2 4.3Å; I483-W577 HydrophobicContact CB-CZ3 4.1Å; I483-W577 HydrophobicContact CD1-CH2 3.71Å; I483-W577 HydrophobicContact CD1-CZ2 3.86Å; I483-W577 HydrophobicContact CD1-CZ3 4.32Å; I483-W577 HydrophobicContact CG2-CE3 4.02Å; I483-W577 HydrophobicContact CG2-CH2 4.21Å; I483-W577 HydrophobicContact CG2-CZ3 3.69Å; I483-Q586 HydrophobicContact CG2-CB 4.16Å; I483-Q586 HydrophobicContact CG2-CG 4.47Å
484	P	96.9	Very high	95.6	Very high	17 Å²	17	66 Å²	66	11%	0.11	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-60.7	142	172.9	-26.9	37.6	0	0	0	112.6	R486 W577 E579 H584	P484-R486 HydrophobicContact CB-CG 4.03Å; P484-R486 PolarHBondContact O-N 3.46Å; P484-W577 HydrophobicContact CB-CB 4.49Å; P484-W577 HydrophobicContact CB-CG 4.34Å; P484-W577 HydrophobicContact CG-CB 3.75Å; P484-W577 HydrophobicContact CG-CG 4.01Å; P484-E579 HydrophobicContact CG-CG 4.46Å; P484-E579 WeakPolarHBondContact CG-OE1 3.24Å; P484-H584 HydrophobicContact CG-CB 4.33Å
485	N	95.2	Very high	95.9	Very high	177 Å²	177	69.9 Å²	69.9	95%	0.947	40%	0.395	S	S	*	.	S	Bend	trans	-80.3	62.1	178.1	-170.1	26.9	0	0	0	111.8
486	R	97.3	Very high	96.2	Very high	96 Å²	96	63 Å²	63	36%	0.362	36%	0.358	S	S	.	.	S	Bend	trans	-154.6	167	176.7	63.8	178	-176.9	84.2	-9.7	109.9	P484 D489 W577 K578	P484-R486 HydrophobicContact CB-CG 4.03Å; P484-R486 PolarHBondContact O-N 3.46Å; R486-D489 IonicContact CZ-OD1 3.51Å; R486-D489 IonicContact CZ-OD2 3.54Å; R486-D489 VanDerWaalsContact NH1-CG 3.3Å; R486-D489 IonicContact NH1-OD1 3.65Å; R486-D489 PolarHBondContact NH1-OD1 2.75Å; R486-D489 IonicContact NH1-OD2 2.93Å; R486-D489 PolarHBondContact NH1-OD2 3.18Å; R486-D489 IonicContact NH2-OD1 3.65Å; R486-D489 PolarHBondContact NH2-OD1 3.1Å; R486-D489 IonicContact NH2-OD2 2.68Å; R486-D489 PolarHBondContact NH2-OD2 3.11Å; R486-W577 PolarHBondContact O-NE1 2.91Å; R486-K578 PolarHBondContact NH2-O 3.29Å
487	P	97.8	Very high	96.5	Very high	105 Å²	105	61.1 Å²	61.1	68%	0.682	36%	0.357	S	S	*	.			trans	-58.5	148.2	173.3	-24.8	35.4	0	0	0	112.9	W577	P487-W577 VanDerWaalsContact C-NE1 3.29Å; P487-W577 PolarHBondContact O-NE1 3.17Å
488	P	98.1	Very high	96.6	Very high	46 Å²	46	66.2 Å²	66.2	30%	0.299	38%	0.383	S	S	.	.			trans	-64.9	146.5	177	26.4	-33.2	0	0	0	111.9	V491 E575 M576 W577	P488-V491 HydrophobicContact CB-CG2 4.07Å; P488-V491 HydrophobicContact CG-CG2 3.6Å; P488-E575 HydrophobicContact CB-CB 4.13Å; P488-E575 HydrophobicContact CG-CB 4.4Å; P488-M576 CarbonylContact C-O 3.56Å; P488-W577 VanDerWaalsContact CA-CE2 3.5Å; P488-W577 VanDerWaalsContact CA-NE1 3.32Å; P488-W577 HydrophobicContact CB-CD2 4.14Å; P488-W577 HydrophobicContact CB-CH2 4.17Å; P488-W577 HydrophobicContact CB-CZ2 3.71Å; P488-W577 HydrophobicContact CG-CZ2 4.18Å
489	D	98.3	Very high	96.7	Very high	83 Å²	83	68.2 Å²	68.2	44%	0.444	40%	0.397	S	S	.	.	S	Bend	trans	-76.1	-30.7	175.3	-61.3	-47.1	0	0	0	111.8	R486 M576 W577 K578	R486-D489 IonicContact CZ-OD1 3.51Å; R486-D489 IonicContact CZ-OD2 3.54Å; R486-D489 VanDerWaalsContact NH1-CG 3.3Å; R486-D489 IonicContact NH1-OD1 3.65Å; R486-D489 PolarHBondContact NH1-OD1 2.75Å; R486-D489 IonicContact NH1-OD2 2.93Å; R486-D489 PolarHBondContact NH1-OD2 3.18Å; R486-D489 IonicContact NH2-OD1 3.65Å; R486-D489 PolarHBondContact NH2-OD1 3.1Å; R486-D489 IonicContact NH2-OD2 2.68Å; R486-D489 PolarHBondContact NH2-OD2 3.11Å; D489-M576 PolarHBondContact N-O 3.06Å; D489-W577 WeakPolarHBondContact OD2-CA 3.21Å; D489-K578 PolarHBondContact OD2-N 3.11Å
490	A	98.3	Very high	96.9	Very high	12 Å²	12	63.7 Å²	63.7	10%	0.099	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.4	176.9	0	0	0	0	0	111.3	Q546 F547 M576	A490-Q546 HydrophobicContact CB-CG 3.77Å; A490-F547 HydrophobicContact CB-CE2 4.39Å; A490-F547 HydrophobicContact CB-CZ 4.08Å; A490-M576 HydrophobicContact CB-CB 4.42Å; A490-M576 HydrophobicContact CB-CE 3.98Å; A490-M576 PolarHBondContact N-O 3.01Å; A490-M576 PolarHBondContact O-N 3.08Å
491	V	98.4	Very high	97.1	Very high	62 Å²	62	62.9 Å²	62.9	38%	0.376	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.1	177.7	-180	0	0	0	0	107.8	P488 Q573 T574 E575	P488-V491 HydrophobicContact CB-CG2 4.07Å; P488-V491 HydrophobicContact CG-CG2 3.6Å; V491-Q573 HydrophobicContact CG1-CG 3.56Å; V491-T574 WeakPolarHBondContact CA-O 3.13Å; V491-E575 HydrophobicContact CG1-CG 4.37Å; V491-E575 HydrophobicContact CG2-CG 4.17Å
492	L	97.4	Very high	97.3	Very high	45 Å²	45	62.5 Å²	62.5	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.2	178	-65.6	178.5	0	0	0	110.4	R542 Q546 T574 M576	L492-R542 HydrophobicContact CB-CB 4.3Å; L492-R542 HydrophobicContact CB-CG 4.21Å; L492-R542 HydrophobicContact CD1-CB 4.02Å; L492-R542 HydrophobicContact CD1-CG 4.41Å; L492-Q546 HydrophobicContact CD1-CB 4.2Å; L492-T574 PolarHBondContact N-O 3.49Å; L492-T574 PolarHBondContact O-N 2.7Å; L492-M576 HydrophobicContact CB-CE 3.97Å; L492-M576 HydrophobicContact CD1-CE 3.88Å; L492-M576 HydrophobicContact CG-CE 3.73Å
493	T	97.4	Very high	97.4	Very high	70 Å²	70	62.4 Å²	62.4	43%	0.429	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	-175.5	54.7	0	0	0	0	112.7	L572 Q573	T493-L572 CarbonylContact C-O 3.46Å; T493-L572 WeakPolarHBondContact CA-O 3.42Å; T493-Q573 HydrophobicContact CG2-CB 4.13Å; T493-Q573 HydrophobicContact CG2-CG 4.1Å
494	D	96.7	Very high	97.5	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.064	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	116.6	176.7	-75	-78.4	0	0	0	110.8	T496 F538 R541 R542 T571 L572	D494-T496 PolarHBondContact O-N 3.17Å; D494-F538 HydrophobicContact CB-CD1 3.57Å; D494-F538 HydrophobicContact CB-CE1 3.81Å; D494-R541 IonicContact OD1-NH2 3.41Å; D494-R541 PolarHBondContact OD1-NH2 2.93Å; D494-R541 IonicContact OD2-NH2 2.68Å; D494-R542 VanDerWaalsContact CG-NE 3.29Å; D494-R542 IonicContact OD1-CZ 2.67Å; D494-R542 VanDerWaalsContact OD1-CZ 3.26Å; D494-R542 IonicContact OD1-NE 3.52Å; D494-R542 PolarHBondContact OD1-NE 2.71Å; D494-R542 VanDerWaalsContact OD1-NE 3.11Å; D494-R542 IonicContact OD1-NH2 3.83Å; D494-R542 PolarHBondContact OD1-NH2 2.87Å; D494-R542 WeakPolarHBondContact OD2-CG 2.82Å; D494-R542 IonicContact OD2-CZ 2.7Å; D494-R542 IonicContact OD2-NE 2.67Å; D494-R542 PolarHBondContact OD2-NE 2.9Å; D494-R542 IonicContact OD2-NH2 3.95Å; D494-T571 WeakPolarHBondContact O-CA 3.34Å; D494-L572 HydrophobicContact CB-CB 4.46Å; D494-L572 PolarHBondContact N-O 3.01Å; D494-L572 PolarHBondContact O-N 3Å
495	T	97.4	Very high	97.4	Very high	102 Å²	102	60.8 Å²	60.8	63%	0.626	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.9	169.1	-54	0	0	0	0	109.3	T571	T495-T571 PolarHBondContact OG1-OG1 2.97Å
496	T	98	Very high	97.5	Very high	4 Å²	4	56 Å²	56	3%	0.025	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.4	148.9	176.3	63.2	0	0	0	0	110.6	D494 L530 F538 G569 Q570 L572	D494-T496 PolarHBondContact O-N 3.17Å; T496-L530 HydrophobicContact CG2-CD2 3.96Å; T496-F538 HydrophobicContact CG2-CE1 4.5Å; T496-F538 HydrophobicContact CG2-CE2 4.28Å; T496-F538 HydrophobicContact CG2-CZ 4.12Å; T496-G569 WeakPolarHBondContact O-CA 3.45Å; T496-G569 PolarHBondContact O-N 3.24Å; T496-G569 PolarHBondContact OG1-N 3.02Å; T496-Q570 PolarHBondContact N-O 2.97Å; T496-Q570 PolarHBondContact OG1-N 3.47Å; T496-Q570 PolarHBondContact OG1-O 2.98Å; T496-L572 HydrophobicContact CG2-CD1 3.75Å; T496-L572 HydrophobicContact CG2-CG 4Å
497	S	97	Very high	97.3	Very high	57 Å²	57	51.7 Å²	51.7	40%	0.399	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-70.9	153.5	171.4	176.8	0	0	0	0	111.3	N499 Q500 P568 G569	S497-N499 PolarHBondContact O-N 2.76Å; S497-N499 PolarHBondContact OG-N 3Å; S497-N499 VanDerWaalsContact OG-N 3.1Å; S497-Q500 WeakPolarHBondContact O-CB 3.29Å; S497-Q500 PolarHBondContact O-N 2.9Å; S497-P568 WeakPolarHBondContact O-CB 2.95Å; S497-G569 PolarHBondContact O-N 2.82Å
498	L	97	Very high	96.8	Very high	139 Å²	139	48 Å²	48	73%	0.728	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.4	166.1	-68.9	175.8	0	0	0	111.7	Q500 P568	L498-Q500 VanDerWaalsContact C-N 3.35Å; L498-P568 VanDerWaalsContact O-CB 3.31Å; L498-P568 WeakPolarHBondContact O-CB 3.27Å
499	N	97.4	Very high	96.3	Very high	114 Å²	114	46.4 Å²	46.4	61%	0.61	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	8.6	177.5	-67.1	-33.8	0	0	0	113.3	S497 A501 A502 L503	S497-N499 PolarHBondContact O-N 2.76Å; S497-N499 PolarHBondContact OG-N 3Å; S497-N499 VanDerWaalsContact OG-N 3.1Å; N499-A501 VanDerWaalsContact C-N 3.35Å; N499-A501 PolarHBondContact O-N 3.36Å; N499-A502 WeakPolarHBondContact O-CB 3.22Å; N499-A502 PolarHBondContact O-N 3Å; N499-A502 VanDerWaalsContact O-N 3.09Å; N499-L503 PolarHBondContact O-N 3.46Å
500	Q	98.4	Very high	95.8	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-42.6	-170.4	-161.9	69.1	47.8	0	0	112.8	L348 G349 S497 L498 L503 Y504 L530 F538	L348-Q500 PolarHBondContact O-NE2 3.49Å; G349-Q500 VanDerWaalsContact C-NE2 3.32Å; G349-Q500 PolarHBondContact O-NE2 3.17Å; S497-Q500 WeakPolarHBondContact O-CB 3.29Å; S497-Q500 PolarHBondContact O-N 2.9Å; L498-Q500 VanDerWaalsContact C-N 3.35Å; Q500-L503 PolarHBondContact O-N 2.93Å; Q500-Y504 WeakPolarHBondContact O-CB 3.25Å; Q500-Y504 PolarHBondContact O-N 3.47Å; Q500-L530 HydrophobicContact CB-CD1 3.86Å; Q500-L530 HydrophobicContact CG-CD1 3.85Å; Q500-L530 HydrophobicContact CG-CD2 4.46Å; Q500-F538 HydrophobicContact CG-CE2 3.95Å; Q500-F538 HydrophobicContact CG-CZ 4.2Å
501	A	97.3	Very high	95.2	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-38.1	176.9	0	0	0	0	0	112	N499 L503 R505 H514 L530 H531 P568	N499-A501 VanDerWaalsContact C-N 3.35Å; N499-A501 PolarHBondContact O-N 3.36Å; A501-L503 VanDerWaalsContact C-N 3.31Å; A501-L503 PolarHBondContact O-N 2.87Å; A501-R505 WeakPolarHBondContact O-CB 3.48Å; A501-R505 VanDerWaalsContact O-CG 3.31Å; A501-R505 WeakPolarHBondContact O-CG 3.46Å; A501-R505 PolarHBondContact O-N 2.85Å; A501-R505 VanDerWaalsContact O-N 3.13Å; A501-H514 HydrophobicContact CB-CB 4.44Å; A501-H514 WeakPolarHBondContact CB-O 3.18Å; A501-L530 HydrophobicContact CB-CD1 3.87Å; A501-H531 PolarHBondContact O-CE1 2.83Å; A501-P568 HydrophobicContact CB-CG 3.86Å
502	A	97.4	Very high	94.7	Very high	37 Å²	37	49.2 Å²	49.2	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-31.3	177.1	0	0	0	0	0	112.9	N499 R505 I515	N499-A502 WeakPolarHBondContact O-CB 3.22Å; N499-A502 PolarHBondContact O-N 3Å; N499-A502 VanDerWaalsContact O-N 3.09Å; A502-R505 WeakPolarHBondContact O-CG 3.37Å; A502-I515 HydrophobicContact CB-CD1 4.08Å
503	L	97.9	Very high	94.3	Very high	60 Å²	60	47.9 Å²	47.9	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-78.2	-50.1	173.5	-179.8	60	0	0	0	111.7	L348 N499 Q500 A501 R505 L506	L348-L503 HydrophobicContact CB-CD2 4.09Å; N499-L503 PolarHBondContact O-N 3.46Å; Q500-L503 PolarHBondContact O-N 2.93Å; A501-L503 VanDerWaalsContact C-N 3.31Å; A501-L503 PolarHBondContact O-N 2.87Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.2Å; L503-L506 HydrophobicContact CD1-CD1 4.33Å; L503-L506 WeakPolarHBondContact O-CB 3.38Å; L503-L506 WeakPolarHBondContact O-CG 3.43Å; L503-L506 PolarHBondContact O-N 3.14Å; L503-L506 VanDerWaalsContact O-N 3.16Å
504	Y	98.3	Very high	94.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-41.1	-175.5	-178.6	-90.9	0	0	0	112.6	Y346 V350 I379 Q500 L506 S507 H531 L533 C534	Y346-Y504 HydrophobicContact CD2-CE2 4.12Å; Y346-Y504 AromaticContact CE2-CE2 3.71Å; Y346-Y504 HydrophobicContact CE2-CE2 3.71Å; V350-Y504 HydrophobicContact CG1-CD2 3.83Å; V350-Y504 HydrophobicContact CG1-CE2 3.61Å; I379-Y504 WeakPolarHBondContact CD1-OH 3.44Å; Q500-Y504 WeakPolarHBondContact O-CB 3.25Å; Q500-Y504 PolarHBondContact O-N 3.47Å; Y504-L506 PolarHBondContact O-N 3.3Å; Y504-L506 VanDerWaalsContact O-N 3.1Å; Y504-S507 WeakPolarHBondContact O-CB 3.41Å; Y504-S507 PolarHBondContact O-N 3.08Å; Y504-S507 PolarHBondContact O-OG 3.38Å; Y504-H531 HydrophobicContact CD1-CB 3.77Å; Y504-H531 AromaticContact CD1-CD2 3.9Å; Y504-H531 AromaticContact CD1-CE1 3.85Å; Y504-H531 AromaticContact CD1-CG 3.44Å; Y504-H531 VanDerWaalsContact CD1-CG 3.44Å; Y504-H531 AromaticContact CD1-ND1 3.4Å; Y504-H531 WeakPolarHBondContact CD1-ND1 3.49Å; Y504-H531 HydrophobicContact CE1-CB 3.73Å; Y504-H531 AromaticContact CE1-CG 3.77Å; Y504-L533 HydrophobicContact CE1-CB 4.48Å; Y504-L533 WeakPolarHBondContact OH-CB 3.42Å; Y504-C534 HydrophobicContact CD1-CB 4Å; Y504-C534 HydrophobicContact CD2-CB 3.54Å; Y504-C534 HydrophobicContact CE1-CB 4.23Å; Y504-C534 HydrophobicContact CE2-CB 3.8Å; Y504-C534 HydrophobicContact CG-CB 3.64Å
505	R	95.5	Very high	94.1	Very high	39 Å²	39	48.4 Å²	48.4	15%	0.147	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.6	-27.1	179.7	63.6	-172.4	-55.1	-82.2	1.8	114.2	A501 A502 L503 S507 G508 D509 W510	A501-R505 WeakPolarHBondContact O-CB 3.48Å; A501-R505 VanDerWaalsContact O-CG 3.31Å; A501-R505 WeakPolarHBondContact O-CG 3.46Å; A501-R505 PolarHBondContact O-N 2.85Å; A501-R505 VanDerWaalsContact O-N 3.13Å; A502-R505 WeakPolarHBondContact O-CG 3.37Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.2Å; R505-S507 PolarHBondContact O-N 3.39Å; R505-S507 VanDerWaalsContact O-N 3.14Å; R505-G508 PolarHBondContact O-N 2.98Å; R505-D509 WeakPolarHBondContact CA-O 3.48Å; R505-D509 WeakPolarHBondContact CB-O 3.34Å; R505-D509 PolarHBondContact O-N 2.8Å; R505-W510 VanDerWaalsContact CZ-CE3 3.42Å; R505-W510 VanDerWaalsContact NH2-CE3 3.31Å; R505-W510 PolarHBondContact NH2-O 3.18Å
506	L	95.6	Very high	93.9	Very high	75 Å²	75	46.5 Å²	46.5	39%	0.393	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-62.7	-20.2	176.8	-56.6	179.9	0	0	0	112.3	M345 L503 Y504 G508 W510	M345-L506 HydrophobicContact CG-CB 4.19Å; M345-L506 HydrophobicContact SD-CB 3.39Å; M345-L506 WeakPolarHBondContact SD-CB 3.4Å; M345-L506 HydrophobicContact SD-CD1 4.45Å; L503-L506 HydrophobicContact CD1-CD1 4.33Å; L503-L506 WeakPolarHBondContact O-CB 3.38Å; L503-L506 WeakPolarHBondContact O-CG 3.43Å; L503-L506 PolarHBondContact O-N 3.14Å; L503-L506 VanDerWaalsContact O-N 3.16Å; Y504-L506 PolarHBondContact O-N 3.3Å; Y504-L506 VanDerWaalsContact O-N 3.1Å; L506-G508 PolarHBondContact O-N 3.29Å; L506-W510 HydrophobicContact CD2-CH2 3.64Å; L506-W510 HydrophobicContact CD2-CZ3 4.01Å
507	S	94.3	Very high	93.7	Very high	7 Å²	7	50 Å²	50	5%	0.049	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.7	-17.6	173.4	-47.8	0	0	0	0	112.7	I379 Y504 R505	I379-S507 WeakPolarHBondContact CG2-O 3.31Å; Y504-S507 WeakPolarHBondContact O-CB 3.41Å; Y504-S507 PolarHBondContact O-N 3.08Å; Y504-S507 PolarHBondContact O-OG 3.38Å; R505-S507 PolarHBondContact O-N 3.39Å; R505-S507 VanDerWaalsContact O-N 3.14Å
508	G	86.2	Confident	93.3	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	140.1	-3	172	0	0	0	0	0	116.7	R505 L506	R505-G508 PolarHBondContact O-N 2.98Å; L506-G508 PolarHBondContact O-N 3.29Å
509	D	88.4	Confident	92.7	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.07	27%	0.266	C	S	.	.			trans	-96	95.3	175.7	-168.9	-20.5	0	0	0	111	Q382 M386 R505 N511 H531	Q382-D509 PolarHBondContact NE2-OD2 3.01Å; M386-D509 HydrophobicContact SD-CB 4.16Å; R505-D509 WeakPolarHBondContact CA-O 3.48Å; R505-D509 WeakPolarHBondContact CB-O 3.34Å; R505-D509 PolarHBondContact O-N 2.8Å; D509-N511 VanDerWaalsContact C-N 3.31Å; D509-N511 PolarHBondContact O-N 3.37Å; D509-N511 VanDerWaalsContact OD1-CB 3.3Å; D509-N511 WeakPolarHBondContact OD1-CB 3.48Å; D509-N511 PolarHBondContact OD1-N 2.94Å; D509-H531 IonicContact OD2-CD2 2.63Å; D509-H531 PolarHBondContact OD2-CD2 3.46Å
510	W	87.2	Confident	92.3	Very high	135 Å²	135	44 Å²	44	51%	0.511	24%	0.237	S	C	.	.			trans	-89.2	9.7	-173.4	-60.2	94.6	0	0	0	114	R505 L506 P512	R505-W510 VanDerWaalsContact CZ-CE3 3.42Å; R505-W510 VanDerWaalsContact NH2-CE3 3.31Å; R505-W510 PolarHBondContact NH2-O 3.18Å; L506-W510 HydrophobicContact CD2-CH2 3.64Å; L506-W510 HydrophobicContact CD2-CZ3 4.01Å; W510-P512 WeakPolarHBondContact O-CD 3.44Å
511	N	85.6	Confident	91.7	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	26%	0.26	C	S	.	.			trans	-56.6	121.6	-174.8	-170.7	-25	0	0	0	111.4	M386 D509 L513 H514	M386-N511 HydrophobicContact CE-CB 4.1Å; D509-N511 VanDerWaalsContact C-N 3.31Å; D509-N511 PolarHBondContact O-N 3.37Å; D509-N511 VanDerWaalsContact OD1-CB 3.3Å; D509-N511 WeakPolarHBondContact OD1-CB 3.48Å; D509-N511 PolarHBondContact OD1-N 2.94Å; N511-L513 VanDerWaalsContact ND2-CD2 3.26Å; N511-L513 WeakPolarHBondContact ND2-CD2 3.07Å; N511-L513 PolarHBondContact O-N 3.44Å; N511-L513 VanDerWaalsContact O-N 3.08Å; N511-L513 PolarHBondContact OD1-N 3.34Å; N511-L513 VanDerWaalsContact OD1-N 3.16Å; N511-H514 PolarHBondContact O-N 2.95Å
512	P	88.3	Confident	90.9	Very high	51 Å²	51	53.8 Å²	53.8	33%	0.331	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22	-175.9	-24.3	33.7	0	0	0	114.2	W510 H514 I515 D516 F519	W510-P512 WeakPolarHBondContact O-CD 3.44Å; P512-H514 PolarHBondContact O-N 3.48Å; P512-I515 PolarHBondContact O-N 2.7Å; P512-D516 HydrophobicContact CB-CB 4.28Å; P512-D516 PolarHBondContact O-N 2.86Å; P512-F519 HydrophobicContact CB-CB 3.89Å; P512-F519 HydrophobicContact CB-CD1 3.92Å; P512-F519 HydrophobicContact CB-CD2 3.97Å; P512-F519 HydrophobicContact CB-CE1 4.43Å; P512-F519 HydrophobicContact CB-CE2 4.48Å; P512-F519 HydrophobicContact CB-CG 3.66Å; P512-F519 HydrophobicContact CG-CD2 4.33Å; P512-F519 HydrophobicContact CG-CE2 4.42Å; P512-F519 HydrophobicContact CG-CG 4.43Å
513	L	89.2	Confident	90	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-56.4	-23.3	179.6	88.4	86.3	0	0	0	113.3	N511 F519 P528 I529	N511-L513 VanDerWaalsContact ND2-CD2 3.26Å; N511-L513 WeakPolarHBondContact ND2-CD2 3.07Å; N511-L513 PolarHBondContact O-N 3.44Å; N511-L513 VanDerWaalsContact O-N 3.08Å; N511-L513 PolarHBondContact OD1-N 3.34Å; N511-L513 VanDerWaalsContact OD1-N 3.16Å; L513-F519 HydrophobicContact CB-CD1 3.87Å; L513-F519 HydrophobicContact CB-CE1 4.19Å; L513-P528 WeakPolarHBondContact O-CA 3.1Å; L513-I529 HydrophobicContact CD1-CD1 3.73Å; L513-I529 HydrophobicContact CD1-CG1 3.34Å
514	H	94	Very high	89.4	Confident	18 Å²	18	53.4 Å²	53.4	8%	0.083	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-91.6	-1.2	-177.9	-61.9	-62.4	0	0	0	114.3	A501 N511 P512 I529 H531	A501-H514 HydrophobicContact CB-CB 4.44Å; A501-H514 WeakPolarHBondContact CB-O 3.18Å; N511-H514 PolarHBondContact O-N 2.95Å; P512-H514 PolarHBondContact O-N 3.48Å; H514-I529 PolarHBondContact ND1-O 2.74Å; H514-H531 WeakPolarHBondContact CB-CE1 3.07Å; H514-H531 AromaticContact CD2-CD2 3.04Å; H514-H531 PolarHBondContact CD2-CD2 3.24Å; H514-H531 AromaticContact CD2-CE1 3.74Å; H514-H531 AromaticContact CD2-CG 3.77Å; H514-H531 AromaticContact CD2-NE2 3.05Å; H514-H531 PolarHBondContact CD2-NE2 2.91Å; H514-H531 AromaticContact CE1-CD2 3.77Å; H514-H531 AromaticContact CE1-CG 3.84Å; H514-H531 AromaticContact CG-CD2 3.48Å; H514-H531 VanDerWaalsContact CG-CD2 3.48Å; H514-H531 AromaticContact CG-CE1 3.47Å; H514-H531 VanDerWaalsContact CG-CE1 3.47Å; H514-H531 AromaticContact CG-CG 3.8Å; H514-H531 AromaticContact CG-ND1 3.8Å; H514-H531 AromaticContact CG-NE2 3.28Å; H514-H531 VanDerWaalsContact CG-NE2 3.28Å; H514-H531 AromaticContact ND1-CD2 3.89Å; H514-H531 AromaticContact ND1-CG 3.84Å; H514-H531 AromaticContact ND1-ND1 4Å; H514-H531 AromaticContact NE2-CD2 3.27Å; H514-H531 PolarHBondContact NE2-CD2 2.87Å; H514-H531 VanDerWaalsContact NE2-CD2 3.27Å; H514-H531 AromaticContact NE2-CG 3.81Å; H514-H531 AromaticContact NE2-NE2 3.83Å
515	I	95.8	Very high	88.9	Confident	75 Å²	75	55.1 Å²	55.1	39%	0.385	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	-32.2	-177.9	-166.2	161.7	0	0	0	114.7	A502 P512 P517	A502-I515 HydrophobicContact CB-CD1 4.08Å; P512-I515 PolarHBondContact O-N 2.7Å; I515-P517 WeakPolarHBondContact O-CD 3.05Å
516	D	93.4	Very high	88.6	Confident	62 Å²	62	60.7 Å²	60.7	33%	0.332	35%	0.347	S	S	.	.			trans	-94.9	115.2	-178.2	-178.2	-7.4	0	0	0	110.6	P512 N518 F519 A520	P512-D516 HydrophobicContact CB-CB 4.28Å; P512-D516 PolarHBondContact O-N 2.86Å; D516-N518 VanDerWaalsContact C-N 3.29Å; D516-N518 PolarHBondContact O-N 3.13Å; D516-N518 WeakPolarHBondContact OD1-CB 3.48Å; D516-N518 PolarHBondContact OD1-N 3.34Å; D516-F519 HydrophobicContact CB-CB 4Å; D516-F519 PolarHBondContact O-N 3.06Å; D516-A520 WeakPolarHBondContact O-CB 3.39Å; D516-A520 PolarHBondContact O-N 3.34Å
517	P	92.9	Very high	88.5	Confident	78 Å²	78	62.3 Å²	62.3	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-36.2	177.9	-24.5	35	0	0	0	114.1	I515 A520 S521 P528	I515-P517 WeakPolarHBondContact O-CD 3.05Å; P517-A520 PolarHBondContact O-N 3Å; P517-S521 WeakPolarHBondContact O-CB 3.44Å; P517-S521 PolarHBondContact O-N 3.37Å; P517-P528 HydrophobicContact CG-CG 4.25Å
518	N	89.4	Confident	88.6	Confident	125 Å²	125	63.3 Å²	63.3	67%	0.668	36%	0.356	S	S	*	.	H	α-helix	trans	-67.3	-43	-179.3	-67.3	-37.6	0	0	0	110.4	D516 S521 L522	D516-N518 VanDerWaalsContact C-N 3.29Å; D516-N518 PolarHBondContact O-N 3.13Å; D516-N518 WeakPolarHBondContact OD1-CB 3.48Å; D516-N518 PolarHBondContact OD1-N 3.34Å; N518-S521 PolarHBondContact O-N 2.67Å; N518-L522 WeakPolarHBondContact O-CG 3.11Å; N518-L522 PolarHBondContact O-N 2.69Å; N518-L522 VanDerWaalsContact O-N 3.09Å
519	F	84.8	Confident	89	Confident	57 Å²	57	62.8 Å²	62.8	25%	0.25	35%	0.347	C	S	.	.	H	α-helix	trans	-69.7	-39	178.2	-160.5	-84	0	0	0	112.1	P512 L513 D516 S521 L522 A523	P512-F519 HydrophobicContact CB-CB 3.89Å; P512-F519 HydrophobicContact CB-CD1 3.92Å; P512-F519 HydrophobicContact CB-CD2 3.97Å; P512-F519 HydrophobicContact CB-CE1 4.43Å; P512-F519 HydrophobicContact CB-CE2 4.48Å; P512-F519 HydrophobicContact CB-CG 3.66Å; P512-F519 HydrophobicContact CG-CD2 4.33Å; P512-F519 HydrophobicContact CG-CE2 4.42Å; P512-F519 HydrophobicContact CG-CG 4.43Å; L513-F519 HydrophobicContact CB-CD1 3.87Å; L513-F519 HydrophobicContact CB-CE1 4.19Å; D516-F519 HydrophobicContact CB-CB 4Å; D516-F519 PolarHBondContact O-N 3.06Å; F519-S521 VanDerWaalsContact C-N 3.31Å; F519-S521 PolarHBondContact O-N 2.89Å; F519-L522 PolarHBondContact O-N 2.8Å; F519-A523 PolarHBondContact O-N 3.43Å
520	A	87.8	Confident	89.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-43.3	174.1	0	0	0	0	0	111.7	D516 P517 A523 G524 F525 P528	D516-A520 WeakPolarHBondContact O-CB 3.39Å; D516-A520 PolarHBondContact O-N 3.34Å; P517-A520 PolarHBondContact O-N 3Å; A520-A523 CarbonylContact O-C 3.23Å; A520-A523 PolarHBondContact O-N 3.1Å; A520-A523 VanDerWaalsContact O-N 3.14Å; A520-G524 PolarHBondContact O-N 2.98Å; A520-F525 CarbonylContact C-O 3.55Å; A520-F525 VanDerWaalsContact C-O 3.23Å; A520-F525 HydrophobicContact CB-CB 4.44Å; A520-F525 PolarHBondContact O-N 3.4Å; A520-P528 HydrophobicContact CB-CG 4.23Å
521	S	87.6	Confident	89.8	Confident	80 Å²	80	56 Å²	56	56%	0.559	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-43.2	176.3	-174	0	0	0	0	112.5	P517 N518 F519 A523 G524 F525	P517-S521 WeakPolarHBondContact O-CB 3.44Å; P517-S521 PolarHBondContact O-N 3.37Å; N518-S521 PolarHBondContact O-N 2.67Å; F519-S521 VanDerWaalsContact C-N 3.31Å; F519-S521 PolarHBondContact O-N 2.89Å; S521-A523 PolarHBondContact O-N 3.13Å; S521-G524 PolarHBondContact O-N 2.87Å; S521-F525 VanDerWaalsContact CA-O 3.24Å; S521-F525 WeakPolarHBondContact CA-O 3.41Å; S521-F525 PolarHBondContact N-O 2.93Å
522	L	79.7	Confident	90.3	Very high	143 Å²	143	56 Å²	56	75%	0.749	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-31	173.4	-72.2	172.6	0	0	0	113	N518 F519 G524	N518-L522 WeakPolarHBondContact O-CG 3.11Å; N518-L522 PolarHBondContact O-N 2.69Å; N518-L522 VanDerWaalsContact O-N 3.09Å; F519-L522 PolarHBondContact O-N 2.8Å; L522-G524 VanDerWaalsContact C-N 3.28Å
523	A	77.6	Confident	90.8	Very high	25 Å²	25	53.7 Å²	53.7	21%	0.207	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.6	175.6	0	0	0	0	0	113.6	F519 A520 S521 F525	F519-A523 PolarHBondContact O-N 3.43Å; A520-A523 CarbonylContact O-C 3.23Å; A520-A523 PolarHBondContact O-N 3.1Å; A520-A523 VanDerWaalsContact O-N 3.14Å; S521-A523 PolarHBondContact O-N 3.13Å; A523-F525 HydrophobicContact CB-CD2 4Å; A523-F525 HydrophobicContact CB-CE2 4.22Å
524	G	85.8	Confident	91.2	Very high	64 Å²	64	52.9 Å²	52.9	66%	0.66	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	22	176.8	0	0	0	0	0	115	A520 S521 L522	A520-G524 PolarHBondContact O-N 2.98Å; S521-G524 PolarHBondContact O-N 2.87Å; L522-G524 VanDerWaalsContact C-N 3.28Å
525	F	88.3	Confident	91.4	Very high	37 Å²	37	52.2 Å²	52.2	16%	0.162	31%	0.305	C	S	.	.			trans	-116.4	135.6	176	-57.6	-77.7	0	0	0	111.4	L404 A520 S521 A523 K527 I529 P565	L404-F525 HydrophobicContact CD2-CZ 4.46Å; A520-F525 CarbonylContact C-O 3.55Å; A520-F525 VanDerWaalsContact C-O 3.23Å; A520-F525 HydrophobicContact CB-CB 4.44Å; A520-F525 PolarHBondContact O-N 3.4Å; S521-F525 VanDerWaalsContact CA-O 3.24Å; S521-F525 WeakPolarHBondContact CA-O 3.41Å; S521-F525 PolarHBondContact N-O 2.93Å; A523-F525 HydrophobicContact CB-CD2 4Å; A523-F525 HydrophobicContact CB-CE2 4.22Å; F525-K527 PolarHBondContact O-N 3.37Å; F525-K527 VanDerWaalsContact O-N 3.16Å; F525-I529 HydrophobicContact CB-CG2 4.26Å; F525-I529 HydrophobicContact CD1-CD1 4.35Å; F525-I529 HydrophobicContact CD1-CG2 3.82Å; F525-I529 HydrophobicContact CD2-CD1 4.42Å; F525-I529 HydrophobicContact CE1-CD1 3.96Å; F525-I529 HydrophobicContact CE1-CG2 4.37Å; F525-I529 HydrophobicContact CE2-CD1 4.04Å; F525-I529 HydrophobicContact CG-CG2 4.04Å; F525-I529 HydrophobicContact CZ-CD1 3.79Å; F525-P565 HydrophobicContact CD1-CB 4.48Å; F525-P565 HydrophobicContact CE1-CB 4.19Å; F525-P565 HydrophobicContact CE1-CG 4.27Å
526	D	88.2	Confident	91.5	Very high	156 Å²	156	48.6 Å²	48.6	83%	0.834	29%	0.287	S	S	*	.	S	Bend	trans	-64.3	-22.4	-178.4	-60.5	-31.2	0	0	0	114
527	K	93.6	Very high	91.8	Very high	109 Å²	109	45.7 Å²	45.7	47%	0.474	27%	0.271	S	S	.	.	S	Bend	trans	-158.1	164.5	177.5	64.2	-173.4	178.4	-177.9	0	110.1	F525 I529 Y567	F525-K527 PolarHBondContact O-N 3.37Å; F525-K527 VanDerWaalsContact O-N 3.16Å; K527-I529 PolarHBondContact O-N 2.91Å; K527-Y567 HydrophobicContact CD-CD1 3.85Å; K527-Y567 HydrophobicContact CD-CE1 4.13Å; K527-Y567 HydrophobicContact CD-CG 4.46Å; K527-Y567 HydrophobicContact CG-CD1 3.39Å; K527-Y567 HydrophobicContact CG-CE1 3.33Å; K527-Y567 HydrophobicContact CG-CG 4.42Å
528	P	95.9	Very high	92	Very high	27 Å²	27	42.1 Å²	42.1	18%	0.175	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-56	132.5	178.6	-26.5	36.1	0	0	0	112.7	L513 P517 A520	L513-P528 WeakPolarHBondContact O-CA 3.1Å; P517-P528 HydrophobicContact CG-CG 4.25Å; A520-P528 HydrophobicContact CB-CG 4.23Å
529	I	95.9	Very high	92.5	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.087	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-97.9	155.8	179.5	61.4	167.8	0	0	0	110.7	L513 H514 F525 K527 P565 V566 Y567	L513-I529 HydrophobicContact CD1-CD1 3.73Å; L513-I529 HydrophobicContact CD1-CG1 3.34Å; H514-I529 PolarHBondContact ND1-O 2.74Å; F525-I529 HydrophobicContact CB-CG2 4.26Å; F525-I529 HydrophobicContact CD1-CD1 4.35Å; F525-I529 HydrophobicContact CD1-CG2 3.82Å; F525-I529 HydrophobicContact CD2-CD1 4.42Å; F525-I529 HydrophobicContact CE1-CD1 3.96Å; F525-I529 HydrophobicContact CE1-CG2 4.37Å; F525-I529 HydrophobicContact CE2-CD1 4.04Å; F525-I529 HydrophobicContact CG-CG2 4.04Å; F525-I529 HydrophobicContact CZ-CD1 3.79Å; K527-I529 PolarHBondContact O-N 2.91Å; I529-P565 HydrophobicContact CB-CB 4.17Å; I529-P565 HydrophobicContact CD1-CB 4.15Å; I529-P565 HydrophobicContact CG2-CB 3.65Å; I529-V566 CarbonylContact C-O 3.58Å; I529-V566 WeakPolarHBondContact CA-O 3.39Å; I529-Y567 HydrophobicContact CG2-CD1 3.93Å; I529-Y567 HydrophobicContact CG2-CE1 3.51Å
530	L	97.4	Very high	93.1	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-70.7	145.5	170	-168.9	62.8	0	0	0	110.2	T496 Q500 A501 G532 C534 V566 P568	T496-L530 HydrophobicContact CG2-CD2 3.96Å; Q500-L530 HydrophobicContact CB-CD1 3.86Å; Q500-L530 HydrophobicContact CG-CD1 3.85Å; Q500-L530 HydrophobicContact CG-CD2 4.46Å; A501-L530 HydrophobicContact CB-CD1 3.87Å; L530-G532 PolarHBondContact O-N 3.32Å; L530-C534 HydrophobicContact CD1-CB 4.08Å; L530-C534 HydrophobicContact CD2-CB 4.37Å; L530-C534 HydrophobicContact CG-CB 3.98Å; L530-V566 HydrophobicContact CB-CB 4.1Å; L530-V566 HydrophobicContact CB-CG1 4.13Å; L530-V566 WeakPolarHBondContact CB-O 3.31Å; L530-V566 HydrophobicContact CD2-CB 4.48Å; L530-V566 HydrophobicContact CD2-CG1 3.93Å; L530-V566 PolarHBondContact N-O 3.49Å; L530-P568 HydrophobicContact CB-CG 4.43Å
531	H	95.8	Very high	93.6	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-60.5	132.7	174.8	-52.2	76.9	0	0	0	110.2	A501 Y504 D509 H514 L533 C534 T535	A501-H531 PolarHBondContact O-CE1 2.83Å; Y504-H531 HydrophobicContact CD1-CB 3.77Å; Y504-H531 AromaticContact CD1-CD2 3.9Å; Y504-H531 AromaticContact CD1-CE1 3.85Å; Y504-H531 AromaticContact CD1-CG 3.44Å; Y504-H531 VanDerWaalsContact CD1-CG 3.44Å; Y504-H531 AromaticContact CD1-ND1 3.4Å; Y504-H531 WeakPolarHBondContact CD1-ND1 3.49Å; Y504-H531 HydrophobicContact CE1-CB 3.73Å; Y504-H531 AromaticContact CE1-CG 3.77Å; D509-H531 IonicContact OD2-CD2 2.63Å; D509-H531 PolarHBondContact OD2-CD2 3.46Å; H514-H531 WeakPolarHBondContact CB-CE1 3.07Å; H514-H531 AromaticContact CD2-CD2 3.04Å; H514-H531 PolarHBondContact CD2-CD2 3.24Å; H514-H531 AromaticContact CD2-CE1 3.74Å; H514-H531 AromaticContact CD2-CG 3.77Å; H514-H531 AromaticContact CD2-NE2 3.05Å; H514-H531 PolarHBondContact CD2-NE2 2.91Å; H514-H531 AromaticContact CE1-CD2 3.77Å; H514-H531 AromaticContact CE1-CG 3.84Å; H514-H531 AromaticContact CG-CD2 3.48Å; H514-H531 VanDerWaalsContact CG-CD2 3.48Å; H514-H531 AromaticContact CG-CE1 3.47Å; H514-H531 VanDerWaalsContact CG-CE1 3.47Å; H514-H531 AromaticContact CG-CG 3.8Å; H514-H531 AromaticContact CG-ND1 3.8Å; H514-H531 AromaticContact CG-NE2 3.28Å; H514-H531 VanDerWaalsContact CG-NE2 3.28Å; H514-H531 AromaticContact ND1-CD2 3.89Å; H514-H531 AromaticContact ND1-CG 3.84Å; H514-H531 AromaticContact ND1-ND1 4Å; H514-H531 AromaticContact NE2-CD2 3.27Å; H514-H531 PolarHBondContact NE2-CD2 2.87Å; H514-H531 VanDerWaalsContact NE2-CD2 3.27Å; H514-H531 AromaticContact NE2-CG 3.81Å; H514-H531 AromaticContact NE2-NE2 3.83Å; H531-L533 PolarHBondContact O-N 3.4Å; H531-C534 HydrophobicContact CB-CB 3.96Å; H531-C534 WeakPolarHBondContact O-CA 3.43Å; H531-C534 WeakPolarHBondContact O-CB 3.35Å; H531-C534 PolarHBondContact O-N 3.02Å; H531-T535 PolarHBondContact O-N 2.57Å
532	G	96	Very high	94	Very high	29 Å²	29	31.6 Å²	31.6	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-56.8	-37.9	174.2	0	0	0	0	0	112.2	L530 C534 T535 F536 F562	L530-G532 PolarHBondContact O-N 3.32Å; G532-C534 VanDerWaalsContact C-N 3.25Å; G532-C534 PolarHBondContact O-N 2.95Å; G532-T535 PolarHBondContact O-N 2.78Å; G532-F536 WeakPolarHBondContact O-CB 3.31Å; G532-F536 PolarHBondContact O-N 3.28Å; G532-F562 WeakPolarHBondContact O-CE1 3.49Å
533	L	97.1	Very high	94.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-22.2	175	-68.8	173.9	0	0	0	113.8	V378 Q408 Y504 H531 F536 G537 F562	V378-L533 HydrophobicContact CB-CD2 4.3Å; V378-L533 HydrophobicContact CG1-CD2 4.37Å; V378-L533 HydrophobicContact CG2-CD1 4.19Å; V378-L533 HydrophobicContact CG2-CD2 4.15Å; Q408-L533 HydrophobicContact CB-CD2 4.05Å; Q408-L533 HydrophobicContact CG-CD2 3.72Å; Y504-L533 HydrophobicContact CE1-CB 4.48Å; Y504-L533 WeakPolarHBondContact OH-CB 3.42Å; H531-L533 PolarHBondContact O-N 3.4Å; L533-F536 WeakPolarHBondContact O-CB 3.47Å; L533-G537 PolarHBondContact O-N 3.19Å; L533-G537 VanDerWaalsContact O-N 3.09Å; L533-F562 HydrophobicContact CD2-CZ 3.99Å; L533-F562 HydrophobicContact CG-CZ 4.47Å
534	C	98.3	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.8	-52.6	170.4	-179.9	0	0	0	0	109.9	G349 Y504 L530 H531 G532 F536 G537 F538	G349-C534 PolarHBondContact O-SG 2.63Å; Y504-C534 HydrophobicContact CD1-CB 4Å; Y504-C534 HydrophobicContact CD2-CB 3.54Å; Y504-C534 HydrophobicContact CE1-CB 4.23Å; Y504-C534 HydrophobicContact CE2-CB 3.8Å; Y504-C534 HydrophobicContact CG-CB 3.64Å; L530-C534 HydrophobicContact CD1-CB 4.08Å; L530-C534 HydrophobicContact CD2-CB 4.37Å; L530-C534 HydrophobicContact CG-CB 3.98Å; H531-C534 HydrophobicContact CB-CB 3.96Å; H531-C534 WeakPolarHBondContact O-CA 3.43Å; H531-C534 WeakPolarHBondContact O-CB 3.35Å; H531-C534 PolarHBondContact O-N 3.02Å; G532-C534 VanDerWaalsContact C-N 3.25Å; G532-C534 PolarHBondContact O-N 2.95Å; C534-F536 PolarHBondContact O-N 3.11Å; C534-G537 WeakPolarHBondContact O-CA 3.06Å; C534-G537 PolarHBondContact O-N 3Å; C534-F538 WeakPolarHBondContact O-CD2 3.31Å; C534-F538 PolarHBondContact O-N 3.22Å
535	T	98.6	Very high	96.3	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-56.6	-36.9	175	-52.2	0	0	0	0	112.2	H531 G532 F538 S539 V566 L572 T587 V596 I597	H531-T535 PolarHBondContact O-N 2.57Å; G532-T535 PolarHBondContact O-N 2.78Å; T535-F538 PolarHBondContact O-N 3.4Å; T535-S539 PolarHBondContact O-N 2.81Å; T535-S539 PolarHBondContact O-OG 3.21Å; T535-V566 HydrophobicContact CG2-CG2 4.25Å; T535-L572 HydrophobicContact CG2-CD1 3.98Å; T535-L572 HydrophobicContact CG2-CD2 3.86Å; T535-T587 HydrophobicContact CG2-CG2 4.04Å; T535-V596 HydrophobicContact CG2-CG2 4.06Å; T535-I597 HydrophobicContact CG2-CD1 3.77Å; T535-I597 HydrophobicContact CG2-CG1 4.15Å
536	F	98.4	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-46.7	172.3	176.3	-92.7	0	0	0	112.5	T375 V378 Q408 G532 L533 C534 S539 A540 I558 A560 F562 I597	T375-F536 HydrophobicContact CG2-CD1 3.95Å; T375-F536 HydrophobicContact CG2-CE1 3.56Å; V378-F536 HydrophobicContact CG1-CE1 3.86Å; V378-F536 HydrophobicContact CG1-CZ 4.4Å; Q408-F536 HydrophobicContact CB-CE2 4.18Å; Q408-F536 HydrophobicContact CB-CZ 4.47Å; Q408-F536 HydrophobicContact CG-CE1 4.46Å; Q408-F536 HydrophobicContact CG-CE2 4.03Å; Q408-F536 HydrophobicContact CG-CZ 3.81Å; G532-F536 WeakPolarHBondContact O-CB 3.31Å; G532-F536 PolarHBondContact O-N 3.28Å; L533-F536 WeakPolarHBondContact O-CB 3.47Å; C534-F536 PolarHBondContact O-N 3.11Å; F536-S539 PolarHBondContact O-N 3.38Å; F536-A540 WeakPolarHBondContact O-CB 3.4Å; F536-A540 PolarHBondContact O-N 3.44Å; F536-I558 HydrophobicContact CD1-CD1 4.42Å; F536-I558 HydrophobicContact CD2-CD1 3.95Å; F536-I558 HydrophobicContact CD2-CG1 4.41Å; F536-I558 HydrophobicContact CE1-CD1 4.04Å; F536-I558 HydrophobicContact CE1-CG2 3.91Å; F536-I558 HydrophobicContact CE2-CB 4.38Å; F536-I558 HydrophobicContact CE2-CD1 3.53Å; F536-I558 HydrophobicContact CE2-CG1 3.6Å; F536-I558 HydrophobicContact CE2-CG2 3.92Å; F536-I558 HydrophobicContact CG-CD1 4.41Å; F536-I558 HydrophobicContact CZ-CB 4.11Å; F536-I558 HydrophobicContact CZ-CD1 3.64Å; F536-I558 HydrophobicContact CZ-CG1 3.78Å; F536-I558 HydrophobicContact CZ-CG2 3.21Å; F536-A560 HydrophobicContact CD2-CB 3.69Å; F536-A560 HydrophobicContact CE2-CB 3.86Å; F536-F562 HydrophobicContact CB-CE1 4.08Å; F536-F562 HydrophobicContact CB-CZ 4.34Å; F536-F562 HydrophobicContact CD2-CZ 4.43Å; F536-I597 HydrophobicContact CB-CD1 4.29Å
537	G	98.3	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.6	-41	176.2	0	0	0	0	0	113.1	L533 C534 S539 A540 R541	L533-G537 PolarHBondContact O-N 3.19Å; L533-G537 VanDerWaalsContact O-N 3.09Å; C534-G537 WeakPolarHBondContact O-CA 3.06Å; C534-G537 PolarHBondContact O-N 3Å; G537-S539 VanDerWaalsContact C-N 3.35Å; G537-S539 PolarHBondContact O-N 2.79Å; G537-A540 PolarHBondContact O-N 2.98Å; G537-R541 WeakPolarHBondContact O-CB 3.3Å; G537-R541 PolarHBondContact O-N 3.25Å
538	F	98.6	Very high	97.2	Very high	3 Å²	3	14 Å²	14	1%	0.013	7%	0.074	C	C	.	.	H	α-helix	trans	-56.2	-50.2	172.7	-90.4	-90.2	0	0	0	111.2	V350 G351 D494 T496 Q500 C534 T535 A540 R541 R542 L572	V350-F538 VanDerWaalsContact C-CE2 3.44Å; V350-F538 HydrophobicContact CB-CD2 4.37Å; V350-F538 WeakPolarHBondContact O-CD1 3.37Å; V350-F538 WeakPolarHBondContact O-CG 3.46Å; G351-F538 VanDerWaalsContact CA-CE1 3.49Å; G351-F538 VanDerWaalsContact CA-CZ 3.42Å; D494-F538 HydrophobicContact CB-CD1 3.57Å; D494-F538 HydrophobicContact CB-CE1 3.81Å; T496-F538 HydrophobicContact CG2-CE1 4.5Å; T496-F538 HydrophobicContact CG2-CE2 4.28Å; T496-F538 HydrophobicContact CG2-CZ 4.12Å; Q500-F538 HydrophobicContact CG-CE2 3.95Å; Q500-F538 HydrophobicContact CG-CZ 4.2Å; C534-F538 WeakPolarHBondContact O-CD2 3.31Å; C534-F538 PolarHBondContact O-N 3.22Å; T535-F538 PolarHBondContact O-N 3.4Å; F538-A540 PolarHBondContact O-N 3.49Å; F538-R541 PolarHBondContact O-N 3.13Å; F538-R542 PolarHBondContact O-N 2.8Å; F538-L572 HydrophobicContact CB-CD1 3.89Å; F538-L572 HydrophobicContact CD1-CD1 4.26Å; F538-L572 HydrophobicContact CD2-CD1 4.19Å; F538-L572 HydrophobicContact CG-CD1 3.87Å
539	S	98.6	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-45.5	-178.2	-48.9	0	0	0	0	111.2	T535 F536 G537 R541 R542 I543 F585 T587	T535-S539 PolarHBondContact O-N 2.81Å; T535-S539 PolarHBondContact O-OG 3.21Å; F536-S539 PolarHBondContact O-N 3.38Å; G537-S539 VanDerWaalsContact C-N 3.35Å; G537-S539 PolarHBondContact O-N 2.79Å; S539-R541 PolarHBondContact O-N 3.13Å; S539-R542 PolarHBondContact O-N 3.01Å; S539-I543 WeakPolarHBondContact O-CG1 3.38Å; S539-I543 PolarHBondContact O-N 3.19Å; S539-F585 VanDerWaalsContact CB-CE2 3.48Å; S539-T587 PolarHBondContact OG-OG1 2.67Å
540	A	98.2	Very high	97	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-40.9	178.6	0	0	0	0	0	112.7	T375 F536 G537 F538 R542 I543 L544 I558	T375-A540 HydrophobicContact CG2-CB 3.4Å; T375-A540 VanDerWaalsContact CG2-CB 3.4Å; F536-A540 WeakPolarHBondContact O-CB 3.4Å; F536-A540 PolarHBondContact O-N 3.44Å; G537-A540 PolarHBondContact O-N 2.98Å; F538-A540 PolarHBondContact O-N 3.49Å; A540-R542 VanDerWaalsContact C-N 3.33Å; A540-R542 PolarHBondContact O-N 3.26Å; A540-I543 PolarHBondContact O-N 3Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.36Å; A540-I558 HydrophobicContact CB-CD1 3.74Å
541	R	97.4	Very high	96.9	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.011	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-44.2	176.2	-175.3	177.6	63.3	92.8	8.8	111.1	V350 G351 D359 L373 D494 G537 F538 S539 L544 Q545	V350-R541 PolarHBondContact O-NE 3.14Å; G351-R541 VanDerWaalsContact O-CZ 3.25Å; G351-R541 PolarHBondContact O-NH2 3.47Å; D359-R541 IonicContact OD1-NH1 3.59Å; D359-R541 IonicContact OD2-CZ 3.2Å; D359-R541 IonicContact OD2-NH1 2.6Å; D359-R541 PolarHBondContact OD2-NH1 3.45Å; L373-R541 HydrophobicContact CD2-CG 4.33Å; D494-R541 IonicContact OD1-NH2 3.41Å; D494-R541 PolarHBondContact OD1-NH2 2.93Å; D494-R541 IonicContact OD2-NH2 2.68Å; G537-R541 WeakPolarHBondContact O-CB 3.3Å; G537-R541 PolarHBondContact O-N 3.25Å; F538-R541 PolarHBondContact O-N 3.13Å; S539-R541 PolarHBondContact O-N 3.13Å; R541-L544 PolarHBondContact O-N 2.92Å; R541-Q545 WeakPolarHBondContact O-CB 3.41Å; R541-Q545 PolarHBondContact O-N 2.85Å
542	R	96.9	Very high	96.9	Very high	37 Å²	37	20.5 Å²	20.5	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-36.7	177.3	-68.5	-51.8	-173.7	179.9	1	113.2	D356 L492 D494 F538 S539 A540 Q545 Q546	D356-R542 IonicContact OD2-NH1 3.85Å; L492-R542 HydrophobicContact CB-CB 4.3Å; L492-R542 HydrophobicContact CB-CG 4.21Å; L492-R542 HydrophobicContact CD1-CB 4.02Å; L492-R542 HydrophobicContact CD1-CG 4.41Å; D494-R542 VanDerWaalsContact CG-NE 3.29Å; D494-R542 IonicContact OD1-CZ 2.67Å; D494-R542 VanDerWaalsContact OD1-CZ 3.26Å; D494-R542 IonicContact OD1-NE 3.52Å; D494-R542 PolarHBondContact OD1-NE 2.71Å; D494-R542 VanDerWaalsContact OD1-NE 3.11Å; D494-R542 IonicContact OD1-NH2 3.83Å; D494-R542 PolarHBondContact OD1-NH2 2.87Å; D494-R542 WeakPolarHBondContact OD2-CG 2.82Å; D494-R542 IonicContact OD2-CZ 2.7Å; D494-R542 IonicContact OD2-NE 2.67Å; D494-R542 PolarHBondContact OD2-NE 2.9Å; D494-R542 IonicContact OD2-NH2 3.95Å; F538-R542 PolarHBondContact O-N 2.8Å; S539-R542 PolarHBondContact O-N 3.01Å; A540-R542 VanDerWaalsContact C-N 3.33Å; A540-R542 PolarHBondContact O-N 3.26Å; R542-Q545 PolarHBondContact O-N 2.93Å; R542-Q546 VanDerWaalsContact O-CB 3.24Å; R542-Q546 WeakPolarHBondContact O-CB 3.4Å; R542-Q546 PolarHBondContact O-N 3.45Å
543	I	98.1	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.6	-44	174	-67.8	162	0	0	0	111.1	S539 A540 Q545 Q546 F547 M576 I583 F585 V602	S539-I543 WeakPolarHBondContact O-CG1 3.38Å; S539-I543 PolarHBondContact O-N 3.19Å; A540-I543 PolarHBondContact O-N 3Å; I543-Q545 VanDerWaalsContact C-N 3.34Å; I543-Q545 PolarHBondContact O-N 3.09Å; I543-Q546 PolarHBondContact O-N 3.23Å; I543-F547 HydrophobicContact CG2-CD2 4.3Å; I543-F547 PolarHBondContact O-N 3.15Å; I543-M576 HydrophobicContact CB-SD 4.35Å; I543-M576 HydrophobicContact CG1-CG 3.88Å; I543-M576 HydrophobicContact CG1-SD 3.57Å; I543-M576 VanDerWaalsContact CG1-SD 3.57Å; I543-I583 HydrophobicContact CG1-CG2 4.39Å; I543-I583 HydrophobicContact CG2-CB 3.94Å; I543-I583 HydrophobicContact CG2-CG1 4Å; I543-I583 HydrophobicContact CG2-CG2 3.98Å; I543-F585 HydrophobicContact CD1-CB 3.81Å; I543-F585 HydrophobicContact CD1-CD1 3.41Å; I543-F585 VanDerWaalsContact CD1-CD1 3.41Å; I543-F585 HydrophobicContact CD1-CD2 4.06Å; I543-F585 HydrophobicContact CD1-CE1 3.89Å; I543-F585 HydrophobicContact CD1-CE2 4.48Å; I543-F585 HydrophobicContact CD1-CG 3.5Å; I543-F585 VanDerWaalsContact CD1-CG 3.5Å; I543-F585 HydrophobicContact CD1-CZ 4.4Å; I543-V602 HydrophobicContact CB-CG2 4.39Å; I543-V602 HydrophobicContact CD1-CB 4.4Å; I543-V602 HydrophobicContact CD1-CG2 3.59Å; I543-V602 HydrophobicContact CG2-CB 3.9Å; I543-V602 HydrophobicContact CG2-CG1 4.09Å; I543-V602 HydrophobicContact CG2-CG2 4.01Å
544	L	97	Very high	96.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.5	-77.9	171.1	0	0	0	111.7	P374 A540 R541 Q546 A548 D549 N550 F555 L604	P374-L544 HydrophobicContact CG-CD1 3.81Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.36Å; R541-L544 PolarHBondContact O-N 2.92Å; L544-Q546 PolarHBondContact O-N 3.49Å; L544-A548 HydrophobicContact CD2-CB 3.81Å; L544-A548 CarbonylContact O-C 3.58Å; L544-A548 WeakPolarHBondContact O-CA 3.26Å; L544-A548 VanDerWaalsContact O-CB 3.27Å; L544-A548 WeakPolarHBondContact O-CB 3.45Å; L544-A548 PolarHBondContact O-N 3.43Å; L544-D549 PolarHBondContact O-N 2.92Å; L544-N550 PolarHBondContact O-N 2.76Å; L544-F555 HydrophobicContact CD1-CD2 4.35Å; L544-F555 HydrophobicContact CD2-CB 4.14Å; L544-F555 HydrophobicContact CD2-CD2 4.09Å; L544-F555 HydrophobicContact CG-CD2 4.4Å; L544-L604 HydrophobicContact CD2-CD2 4.31Å
545	Q	95.4	Very high	96.8	Very high	36 Å²	36	25 Å²	25	17%	0.168	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-46.2	176.6	-175.7	178.2	21.9	0	0	111.7	D356 R541 R542 I543 N550	D356-Q545 PolarHBondContact OD2-NE2 3.07Å; R541-Q545 WeakPolarHBondContact O-CB 3.41Å; R541-Q545 PolarHBondContact O-N 2.85Å; R542-Q545 PolarHBondContact O-N 2.93Å; I543-Q545 VanDerWaalsContact C-N 3.34Å; I543-Q545 PolarHBondContact O-N 3.09Å; Q545-N550 WeakPolarHBondContact CA-OD1 3.46Å; Q545-N550 WeakPolarHBondContact CB-OD1 3.02Å; Q545-N550 PolarHBondContact N-OD1 3.32Å; Q545-N550 VanDerWaalsContact N-OD1 3.14Å
546	Q	97.1	Very high	96.7	Very high	93 Å²	93	29.9 Å²	29.9	44%	0.435	15%	0.148	S	C	.	.	H	α-helix	trans	-75.5	-40.6	-173.4	-175.3	60.4	31.2	0	0	113.4	A490 L492 R542 I543 L544 M576	A490-Q546 HydrophobicContact CB-CG 3.77Å; L492-Q546 HydrophobicContact CD1-CB 4.2Å; R542-Q546 VanDerWaalsContact O-CB 3.24Å; R542-Q546 WeakPolarHBondContact O-CB 3.4Å; R542-Q546 PolarHBondContact O-N 3.45Å; I543-Q546 PolarHBondContact O-N 3.23Å; L544-Q546 PolarHBondContact O-N 3.49Å; Q546-M576 HydrophobicContact CB-SD 4.29Å
547	F	97.1	Very high	96.7	Very high	33 Å²	33	30 Å²	30	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-116.6	-10.6	-169.7	-63.6	-72.9	0	0	0	114.3	A490 I543 R554 M576 K578 I583 L604	A490-F547 HydrophobicContact CB-CE2 4.39Å; A490-F547 HydrophobicContact CB-CZ 4.08Å; I543-F547 HydrophobicContact CG2-CD2 4.3Å; I543-F547 PolarHBondContact O-N 3.15Å; F547-R554 PolarHBondContact O-NH1 2.94Å; F547-R554 PolarHBondContact O-NH2 2.93Å; F547-M576 HydrophobicContact CD2-SD 4.28Å; F547-M576 HydrophobicContact CE2-CB 3.69Å; F547-M576 HydrophobicContact CE2-CG 4.26Å; F547-M576 HydrophobicContact CE2-SD 3.76Å; F547-M576 HydrophobicContact CZ-CB 4.24Å; F547-K578 HydrophobicContact CD1-CB 4.49Å; F547-K578 HydrophobicContact CD1-CD 3.94Å; F547-K578 HydrophobicContact CE1-CB 3.97Å; F547-K578 HydrophobicContact CE1-CD 4.02Å; F547-K578 HydrophobicContact CZ-CB 4.4Å; F547-I583 HydrophobicContact CB-CD1 3.98Å; F547-I583 HydrophobicContact CB-CG1 4.09Å; F547-I583 HydrophobicContact CD1-CD1 3.9Å; F547-I583 HydrophobicContact CD2-CB 4.47Å; F547-I583 HydrophobicContact CD2-CD1 3.92Å; F547-I583 HydrophobicContact CD2-CG1 3.93Å; F547-I583 HydrophobicContact CD2-CG2 3.75Å; F547-I583 HydrophobicContact CE1-CD1 4.35Å; F547-I583 HydrophobicContact CE2-CD1 4.37Å; F547-I583 HydrophobicContact CE2-CG2 3.68Å; F547-I583 HydrophobicContact CG-CD1 3.65Å; F547-I583 HydrophobicContact CG-CG1 4Å; F547-I583 HydrophobicContact CZ-CG2 4.45Å; F547-L604 HydrophobicContact CB-CD1 3.79Å
548	A	95.5	Very high	96.8	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-122.9	1.3	179.4	0	0	0	0	0	114.7	L544 N550 D551 R554 L604	L544-A548 HydrophobicContact CD2-CB 3.81Å; L544-A548 CarbonylContact O-C 3.58Å; L544-A548 WeakPolarHBondContact O-CA 3.26Å; L544-A548 VanDerWaalsContact O-CB 3.27Å; L544-A548 WeakPolarHBondContact O-CB 3.45Å; L544-A548 PolarHBondContact O-N 3.43Å; A548-N550 PolarHBondContact O-N 3Å; A548-D551 WeakPolarHBondContact O-CB 3.24Å; A548-D551 PolarHBondContact O-N 2.65Å; A548-R554 HydrophobicContact CB-CB 4.18Å; A548-L604 HydrophobicContact CB-CD1 4.28Å; A548-L604 HydrophobicContact CB-CD2 4.31Å
549	D	93.7	Very high	96.8	Very high	108 Å²	108	29.9 Å²	29.9	58%	0.578	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.2	-174.4	-162.6	33.9	0	0	0	113.2	K358 L544 D551	K358-D549 IonicContact NZ-OD1 2.63Å; K358-D549 PolarHBondContact NZ-OD1 3.31Å; L544-D549 PolarHBondContact O-N 2.92Å; D549-D551 PolarHBondContact O-N 3.03Å; D549-D551 VanDerWaalsContact O-N 3.12Å
550	N	94.7	Very high	96.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	22	-172.8	-76.7	-12.5	0	0	0	114.5	K358 K361 F362 L544 Q545 A548 V552	K358-N550 PolarHBondContact O-ND2 3.23Å; K358-N550 VanDerWaalsContact O-ND2 3.15Å; K361-N550 HydrophobicContact CD-CB 4.37Å; K361-N550 PolarHBondContact NZ-O 2.9Å; K361-N550 VanDerWaalsContact NZ-O 3.08Å; F362-N550 HydrophobicContact CE2-CB 4.02Å; F362-N550 HydrophobicContact CZ-CB 3.98Å; L544-N550 PolarHBondContact O-N 2.76Å; Q545-N550 WeakPolarHBondContact CA-OD1 3.46Å; Q545-N550 WeakPolarHBondContact CB-OD1 3.02Å; Q545-N550 PolarHBondContact N-OD1 3.32Å; Q545-N550 VanDerWaalsContact N-OD1 3.14Å; A548-N550 PolarHBondContact O-N 3Å; N550-V552 PolarHBondContact O-N 2.89Å
551	D	95.1	Very high	96.7	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	17%	0.166	S	C	.	.			trans	-78	103.3	169.2	-174.9	-3.9	0	0	0	110.2	A548 D549 S553 R554	A548-D551 WeakPolarHBondContact O-CB 3.24Å; A548-D551 PolarHBondContact O-N 2.65Å; D549-D551 PolarHBondContact O-N 3.03Å; D549-D551 VanDerWaalsContact O-N 3.12Å; D551-S553 PolarHBondContact O-N 3.1Å; D551-S553 VanDerWaalsContact OD1-CB 3.28Å; D551-S553 WeakPolarHBondContact OD1-CB 3.14Å; D551-S553 PolarHBondContact OD1-N 2.82Å; D551-S553 PolarHBondContact OD1-OG 3.18Å; D551-S553 PolarHBondContact OD2-OG 3.33Å; D551-S553 VanDerWaalsContact OD2-OG 3.13Å; D551-R554 HydrophobicContact CB-CG 4.14Å; D551-R554 PolarHBondContact O-N 3.17Å
552	V	95.4	Very high	96.6	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-67	-21.1	-180	-58.3	0	0	0	0	113	F362 P374 P415 N550 R554 F555	F362-V552 HydrophobicContact CE1-CG1 3.6Å; F362-V552 HydrophobicContact CZ-CG1 4.04Å; P374-V552 HydrophobicContact CG-CB 4Å; P374-V552 HydrophobicContact CG-CG1 4.14Å; P415-V552 HydrophobicContact CB-CG2 4.46Å; N550-V552 PolarHBondContact O-N 2.89Å; V552-R554 PolarHBondContact O-N 3.12Å; V552-F555 WeakPolarHBondContact O-CB 3.41Å; V552-F555 PolarHBondContact O-N 2.79Å
553	S	94.7	Very high	96.5	Very high	68 Å²	68	36.9 Å²	36.9	48%	0.476	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-70.2	-19.7	177.5	77.4	0	0	0	0	112.7	D551	D551-S553 PolarHBondContact O-N 3.1Å; D551-S553 VanDerWaalsContact OD1-CB 3.28Å; D551-S553 WeakPolarHBondContact OD1-CB 3.14Å; D551-S553 PolarHBondContact OD1-N 2.82Å; D551-S553 PolarHBondContact OD1-OG 3.18Å; D551-S553 PolarHBondContact OD2-OG 3.33Å; D551-S553 VanDerWaalsContact OD2-OG 3.13Å
554	R	95.8	Very high	96.3	Very high	50 Å²	50	42.1 Å²	42.1	19%	0.189	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-83.3	-11.2	175.4	-63.4	-175.1	63.5	-153.1	-14.3	112.9	F547 A548 D551 V552 K556 L604 A605	F547-R554 PolarHBondContact O-NH1 2.94Å; F547-R554 PolarHBondContact O-NH2 2.93Å; A548-R554 HydrophobicContact CB-CB 4.18Å; D551-R554 HydrophobicContact CB-CG 4.14Å; D551-R554 PolarHBondContact O-N 3.17Å; V552-R554 PolarHBondContact O-N 3.12Å; R554-K556 PolarHBondContact O-N 3.22Å; R554-L604 CarbonylContact O-C 3.58Å; R554-L604 WeakPolarHBondContact O-CA 3.09Å; R554-A605 PolarHBondContact O-N 3.29Å
555	F	98.1	Very high	96.2	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.3	177.5	-173.4	-88	0	0	0	110.6	P374 T375 L410 L412 L544 V552 I558 V602	P374-F555 HydrophobicContact CB-CB 3.83Å; P374-F555 HydrophobicContact CB-CD1 3.38Å; P374-F555 HydrophobicContact CB-CD2 3.75Å; P374-F555 HydrophobicContact CB-CE1 3.7Å; P374-F555 HydrophobicContact CB-CE2 4.05Å; P374-F555 HydrophobicContact CB-CG 3.36Å; P374-F555 HydrophobicContact CB-CZ 3.99Å; P374-F555 HydrophobicContact CG-CB 3.55Å; P374-F555 HydrophobicContact CG-CD1 4.12Å; P374-F555 HydrophobicContact CG-CD2 4.02Å; P374-F555 HydrophobicContact CG-CG 3.64Å; T375-F555 HydrophobicContact CG2-CZ 4.38Å; L410-F555 HydrophobicContact CD2-CE1 4.33Å; L410-F555 HydrophobicContact CD2-CZ 4.44Å; L412-F555 HydrophobicContact CB-CD1 4.3Å; L412-F555 HydrophobicContact CD1-CD1 3.9Å; L412-F555 HydrophobicContact CD1-CE1 4.31Å; L412-F555 HydrophobicContact CG-CD1 3.98Å; L412-F555 HydrophobicContact CG-CE1 4.08Å; L544-F555 HydrophobicContact CD1-CD2 4.35Å; L544-F555 HydrophobicContact CD2-CB 4.14Å; L544-F555 HydrophobicContact CD2-CD2 4.09Å; L544-F555 HydrophobicContact CG-CD2 4.4Å; V552-F555 WeakPolarHBondContact O-CB 3.41Å; V552-F555 PolarHBondContact O-N 2.79Å; F555-I558 HydrophobicContact CE1-CG2 4.44Å; F555-I558 HydrophobicContact CE2-CB 4.19Å; F555-I558 HydrophobicContact CE2-CG2 4.32Å; F555-I558 HydrophobicContact CZ-CB 3.82Å; F555-I558 HydrophobicContact CZ-CG2 3.54Å; F555-V602 HydrophobicContact CD2-CG1 4.13Å; F555-V602 HydrophobicContact CE2-CG1 4.06Å
556	K	97.7	Very high	96.3	Very high	106 Å²	106	43 Å²	43	46%	0.461	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-57.3	175	-176.2	174.6	-179	173.8	0	111.9	E411 L412 R554 D603	E411-K556 WeakPolarHBondContact CA-O 3.49Å; L412-K556 PolarHBondContact N-O 3.18Å; R554-K556 PolarHBondContact O-N 3.22Å; K556-D603 WeakPolarHBondContact CA-O 3.18Å; K556-D603 HydrophobicContact CB-CB 4.28Å; K556-D603 WeakPolarHBondContact CB-O 3.22Å; K556-D603 PolarHBondContact N-O 3.31Å
557	A	98.4	Very high	96.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.6	-177	0	0	0	0	0	112.1	Y409 L410 E411 V602 D603	Y409-A557 HydrophobicContact CE2-CB 4Å; L410-A557 CarbonylContact O-C 3.53Å; L410-A557 WeakPolarHBondContact O-CA 3.12Å; L410-A557 WeakPolarHBondContact O-CB 3.21Å; E411-A557 HydrophobicContact CB-CB 4.13Å; E411-A557 HydrophobicContact CG-CB 4.26Å; A557-V602 CarbonylContact O-C 3.48Å; A557-V602 VanDerWaalsContact O-CA 3.3Å; A557-V602 WeakPolarHBondContact O-CA 3.49Å; A557-D603 HydrophobicContact CB-CB 4.33Å; A557-D603 PolarHBondContact N-O 3.1Å; A557-D603 PolarHBondContact O-N 3.36Å
558	I	98.7	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.8	173.1	-177	170.1	0	0	0	109.3	Y409 L410 F536 A540 F555 F585 Y601 V602	Y409-I558 VanDerWaalsContact CA-O 3.31Å; Y409-I558 WeakPolarHBondContact CA-O 3.31Å; Y409-I558 VanDerWaalsContact CD2-O 3.31Å; Y409-I558 WeakPolarHBondContact CD2-O 3.3Å; L410-I558 HydrophobicContact CB-CG2 3.81Å; L410-I558 HydrophobicContact CD2-CG2 4.42Å; L410-I558 HydrophobicContact CG-CG2 4.47Å; L410-I558 PolarHBondContact N-O 2.88Å; L410-I558 PolarHBondContact O-N 2.88Å; F536-I558 HydrophobicContact CD1-CD1 4.42Å; F536-I558 HydrophobicContact CD2-CD1 3.95Å; F536-I558 HydrophobicContact CD2-CG1 4.41Å; F536-I558 HydrophobicContact CE1-CD1 4.04Å; F536-I558 HydrophobicContact CE1-CG2 3.91Å; F536-I558 HydrophobicContact CE2-CB 4.38Å; F536-I558 HydrophobicContact CE2-CD1 3.53Å; F536-I558 HydrophobicContact CE2-CG1 3.6Å; F536-I558 HydrophobicContact CE2-CG2 3.92Å; F536-I558 HydrophobicContact CG-CD1 4.41Å; F536-I558 HydrophobicContact CZ-CB 4.11Å; F536-I558 HydrophobicContact CZ-CD1 3.64Å; F536-I558 HydrophobicContact CZ-CG1 3.78Å; F536-I558 HydrophobicContact CZ-CG2 3.21Å; A540-I558 HydrophobicContact CB-CD1 3.74Å; F555-I558 HydrophobicContact CE1-CG2 4.44Å; F555-I558 HydrophobicContact CE2-CB 4.19Å; F555-I558 HydrophobicContact CE2-CG2 4.32Å; F555-I558 HydrophobicContact CZ-CB 3.82Å; F555-I558 HydrophobicContact CZ-CG2 3.54Å; I558-F585 HydrophobicContact CD1-CE1 4.15Å; I558-F585 HydrophobicContact CD1-CZ 4.03Å; I558-F585 HydrophobicContact CG1-CE1 4.14Å; I558-F585 HydrophobicContact CG1-CZ 4.35Å; I558-Y601 CarbonylContact C-O 3.59Å; I558-Y601 VanDerWaalsContact CA-O 3.28Å; I558-Y601 WeakPolarHBondContact CA-O 3.26Å; I558-Y601 WeakPolarHBondContact CG1-O 3.43Å; I558-V602 HydrophobicContact CB-CG2 4.07Å; I558-V602 HydrophobicContact CD1-CG2 3.7Å; I558-V602 HydrophobicContact CG1-CG2 3.73Å
559	K	98.4	Very high	96.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	172.2	178.5	67.5	-166.2	-167.3	0	108.7	E407 Q408 Y409 K478 A480 A600 Y601	E407-K559 WeakPolarHBondContact OE2-CE 3.24Å; E407-K559 IonicContact OE2-NZ 2.73Å; E407-K559 PolarHBondContact OE2-NZ 2.75Å; Q408-K559 WeakPolarHBondContact O-CA 3.48Å; Y409-K559 HydrophobicContact CD2-CB 4.05Å; Y409-K559 HydrophobicContact CD2-CD 4.2Å; K478-K559 HydrophobicContact CB-CD 4.34Å; K478-K559 WeakPolarHBondContact O-CD 3.4Å; K478-K559 WeakPolarHBondContact O-CE 3.42Å; K478-K559 PolarHBondContact O-NZ 2.93Å; A480-K559 HydrophobicContact CB-CG 4.3Å; K559-A600 CarbonylContact O-C 3.5Å; K559-A600 WeakPolarHBondContact O-CA 3.3Å; K559-A600 VanDerWaalsContact O-CB 3.22Å; K559-A600 WeakPolarHBondContact O-CB 3.36Å; K559-Y601 HydrophobicContact CB-CD1 3.9Å; K559-Y601 HydrophobicContact CB-CE1 3.39Å; K559-Y601 HydrophobicContact CB-CE2 4.07Å; K559-Y601 HydrophobicContact CB-CG 4.43Å; K559-Y601 VanDerWaalsContact CB-CZ 3.47Å; K559-Y601 HydrophobicContact CG-CE1 3.88Å; K559-Y601 PolarHBondContact N-O 2.73Å; K559-Y601 PolarHBondContact O-N 3.23Å
560	A	97.8	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.4	174.9	0	0	0	0	0	112.5	E407 Q408 F536 F585 I597 A600	E407-A560 VanDerWaalsContact CA-O 3.27Å; E407-A560 WeakPolarHBondContact CA-O 3.4Å; E407-A560 WeakPolarHBondContact CB-O 3.49Å; Q408-A560 PolarHBondContact N-O 3.42Å; Q408-A560 PolarHBondContact O-N 3.5Å; F536-A560 HydrophobicContact CD2-CB 3.69Å; F536-A560 HydrophobicContact CE2-CB 3.86Å; A560-F585 HydrophobicContact CB-CZ 4.37Å; A560-I597 HydrophobicContact CB-CG2 3.83Å; A560-A600 HydrophobicContact CB-CB 3.89Å
561	R	97.3	Very high	96.8	Very high	103 Å²	103	39 Å²	39	39%	0.389	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.3	165.3	176.9	-179	-68.4	172.1	1.7	110.1	E407 I597 S598	E407-R561 HydrophobicContact CG-CB 4Å; E407-R561 HydrophobicContact CG-CG 4.05Å; E407-R561 IonicContact OE1-CZ 3.97Å; E407-R561 IonicContact OE1-NE 3.89Å; E407-R561 PolarHBondContact OE1-NE 3.42Å; E407-R561 IonicContact OE1-NH2 2.96Å; E407-R561 PolarHBondContact OE1-NH2 2.98Å; R561-I597 WeakPolarHBondContact O-CA 3.42Å; R561-S598 WeakPolarHBondContact CB-O 3.27Å; R561-S598 PolarHBondContact N-O 3.12Å; R561-S598 VanDerWaalsContact N-O 3.11Å; R561-S598 PolarHBondContact O-N 2.68Å
562	F	96.6	Very high	97	Very high	33 Å²	33	36 Å²	36	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.9	173.4	-53.7	-62.6	0	0	0	109.2	H405 G406 Q408 G532 L533 F536 I597	H405-F562 HydrophobicContact CB-CD2 4.44Å; H405-F562 AromaticContact CD2-CE2 3.88Å; H405-F562 AromaticContact CG-CE2 3.98Å; H405-F562 VanDerWaalsContact O-CD2 3.26Å; H405-F562 WeakPolarHBondContact O-CD2 3.33Å; G406-F562 PolarHBondContact O-N 3.32Å; Q408-F562 HydrophobicContact CB-CE2 3.91Å; Q408-F562 HydrophobicContact CB-CZ 3.96Å; G532-F562 WeakPolarHBondContact O-CE1 3.49Å; L533-F562 HydrophobicContact CD2-CZ 3.99Å; L533-F562 HydrophobicContact CG-CZ 4.47Å; F536-F562 HydrophobicContact CB-CE1 4.08Å; F536-F562 HydrophobicContact CB-CZ 4.34Å; F536-F562 HydrophobicContact CD2-CZ 4.43Å; F562-I597 HydrophobicContact CD1-CG1 4.2Å; F562-I597 HydrophobicContact CE1-CD1 4.37Å; F562-I597 HydrophobicContact CE1-CG1 4.45Å
563	A	94	Very high	97.2	Very high	52 Å²	52	36.8 Å²	36.8	43%	0.43	19%	0.192	S	C	.	.			trans	-109.4	-39	-170.5	0	0	0	0	0	113.2	I595 V596	A563-I595 WeakPolarHBondContact CB-O 3.34Å; A563-V596 PolarHBondContact N-O 3.03Å
564	K	94.8	Very high	97.4	Very high	110 Å²	110	33.5 Å²	33.5	48%	0.478	17%	0.169	S	C	.	.	S	Bend	trans	-147.3	154.8	-175.7	-74.9	-171.4	177.7	-167.2	0	111	D594 V596	K564-D594 HydrophobicContact CD-CB 3.83Å; K564-D594 IonicContact NZ-OD1 3.64Å; K564-D594 PolarHBondContact NZ-OD1 3.09Å; K564-V596 HydrophobicContact CB-CG1 3.98Å
565	P	94.5	Very high	97.5	Very high	51 Å²	51	32.1 Å²	32.1	33%	0.331	17%	0.165	S	C	.	.			trans	-68.7	151.3	177.5	29.1	-34.8	0	0	0	111.9	F525 I529	F525-P565 HydrophobicContact CD1-CB 4.48Å; F525-P565 HydrophobicContact CE1-CB 4.19Å; F525-P565 HydrophobicContact CE1-CG 4.27Å; I529-P565 HydrophobicContact CB-CB 4.17Å; I529-P565 HydrophobicContact CD1-CB 4.15Å; I529-P565 HydrophobicContact CG2-CB 3.65Å
566	V	97.4	Very high	97.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	16%	0.163	C	C	.	.			trans	-112.3	142.2	166.9	174.2	0	0	0	0	107.5	I529 L530 T535 L572 V589 V596	I529-V566 CarbonylContact C-O 3.58Å; I529-V566 WeakPolarHBondContact CA-O 3.39Å; L530-V566 HydrophobicContact CB-CB 4.1Å; L530-V566 HydrophobicContact CB-CG1 4.13Å; L530-V566 WeakPolarHBondContact CB-O 3.31Å; L530-V566 HydrophobicContact CD2-CB 4.48Å; L530-V566 HydrophobicContact CD2-CG1 3.93Å; L530-V566 PolarHBondContact N-O 3.49Å; T535-V566 HydrophobicContact CG2-CG2 4.25Å; V566-L572 HydrophobicContact CG1-CD2 3.92Å; V566-L572 HydrophobicContact CG2-CD2 3.89Å; V566-V589 HydrophobicContact CG2-CG2 4.13Å; V566-V596 HydrophobicContact CG2-CB 3.75Å; V566-V596 HydrophobicContact CG2-CG1 3.66Å; V566-V596 HydrophobicContact CG2-CG2 3.68Å
567	Y	97.4	Very high	97.6	Very high	45 Å²	45	26.9 Å²	26.9	18%	0.176	14%	0.142	C	C	.	.			trans	-103.3	135.9	172.5	-63.3	-77.9	0	0	0	110.8	K527 I529 G569 Q570	K527-Y567 HydrophobicContact CD-CD1 3.85Å; K527-Y567 HydrophobicContact CD-CE1 4.13Å; K527-Y567 HydrophobicContact CD-CG 4.46Å; K527-Y567 HydrophobicContact CG-CD1 3.39Å; K527-Y567 HydrophobicContact CG-CE1 3.33Å; K527-Y567 HydrophobicContact CG-CG 4.42Å; I529-Y567 HydrophobicContact CG2-CD1 3.93Å; I529-Y567 HydrophobicContact CG2-CE1 3.51Å; Y567-G569 PolarHBondContact O-N 3.32Å; Y567-Q570 VanDerWaalsContact O-CB 3.31Å; Y567-Q570 WeakPolarHBondContact O-CB 3.37Å; Y567-Q570 WeakPolarHBondContact O-CG 3.15Å; Y567-Q570 PolarHBondContact O-N 3.3Å; Y567-Q570 VanDerWaalsContact O-N 3.11Å
568	P	97.9	Very high	97.5	Very high	26 Å²	26	32 Å²	32	17%	0.169	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.8	174.7	-25.8	35	0	0	0	111.7	S497 L498 A501 L530	S497-P568 WeakPolarHBondContact O-CB 2.95Å; L498-P568 VanDerWaalsContact O-CB 3.31Å; L498-P568 WeakPolarHBondContact O-CB 3.27Å; A501-P568 HydrophobicContact CB-CG 3.86Å; L530-P568 HydrophobicContact CB-CG 4.43Å
569	G	97.1	Very high	97.4	Very high	29 Å²	29	36.8 Å²	36.8	30%	0.299	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-19.5	-172.8	0	0	0	0	0	114.5	T496 S497 Y567	T496-G569 WeakPolarHBondContact O-CA 3.45Å; T496-G569 PolarHBondContact O-N 3.24Å; T496-G569 PolarHBondContact OG1-N 3.02Å; S497-G569 PolarHBondContact O-N 2.82Å; Y567-G569 PolarHBondContact O-N 3.32Å
570	Q	98.2	Very high	97.2	Very high	37 Å²	37	39.4 Å²	39.4	17%	0.173	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-75.3	157.9	177.7	-69.7	-176.7	-48.5	0	0	112.4	T496 Y567 V589	T496-Q570 PolarHBondContact N-O 2.97Å; T496-Q570 PolarHBondContact OG1-N 3.47Å; T496-Q570 PolarHBondContact OG1-O 2.98Å; Y567-Q570 VanDerWaalsContact O-CB 3.31Å; Y567-Q570 WeakPolarHBondContact O-CB 3.37Å; Y567-Q570 WeakPolarHBondContact O-CG 3.15Å; Y567-Q570 PolarHBondContact O-N 3.3Å; Y567-Q570 VanDerWaalsContact O-N 3.11Å; Q570-V589 HydrophobicContact CB-CG1 4.14Å; Q570-V589 HydrophobicContact CG-CG1 4.27Å
571	T	98.6	Very high	97.1	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	179.6	-50.9	0	0	0	0	110.8	D494 T495 V589 Q590 E591	D494-T571 WeakPolarHBondContact O-CA 3.34Å; T495-T571 PolarHBondContact OG1-OG1 2.97Å; T571-V589 WeakPolarHBondContact O-CA 3.43Å; T571-Q590 HydrophobicContact CG2-CB 4.3Å; T571-Q590 VanDerWaalsContact CG2-OE1 3.23Å; T571-Q590 PolarHBondContact O-N 3.37Å; T571-E591 WeakPolarHBondContact CB-OE1 3.44Å; T571-E591 PolarHBondContact N-OE1 3.43Å; T571-E591 PolarHBondContact N-OE2 3.4Å; T571-E591 VanDerWaalsContact N-OE2 3.12Å; T571-E591 PolarHBondContact OG1-OE1 2.88Å
572	L	98.7	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.9	174.2	-60.3	175.6	0	0	0	109.2	T493 D494 T496 T535 F538 V566 T587 V596	T493-L572 CarbonylContact C-O 3.46Å; T493-L572 WeakPolarHBondContact CA-O 3.42Å; D494-L572 HydrophobicContact CB-CB 4.46Å; D494-L572 PolarHBondContact N-O 3.01Å; D494-L572 PolarHBondContact O-N 3Å; T496-L572 HydrophobicContact CG2-CD1 3.75Å; T496-L572 HydrophobicContact CG2-CG 4Å; T535-L572 HydrophobicContact CG2-CD1 3.98Å; T535-L572 HydrophobicContact CG2-CD2 3.86Å; F538-L572 HydrophobicContact CB-CD1 3.89Å; F538-L572 HydrophobicContact CD1-CD1 4.26Å; F538-L572 HydrophobicContact CD2-CD1 4.19Å; F538-L572 HydrophobicContact CG-CD1 3.87Å; V566-L572 HydrophobicContact CG1-CD2 3.92Å; V566-L572 HydrophobicContact CG2-CD2 3.89Å; L572-T587 HydrophobicContact CB-CG2 4.08Å; L572-T587 HydrophobicContact CD2-CG2 4.18Å; L572-V596 HydrophobicContact CD2-CG2 4.46Å
573	Q	98.6	Very high	97.2	Very high	31 Å²	31	39.8 Å²	39.8	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.2	170.6	-179.9	175	0	0	0	108.7	V491 T493 E575 T587 K588	V491-Q573 HydrophobicContact CG1-CG 3.56Å; T493-Q573 HydrophobicContact CG2-CB 4.13Å; T493-Q573 HydrophobicContact CG2-CG 4.1Å; Q573-E575 HydrophobicContact CG-CG 4.43Å; Q573-T587 WeakPolarHBondContact O-CA 3.13Å; Q573-K588 HydrophobicContact CB-CG 3.88Å; Q573-K588 HydrophobicContact CG-CG 4.4Å; Q573-K588 PolarHBondContact N-O 3.41Å; Q573-K588 PolarHBondContact O-N 3.2Å
574	T	98.6	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.4	178.6	-53.1	0	0	0	0	108.9	V491 L492 M576 F585	V491-T574 WeakPolarHBondContact CA-O 3.13Å; L492-T574 PolarHBondContact N-O 3.49Å; L492-T574 PolarHBondContact O-N 2.7Å; T574-M576 HydrophobicContact CG2-CE 4.45Å; T574-M576 HydrophobicContact CG2-CG 4Å; T574-M576 HydrophobicContact CG2-SD 4.39Å; T574-F585 HydrophobicContact CG2-CD2 4.29Å
575	E	98.6	Very high	97.6	Very high	21 Å²	21	32.7 Å²	32.7	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134	177.2	-61.4	177.6	162.6	0	0	108.9	P488 V491 Q573 W577 F585 Q586 K588	P488-E575 HydrophobicContact CB-CB 4.13Å; P488-E575 HydrophobicContact CG-CB 4.4Å; V491-E575 HydrophobicContact CG1-CG 4.37Å; V491-E575 HydrophobicContact CG2-CG 4.17Å; Q573-E575 HydrophobicContact CG-CG 4.43Å; E575-W577 VanDerWaalsContact C-CZ3 3.48Å; E575-W577 HydrophobicContact CB-CH2 3.49Å; E575-W577 VanDerWaalsContact CB-CH2 3.49Å; E575-W577 HydrophobicContact CB-CZ2 4.41Å; E575-W577 HydrophobicContact CB-CZ3 3.67Å; E575-W577 VanDerWaalsContact O-CZ3 3.24Å; E575-W577 WeakPolarHBondContact O-CZ3 3.33Å; E575-F585 CarbonylContact O-C 3.55Å; E575-F585 WeakPolarHBondContact O-CA 3.4Å; E575-F585 VanDerWaalsContact O-CB 3.3Å; E575-F585 WeakPolarHBondContact O-CB 3.46Å; E575-Q586 HydrophobicContact CB-CG 4.11Å; E575-Q586 PolarHBondContact N-O 2.93Å; E575-Q586 PolarHBondContact O-N 3.44Å; E575-Q586 PolarHBondContact OE2-NE2 3.08Å; E575-K588 VanDerWaalsContact OE1-CE 3.31Å; E575-K588 WeakPolarHBondContact OE1-CE 3.42Å; E575-K588 IonicContact OE1-NZ 2.73Å; E575-K588 PolarHBondContact OE1-NZ 3.19Å
576	M	98.6	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.8	-167.4	-60.8	167.5	-93.1	0	0	111.6	P488 D489 A490 L492 I543 Q546 F547 T574 I583 H584 F585	P488-M576 CarbonylContact C-O 3.56Å; D489-M576 PolarHBondContact N-O 3.06Å; A490-M576 HydrophobicContact CB-CB 4.42Å; A490-M576 HydrophobicContact CB-CE 3.98Å; A490-M576 PolarHBondContact N-O 3.01Å; A490-M576 PolarHBondContact O-N 3.08Å; L492-M576 HydrophobicContact CB-CE 3.97Å; L492-M576 HydrophobicContact CD1-CE 3.88Å; L492-M576 HydrophobicContact CG-CE 3.73Å; I543-M576 HydrophobicContact CB-SD 4.35Å; I543-M576 HydrophobicContact CG1-CG 3.88Å; I543-M576 HydrophobicContact CG1-SD 3.57Å; I543-M576 VanDerWaalsContact CG1-SD 3.57Å; Q546-M576 HydrophobicContact CB-SD 4.29Å; F547-M576 HydrophobicContact CD2-SD 4.28Å; F547-M576 HydrophobicContact CE2-CB 3.69Å; F547-M576 HydrophobicContact CE2-CG 4.26Å; F547-M576 HydrophobicContact CE2-SD 3.76Å; F547-M576 HydrophobicContact CZ-CB 4.24Å; T574-M576 HydrophobicContact CG2-CE 4.45Å; T574-M576 HydrophobicContact CG2-CG 4Å; T574-M576 HydrophobicContact CG2-SD 4.39Å; M576-I583 HydrophobicContact CB-CG2 3.99Å; M576-I583 HydrophobicContact CG-CG2 4.42Å; M576-H584 CarbonylContact C-O 3.51Å; M576-H584 WeakPolarHBondContact CA-O 3.36Å; M576-F585 HydrophobicContact CG-CB 4.28Å
577	W	98.6	Very high	97.9	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.8	176.4	-60	-106.8	0	0	0	109.8	I483 P484 R486 P487 P488 D489 E575 I583 H584 Q586	I483-W577 HydrophobicContact CB-CE3 4.21Å; I483-W577 HydrophobicContact CB-CH2 4.3Å; I483-W577 HydrophobicContact CB-CZ3 4.1Å; I483-W577 HydrophobicContact CD1-CH2 3.71Å; I483-W577 HydrophobicContact CD1-CZ2 3.86Å; I483-W577 HydrophobicContact CD1-CZ3 4.32Å; I483-W577 HydrophobicContact CG2-CE3 4.02Å; I483-W577 HydrophobicContact CG2-CH2 4.21Å; I483-W577 HydrophobicContact CG2-CZ3 3.69Å; P484-W577 HydrophobicContact CB-CB 4.49Å; P484-W577 HydrophobicContact CB-CG 4.34Å; P484-W577 HydrophobicContact CG-CB 3.75Å; P484-W577 HydrophobicContact CG-CG 4.01Å; R486-W577 PolarHBondContact O-NE1 2.91Å; P487-W577 VanDerWaalsContact C-NE1 3.29Å; P487-W577 PolarHBondContact O-NE1 3.17Å; P488-W577 VanDerWaalsContact CA-CE2 3.5Å; P488-W577 VanDerWaalsContact CA-NE1 3.32Å; P488-W577 HydrophobicContact CB-CD2 4.14Å; P488-W577 HydrophobicContact CB-CH2 4.17Å; P488-W577 HydrophobicContact CB-CZ2 3.71Å; P488-W577 HydrophobicContact CG-CZ2 4.18Å; D489-W577 WeakPolarHBondContact OD2-CA 3.21Å; E575-W577 VanDerWaalsContact C-CZ3 3.48Å; E575-W577 HydrophobicContact CB-CH2 3.49Å; E575-W577 VanDerWaalsContact CB-CH2 3.49Å; E575-W577 HydrophobicContact CB-CZ2 4.41Å; E575-W577 HydrophobicContact CB-CZ3 3.67Å; E575-W577 VanDerWaalsContact O-CZ3 3.24Å; E575-W577 WeakPolarHBondContact O-CZ3 3.33Å; W577-I583 CarbonylContact O-C 3.49Å; W577-I583 WeakPolarHBondContact O-CA 3.35Å; W577-H584 HydrophobicContact CB-CB 4.26Å; W577-H584 PolarHBondContact N-O 3.11Å; W577-H584 PolarHBondContact O-N 2.76Å; W577-Q586 HydrophobicContact CH2-CG 3.91Å; W577-Q586 HydrophobicContact CZ3-CG 3.95Å
578	K	97.8	Very high	97.9	Very high	109 Å²	109	31.1 Å²	31.1	47%	0.474	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.4	178.8	-178.9	175	-178.7	-170.6	0	110.7	R486 D489 F547 G580 I583	R486-K578 PolarHBondContact NH2-O 3.29Å; D489-K578 PolarHBondContact OD2-N 3.11Å; F547-K578 HydrophobicContact CD1-CB 4.49Å; F547-K578 HydrophobicContact CD1-CD 3.94Å; F547-K578 HydrophobicContact CE1-CB 3.97Å; F547-K578 HydrophobicContact CE1-CD 4.02Å; F547-K578 HydrophobicContact CZ-CB 4.4Å; K578-G580 VanDerWaalsContact CE-O 3.24Å; K578-G580 WeakPolarHBondContact CE-O 3.46Å; K578-I583 HydrophobicContact CB-CD1 3.74Å; K578-I583 HydrophobicContact CD-CD1 4.16Å; K578-I583 HydrophobicContact CG-CD1 3.6Å
579	E	96.4	Very high	98	Very high	99 Å²	99	30 Å²	30	46%	0.463	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	97.1	169.8	-66.7	-167.5	168.4	0	0	109.1	P484 N581 R582 H584	P484-E579 HydrophobicContact CG-CG 4.46Å; P484-E579 WeakPolarHBondContact CG-OE1 3.24Å; E579-N581 PolarHBondContact O-N 3.34Å; E579-N581 VanDerWaalsContact O-N 3.16Å; E579-R582 PolarHBondContact N-O 2.68Å; E579-R582 PolarHBondContact O-N 3.19Å; E579-H584 IonicContact OE2-NE2 3.11Å
580	G	94.3	Very high	98	Very high	58 Å²	58	33.5 Å²	33.5	60%	0.598	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	-117	-171.5	0	0	0	0	0	111.6	K578	K578-G580 VanDerWaalsContact CE-O 3.24Å; K578-G580 WeakPolarHBondContact CE-O 3.46Å
581	N	95.5	Very high	97.9	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.5	178.8	-72.4	-26	0	0	0	113.7	E579 L604	E579-N581 PolarHBondContact O-N 3.34Å; E579-N581 VanDerWaalsContact O-N 3.16Å; N581-L604 WeakPolarHBondContact CB-O 3.46Å; N581-L604 PolarHBondContact O-N 2.91Å
582	R	97.9	Very high	97.8	Very high	71 Å²	71	39.6 Å²	39.6	27%	0.268	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.7	177	-179.1	166.3	-73.8	-175.4	-5.7	109.8	E579 H584 Y601 V602 D603	E579-R582 PolarHBondContact N-O 2.68Å; E579-R582 PolarHBondContact O-N 3.19Å; R582-H584 WeakPolarHBondContact CD-NE2 2.9Å; R582-Y601 HydrophobicContact CG-CD2 4.26Å; R582-Y601 HydrophobicContact CG-CG 4.23Å; R582-V602 CarbonylContact C-O 3.52Å; R582-V602 WeakPolarHBondContact CA-O 3.39Å; R582-D603 WeakPolarHBondContact CB-OD1 3.36Å; R582-D603 WeakPolarHBondContact CG-OD1 3.2Å; R582-D603 IonicContact CZ-OD1 3.74Å; R582-D603 IonicContact CZ-OD2 2.71Å; R582-D603 IonicContact NE-OD1 2.76Å; R582-D603 PolarHBondContact NE-OD1 3.26Å; R582-D603 IonicContact NE-OD2 3.26Å; R582-D603 IonicContact NH2-OD1 2.64Å; R582-D603 PolarHBondContact NH2-OD1 2.74Å; R582-D603 IonicContact NH2-OD2 3.68Å; R582-D603 PolarHBondContact NH2-OD2 2.81Å
583	I	98.5	Very high	97.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	103.4	171.5	-46.9	-55.5	0	0	0	107.4	I543 F547 M576 W577 K578 Y601 V602 L604	I543-I583 HydrophobicContact CG1-CG2 4.39Å; I543-I583 HydrophobicContact CG2-CB 3.94Å; I543-I583 HydrophobicContact CG2-CG1 4Å; I543-I583 HydrophobicContact CG2-CG2 3.98Å; F547-I583 HydrophobicContact CB-CD1 3.98Å; F547-I583 HydrophobicContact CB-CG1 4.09Å; F547-I583 HydrophobicContact CD1-CD1 3.9Å; F547-I583 HydrophobicContact CD2-CB 4.47Å; F547-I583 HydrophobicContact CD2-CD1 3.92Å; F547-I583 HydrophobicContact CD2-CG1 3.93Å; F547-I583 HydrophobicContact CD2-CG2 3.75Å; F547-I583 HydrophobicContact CE1-CD1 4.35Å; F547-I583 HydrophobicContact CE2-CD1 4.37Å; F547-I583 HydrophobicContact CE2-CG2 3.68Å; F547-I583 HydrophobicContact CG-CD1 3.65Å; F547-I583 HydrophobicContact CG-CG1 4Å; F547-I583 HydrophobicContact CZ-CG2 4.45Å; M576-I583 HydrophobicContact CB-CG2 3.99Å; M576-I583 HydrophobicContact CG-CG2 4.42Å; W577-I583 CarbonylContact O-C 3.49Å; W577-I583 WeakPolarHBondContact O-CA 3.35Å; K578-I583 HydrophobicContact CB-CD1 3.74Å; K578-I583 HydrophobicContact CD-CD1 4.16Å; K578-I583 HydrophobicContact CG-CD1 3.6Å; I583-Y601 CarbonylContact O-C 3.6Å; I583-Y601 WeakPolarHBondContact O-CA 3.37Å; I583-V602 PolarHBondContact N-O 2.64Å; I583-V602 PolarHBondContact O-N 2.85Å; I583-L604 HydrophobicContact CG1-CD1 4.04Å; I583-L604 HydrophobicContact CG1-CG 4.49Å
584	H	98.7	Very high	97.6	Very high	13 Å²	13	43 Å²	43	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	143	168.6	-63.7	-112.6	0	0	0	108.4	A482 P484 M576 W577 E579 R582 A600	A482-H584 PolarHBondContact O-ND1 2.84Å; P484-H584 HydrophobicContact CG-CB 4.33Å; M576-H584 CarbonylContact C-O 3.51Å; M576-H584 WeakPolarHBondContact CA-O 3.36Å; W577-H584 HydrophobicContact CB-CB 4.26Å; W577-H584 PolarHBondContact N-O 3.11Å; W577-H584 PolarHBondContact O-N 2.76Å; E579-H584 IonicContact OE2-NE2 3.11Å; R582-H584 WeakPolarHBondContact CD-NE2 2.9Å; H584-A600 WeakPolarHBondContact CA-O 3.44Å
585	F	98.7	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.1	176.7	76.6	-83.4	0	0	0	112.7	S539 I543 I558 A560 T574 E575 M576 I597 A600 V602	S539-F585 VanDerWaalsContact CB-CE2 3.48Å; I543-F585 HydrophobicContact CD1-CB 3.81Å; I543-F585 HydrophobicContact CD1-CD1 3.41Å; I543-F585 VanDerWaalsContact CD1-CD1 3.41Å; I543-F585 HydrophobicContact CD1-CD2 4.06Å; I543-F585 HydrophobicContact CD1-CE1 3.89Å; I543-F585 HydrophobicContact CD1-CE2 4.48Å; I543-F585 HydrophobicContact CD1-CG 3.5Å; I543-F585 VanDerWaalsContact CD1-CG 3.5Å; I543-F585 HydrophobicContact CD1-CZ 4.4Å; I558-F585 HydrophobicContact CD1-CE1 4.15Å; I558-F585 HydrophobicContact CD1-CZ 4.03Å; I558-F585 HydrophobicContact CG1-CE1 4.14Å; I558-F585 HydrophobicContact CG1-CZ 4.35Å; A560-F585 HydrophobicContact CB-CZ 4.37Å; T574-F585 HydrophobicContact CG2-CD2 4.29Å; E575-F585 CarbonylContact O-C 3.55Å; E575-F585 WeakPolarHBondContact O-CA 3.4Å; E575-F585 VanDerWaalsContact O-CB 3.3Å; E575-F585 WeakPolarHBondContact O-CB 3.46Å; M576-F585 HydrophobicContact CG-CB 4.28Å; F585-I597 HydrophobicContact CD2-CG2 4.4Å; F585-I597 HydrophobicContact CE2-CD1 4.45Å; F585-I597 HydrophobicContact CE2-CG2 3.7Å; F585-I597 HydrophobicContact CZ-CG2 4.22Å; F585-A600 HydrophobicContact CD1-CB 3.75Å; F585-A600 HydrophobicContact CD2-CB 4.12Å; F585-A600 HydrophobicContact CE1-CB 3.4Å; F585-A600 VanDerWaalsContact CE1-CB 3.4Å; F585-A600 HydrophobicContact CE2-CB 3.81Å; F585-A600 HydrophobicContact CG-CB 4.1Å; F585-A600 HydrophobicContact CZ-CB 3.44Å; F585-A600 VanDerWaalsContact CZ-CB 3.44Å; F585-A600 PolarHBondContact N-O 3.23Å; F585-A600 WeakPolarHBondContact O-CB 3.34Å; F585-A600 PolarHBondContact O-N 3.23Å; F585-V602 HydrophobicContact CD1-CG2 4.34Å; F585-V602 HydrophobicContact CE1-CG2 4.02Å
586	Q	98.5	Very high	97.6	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.9	162.5	70.7	178.4	21.2	0	0	109.1	I483 E575 W577 I597	I483-Q586 HydrophobicContact CG2-CB 4.16Å; I483-Q586 HydrophobicContact CG2-CG 4.47Å; E575-Q586 HydrophobicContact CB-CG 4.11Å; E575-Q586 PolarHBondContact N-O 2.93Å; E575-Q586 PolarHBondContact O-N 3.44Å; E575-Q586 PolarHBondContact OE2-NE2 3.08Å; W577-Q586 HydrophobicContact CH2-CG 3.91Å; W577-Q586 HydrophobicContact CZ3-CG 3.95Å; Q586-I597 WeakPolarHBondContact CA-O 3.44Å; Q586-I597 WeakPolarHBondContact CB-O 3.25Å
587	T	98.7	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.2	177.8	-49.3	0	0	0	0	108.5	T535 S539 L572 Q573 V596 I597	T535-T587 HydrophobicContact CG2-CG2 4.04Å; S539-T587 PolarHBondContact OG-OG1 2.67Å; L572-T587 HydrophobicContact CB-CG2 4.08Å; L572-T587 HydrophobicContact CD2-CG2 4.18Å; Q573-T587 WeakPolarHBondContact O-CA 3.13Å; T587-V596 HydrophobicContact CG2-CG2 4.16Å; T587-V596 WeakPolarHBondContact O-CG2 3.34Å; T587-V596 PolarHBondContact O-N 3.29Å; T587-I597 PolarHBondContact N-O 3.33Å; T587-I597 PolarHBondContact O-N 3.35Å; T587-I597 VanDerWaalsContact O-N 3.1Å
588	K	98.2	Very high	97.5	Very high	45 Å²	45	46.1 Å²	46.1	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	155.7	176.1	69.2	-173.4	-175.2	-164.4	0	112.1	Q573 E575 D594	Q573-K588 HydrophobicContact CB-CG 3.88Å; Q573-K588 HydrophobicContact CG-CG 4.4Å; Q573-K588 PolarHBondContact N-O 3.41Å; Q573-K588 PolarHBondContact O-N 3.2Å; E575-K588 VanDerWaalsContact OE1-CE 3.31Å; E575-K588 WeakPolarHBondContact OE1-CE 3.42Å; E575-K588 IonicContact OE1-NZ 2.73Å; E575-K588 PolarHBondContact OE1-NZ 3.19Å; K588-D594 CarbonylContact C-O 3.55Å; K588-D594 WeakPolarHBondContact CA-O 3.45Å; K588-D594 VanDerWaalsContact CB-O 3.29Å; K588-D594 WeakPolarHBondContact CB-O 3.48Å
589	V	98.3	Very high	97.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.5	166.1	172.2	0	0	0	0	107.2	V566 Q570 T571 E591 T592 G593 D594 V596	V566-V589 HydrophobicContact CG2-CG2 4.13Å; Q570-V589 HydrophobicContact CB-CG1 4.14Å; Q570-V589 HydrophobicContact CG-CG1 4.27Å; T571-V589 WeakPolarHBondContact O-CA 3.43Å; V589-E591 VanDerWaalsContact C-N 3.26Å; V589-E591 HydrophobicContact CG1-CB 4.35Å; V589-E591 VanDerWaalsContact CG1-OE2 3.26Å; V589-E591 WeakPolarHBondContact CG1-OE2 3.31Å; V589-E591 PolarHBondContact O-N 3.29Å; V589-T592 HydrophobicContact CG1-CG2 4.19Å; V589-T592 PolarHBondContact O-N 3.48Å; V589-G593 WeakPolarHBondContact O-CA 3.2Å; V589-G593 PolarHBondContact O-N 2.94Å; V589-D594 PolarHBondContact N-O 3.39Å; V589-V596 HydrophobicContact CG2-CG1 3.72Å
590	Q	97.4	Very high	97.6	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.8	-173.5	-174.2	174.7	6	0	0	111.7	T571 T592	T571-Q590 HydrophobicContact CG2-CB 4.3Å; T571-Q590 VanDerWaalsContact CG2-OE1 3.23Å; T571-Q590 PolarHBondContact O-N 3.37Å; Q590-T592 PolarHBondContact O-N 3.4Å
591	E	97.2	Very high	97.8	Very high	106 Å²	106	36.4 Å²	36.4	50%	0.495	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-32.2	-176.5	-61.2	84.2	173.3	0	0	113	T571 V589	T571-E591 WeakPolarHBondContact CB-OE1 3.44Å; T571-E591 PolarHBondContact N-OE1 3.43Å; T571-E591 PolarHBondContact N-OE2 3.4Å; T571-E591 VanDerWaalsContact N-OE2 3.12Å; T571-E591 PolarHBondContact OG1-OE1 2.88Å; V589-E591 VanDerWaalsContact C-N 3.26Å; V589-E591 HydrophobicContact CG1-CB 4.35Å; V589-E591 VanDerWaalsContact CG1-OE2 3.26Å; V589-E591 WeakPolarHBondContact CG1-OE2 3.31Å; V589-E591 PolarHBondContact O-N 3.29Å
592	T	96.1	Very high	97.9	Very high	75 Å²	75	33 Å²	33	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-17.7	-176.2	69.2	0	0	0	0	113.5	V589 Q590 D594	V589-T592 HydrophobicContact CG1-CG2 4.19Å; V589-T592 PolarHBondContact O-N 3.48Å; Q590-T592 PolarHBondContact O-N 3.4Å; T592-D594 WeakPolarHBondContact CB-OD2 3.41Å; T592-D594 PolarHBondContact O-N 3.35Å; T592-D594 VanDerWaalsContact OG1-CB 3.26Å; T592-D594 WeakPolarHBondContact OG1-CB 3.21Å; T592-D594 VanDerWaalsContact OG1-CG 3.23Å; T592-D594 PolarHBondContact OG1-N 3.04Å; T592-D594 PolarHBondContact OG1-OD2 3.29Å
593	G	96.1	Very high	97.9	Very high	46 Å²	46	31 Å²	31	47%	0.474	17%	0.17	S	C	.	.			trans	74.9	3.3	-170.7	0	0	0	0	0	114	V589 I595	V589-G593 WeakPolarHBondContact O-CA 3.2Å; V589-G593 PolarHBondContact O-N 2.94Å; G593-I595 PolarHBondContact O-N 2.66Å
594	D	97.6	Very high	97.9	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	17%	0.172	S	C	.	.			trans	-68.8	127.1	-177.5	-76.5	-46.8	0	0	0	112.1	K564 K588 V589 T592 V596	K564-D594 HydrophobicContact CD-CB 3.83Å; K564-D594 IonicContact NZ-OD1 3.64Å; K564-D594 PolarHBondContact NZ-OD1 3.09Å; K588-D594 CarbonylContact C-O 3.55Å; K588-D594 WeakPolarHBondContact CA-O 3.45Å; K588-D594 VanDerWaalsContact CB-O 3.29Å; K588-D594 WeakPolarHBondContact CB-O 3.48Å; V589-D594 PolarHBondContact N-O 3.39Å; T592-D594 WeakPolarHBondContact CB-OD2 3.41Å; T592-D594 PolarHBondContact O-N 3.35Å; T592-D594 VanDerWaalsContact OG1-CB 3.26Å; T592-D594 WeakPolarHBondContact OG1-CB 3.21Å; T592-D594 VanDerWaalsContact OG1-CG 3.23Å; T592-D594 PolarHBondContact OG1-N 3.04Å; T592-D594 PolarHBondContact OG1-OD2 3.29Å; D594-V596 PolarHBondContact O-N 3.05Å
595	I	98.1	Very high	97.6	Very high	66 Å²	66	32.2 Å²	32.2	34%	0.338	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116	171.1	-58.9	173	0	0	0	108.7	A563 G593 I597	A563-I595 WeakPolarHBondContact CB-O 3.34Å; G593-I595 PolarHBondContact O-N 2.66Å; I595-I597 VanDerWaalsContact CG2-O 3.26Å; I595-I597 WeakPolarHBondContact CG2-O 3.42Å
596	V	98	Very high	96.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-29.5	-177.9	-66.2	0	0	0	0	112.6	T535 A563 K564 V566 L572 T587 V589 D594	T535-V596 HydrophobicContact CG2-CG2 4.06Å; A563-V596 PolarHBondContact N-O 3.03Å; K564-V596 HydrophobicContact CB-CG1 3.98Å; V566-V596 HydrophobicContact CG2-CB 3.75Å; V566-V596 HydrophobicContact CG2-CG1 3.66Å; V566-V596 HydrophobicContact CG2-CG2 3.68Å; L572-V596 HydrophobicContact CD2-CG2 4.46Å; T587-V596 HydrophobicContact CG2-CG2 4.16Å; T587-V596 WeakPolarHBondContact O-CG2 3.34Å; T587-V596 PolarHBondContact O-N 3.29Å; V589-V596 HydrophobicContact CG2-CG1 3.72Å; D594-V596 PolarHBondContact O-N 3.05Å
597	I	98.4	Very high	95.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.1	165.1	-65.8	179.1	0	0	0	108.3	T535 F536 A560 R561 F562 F585 Q586 T587 I595 A600	T535-I597 HydrophobicContact CG2-CD1 3.77Å; T535-I597 HydrophobicContact CG2-CG1 4.15Å; F536-I597 HydrophobicContact CB-CD1 4.29Å; A560-I597 HydrophobicContact CB-CG2 3.83Å; R561-I597 WeakPolarHBondContact O-CA 3.42Å; F562-I597 HydrophobicContact CD1-CG1 4.2Å; F562-I597 HydrophobicContact CE1-CD1 4.37Å; F562-I597 HydrophobicContact CE1-CG1 4.45Å; F585-I597 HydrophobicContact CD2-CG2 4.4Å; F585-I597 HydrophobicContact CE2-CD1 4.45Å; F585-I597 HydrophobicContact CE2-CG2 3.7Å; F585-I597 HydrophobicContact CZ-CG2 4.22Å; Q586-I597 WeakPolarHBondContact CA-O 3.44Å; Q586-I597 WeakPolarHBondContact CB-O 3.25Å; T587-I597 PolarHBondContact N-O 3.33Å; T587-I597 PolarHBondContact O-N 3.35Å; T587-I597 VanDerWaalsContact O-N 3.1Å; I595-I597 VanDerWaalsContact CG2-O 3.26Å; I595-I597 WeakPolarHBondContact CG2-O 3.42Å; I597-A600 HydrophobicContact CG2-CB 3.66Å
598	S	97.3	Very high	92.7	Very high	20 Å²	20	43.9 Å²	43.9	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.4	179.9	63.9	0	0	0	0	111.1	R561 A600	R561-S598 WeakPolarHBondContact CB-O 3.27Å; R561-S598 PolarHBondContact N-O 3.12Å; R561-S598 VanDerWaalsContact N-O 3.11Å; R561-S598 PolarHBondContact O-N 2.68Å; S598-A600 VanDerWaalsContact C-N 3.28Å; S598-A600 PolarHBondContact O-N 3.05Å
599	N	97	Very high	89.5	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.7	47.1	174.6	-59	-29.7	0	0	0	113.4	A480 V481 A482	A480-N599 HydrophobicContact CB-CB 3.88Å; A480-N599 VanDerWaalsContact CB-O 3.31Å; A480-N599 WeakPolarHBondContact CB-O 3.04Å; V481-N599 PolarHBondContact N-O 3.38Å; V481-N599 VanDerWaalsContact N-O 3.15Å; V481-N599 CarbonylContact O-C 3.5Å; V481-N599 WeakPolarHBondContact O-CA 3.43Å; A482-N599 WeakPolarHBondContact CA-OD1 3.21Å
600	A	98.3	Very high	86.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.5	-168.5	0	0	0	0	0	112.3	V481 K559 A560 H584 F585 I597 S598	V481-A600 PolarHBondContact O-N 3.29Å; K559-A600 CarbonylContact O-C 3.5Å; K559-A600 WeakPolarHBondContact O-CA 3.3Å; K559-A600 VanDerWaalsContact O-CB 3.22Å; K559-A600 WeakPolarHBondContact O-CB 3.36Å; A560-A600 HydrophobicContact CB-CB 3.89Å; H584-A600 WeakPolarHBondContact CA-O 3.44Å; F585-A600 HydrophobicContact CD1-CB 3.75Å; F585-A600 HydrophobicContact CD2-CB 4.12Å; F585-A600 HydrophobicContact CE1-CB 3.4Å; F585-A600 VanDerWaalsContact CE1-CB 3.4Å; F585-A600 HydrophobicContact CE2-CB 3.81Å; F585-A600 HydrophobicContact CG-CB 4.1Å; F585-A600 HydrophobicContact CZ-CB 3.44Å; F585-A600 VanDerWaalsContact CZ-CB 3.44Å; F585-A600 PolarHBondContact N-O 3.23Å; F585-A600 WeakPolarHBondContact O-CB 3.34Å; F585-A600 PolarHBondContact O-N 3.23Å; I597-A600 HydrophobicContact CG2-CB 3.66Å; S598-A600 VanDerWaalsContact C-N 3.28Å; S598-A600 PolarHBondContact O-N 3.05Å
601	Y	98.6	Very high	83.1	Confident	13 Å²	13	54.1 Å²	54.1	5%	0.051	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.5	173.3	65.9	-96.2	0	0	0	112	V479 V481 I558 K559 R582 I583 D603	V479-Y601 WeakPolarHBondContact O-CE1 3.3Å; V481-Y601 HydrophobicContact CB-CD1 4.18Å; V481-Y601 HydrophobicContact CG2-CD1 3.96Å; V481-Y601 HydrophobicContact CG2-CE1 3.9Å; I558-Y601 CarbonylContact C-O 3.59Å; I558-Y601 VanDerWaalsContact CA-O 3.28Å; I558-Y601 WeakPolarHBondContact CA-O 3.26Å; I558-Y601 WeakPolarHBondContact CG1-O 3.43Å; K559-Y601 HydrophobicContact CB-CD1 3.9Å; K559-Y601 HydrophobicContact CB-CE1 3.39Å; K559-Y601 HydrophobicContact CB-CE2 4.07Å; K559-Y601 HydrophobicContact CB-CG 4.43Å; K559-Y601 VanDerWaalsContact CB-CZ 3.47Å; K559-Y601 HydrophobicContact CG-CE1 3.88Å; K559-Y601 PolarHBondContact N-O 2.73Å; K559-Y601 PolarHBondContact O-N 3.23Å; R582-Y601 HydrophobicContact CG-CD2 4.26Å; R582-Y601 HydrophobicContact CG-CG 4.23Å; I583-Y601 CarbonylContact O-C 3.6Å; I583-Y601 WeakPolarHBondContact O-CA 3.37Å; Y601-D603 WeakPolarHBondContact CE2-OD2 3.12Å
602	V	98.7	Very high	80	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128	163.9	174.1	0	0	0	0	108.3	I543 F555 A557 I558 R582 I583 F585 L604	I543-V602 HydrophobicContact CB-CG2 4.39Å; I543-V602 HydrophobicContact CD1-CB 4.4Å; I543-V602 HydrophobicContact CD1-CG2 3.59Å; I543-V602 HydrophobicContact CG2-CB 3.9Å; I543-V602 HydrophobicContact CG2-CG1 4.09Å; I543-V602 HydrophobicContact CG2-CG2 4.01Å; F555-V602 HydrophobicContact CD2-CG1 4.13Å; F555-V602 HydrophobicContact CE2-CG1 4.06Å; A557-V602 CarbonylContact O-C 3.48Å; A557-V602 VanDerWaalsContact O-CA 3.3Å; A557-V602 WeakPolarHBondContact O-CA 3.49Å; I558-V602 HydrophobicContact CB-CG2 4.07Å; I558-V602 HydrophobicContact CD1-CG2 3.7Å; I558-V602 HydrophobicContact CG1-CG2 3.73Å; R582-V602 CarbonylContact C-O 3.52Å; R582-V602 WeakPolarHBondContact CA-O 3.39Å; I583-V602 PolarHBondContact N-O 2.64Å; I583-V602 PolarHBondContact O-N 2.85Å; F585-V602 HydrophobicContact CD1-CG2 4.34Å; F585-V602 HydrophobicContact CE1-CG2 4.02Å; V602-L604 HydrophobicContact CG1-CD2 3.79Å; V602-L604 HydrophobicContact CG1-CG 4.28Å
603	D	98.3	Very high	76.6	Confident	30 Å²	30	58.3 Å²	58.3	16%	0.16	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.9	167.6	-73.5	-31.2	0	0	0	109.7	K556 A557 R582 Y601	K556-D603 WeakPolarHBondContact CA-O 3.18Å; K556-D603 HydrophobicContact CB-CB 4.28Å; K556-D603 WeakPolarHBondContact CB-O 3.22Å; K556-D603 PolarHBondContact N-O 3.31Å; A557-D603 HydrophobicContact CB-CB 4.33Å; A557-D603 PolarHBondContact N-O 3.1Å; A557-D603 PolarHBondContact O-N 3.36Å; R582-D603 WeakPolarHBondContact CB-OD1 3.36Å; R582-D603 WeakPolarHBondContact CG-OD1 3.2Å; R582-D603 IonicContact CZ-OD1 3.74Å; R582-D603 IonicContact CZ-OD2 2.71Å; R582-D603 IonicContact NE-OD1 2.76Å; R582-D603 PolarHBondContact NE-OD1 3.26Å; R582-D603 IonicContact NE-OD2 3.26Å; R582-D603 IonicContact NH2-OD1 2.64Å; R582-D603 PolarHBondContact NH2-OD1 2.74Å; R582-D603 IonicContact NH2-OD2 3.68Å; R582-D603 PolarHBondContact NH2-OD2 2.81Å; Y601-D603 WeakPolarHBondContact CE2-OD2 3.12Å
604	L	97.4	Very high	73.3	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.8	172.9	-59.5	177.9	0	0	0	110.5	L544 F547 A548 R554 N581 I583 V602	L544-L604 HydrophobicContact CD2-CD2 4.31Å; F547-L604 HydrophobicContact CB-CD1 3.79Å; A548-L604 HydrophobicContact CB-CD1 4.28Å; A548-L604 HydrophobicContact CB-CD2 4.31Å; R554-L604 CarbonylContact O-C 3.58Å; R554-L604 WeakPolarHBondContact O-CA 3.09Å; N581-L604 WeakPolarHBondContact CB-O 3.46Å; N581-L604 PolarHBondContact O-N 2.91Å; I583-L604 HydrophobicContact CG1-CD1 4.04Å; I583-L604 HydrophobicContact CG1-CG 4.49Å; V602-L604 HydrophobicContact CG1-CD2 3.79Å; V602-L604 HydrophobicContact CG1-CG 4.28Å
605	A	93.1	Very high	70	Confident	31 Å²	31	64.8 Å²	64.8	26%	0.256	39%	0.393	S	S	.	.			trans	-66	146.3	167.1	0	0	0	0	0	109.7	R554 T607	R554-A605 PolarHBondContact O-N 3.29Å; A605-T607 PolarHBondContact O-N 3.11Å
606	P	82.2	Confident	66.6	Low	91 Å²	91	66.5 Å²	66.5	59%	0.591	41%	0.411	S	S	*	.			trans	-55.4	142.7	174.3	-14.4	24.4	0	0	0	109.9	S608	P606-S608 PolarHBondContact O-N 3.48Å; P606-S608 VanDerWaalsContact O-N 3.13Å
607	T	64.3	Low	63.5	Low	87 Å²	87	76 Å²	76	53%	0.534	46%	0.455	S	S	.	.			trans	-61.3	115.8	160.7	46	0	0	0	0	106.9	A605 D609	A605-T607 PolarHBondContact O-N 3.11Å; T607-D609 PolarHBondContact O-N 2.9Å
608	S	45.7	Very low	60.4	Low	88 Å²	88	78.8 Å²	78.8	62%	0.615	48%	0.484	S	S	*	.			trans	-56.7	129.1	163.3	51.6	0	0	0	0	106.9	P606 T610	P606-S608 PolarHBondContact O-N 3.48Å; P606-S608 VanDerWaalsContact O-N 3.13Å; S608-T610 PolarHBondContact O-N 3.37Å; S608-T610 PolarHBondContact O-OG1 2.86Å; S608-T610 PolarHBondContact OG-OG1 2.92Å; S608-T610 VanDerWaalsContact OG-OG1 3.11Å
609	D	32.3	Very low	58	Low	165 Å²	165	81.8 Å²	81.8	88%	0.882	52%	0.518	S	S	*	.	S	Bend	trans	-67	42.8	171.4	-87.5	-30.7	0	0	0	112	T607 S611	T607-D609 PolarHBondContact O-N 2.9Å; D609-S611 PolarHBondContact O-N 3.28Å
610	T	32.2	Very low	56.2	Low	111 Å²	111	87.7 Å²	87.7	68%	0.681	54%	0.541	S	S	*	.			trans	-80.8	84.4	144.6	38.5	0	0	0	0	106	S608 A612	S608-T610 PolarHBondContact O-N 3.37Å; S608-T610 PolarHBondContact O-OG1 2.86Å; S608-T610 PolarHBondContact OG-OG1 2.92Å; S608-T610 VanDerWaalsContact OG-OG1 3.11Å; T610-A612 PolarHBondContact O-N 3.27Å
611	S	28.1	Very low	55.2	Low	89 Å²	89	88.5 Å²	88.5	62%	0.622	55%	0.545	S	S	*	.			trans	-37.4	105	160.8	167.5	0	0	0	0	108.9	D609 K613	D609-S611 PolarHBondContact O-N 3.28Å; S611-K613 PolarHBondContact O-N 2.87Å; S611-K613 PolarHBondContact OG-N 3.27Å
612	A	31.4	Very low	54.3	Low	95 Å²	95	93.5 Å²	93.5	79%	0.785	57%	0.569	S	S	*	*			trans	-65.8	80.9	154.5	0	0	0	0	0	105.3	T610 T614	T610-A612 PolarHBondContact O-N 3.27Å; A612-T614 VanDerWaalsContact C-N 3.34Å; A612-T614 PolarHBondContact O-N 3.15Å
613	K	25.5	Very low	53.6	Low	174 Å²	174	93.5 Å²	93.5	76%	0.757	57%	0.569	S	S	*	*			trans	-55	110.4	155.3	-78.4	-174.5	176.7	179.6	0	104.7	S611 P615	S611-K613 PolarHBondContact O-N 2.87Å; S611-K613 PolarHBondContact OG-N 3.27Å; K613-P615 WeakPolarHBondContact O-CD 3.41Å; K613-P615 VanDerWaalsContact O-N 3.1Å
614	T	26.5	Very low	53	Low	126 Å²	126	92.9 Å²	92.9	77%	0.773	57%	0.567	S	S	*	*			trans	-44.8	117.3	149.8	-31.1	0	0	0	0	105.9	A612 S616	A612-T614 VanDerWaalsContact C-N 3.34Å; A612-T614 PolarHBondContact O-N 3.15Å; T614-S616 PolarHBondContact O-N 3.4Å
615	P	27.7	Very low	52.1	Low	112 Å²	112	98.4 Å²	98.4	73%	0.727	60%	0.595	S	S	*	*			trans	-71.5	97.7	162.4	-6	24.3	0	0	0	104.5	K613 E617	K613-P615 WeakPolarHBondContact O-CD 3.41Å; K613-P615 VanDerWaalsContact O-N 3.1Å; P615-E617 PolarHBondContact O-N 3.34Å
616	S	26.7	Very low	51.6	Low	102 Å²	102	97.5 Å²	97.5	71%	0.713	59%	0.587	S	S	*	*			trans	-42.4	132.7	145.4	54	0	0	0	0	108.3	T614 G618	T614-S616 PolarHBondContact O-N 3.4Å; S616-G618 PolarHBondContact O-N 2.72Å
617	E	33	Very low	51.9	Low	203 Å²	203	93.2 Å²	93.2	95%	0.949	56%	0.559	S	S	*	*	S	Bend	trans	-6.8	103	166.7	-67.2	177.6	141.8	0	0	115.1	P615	P615-E617 PolarHBondContact O-N 3.34Å
618	G	33.2	Very low	52.8	Low	59 Å²	59	93.8 Å²	93.8	61%	0.608	56%	0.555	S	S	*	*			trans	178.1	95	174.8	0	0	0	0	0	110.1	S616 K620	S616-G618 PolarHBondContact O-N 2.72Å; G618-K620 PolarHBondContact O-N 2.93Å
619	G	47	Very low	54.5	Low	83 Å²	83	91.4 Å²	91.4	86%	0.856	53%	0.534	S	S	*	.			trans	-54.1	102.2	-168.3	0	0	0	0	0	115.6
620	K	59.3	Low	56.8	Low	174 Å²	174	84.6 Å²	84.6	76%	0.757	50%	0.498	S	S	*	.			trans	-103.8	134.7	158.7	-85.9	-174.3	173.8	-173.3	0	110.1	G618	G618-K620 PolarHBondContact O-N 2.93Å
621	L	78	Confident	59.3	Low	17 Å²	17	80.2 Å²	80.2	9%	0.089	47%	0.474	C	S	.	.			trans	-76.7	136.4	177.1	-63.6	179	0	0	0	110.1	S623 T624 I653 K655 A661 D691	L621-S623 PolarHBondContact O-N 3.04Å; L621-T624 WeakPolarHBondContact O-CB 3.31Å; L621-T624 PolarHBondContact O-N 2.79Å; L621-T624 VanDerWaalsContact O-N 3.07Å; L621-T624 PolarHBondContact O-OG1 3.26Å; L621-I653 HydrophobicContact CD1-CB 4.04Å; L621-I653 HydrophobicContact CD1-CG2 3.85Å; L621-K655 HydrophobicContact CD2-CB 3.7Å; L621-K655 HydrophobicContact CD2-CD 3.47Å; L621-K655 VanDerWaalsContact CD2-CD 3.47Å; L621-K655 HydrophobicContact CD2-CG 4.22Å; L621-A661 HydrophobicContact CD1-CB 3.56Å; L621-D691 VanDerWaalsContact CA-OD2 3.28Å; L621-D691 WeakPolarHBondContact CA-OD2 3.19Å; L621-D691 WeakPolarHBondContact CB-OD1 3.42Å; L621-D691 HydrophobicContact CD2-CB 4Å
622	Q	80.6	Confident	61.7	Low	118 Å²	118	82.4 Å²	82.4	55%	0.551	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.5	179.3	-65.9	-166	-34.4	0	0	112	T624 L625 D691 M695	Q622-T624 PolarHBondContact O-N 3.44Å; Q622-T624 VanDerWaalsContact O-N 3.1Å; Q622-L625 PolarHBondContact O-N 3.33Å; Q622-D691 PolarHBondContact N-OD1 2.85Å; Q622-D691 PolarHBondContact N-OD2 2.82Å; Q622-M695 HydrophobicContact CB-CG 3.8Å; Q622-M695 HydrophobicContact CB-SD 4.05Å
623	S	82.3	Confident	63.9	Low	0 Å²	0	81.5 Å²	81.5	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-54.4	-26	173.4	53.5	0	0	0	0	114.2	L621 L625 V626 F627 I653 D691	L621-S623 PolarHBondContact O-N 3.04Å; S623-L625 VanDerWaalsContact C-N 3.3Å; S623-L625 PolarHBondContact O-N 3.24Å; S623-V626 PolarHBondContact O-N 2.79Å; S623-V626 VanDerWaalsContact O-N 3.13Å; S623-F627 WeakPolarHBondContact O-CD2 3.18Å; S623-F627 PolarHBondContact O-N 2.93Å; S623-F627 VanDerWaalsContact O-N 3.07Å; S623-I653 WeakPolarHBondContact OG-CG2 3.41Å; S623-D691 WeakPolarHBondContact CB-OD1 3.31Å; S623-D691 PolarHBondContact N-OD1 3.1Å; S623-D691 PolarHBondContact OG-OD1 3.21Å
624	T	86	Confident	66.5	Low	18 Å²	18	73.7 Å²	73.7	11%	0.11	41%	0.412	C	S	.	.	H	α-helix	trans	-54.6	-45.8	178.9	-55.5	0	0	0	0	111.8	L621 Q622 V626 F627 E628 W663	L621-T624 WeakPolarHBondContact O-CB 3.31Å; L621-T624 PolarHBondContact O-N 2.79Å; L621-T624 VanDerWaalsContact O-N 3.07Å; L621-T624 PolarHBondContact O-OG1 3.26Å; Q622-T624 PolarHBondContact O-N 3.44Å; Q622-T624 VanDerWaalsContact O-N 3.1Å; T624-V626 VanDerWaalsContact C-N 3.28Å; T624-V626 PolarHBondContact O-N 2.68Å; T624-F627 PolarHBondContact O-N 3.44Å; T624-E628 WeakPolarHBondContact O-CG 3.36Å; T624-E628 PolarHBondContact O-N 2.9Å; T624-W663 HydrophobicContact CG2-CH2 4.32Å; T624-W663 HydrophobicContact CG2-CZ2 3.85Å
625	L	79.8	Confident	69.1	Low	123 Å²	123	75.6 Å²	75.6	64%	0.644	41%	0.41	S	S	*	.	H	α-helix	trans	-64.7	-35.6	-178.3	-66	172.6	0	0	0	111.7	Q622 S623 E629	Q622-L625 PolarHBondContact O-N 3.33Å; S623-L625 VanDerWaalsContact C-N 3.3Å; S623-L625 PolarHBondContact O-N 3.24Å; L625-E629 WeakPolarHBondContact O-CB 3.17Å; L625-E629 PolarHBondContact O-N 3.43Å
626	V	82.4	Confident	71.5	Confident	12 Å²	12	76.6 Å²	76.6	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-70.1	-43.1	179	-177.5	0	0	0	0	110.9	S623 T624 E628 E629 I630 F694 M695 V698	S623-V626 PolarHBondContact O-N 2.79Å; S623-V626 VanDerWaalsContact O-N 3.13Å; T624-V626 VanDerWaalsContact C-N 3.28Å; T624-V626 PolarHBondContact O-N 2.68Å; V626-E628 VanDerWaalsContact C-N 3.35Å; V626-E628 PolarHBondContact O-N 3.24Å; V626-E629 WeakPolarHBondContact O-CB 3.21Å; V626-E629 PolarHBondContact O-N 3.25Å; V626-I630 HydrophobicContact CG1-CD1 4.03Å; V626-I630 VanDerWaalsContact O-CG1 3.28Å; V626-I630 WeakPolarHBondContact O-CG1 3.45Å; V626-I630 PolarHBondContact O-N 3.34Å; V626-F694 HydrophobicContact CB-CE1 3.79Å; V626-F694 HydrophobicContact CB-CZ 4.28Å; V626-F694 HydrophobicContact CG1-CE1 3.89Å; V626-F694 HydrophobicContact CG1-CZ 3.99Å; V626-F694 HydrophobicContact CG2-CE1 4.09Å; V626-M695 HydrophobicContact CG2-CE 3.99Å; V626-M695 HydrophobicContact CG2-SD 3.68Å; V626-V698 HydrophobicContact CG1-CG1 4.1Å; V626-V698 HydrophobicContact CG1-CG2 4.05Å; V626-V698 HydrophobicContact CG2-CG1 4.4Å
627	F	87.6	Confident	74	Confident	1 Å²	1	73.6 Å²	73.6	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-37.9	176.9	-75.3	-69.5	0	0	0	112.4	S623 T624 I630 G631 W651 I653 W663 I665 V674 F694	S623-F627 WeakPolarHBondContact O-CD2 3.18Å; S623-F627 PolarHBondContact O-N 2.93Å; S623-F627 VanDerWaalsContact O-N 3.07Å; T624-F627 PolarHBondContact O-N 3.44Å; F627-I630 PolarHBondContact O-N 2.82Å; F627-G631 PolarHBondContact O-N 2.9Å; F627-W651 HydrophobicContact CE1-CB 4.13Å; F627-W651 AromaticContact CE1-CD1 3.71Å; F627-W651 HydrophobicContact CE1-CD2 4.16Å; F627-W651 AromaticContact CE1-CG 3.74Å; F627-W651 HydrophobicContact CE1-CG 3.74Å; F627-W651 HydrophobicContact CZ-CB 3.64Å; F627-W651 AromaticContact CZ-CD2 3.92Å; F627-W651 HydrophobicContact CZ-CD2 3.92Å; F627-W651 HydrophobicContact CZ-CE3 4.37Å; F627-W651 AromaticContact CZ-CG 3.59Å; F627-W651 HydrophobicContact CZ-CG 3.59Å; F627-I653 HydrophobicContact CE2-CD1 3.97Å; F627-I653 HydrophobicContact CE2-CG1 3.93Å; F627-I653 HydrophobicContact CZ-CD1 4.26Å; F627-W663 HydrophobicContact CB-CD2 3.61Å; F627-W663 HydrophobicContact CB-CE3 3.52Å; F627-W663 HydrophobicContact CB-CG 4.16Å; F627-W663 HydrophobicContact CB-CH2 4.19Å; F627-W663 HydrophobicContact CB-CZ2 4.3Å; F627-W663 HydrophobicContact CB-CZ3 3.81Å; F627-W663 HydrophobicContact CD1-CB 3.81Å; F627-W663 HydrophobicContact CD1-CD2 4.32Å; F627-W663 HydrophobicContact CD1-CE3 4.5Å; F627-W663 HydrophobicContact CD1-CG 4.04Å; F627-W663 HydrophobicContact CD2-CB 4.01Å; F627-W663 AromaticContact CD2-CD1 3.42Å; F627-W663 VanDerWaalsContact CD2-CD1 3.42Å; F627-W663 AromaticContact CD2-CD2 3.75Å; F627-W663 HydrophobicContact CD2-CD2 3.75Å; F627-W663 AromaticContact CD2-CE2 3.92Å; F627-W663 AromaticContact CD2-CG 3.46Å; F627-W663 HydrophobicContact CD2-CG 3.46Å; F627-W663 VanDerWaalsContact CD2-CG 3.46Å; F627-W663 AromaticContact CD2-NE1 3.68Å; F627-W663 HydrophobicContact CE1-CB 3.8Å; F627-W663 HydrophobicContact CE1-CG 4.32Å; F627-W663 HydrophobicContact CE2-CB 4.02Å; F627-W663 AromaticContact CE2-CD1 3.59Å; F627-W663 AromaticContact CE2-CG 3.8Å; F627-W663 HydrophobicContact CE2-CG 3.8Å; F627-W663 HydrophobicContact CG-CB 3.93Å; F627-W663 AromaticContact CG-CD2 3.64Å; F627-W663 HydrophobicContact CG-CD2 3.64Å; F627-W663 AromaticContact CG-CE3 3.96Å; F627-W663 HydrophobicContact CG-CE3 3.96Å; F627-W663 AromaticContact CG-CG 3.61Å; F627-W663 HydrophobicContact CG-CG 3.61Å; F627-W663 HydrophobicContact CZ-CB 3.92Å; F627-W663 HydrophobicContact CZ-CG 4.22Å; F627-I665 HydrophobicContact CD1-CD1 4.33Å; F627-I665 HydrophobicContact CD1-CG1 4.38Å; F627-I665 HydrophobicContact CE1-CD1 4.1Å; F627-I665 HydrophobicContact CE1-CG1 4.3Å; F627-V674 HydrophobicContact CB-CG1 4.09Å; F627-V674 HydrophobicContact CD1-CG1 4.22Å; F627-V674 WeakPolarHBondContact O-CG1 3.41Å; F627-F694 HydrophobicContact CD2-CZ 4.27Å; F627-F694 HydrophobicContact CE1-CE2 4.39Å; F627-F694 HydrophobicContact CE1-CZ 4.28Å; F627-F694 HydrophobicContact CE2-CE1 4.14Å; F627-F694 AromaticContact CE2-CE2 3.92Å; F627-F694 HydrophobicContact CE2-CE2 3.92Å; F627-F694 AromaticContact CE2-CZ 3.62Å; F627-F694 HydrophobicContact CE2-CZ 3.62Å; F627-F694 HydrophobicContact CZ-CD2 4.5Å; F627-F694 AromaticContact CZ-CE2 3.59Å; F627-F694 HydrophobicContact CZ-CE2 3.59Å; F627-F694 AromaticContact CZ-CZ 3.62Å; F627-F694 HydrophobicContact CZ-CZ 3.62Å
628	E	84.4	Confident	76.3	Confident	100 Å²	100	64 Å²	64	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-40.7	173.3	-72.4	176.5	176.9	0	0	111.9	T624 V626 G631 R632 W663	T624-E628 WeakPolarHBondContact O-CG 3.36Å; T624-E628 PolarHBondContact O-N 2.9Å; V626-E628 VanDerWaalsContact C-N 3.35Å; V626-E628 PolarHBondContact O-N 3.24Å; E628-G631 PolarHBondContact O-N 3.03Å; E628-R632 PolarHBondContact O-N 3.24Å; E628-W663 HydrophobicContact CG-CH2 4.33Å
629	E	79.9	Confident	78.8	Confident	37 Å²	37	65 Å²	65	17%	0.173	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-47.5	175.1	-175.9	62.3	-148.9	0	0	112.3	L625 V626 G631 R632 R633 L735	L625-E629 WeakPolarHBondContact O-CB 3.17Å; L625-E629 PolarHBondContact O-N 3.43Å; V626-E629 WeakPolarHBondContact O-CB 3.21Å; V626-E629 PolarHBondContact O-N 3.25Å; E629-G631 VanDerWaalsContact C-N 3.25Å; E629-G631 PolarHBondContact O-N 3.27Å; E629-R632 VanDerWaalsContact CD-NH1 3.29Å; E629-R632 WeakPolarHBondContact O-CB 3.34Å; E629-R632 PolarHBondContact O-N 3.41Å; E629-R632 IonicContact OE1-NH1 3.53Å; E629-R632 PolarHBondContact OE1-NH1 2.92Å; E629-R632 IonicContact OE2-CZ 3.56Å; E629-R632 IonicContact OE2-NH1 3.47Å; E629-R632 PolarHBondContact OE2-NH1 2.82Å; E629-R632 IonicContact OE2-NH2 2.73Å; E629-R632 PolarHBondContact OE2-NH2 2.84Å; E629-R632 VanDerWaalsContact OE2-NH2 3.08Å; E629-R633 PolarHBondContact O-N 2.79Å; E629-R633 IonicContact OE1-CZ 3.48Å; E629-R633 IonicContact OE1-NE 2.78Å; E629-R633 PolarHBondContact OE1-NE 2.79Å; E629-R633 VanDerWaalsContact OE1-NE 3.13Å; E629-R633 IonicContact OE1-NH2 3.56Å; E629-L735 HydrophobicContact CG-CD2 4.22Å
630	I	82.1	Confident	80.4	Confident	23 Å²	23	66.5 Å²	66.5	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-43.1	176	-65.7	165.5	0	0	0	109.7	V626 F627 R632 R633 L634 I665 V674 L729	V626-I630 HydrophobicContact CG1-CD1 4.03Å; V626-I630 VanDerWaalsContact O-CG1 3.28Å; V626-I630 WeakPolarHBondContact O-CG1 3.45Å; V626-I630 PolarHBondContact O-N 3.34Å; F627-I630 PolarHBondContact O-N 2.82Å; I630-R632 VanDerWaalsContact C-N 3.3Å; I630-R632 PolarHBondContact O-N 3.27Å; I630-R633 PolarHBondContact O-N 3.15Å; I630-L634 HydrophobicContact CG2-CD1 4.02Å; I630-L634 HydrophobicContact CG2-CG 4.38Å; I630-L634 WeakPolarHBondContact O-CG 3.38Å; I630-L634 PolarHBondContact O-N 2.93Å; I630-I665 HydrophobicContact CD1-CD1 4.42Å; I630-I665 HydrophobicContact CG2-CD1 4.39Å; I630-V674 HydrophobicContact CB-CG2 4.27Å; I630-V674 HydrophobicContact CG2-CG2 3.78Å; I630-L729 HydrophobicContact CG1-CD2 4.48Å; I630-L729 HydrophobicContact CG2-CD2 4.31Å
631	G	83.1	Confident	81.5	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-36.6	175.6	0	0	0	0	0	113.3	F627 E628 E629	F627-G631 PolarHBondContact O-N 2.9Å; E628-G631 PolarHBondContact O-N 3.03Å; E629-G631 VanDerWaalsContact C-N 3.25Å; E629-G631 PolarHBondContact O-N 3.27Å
632	R	79.3	Confident	81.9	Confident	136 Å²	136	58.6 Å²	58.6	51%	0.513	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-50.1	175.2	-161.7	-174.1	-47.3	119	16.8	111.4	E628 E629 I630 L634 K635	E628-R632 PolarHBondContact O-N 3.24Å; E629-R632 VanDerWaalsContact CD-NH1 3.29Å; E629-R632 WeakPolarHBondContact O-CB 3.34Å; E629-R632 PolarHBondContact O-N 3.41Å; E629-R632 IonicContact OE1-NH1 3.53Å; E629-R632 PolarHBondContact OE1-NH1 2.92Å; E629-R632 IonicContact OE2-CZ 3.56Å; E629-R632 IonicContact OE2-NH1 3.47Å; E629-R632 PolarHBondContact OE2-NH1 2.82Å; E629-R632 IonicContact OE2-NH2 2.73Å; E629-R632 PolarHBondContact OE2-NH2 2.84Å; E629-R632 VanDerWaalsContact OE2-NH2 3.08Å; I630-R632 VanDerWaalsContact C-N 3.3Å; I630-R632 PolarHBondContact O-N 3.27Å; R632-L634 VanDerWaalsContact C-N 3.3Å; R632-L634 PolarHBondContact O-N 3.1Å; R632-K635 VanDerWaalsContact O-CB 3.29Å; R632-K635 WeakPolarHBondContact O-CB 3.4Å; R632-K635 PolarHBondContact O-N 2.95Å
633	R	78.3	Confident	82.1	Confident	75 Å²	75	61.9 Å²	61.9	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-33.6	-178.1	-67.3	-171.3	-176.6	-155.9	0.1	112.8	E629 I630 K635 D636 V637 Y732 K734	E629-R633 PolarHBondContact O-N 2.79Å; E629-R633 IonicContact OE1-CZ 3.48Å; E629-R633 IonicContact OE1-NE 2.78Å; E629-R633 PolarHBondContact OE1-NE 2.79Å; E629-R633 VanDerWaalsContact OE1-NE 3.13Å; E629-R633 IonicContact OE1-NH2 3.56Å; I630-R633 PolarHBondContact O-N 3.15Å; R633-K635 PolarHBondContact O-N 3.14Å; R633-K635 VanDerWaalsContact O-N 3.17Å; R633-D636 PolarHBondContact O-N 3.16Å; R633-V637 WeakPolarHBondContact O-CG2 3.43Å; R633-V637 PolarHBondContact O-N 3.36Å; R633-V637 VanDerWaalsContact O-N 3.14Å; R633-Y732 PolarHBondContact NH1-O 3.02Å; R633-K734 PolarHBondContact NH1-O 3.13Å; R633-K734 PolarHBondContact NH2-O 3.31Å; R633-K734 VanDerWaalsContact NH2-O 3.14Å
634	L	80	Confident	82.1	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-15.9	175.2	-76	173.8	0	0	0	113.6	I630 R632 D636 G638 V641 I665 L667 V674	I630-L634 HydrophobicContact CG2-CD1 4.02Å; I630-L634 HydrophobicContact CG2-CG 4.38Å; I630-L634 WeakPolarHBondContact O-CG 3.38Å; I630-L634 PolarHBondContact O-N 2.93Å; R632-L634 VanDerWaalsContact C-N 3.3Å; R632-L634 PolarHBondContact O-N 3.1Å; L634-D636 VanDerWaalsContact C-N 3.26Å; L634-D636 PolarHBondContact O-N 3.28Å; L634-G638 WeakPolarHBondContact O-CA 3.2Å; L634-G638 PolarHBondContact O-N 3.34Å; L634-V641 HydrophobicContact CD2-CB 4.14Å; L634-V641 HydrophobicContact CD2-CG1 3.99Å; L634-V641 HydrophobicContact CD2-CG2 4.41Å; L634-I665 HydrophobicContact CD1-CG2 4.21Å; L634-L667 HydrophobicContact CD1-CD2 3.71Å; L634-L667 HydrophobicContact CD2-CD2 3.68Å; L634-L667 HydrophobicContact CG-CD2 4.38Å; L634-V674 HydrophobicContact CD1-CG2 3.84Å
635	K	80.3	Confident	82.2	Confident	166 Å²	166	66.7 Å²	66.7	72%	0.722	32%	0.321	S	S	*	.	H	α-helix	trans	-66.7	-32	169.9	-63.3	-177.9	178.5	-179.3	0	112.1	R632 R633	R632-K635 VanDerWaalsContact O-CB 3.29Å; R632-K635 WeakPolarHBondContact O-CB 3.4Å; R632-K635 PolarHBondContact O-N 2.95Å; R633-K635 PolarHBondContact O-N 3.14Å; R633-K635 VanDerWaalsContact O-N 3.17Å
636	D	77.8	Confident	82.7	Confident	132 Å²	132	65.6 Å²	65.6	71%	0.706	32%	0.316	S	S	*	.	H	α-helix	trans	-92.7	-42	-173.8	-54.7	-39.7	0	0	0	112	R633 L634	R633-D636 PolarHBondContact O-N 3.16Å; L634-D636 VanDerWaalsContact C-N 3.26Å; L634-D636 PolarHBondContact O-N 3.28Å
637	V	80.6	Confident	83.1	Confident	40 Å²	40	65 Å²	65	24%	0.242	31%	0.312	C	S	.	.	H	α-helix	trans	-111.4	3.7	-174.6	-59.5	0	0	0	0	114.2	R633 E640 V641 Y732	R633-V637 WeakPolarHBondContact O-CG2 3.43Å; R633-V637 PolarHBondContact O-N 3.36Å; R633-V637 VanDerWaalsContact O-N 3.14Å; V637-E640 PolarHBondContact O-N 3.14Å; V637-V641 HydrophobicContact CB-CG2 4.43Å; V637-V641 HydrophobicContact CG2-CG2 3.99Å; V637-V641 WeakPolarHBondContact O-CG2 3.36Å; V637-V641 PolarHBondContact O-N 3.47Å; V637-Y732 HydrophobicContact CG1-CD1 4.36Å; V637-Y732 HydrophobicContact CG1-CE1 4.29Å; V637-Y732 HydrophobicContact CG2-CD1 4.44Å
638	G	81.4	Confident	83.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-51.1	-51.5	-170.9	0	0	0	0	0	116.9	L634 E640 V641 V642 S671	L634-G638 WeakPolarHBondContact O-CA 3.2Å; L634-G638 PolarHBondContact O-N 3.34Å; G638-E640 VanDerWaalsContact C-N 3.3Å; G638-E640 PolarHBondContact O-N 3.01Å; G638-V641 PolarHBondContact O-N 3.4Å; G638-V642 VanDerWaalsContact O-CG2 3.31Å; G638-V642 WeakPolarHBondContact O-CG2 3.48Å; G638-V642 PolarHBondContact O-N 2.91Å; G638-S671 CarbonylContact C-O 3.15Å; G638-S671 WeakPolarHBondContact CA-O 3.3Å
639	P	84.1	Confident	83.8	Confident	82 Å²	82	60.9 Å²	60.9	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-36.9	-178	-26.1	35.5	0	0	0	113.8	K643	P639-K643 PolarHBondContact O-N 2.82Å
640	E	81.9	Confident	84.5	Confident	114 Å²	114	60.1 Å²	60.1	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-71.5	-40.6	178	-62.2	-170.9	171.8	0	0	111.8	V637 G638 K643 K644	V637-E640 PolarHBondContact O-N 3.14Å; G638-E640 VanDerWaalsContact C-N 3.3Å; G638-E640 PolarHBondContact O-N 3.01Å; E640-K643 PolarHBondContact O-N 3.35Å; E640-K644 WeakPolarHBondContact O-CG 3.48Å; E640-K644 PolarHBondContact O-N 2.78Å
641	V	82.3	Confident	85.1	Confident	8 Å²	8	60.3 Å²	60.3	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-43.9	179.2	174.8	0	0	0	0	110.6	L634 V637 G638 K643 K644 V645 L667 I728 Y732	L634-V641 HydrophobicContact CD2-CB 4.14Å; L634-V641 HydrophobicContact CD2-CG1 3.99Å; L634-V641 HydrophobicContact CD2-CG2 4.41Å; V637-V641 HydrophobicContact CB-CG2 4.43Å; V637-V641 HydrophobicContact CG2-CG2 3.99Å; V637-V641 WeakPolarHBondContact O-CG2 3.36Å; V637-V641 PolarHBondContact O-N 3.47Å; G638-V641 PolarHBondContact O-N 3.4Å; V641-K643 PolarHBondContact O-N 3.45Å; V641-K644 PolarHBondContact O-N 3.38Å; V641-V645 HydrophobicContact CG1-CG2 4.18Å; V641-V645 WeakPolarHBondContact O-CB 3.36Å; V641-V645 WeakPolarHBondContact O-CG2 3.42Å; V641-V645 PolarHBondContact O-N 3.4Å; V641-L667 HydrophobicContact CG1-CD1 3.82Å; V641-L667 HydrophobicContact CG1-CD2 3.94Å; V641-L667 HydrophobicContact CG1-CG 4.42Å; V641-I728 HydrophobicContact CG1-CG2 4.02Å; V641-I728 HydrophobicContact CG2-CG2 4.01Å; V641-Y732 HydrophobicContact CG2-CE2 4.45Å
642	V	86.4	Confident	85.6	Confident	17 Å²	17	60.5 Å²	60.5	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-46.3	175.2	170.2	0	0	0	0	111.1	G638 K644 V645 N646 L667 G672	G638-V642 VanDerWaalsContact O-CG2 3.31Å; G638-V642 WeakPolarHBondContact O-CG2 3.48Å; G638-V642 PolarHBondContact O-N 2.91Å; V642-K644 VanDerWaalsContact C-N 3.26Å; V642-K644 PolarHBondContact O-N 3.21Å; V642-V645 PolarHBondContact O-N 2.96Å; V642-N646 WeakPolarHBondContact O-CA 3.45Å; V642-N646 PolarHBondContact O-N 3.05Å; V642-L667 HydrophobicContact CG2-CB 4.46Å; V642-G672 VanDerWaalsContact CG2-N 3.34Å
643	K	84.9	Confident	86.3	Confident	187 Å²	187	54 Å²	54	81%	0.813	26%	0.261	S	S	*	.	H	α-helix	trans	-60.5	-34.6	179.5	-171.3	177.3	-179.3	179.6	0	112.8	P639 E640 V641	P639-K643 PolarHBondContact O-N 2.82Å; E640-K643 PolarHBondContact O-N 3.35Å; V641-K643 PolarHBondContact O-N 3.45Å
644	K	82.6	Confident	86.9	Confident	114 Å²	114	51.6 Å²	51.6	50%	0.496	26%	0.255	S	S	.	.	H	α-helix	trans	-83.4	-35.3	-178.7	-70.9	176.7	-178.9	172.6	0	113.2	E640 V641 V642 I728	E640-K644 WeakPolarHBondContact O-CG 3.48Å; E640-K644 PolarHBondContact O-N 2.78Å; V641-K644 PolarHBondContact O-N 3.38Å; V642-K644 VanDerWaalsContact C-N 3.26Å; V642-K644 PolarHBondContact O-N 3.21Å; K644-I728 HydrophobicContact CB-CD1 3.62Å; K644-I728 HydrophobicContact CD-CD1 4.12Å
645	V	86.8	Confident	87.2	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-95.9	-49.8	-172.5	-177.9	0	0	0	0	112.4	V641 V642 A647 F649 L667 I728	V641-V645 HydrophobicContact CG1-CG2 4.18Å; V641-V645 WeakPolarHBondContact O-CB 3.36Å; V641-V645 WeakPolarHBondContact O-CG2 3.42Å; V641-V645 PolarHBondContact O-N 3.4Å; V642-V645 PolarHBondContact O-N 2.96Å; V645-A647 HydrophobicContact CG1-CB 4.16Å; V645-A647 PolarHBondContact O-N 2.71Å; V645-F649 HydrophobicContact CG1-CE2 3.5Å; V645-F649 VanDerWaalsContact CG1-CE2 3.5Å; V645-F649 HydrophobicContact CG1-CZ 3.85Å; V645-L667 HydrophobicContact CB-CB 4.19Å; V645-L667 HydrophobicContact CB-CD1 4.07Å; V645-L667 HydrophobicContact CG1-CB 4.19Å; V645-L667 HydrophobicContact CG1-CD1 3.9Å; V645-L667 HydrophobicContact CG2-CD1 4.11Å; V645-I728 HydrophobicContact CG2-CD1 3.44Å; V645-I728 VanDerWaalsContact CG2-CD1 3.44Å
646	N	90.4	Very high	87	Confident	100 Å²	100	51.8 Å²	51.8	54%	0.535	28%	0.278	S	S	.	.			trans	48.1	50.1	178.9	-167.4	30.1	0	0	0	114.6	V642 L667	V642-N646 WeakPolarHBondContact O-CA 3.45Å; V642-N646 PolarHBondContact O-N 3.05Å; N646-L667 VanDerWaalsContact CA-O 3.31Å; N646-L667 WeakPolarHBondContact CA-O 3.36Å; N646-L667 PolarHBondContact N-O 2.91Å
647	A	92	Very high	86.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.9	-175.3	0	0	0	0	0	113.2	V645 F649 L667 D684 L721	V645-A647 HydrophobicContact CG1-CB 4.16Å; V645-A647 PolarHBondContact O-N 2.71Å; A647-F649 HydrophobicContact CB-CE2 3.74Å; A647-F649 HydrophobicContact CB-CZ 3.84Å; A647-L667 PolarHBondContact N-O 3.35Å; A647-L667 CarbonylContact O-C 3.5Å; A647-L667 WeakPolarHBondContact O-CA 3.29Å; A647-L667 WeakPolarHBondContact O-CB 3.09Å; A647-L667 PolarHBondContact O-N 3.43Å; A647-D684 WeakPolarHBondContact CA-OD2 3.27Å; A647-D684 HydrophobicContact CB-CB 4.18Å; A647-L721 HydrophobicContact CB-CD1 3.85Å; A647-L721 HydrophobicContact CB-CD2 4.46Å
648	V	93.2	Very high	86.8	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.6	174.1	-176.7	0	0	0	0	110.5	T664 D666 K668 A679 D684 T685	V648-T664 HydrophobicContact CG1-CG2 3.64Å; V648-D666 HydrophobicContact CG1-CB 4.42Å; V648-D666 HydrophobicContact CG2-CB 4.37Å; V648-K668 HydrophobicContact CG2-CB 3.8Å; V648-K668 HydrophobicContact CG2-CD 4.09Å; V648-A679 HydrophobicContact CG1-CB 3.97Å; V648-D684 PolarHBondContact N-OD2 2.85Å; V648-D684 PolarHBondContact O-N 2.87Å; V648-T685 PolarHBondContact O-N 3.3Å
649	F	93.6	Very high	87.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	179.5	-57.9	-91.8	0	0	0	111	V645 A647 T664 I665 L667 T685 L721 L725	V645-F649 HydrophobicContact CG1-CE2 3.5Å; V645-F649 VanDerWaalsContact CG1-CE2 3.5Å; V645-F649 HydrophobicContact CG1-CZ 3.85Å; A647-F649 HydrophobicContact CB-CE2 3.74Å; A647-F649 HydrophobicContact CB-CZ 3.84Å; F649-T664 CarbonylContact O-C 3.45Å; F649-T664 WeakPolarHBondContact O-CA 3.46Å; F649-I665 HydrophobicContact CB-CB 4.43Å; F649-I665 PolarHBondContact N-O 3.31Å; F649-I665 PolarHBondContact O-N 2.98Å; F649-L667 HydrophobicContact CE2-CD1 4.45Å; F649-T685 WeakPolarHBondContact CA-O 3.31Å; F649-T685 HydrophobicContact CD1-CG2 4.48Å; F649-L721 HydrophobicContact CE1-CB 3.91Å; F649-L721 WeakPolarHBondContact CE1-O 3.44Å; F649-L721 HydrophobicContact CZ-CB 3.92Å; F649-L721 WeakPolarHBondContact CZ-O 3.35Å; F649-L725 HydrophobicContact CB-CD2 4.21Å; F649-L725 HydrophobicContact CD1-CD2 3.76Å; F649-L725 HydrophobicContact CD2-CD1 4.25Å; F649-L725 HydrophobicContact CD2-CD2 3.82Å; F649-L725 HydrophobicContact CD2-CG 4.48Å; F649-L725 HydrophobicContact CE1-CB 4.07Å; F649-L725 HydrophobicContact CE1-CD2 4.08Å; F649-L725 HydrophobicContact CE2-CB 4.13Å; F649-L725 HydrophobicContact CE2-CD1 4.13Å; F649-L725 HydrophobicContact CE2-CD2 4.11Å; F649-L725 HydrophobicContact CE2-CG 4.36Å; F649-L725 HydrophobicContact CG-CD2 3.64Å; F649-L725 HydrophobicContact CZ-CB 3.81Å; F649-L725 HydrophobicContact CZ-CD2 4.24Å; F649-L725 HydrophobicContact CZ-CG 4.45Å
650	E	94.4	Very high	86.9	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.1	171.6	-173.7	170.4	131.5	0	0	110	H652 W663 P678 A679 A683 T685 T686 I687	E650-H652 IonicContact OE1-CD2 3.24Å; E650-H652 IonicContact OE1-CE1 3.39Å; E650-H652 IonicContact OE1-NE2 3.71Å; E650-H652 PolarHBondContact OE1-NE2 3.45Å; E650-W663 CarbonylContact C-O 3.46Å; E650-W663 WeakPolarHBondContact CA-O 3.44Å; E650-P678 WeakPolarHBondContact OE2-CA 3.31Å; E650-A679 PolarHBondContact OE2-N 2.75Å; E650-A683 HydrophobicContact CB-CB 3.78Å; E650-T685 PolarHBondContact N-O 2.92Å; E650-T686 HydrophobicContact CB-CG2 4.3Å; E650-T686 HydrophobicContact CG-CG2 4.45Å; E650-T686 CarbonylContact O-C 3.33Å; E650-T686 WeakPolarHBondContact O-CA 3.4Å; E650-I687 PolarHBondContact O-N 2.81Å
651	W	94.1	Very high	87.3	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	-177.9	-65.4	81.9	0	0	0	109.5	F627 K662 W663 I687 L689 F694 L725	F627-W651 HydrophobicContact CE1-CB 4.13Å; F627-W651 AromaticContact CE1-CD1 3.71Å; F627-W651 HydrophobicContact CE1-CD2 4.16Å; F627-W651 AromaticContact CE1-CG 3.74Å; F627-W651 HydrophobicContact CE1-CG 3.74Å; F627-W651 HydrophobicContact CZ-CB 3.64Å; F627-W651 AromaticContact CZ-CD2 3.92Å; F627-W651 HydrophobicContact CZ-CD2 3.92Å; F627-W651 HydrophobicContact CZ-CE3 4.37Å; F627-W651 AromaticContact CZ-CG 3.59Å; F627-W651 HydrophobicContact CZ-CG 3.59Å; W651-K662 CarbonylContact O-C 3.51Å; W651-K662 VanDerWaalsContact O-CA 3.23Å; W651-K662 WeakPolarHBondContact O-CA 3.26Å; W651-W663 HydrophobicContact CB-CB 4.24Å; W651-W663 PolarHBondContact N-O 3.19Å; W651-W663 PolarHBondContact O-N 3Å; W651-I687 CarbonylContact C-O 3.57Å; W651-I687 VanDerWaalsContact CA-O 3.29Å; W651-I687 WeakPolarHBondContact CA-O 3.41Å; W651-I687 HydrophobicContact CD2-CB 4.08Å; W651-I687 HydrophobicContact CD2-CD1 4.29Å; W651-I687 HydrophobicContact CE3-CB 3.68Å; W651-I687 HydrophobicContact CE3-CD1 4.25Å; W651-I687 HydrophobicContact CE3-CG2 3.67Å; W651-I687 HydrophobicContact CH2-CB 4.36Å; W651-I687 HydrophobicContact CH2-CD1 3.46Å; W651-I687 VanDerWaalsContact CH2-CD1 3.46Å; W651-I687 HydrophobicContact CH2-CG2 4.15Å; W651-I687 HydrophobicContact CZ2-CD1 3.49Å; W651-I687 VanDerWaalsContact CZ2-CD1 3.49Å; W651-I687 HydrophobicContact CZ3-CB 3.84Å; W651-I687 HydrophobicContact CZ3-CD1 3.86Å; W651-I687 HydrophobicContact CZ3-CG1 4.46Å; W651-I687 HydrophobicContact CZ3-CG2 3.44Å; W651-I687 VanDerWaalsContact CZ3-CG2 3.44Å; W651-L689 HydrophobicContact CE3-CD2 3.93Å; W651-L689 HydrophobicContact CZ3-CD2 4.13Å; W651-F694 HydrophobicContact CE3-CD2 4.15Å; W651-F694 AromaticContact CE3-CE2 3.98Å; W651-F694 HydrophobicContact CE3-CE2 3.98Å; W651-F694 HydrophobicContact CH2-CE2 4.45Å; W651-F694 HydrophobicContact CZ3-CD2 4.04Å; W651-F694 AromaticContact CZ3-CE2 3.93Å; W651-F694 HydrophobicContact CZ3-CE2 3.93Å; W651-L725 HydrophobicContact CZ2-CD2 3.82Å
652	H	94.4	Very high	87.8	Confident	22 Å²	22	53.8 Å²	53.8	10%	0.102	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.1	172.4	-60	178	0	0	0	107.9	E650 I659 I687 I688 L689	E650-H652 IonicContact OE1-CD2 3.24Å; E650-H652 IonicContact OE1-CE1 3.39Å; E650-H652 IonicContact OE1-NE2 3.71Å; E650-H652 PolarHBondContact OE1-NE2 3.45Å; H652-I659 HydrophobicContact CB-CD1 4.19Å; H652-I659 HydrophobicContact CB-CG1 4.32Å; H652-I659 HydrophobicContact CB-CG2 4.27Å; H652-I687 PolarHBondContact N-O 3.43Å; H652-I688 HydrophobicContact CB-CB 4.29Å; H652-I688 HydrophobicContact CB-CG1 4Å; H652-I688 HydrophobicContact CB-CG2 4Å; H652-I688 WeakPolarHBondContact O-CA 3.21Å; H652-L689 PolarHBondContact O-N 3.28Å
653	I	93.8	Very high	88.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.3	177.3	-52.9	-56.2	0	0	0	108.6	L621 S623 F627 G660 A661 L689 D691 F694	L621-I653 HydrophobicContact CD1-CB 4.04Å; L621-I653 HydrophobicContact CD1-CG2 3.85Å; S623-I653 WeakPolarHBondContact OG-CG2 3.41Å; F627-I653 HydrophobicContact CE2-CD1 3.97Å; F627-I653 HydrophobicContact CE2-CG1 3.93Å; F627-I653 HydrophobicContact CZ-CD1 4.26Å; I653-G660 PolarHBondContact O-N 3.35Å; I653-A661 PolarHBondContact N-O 3.41Å; I653-A661 PolarHBondContact O-N 2.89Å; I653-L689 WeakPolarHBondContact CA-O 3.4Å; I653-L689 HydrophobicContact CD1-CD2 3.76Å; I653-D691 HydrophobicContact CG2-CB 3.69Å; I653-F694 HydrophobicContact CD1-CB 4.24Å; I653-F694 HydrophobicContact CD1-CD2 3.86Å; I653-F694 HydrophobicContact CD1-CE2 4.4Å; I653-F694 HydrophobicContact CD1-CG 4.02Å
654	T	90.4	Very high	88.6	Confident	24 Å²	24	44.7 Å²	44.7	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	149.3	179.1	65.6	0	0	0	0	111.9	N658 I659 I688 L689 S690 D691	T654-N658 CarbonylContact C-O 3.57Å; T654-N658 WeakPolarHBondContact CA-O 3.24Å; T654-N658 WeakPolarHBondContact CB-O 3.34Å; T654-I659 HydrophobicContact CG2-CG1 4.19Å; T654-I688 HydrophobicContact CG2-CG2 4.1Å; T654-L689 PolarHBondContact N-O 2.78Å; T654-L689 PolarHBondContact OG1-O 3.22Å; T654-S690 CarbonylContact O-C 3.45Å; T654-S690 VanDerWaalsContact O-CA 3.27Å; T654-S690 WeakPolarHBondContact O-CA 3.3Å; T654-S690 WeakPolarHBondContact OG1-CA 3.18Å; T654-S690 PolarHBondContact OG1-N 2.93Å; T654-D691 PolarHBondContact O-N 2.82Å
655	K	85.6	Confident	89.1	Confident	101 Å²	101	39.3 Å²	39.3	44%	0.439	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.4	170.4	-174.7	163.7	-176.6	167	0	108.3	L621 G657 N658	L621-K655 HydrophobicContact CD2-CB 3.7Å; L621-K655 HydrophobicContact CD2-CD 3.47Å; L621-K655 VanDerWaalsContact CD2-CD 3.47Å; L621-K655 HydrophobicContact CD2-CG 4.22Å; K655-G657 PolarHBondContact O-N 3.38Å; K655-N658 PolarHBondContact N-O 2.83Å; K655-N658 PolarHBondContact O-N 3.34Å
656	G	76.6	Confident	89.3	Confident	80 Å²	80	39.9 Å²	39.9	83%	0.825	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	31.4	-172.4	0	0	0	0	0	113.9	N658	G656-N658 VanDerWaalsContact C-N 3.33Å; G656-N658 PolarHBondContact O-N 2.9Å
657	G	73.6	Confident	89.4	Confident	67 Å²	67	35.2 Å²	35.2	69%	0.691	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-13.2	177.3	0	0	0	0	0	116.2	K655	K655-G657 PolarHBondContact O-N 3.38Å
658	N	81.1	Confident	89.1	Confident	127 Å²	127	39.9 Å²	39.9	68%	0.679	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	150.3	176	-66.9	-45.4	0	0	0	111.3	T654 K655 G656 G660	T654-N658 CarbonylContact C-O 3.57Å; T654-N658 WeakPolarHBondContact CA-O 3.24Å; T654-N658 WeakPolarHBondContact CB-O 3.34Å; K655-N658 PolarHBondContact N-O 2.83Å; K655-N658 PolarHBondContact O-N 3.34Å; G656-N658 VanDerWaalsContact C-N 3.33Å; G656-N658 PolarHBondContact O-N 2.9Å; N658-G660 PolarHBondContact O-N 3.34Å; N658-G660 VanDerWaalsContact O-N 3.11Å
659	I	87	Confident	88.4	Confident	89 Å²	89	41.4 Å²	41.4	46%	0.456	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	108.6	174.2	-60.1	174.2	0	0	0	108.5	H652 T654 K662	H652-I659 HydrophobicContact CB-CD1 4.19Å; H652-I659 HydrophobicContact CB-CG1 4.32Å; H652-I659 HydrophobicContact CB-CG2 4.27Å; T654-I659 HydrophobicContact CG2-CG1 4.19Å; I659-K662 HydrophobicContact CG2-CG 3.96Å
660	G	80.6	Confident	87.9	Confident	50 Å²	50	45 Å²	45	52%	0.515	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-27.4	178.4	0	0	0	0	0	113.2	I653 N658	I653-G660 PolarHBondContact O-N 3.35Å; N658-G660 PolarHBondContact O-N 3.34Å; N658-G660 VanDerWaalsContact O-N 3.11Å
661	A	89.4	Confident	87.3	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154.4	170.6	0	0	0	0	0	112.2	L621 I653	L621-A661 HydrophobicContact CD1-CB 3.56Å; I653-A661 PolarHBondContact N-O 3.41Å; I653-A661 PolarHBondContact O-N 2.89Å
662	K	93.6	Very high	87	Confident	74 Å²	74	45.9 Å²	45.9	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.1	165.4	-64.1	-172.3	178	-176.1	0	110.1	W651 I659 G677 P678	W651-K662 CarbonylContact O-C 3.51Å; W651-K662 VanDerWaalsContact O-CA 3.23Å; W651-K662 WeakPolarHBondContact O-CA 3.26Å; I659-K662 HydrophobicContact CG2-CG 3.96Å; K662-G677 PolarHBondContact O-N 2.82Å; K662-P678 HydrophobicContact CD-CB 4.36Å
663	W	93.9	Very high	86.7	Confident	13 Å²	13	48.9 Å²	48.9	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.6	176.2	-71.6	92.6	0	0	0	110.1	T624 F627 E628 E650 W651 V674 Q676	T624-W663 HydrophobicContact CG2-CH2 4.32Å; T624-W663 HydrophobicContact CG2-CZ2 3.85Å; F627-W663 HydrophobicContact CB-CD2 3.61Å; F627-W663 HydrophobicContact CB-CE3 3.52Å; F627-W663 HydrophobicContact CB-CG 4.16Å; F627-W663 HydrophobicContact CB-CH2 4.19Å; F627-W663 HydrophobicContact CB-CZ2 4.3Å; F627-W663 HydrophobicContact CB-CZ3 3.81Å; F627-W663 HydrophobicContact CD1-CB 3.81Å; F627-W663 HydrophobicContact CD1-CD2 4.32Å; F627-W663 HydrophobicContact CD1-CE3 4.5Å; F627-W663 HydrophobicContact CD1-CG 4.04Å; F627-W663 HydrophobicContact CD2-CB 4.01Å; F627-W663 AromaticContact CD2-CD1 3.42Å; F627-W663 VanDerWaalsContact CD2-CD1 3.42Å; F627-W663 AromaticContact CD2-CD2 3.75Å; F627-W663 HydrophobicContact CD2-CD2 3.75Å; F627-W663 AromaticContact CD2-CE2 3.92Å; F627-W663 AromaticContact CD2-CG 3.46Å; F627-W663 HydrophobicContact CD2-CG 3.46Å; F627-W663 VanDerWaalsContact CD2-CG 3.46Å; F627-W663 AromaticContact CD2-NE1 3.68Å; F627-W663 HydrophobicContact CE1-CB 3.8Å; F627-W663 HydrophobicContact CE1-CG 4.32Å; F627-W663 HydrophobicContact CE2-CB 4.02Å; F627-W663 AromaticContact CE2-CD1 3.59Å; F627-W663 AromaticContact CE2-CG 3.8Å; F627-W663 HydrophobicContact CE2-CG 3.8Å; F627-W663 HydrophobicContact CG-CB 3.93Å; F627-W663 AromaticContact CG-CD2 3.64Å; F627-W663 HydrophobicContact CG-CD2 3.64Å; F627-W663 AromaticContact CG-CE3 3.96Å; F627-W663 HydrophobicContact CG-CE3 3.96Å; F627-W663 AromaticContact CG-CG 3.61Å; F627-W663 HydrophobicContact CG-CG 3.61Å; F627-W663 HydrophobicContact CZ-CB 3.92Å; F627-W663 HydrophobicContact CZ-CG 4.22Å; E628-W663 HydrophobicContact CG-CH2 4.33Å; E650-W663 CarbonylContact C-O 3.46Å; E650-W663 WeakPolarHBondContact CA-O 3.44Å; W651-W663 HydrophobicContact CB-CB 4.24Å; W651-W663 PolarHBondContact N-O 3.19Å; W651-W663 PolarHBondContact O-N 3Å; W663-V674 HydrophobicContact CE3-CG1 3.91Å; W663-V674 HydrophobicContact CZ3-CG1 4.3Å; W663-Q676 HydrophobicContact CD2-CB 4.22Å; W663-Q676 HydrophobicContact CD2-CG 4.18Å; W663-Q676 HydrophobicContact CE3-CB 3.93Å; W663-Q676 HydrophobicContact CE3-CG 4.4Å; W663-Q676 HydrophobicContact CH2-CB 3.82Å; W663-Q676 HydrophobicContact CH2-CG 4.15Å; W663-Q676 HydrophobicContact CZ2-CB 4.07Å; W663-Q676 HydrophobicContact CZ2-CG 3.86Å; W663-Q676 HydrophobicContact CZ3-CB 3.75Å; W663-Q676 HydrophobicContact CZ3-CG 4.41Å
664	T	94	Very high	86.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.8	174.1	-58.5	0	0	0	0	110.4	V648 F649 V674 Y675 G677 A679	V648-T664 HydrophobicContact CG1-CG2 3.64Å; F649-T664 CarbonylContact O-C 3.45Å; F649-T664 WeakPolarHBondContact O-CA 3.46Å; T664-V674 VanDerWaalsContact O-CA 3.3Å; T664-V674 WeakPolarHBondContact O-CA 3.08Å; T664-Y675 HydrophobicContact CG2-CE1 3.83Å; T664-Y675 HydrophobicContact CG2-CE2 4.25Å; T664-Y675 WeakPolarHBondContact CG2-OH 3.47Å; T664-Y675 PolarHBondContact N-O 2.85Å; T664-Y675 PolarHBondContact O-N 3.49Å; T664-G677 PolarHBondContact OG1-O 3.36Å; T664-A679 HydrophobicContact CG2-CB 3.85Å; T664-A679 WeakPolarHBondContact OG1-CA 3.48Å; T664-A679 PolarHBondContact OG1-N 3.46Å
665	I	92.6	Very high	86.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	102.9	167.2	-47.4	-176.7	0	0	0	107	F627 I630 L634 F649 L667 V674	F627-I665 HydrophobicContact CD1-CD1 4.33Å; F627-I665 HydrophobicContact CD1-CG1 4.38Å; F627-I665 HydrophobicContact CE1-CD1 4.1Å; F627-I665 HydrophobicContact CE1-CG1 4.3Å; I630-I665 HydrophobicContact CD1-CD1 4.42Å; I630-I665 HydrophobicContact CG2-CD1 4.39Å; L634-I665 HydrophobicContact CD1-CG2 4.21Å; F649-I665 HydrophobicContact CB-CB 4.43Å; F649-I665 PolarHBondContact N-O 3.31Å; F649-I665 PolarHBondContact O-N 2.98Å; I665-L667 HydrophobicContact CG2-CD1 4.05Å; I665-L667 HydrophobicContact CG2-CD2 4Å; I665-L667 HydrophobicContact CG2-CG 3.77Å; I665-V674 HydrophobicContact CB-CG2 4.42Å; I665-V674 HydrophobicContact CG1-CG1 4.49Å; I665-V674 HydrophobicContact CG1-CG2 4.09Å; I665-V674 HydrophobicContact CG2-CG2 4.07Å
666	D	91.9	Very high	86.9	Confident	15 Å²	15	52 Å²	52	8%	0.08	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105	176.4	176	-9.6	0	0	0	108.4	V648 K668 S669 G672 K673 Y675	V648-D666 HydrophobicContact CG1-CB 4.42Å; V648-D666 HydrophobicContact CG2-CB 4.37Å; D666-K668 PolarHBondContact OD1-N 2.96Å; D666-S669 PolarHBondContact OD1-N 3.05Å; D666-S669 PolarHBondContact OD1-OG 3.27Å; D666-S669 PolarHBondContact OD2-OG 3.04Å; D666-G672 CarbonylContact O-C 3.6Å; D666-G672 WeakPolarHBondContact O-CA 3.46Å; D666-K673 HydrophobicContact CB-CG 3.88Å; D666-K673 PolarHBondContact N-O 3.44Å; D666-K673 PolarHBondContact O-N 3.2Å; D666-K673 WeakPolarHBondContact OD2-CE 3.45Å; D666-K673 IonicContact OD2-NZ 3.1Å; D666-K673 PolarHBondContact OD2-NZ 3.34Å; D666-K673 VanDerWaalsContact OD2-NZ 3.1Å; D666-Y675 HydrophobicContact CB-CE1 4.22Å
667	L	91.3	Very high	87.5	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	30.6	175.6	-58.1	175.3	0	0	0	111	L634 V641 V642 V645 N646 A647 F649 I665 L725	L634-L667 HydrophobicContact CD1-CD2 3.71Å; L634-L667 HydrophobicContact CD2-CD2 3.68Å; L634-L667 HydrophobicContact CG-CD2 4.38Å; V641-L667 HydrophobicContact CG1-CD1 3.82Å; V641-L667 HydrophobicContact CG1-CD2 3.94Å; V641-L667 HydrophobicContact CG1-CG 4.42Å; V642-L667 HydrophobicContact CG2-CB 4.46Å; V645-L667 HydrophobicContact CB-CB 4.19Å; V645-L667 HydrophobicContact CB-CD1 4.07Å; V645-L667 HydrophobicContact CG1-CB 4.19Å; V645-L667 HydrophobicContact CG1-CD1 3.9Å; V645-L667 HydrophobicContact CG2-CD1 4.11Å; N646-L667 VanDerWaalsContact CA-O 3.31Å; N646-L667 WeakPolarHBondContact CA-O 3.36Å; N646-L667 PolarHBondContact N-O 2.91Å; A647-L667 PolarHBondContact N-O 3.35Å; A647-L667 CarbonylContact O-C 3.5Å; A647-L667 WeakPolarHBondContact O-CA 3.29Å; A647-L667 WeakPolarHBondContact O-CB 3.09Å; A647-L667 PolarHBondContact O-N 3.43Å; F649-L667 HydrophobicContact CE2-CD1 4.45Å; I665-L667 HydrophobicContact CG2-CD1 4.05Å; I665-L667 HydrophobicContact CG2-CD2 4Å; I665-L667 HydrophobicContact CG2-CG 3.77Å; L667-L725 HydrophobicContact CD1-CD1 3.6Å
668	K	87.1	Confident	88.2	Confident	98 Å²	98	49.6 Å²	49.6	43%	0.426	30%	0.296	S	S	.	.	S	Bend	trans	-117.4	-28.2	-178.7	-159.9	174	-164.7	163.4	0	111.6	V648 D666 D684	V648-K668 HydrophobicContact CG2-CB 3.8Å; V648-K668 HydrophobicContact CG2-CD 4.09Å; D666-K668 PolarHBondContact OD1-N 2.96Å; K668-D684 IonicContact NZ-OD1 2.75Å; K668-D684 PolarHBondContact NZ-OD1 2.86Å; K668-D684 IonicContact NZ-OD2 3Å; K668-D684 PolarHBondContact NZ-OD2 3.44Å; K668-D684 VanDerWaalsContact NZ-OD2 3.08Å
669	S	78.3	Confident	88.6	Confident	47 Å²	47	44.3 Å²	44.3	33%	0.329	27%	0.269	S	S	.	.	S	Bend	trans	-112.5	142.2	-179.5	69.8	0	0	0	0	113.5	D666 G672 K673	D666-S669 PolarHBondContact OD1-N 3.05Å; D666-S669 PolarHBondContact OD1-OG 3.27Å; D666-S669 PolarHBondContact OD2-OG 3.04Å; S669-G672 PolarHBondContact O-N 2.78Å; S669-K673 PolarHBondContact OG-NZ 3.33Å
670	G	81.9	Confident	88.5	Confident	74 Å²	74	48.5 Å²	48.5	76%	0.763	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-136.2	173.6	0	0	0	0	0	113.9
671	S	81.4	Confident	88.6	Confident	59 Å²	59	48.8 Å²	48.8	41%	0.413	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.9	171.4	60	0	0	0	0	113	G638	G638-S671 CarbonylContact C-O 3.15Å; G638-S671 WeakPolarHBondContact CA-O 3.3Å
672	G	87.5	Confident	88.3	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	32%	0.32	C	S	.	.			trans	78.3	150.1	-172.5	0	0	0	0	0	113	V642 D666 S669	V642-G672 VanDerWaalsContact CG2-N 3.34Å; D666-G672 CarbonylContact O-C 3.6Å; D666-G672 WeakPolarHBondContact O-CA 3.46Å; S669-G672 PolarHBondContact O-N 2.78Å
673	K	89.8	Confident	88.1	Confident	84 Å²	84	50.6 Å²	50.6	37%	0.365	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.1	-175.5	62.1	-173.4	-176.8	-132.4	0	112.1	D666 S669 Y675	D666-K673 HydrophobicContact CB-CG 3.88Å; D666-K673 PolarHBondContact N-O 3.44Å; D666-K673 PolarHBondContact O-N 3.2Å; D666-K673 WeakPolarHBondContact OD2-CE 3.45Å; D666-K673 IonicContact OD2-NZ 3.1Å; D666-K673 PolarHBondContact OD2-NZ 3.34Å; D666-K673 VanDerWaalsContact OD2-NZ 3.1Å; S669-K673 PolarHBondContact OG-NZ 3.33Å; K673-Y675 HydrophobicContact CD-CD1 4.21Å; K673-Y675 HydrophobicContact CD-CE1 4.23Å; K673-Y675 HydrophobicContact CG-CD1 4.02Å; K673-Y675 HydrophobicContact CG-CE1 4.14Å
674	V	91.9	Very high	88.1	Confident	27 Å²	27	52 Å²	52	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.2	166.5	-175.5	0	0	0	0	109	F627 I630 L634 W663 T664 I665	F627-V674 HydrophobicContact CB-CG1 4.09Å; F627-V674 HydrophobicContact CD1-CG1 4.22Å; F627-V674 WeakPolarHBondContact O-CG1 3.41Å; I630-V674 HydrophobicContact CB-CG2 4.27Å; I630-V674 HydrophobicContact CG2-CG2 3.78Å; L634-V674 HydrophobicContact CD1-CG2 3.84Å; W663-V674 HydrophobicContact CE3-CG1 3.91Å; W663-V674 HydrophobicContact CZ3-CG1 4.3Å; T664-V674 VanDerWaalsContact O-CA 3.3Å; T664-V674 WeakPolarHBondContact O-CA 3.08Å; I665-V674 HydrophobicContact CB-CG2 4.42Å; I665-V674 HydrophobicContact CG1-CG1 4.49Å; I665-V674 HydrophobicContact CG1-CG2 4.09Å; I665-V674 HydrophobicContact CG2-CG2 4.07Å
675	Y	90.9	Very high	88	Confident	38 Å²	38	52 Å²	52	15%	0.149	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.1	173.1	56.3	-83.8	0	0	0	111.3	T664 D666 K673 P678 K680	T664-Y675 HydrophobicContact CG2-CE1 3.83Å; T664-Y675 HydrophobicContact CG2-CE2 4.25Å; T664-Y675 WeakPolarHBondContact CG2-OH 3.47Å; T664-Y675 PolarHBondContact N-O 2.85Å; T664-Y675 PolarHBondContact O-N 3.49Å; D666-Y675 HydrophobicContact CB-CE1 4.22Å; K673-Y675 HydrophobicContact CD-CD1 4.21Å; K673-Y675 HydrophobicContact CD-CE1 4.23Å; K673-Y675 HydrophobicContact CG-CD1 4.02Å; K673-Y675 HydrophobicContact CG-CE1 4.14Å; Y675-P678 WeakPolarHBondContact CE2-O 3.5Å; Y675-K680 HydrophobicContact CE2-CD 4.41Å; Y675-K680 HydrophobicContact CE2-CG 3.93Å; Y675-K680 PolarHBondContact OH-N 3.46Å
676	Q	91.3	Very high	88	Confident	127 Å²	127	53.1 Å²	53.1	59%	0.593	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	133.2	173.6	-162.5	176.4	7.9	0	0	109.6	W663	W663-Q676 HydrophobicContact CD2-CB 4.22Å; W663-Q676 HydrophobicContact CD2-CG 4.18Å; W663-Q676 HydrophobicContact CE3-CB 3.93Å; W663-Q676 HydrophobicContact CE3-CG 4.4Å; W663-Q676 HydrophobicContact CH2-CB 3.82Å; W663-Q676 HydrophobicContact CH2-CG 4.15Å; W663-Q676 HydrophobicContact CZ2-CB 4.07Å; W663-Q676 HydrophobicContact CZ2-CG 3.86Å; W663-Q676 HydrophobicContact CZ3-CB 3.75Å; W663-Q676 HydrophobicContact CZ3-CG 4.41Å
677	G	87.8	Confident	88.1	Confident	21 Å²	21	52.7 Å²	52.7	22%	0.216	33%	0.329	C	S	.	.	S	Bend	trans	120.8	167	-174.4	0	0	0	0	0	113.1	K662 T664	K662-G677 PolarHBondContact O-N 2.82Å; T664-G677 PolarHBondContact OG1-O 3.36Å
678	P	89.6	Confident	88.2	Confident	75 Å²	75	54.2 Å²	54.2	49%	0.487	34%	0.337	S	S	.	.	S	Bend	trans	-66	161.4	174.9	31.2	-35.6	0	0	0	110.9	E650 K662 Y675 K680	E650-P678 WeakPolarHBondContact OE2-CA 3.31Å; K662-P678 HydrophobicContact CD-CB 4.36Å; Y675-P678 WeakPolarHBondContact CE2-O 3.5Å; P678-K680 PolarHBondContact O-N 3.14Å
679	A	89.3	Confident	88.5	Confident	15 Å²	15	49.7 Å²	49.7	12%	0.124	32%	0.318	C	S	.	.			trans	-60.7	134.6	179.8	0	0	0	0	0	110.2	V648 E650 T664 G681 A683	V648-A679 HydrophobicContact CG1-CB 3.97Å; E650-A679 PolarHBondContact OE2-N 2.75Å; T664-A679 HydrophobicContact CG2-CB 3.85Å; T664-A679 WeakPolarHBondContact OG1-CA 3.48Å; T664-A679 PolarHBondContact OG1-N 3.46Å; A679-G681 VanDerWaalsContact CB-O 3.3Å; A679-G681 WeakPolarHBondContact CB-O 3.32Å; A679-G681 PolarHBondContact O-N 3.12Å; A679-A683 HydrophobicContact CB-CB 4.15Å
680	K	83.9	Confident	89.2	Confident	178 Å²	178	48.6 Å²	48.6	77%	0.774	31%	0.31	S	S	*	.	S	Bend	trans	-67.5	0.6	177.2	-65.1	-177.3	-179.1	-173.2	0	113.5	Y675 P678	Y675-K680 HydrophobicContact CE2-CD 4.41Å; Y675-K680 HydrophobicContact CE2-CG 3.93Å; Y675-K680 PolarHBondContact OH-N 3.46Å; P678-K680 PolarHBondContact O-N 3.14Å
681	G	82.6	Confident	89.6	Confident	56 Å²	56	45.2 Å²	45.2	58%	0.577	27%	0.274	S	S	*	.	S	Bend	trans	-155.2	-163.9	175.4	0	0	0	0	0	109.6	A679 A683	A679-G681 VanDerWaalsContact CB-O 3.3Å; A679-G681 WeakPolarHBondContact CB-O 3.32Å; A679-G681 PolarHBondContact O-N 3.12Å; G681-A683 PolarHBondContact O-N 2.81Å
682	A	83.4	Confident	89.9	Confident	93 Å²	93	46.9 Å²	46.9	77%	0.769	28%	0.275	S	S	*	.			trans	-67.1	124.4	177.9	0	0	0	0	0	111.5
683	A	90.8	Very high	89.9	Confident	30 Å²	30	47.5 Å²	47.5	25%	0.248	28%	0.276	C	S	.	.			trans	-73.6	131.2	169.6	0	0	0	0	0	109.8	E650 A679 G681 T685	E650-A683 HydrophobicContact CB-CB 3.78Å; A679-A683 HydrophobicContact CB-CB 4.15Å; G681-A683 PolarHBondContact O-N 2.81Å; A683-T685 VanDerWaalsContact C-N 3.31Å
684	D	93	Very high	89.9	Confident	43 Å²	43	43.8 Å²	43.8	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	-73.3	-29.4	176	-62.7	-71.1	0	0	0	110.6	A647 V648 K668 N718 L721	A647-D684 WeakPolarHBondContact CA-OD2 3.27Å; A647-D684 HydrophobicContact CB-CB 4.18Å; V648-D684 PolarHBondContact N-OD2 2.85Å; V648-D684 PolarHBondContact O-N 2.87Å; K668-D684 IonicContact NZ-OD1 2.75Å; K668-D684 PolarHBondContact NZ-OD1 2.86Å; K668-D684 IonicContact NZ-OD2 3Å; K668-D684 PolarHBondContact NZ-OD2 3.44Å; K668-D684 VanDerWaalsContact NZ-OD2 3.08Å; D684-N718 PolarHBondContact O-N 3.22Å; D684-L721 HydrophobicContact CB-CD1 3.84Å
685	T	92.4	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	136.8	172	-45.2	0	0	0	0	111	V648 F649 E650 A683 I687 R716 N718	V648-T685 PolarHBondContact O-N 3.3Å; F649-T685 WeakPolarHBondContact CA-O 3.31Å; F649-T685 HydrophobicContact CD1-CG2 4.48Å; E650-T685 PolarHBondContact N-O 2.92Å; A683-T685 VanDerWaalsContact C-N 3.31Å; T685-I687 HydrophobicContact CG2-CG1 4.11Å; T685-R716 CarbonylContact C-O 3.54Å; T685-R716 WeakPolarHBondContact CA-O 3.37Å; T685-N718 PolarHBondContact OG1-O 3.47Å
686	T	93	Very high	89	Confident	25 Å²	25	45.7 Å²	45.7	15%	0.153	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.6	170.3	-52.7	0	0	0	0	110.1	E650 I688 A715 R716	E650-T686 HydrophobicContact CB-CG2 4.3Å; E650-T686 HydrophobicContact CG-CG2 4.45Å; E650-T686 CarbonylContact O-C 3.33Å; E650-T686 WeakPolarHBondContact O-CA 3.4Å; T686-I688 HydrophobicContact CG2-CG1 4.33Å; T686-A715 CarbonylContact O-C 3.57Å; T686-A715 VanDerWaalsContact O-CA 3.26Å; T686-A715 WeakPolarHBondContact O-CA 3.48Å; T686-R716 PolarHBondContact N-O 3.28Å; T686-R716 PolarHBondContact O-N 3.25Å
687	I	92.7	Very high	88.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.6	-178.6	-56.9	167.1	0	0	0	109	E650 W651 H652 T685 L689 L713 K714	E650-I687 PolarHBondContact O-N 2.81Å; W651-I687 CarbonylContact C-O 3.57Å; W651-I687 VanDerWaalsContact CA-O 3.29Å; W651-I687 WeakPolarHBondContact CA-O 3.41Å; W651-I687 HydrophobicContact CD2-CB 4.08Å; W651-I687 HydrophobicContact CD2-CD1 4.29Å; W651-I687 HydrophobicContact CE3-CB 3.68Å; W651-I687 HydrophobicContact CE3-CD1 4.25Å; W651-I687 HydrophobicContact CE3-CG2 3.67Å; W651-I687 HydrophobicContact CH2-CB 4.36Å; W651-I687 HydrophobicContact CH2-CD1 3.46Å; W651-I687 VanDerWaalsContact CH2-CD1 3.46Å; W651-I687 HydrophobicContact CH2-CG2 4.15Å; W651-I687 HydrophobicContact CZ2-CD1 3.49Å; W651-I687 VanDerWaalsContact CZ2-CD1 3.49Å; W651-I687 HydrophobicContact CZ3-CB 3.84Å; W651-I687 HydrophobicContact CZ3-CD1 3.86Å; W651-I687 HydrophobicContact CZ3-CG1 4.46Å; W651-I687 HydrophobicContact CZ3-CG2 3.44Å; W651-I687 VanDerWaalsContact CZ3-CG2 3.44Å; H652-I687 PolarHBondContact N-O 3.43Å; T685-I687 HydrophobicContact CG2-CG1 4.11Å; I687-L689 HydrophobicContact CG2-CD2 4.22Å; I687-L713 HydrophobicContact CG2-CD1 4.2Å; I687-L713 HydrophobicContact CG2-CD2 3.96Å; I687-L713 HydrophobicContact CG2-CG 4Å; I687-K714 CarbonylContact C-O 3.46Å; I687-K714 WeakPolarHBondContact CA-O 3.2Å
688	I	93.1	Very high	88	Confident	33 Å²	33	42.6 Å²	42.6	17%	0.169	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	-174	-45.6	171.5	0	0	0	108.7	H652 T654 T686 L713 K714	H652-I688 HydrophobicContact CB-CB 4.29Å; H652-I688 HydrophobicContact CB-CG1 4Å; H652-I688 HydrophobicContact CB-CG2 4Å; H652-I688 WeakPolarHBondContact O-CA 3.21Å; T654-I688 HydrophobicContact CG2-CG2 4.1Å; T686-I688 HydrophobicContact CG2-CG1 4.33Å; I688-L713 CarbonylContact O-C 3.53Å; I688-K714 HydrophobicContact CB-CB 4.26Å; I688-K714 PolarHBondContact N-O 3.32Å; I688-K714 PolarHBondContact O-N 3.02Å
689	L	93.4	Very high	87.2	Confident	4 Å²	4	44 Å²	44	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	161.8	-179.2	71.5	-178.2	0	0	0	110.3	W651 H652 I653 T654 I687 F694 L713	W651-L689 HydrophobicContact CE3-CD2 3.93Å; W651-L689 HydrophobicContact CZ3-CD2 4.13Å; H652-L689 PolarHBondContact O-N 3.28Å; I653-L689 WeakPolarHBondContact CA-O 3.4Å; I653-L689 HydrophobicContact CD1-CD2 3.76Å; T654-L689 PolarHBondContact N-O 2.78Å; T654-L689 PolarHBondContact OG1-O 3.22Å; I687-L689 HydrophobicContact CG2-CD2 4.22Å; L689-F694 HydrophobicContact CD1-CB 3.83Å; L689-F694 HydrophobicContact CD1-CD2 4.14Å; L689-F694 HydrophobicContact CD1-CG 4.49Å; L689-F694 HydrophobicContact CD2-CB 4.28Å; L689-F694 HydrophobicContact CD2-CD2 4.09Å; L689-F694 HydrophobicContact CG-CB 3.86Å; L689-F694 HydrophobicContact CG-CD2 4.43Å; L689-L713 HydrophobicContact CB-CB 4.39Å; L689-L713 HydrophobicContact CB-CG 4.36Å; L689-L713 HydrophobicContact CD1-CD1 3.95Å; L689-L713 HydrophobicContact CD1-CG 4.35Å
690	S	93.2	Very high	86.5	Confident	24 Å²	24	46.4 Å²	46.4	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	156.8	176.8	62.6	0	0	0	0	111.7	T654 E692 D693 F694	T654-S690 CarbonylContact O-C 3.45Å; T654-S690 VanDerWaalsContact O-CA 3.27Å; T654-S690 WeakPolarHBondContact O-CA 3.3Å; T654-S690 WeakPolarHBondContact OG1-CA 3.18Å; T654-S690 PolarHBondContact OG1-N 2.93Å; S690-E692 PolarHBondContact O-N 3.09Å; S690-D693 PolarHBondContact O-N 3.1Å; S690-D693 WeakPolarHBondContact OG-CB 3.21Å; S690-D693 PolarHBondContact OG-N 2.84Å; S690-D693 PolarHBondContact OG-OD1 3.4Å; S690-F694 WeakPolarHBondContact O-CB 3.48Å; S690-F694 PolarHBondContact O-N 3.12Å
691	D	90.4	Very high	86	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-40	173.9	-165.9	44.6	0	0	0	110.9	L621 Q622 S623 I653 T654 M695	L621-D691 VanDerWaalsContact CA-OD2 3.28Å; L621-D691 WeakPolarHBondContact CA-OD2 3.19Å; L621-D691 WeakPolarHBondContact CB-OD1 3.42Å; L621-D691 HydrophobicContact CD2-CB 4Å; Q622-D691 PolarHBondContact N-OD1 2.85Å; Q622-D691 PolarHBondContact N-OD2 2.82Å; S623-D691 WeakPolarHBondContact CB-OD1 3.31Å; S623-D691 PolarHBondContact N-OD1 3.1Å; S623-D691 PolarHBondContact OG-OD1 3.21Å; I653-D691 HydrophobicContact CG2-CB 3.69Å; T654-D691 PolarHBondContact O-N 2.82Å; D691-M695 VanDerWaalsContact O-CG 3.31Å; D691-M695 WeakPolarHBondContact O-CG 3.4Å; D691-M695 PolarHBondContact O-N 3.45Å
692	E	88.8	Confident	85.8	Confident	94 Å²	94	42.6 Å²	42.6	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-49.2	175.9	-62.1	78.4	-165.6	0	0	112.1	S690 F694 M695 E696	S690-E692 PolarHBondContact O-N 3.09Å; E692-F694 VanDerWaalsContact C-N 3.31Å; E692-F694 PolarHBondContact O-N 2.8Å; E692-M695 PolarHBondContact O-N 2.8Å; E692-M695 VanDerWaalsContact O-N 3.14Å; E692-E696 PolarHBondContact O-N 3.16Å
693	D	86.5	Confident	85.8	Confident	22 Å²	22	41.4 Å²	41.4	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-33.7	-178.6	-71.9	3	0	0	0	111.6	S690 M695 E696 V697 L702 R712	S690-D693 PolarHBondContact O-N 3.1Å; S690-D693 WeakPolarHBondContact OG-CB 3.21Å; S690-D693 PolarHBondContact OG-N 2.84Å; S690-D693 PolarHBondContact OG-OD1 3.4Å; D693-M695 VanDerWaalsContact C-N 3.34Å; D693-E696 PolarHBondContact O-N 3.06Å; D693-V697 WeakPolarHBondContact O-CB 3.46Å; D693-V697 WeakPolarHBondContact O-CG2 3.28Å; D693-V697 PolarHBondContact O-N 2.91Å; D693-L702 HydrophobicContact CB-CD2 4.18Å; D693-R712 VanDerWaalsContact CG-NH2 3.31Å; D693-R712 IonicContact OD1-CZ 3Å; D693-R712 IonicContact OD1-NE 3.38Å; D693-R712 IonicContact OD1-NH2 2.78Å; D693-R712 PolarHBondContact OD1-NH2 2.84Å; D693-R712 WeakPolarHBondContact OD2-CB 3.44Å; D693-R712 IonicContact OD2-CZ 3.35Å; D693-R712 IonicContact OD2-NE 3.16Å; D693-R712 PolarHBondContact OD2-NE 3.37Å; D693-R712 IonicContact OD2-NH2 2.68Å
694	F	88.9	Confident	85.2	Confident	6 Å²	6	41 Å²	41	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-45	172	178.8	-93.8	0	0	0	111.3	V626 F627 W651 I653 L689 S690 E692 V697 V698	V626-F694 HydrophobicContact CB-CE1 3.79Å; V626-F694 HydrophobicContact CB-CZ 4.28Å; V626-F694 HydrophobicContact CG1-CE1 3.89Å; V626-F694 HydrophobicContact CG1-CZ 3.99Å; V626-F694 HydrophobicContact CG2-CE1 4.09Å; F627-F694 HydrophobicContact CD2-CZ 4.27Å; F627-F694 HydrophobicContact CE1-CE2 4.39Å; F627-F694 HydrophobicContact CE1-CZ 4.28Å; F627-F694 HydrophobicContact CE2-CE1 4.14Å; F627-F694 AromaticContact CE2-CE2 3.92Å; F627-F694 HydrophobicContact CE2-CE2 3.92Å; F627-F694 AromaticContact CE2-CZ 3.62Å; F627-F694 HydrophobicContact CE2-CZ 3.62Å; F627-F694 HydrophobicContact CZ-CD2 4.5Å; F627-F694 AromaticContact CZ-CE2 3.59Å; F627-F694 HydrophobicContact CZ-CE2 3.59Å; F627-F694 AromaticContact CZ-CZ 3.62Å; F627-F694 HydrophobicContact CZ-CZ 3.62Å; W651-F694 HydrophobicContact CE3-CD2 4.15Å; W651-F694 AromaticContact CE3-CE2 3.98Å; W651-F694 HydrophobicContact CE3-CE2 3.98Å; W651-F694 HydrophobicContact CH2-CE2 4.45Å; W651-F694 HydrophobicContact CZ3-CD2 4.04Å; W651-F694 AromaticContact CZ3-CE2 3.93Å; W651-F694 HydrophobicContact CZ3-CE2 3.93Å; I653-F694 HydrophobicContact CD1-CB 4.24Å; I653-F694 HydrophobicContact CD1-CD2 3.86Å; I653-F694 HydrophobicContact CD1-CE2 4.4Å; I653-F694 HydrophobicContact CD1-CG 4.02Å; L689-F694 HydrophobicContact CD1-CB 3.83Å; L689-F694 HydrophobicContact CD1-CD2 4.14Å; L689-F694 HydrophobicContact CD1-CG 4.49Å; L689-F694 HydrophobicContact CD2-CB 4.28Å; L689-F694 HydrophobicContact CD2-CD2 4.09Å; L689-F694 HydrophobicContact CG-CB 3.86Å; L689-F694 HydrophobicContact CG-CD2 4.43Å; S690-F694 WeakPolarHBondContact O-CB 3.48Å; S690-F694 PolarHBondContact O-N 3.12Å; E692-F694 VanDerWaalsContact C-N 3.31Å; E692-F694 PolarHBondContact O-N 2.8Å; F694-V697 PolarHBondContact O-N 3.43Å; F694-V698 HydrophobicContact CD1-CG2 4.16Å; F694-V698 HydrophobicContact CE1-CG2 3.79Å; F694-V698 HydrophobicContact CE2-CG2 4.36Å; F694-V698 HydrophobicContact CZ-CG2 3.91Å; F694-V698 VanDerWaalsContact O-CG2 3.28Å; F694-V698 WeakPolarHBondContact O-CG2 3.12Å; F694-V698 PolarHBondContact O-N 3.12Å
695	M	84.3	Confident	84.5	Confident	34 Å²	34	43.9 Å²	43.9	17%	0.167	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-39.5	176.9	-67.3	-54.2	-62.1	0	0	111.9	Q622 V626 D691 E692 D693 V697 V698 L699	Q622-M695 HydrophobicContact CB-CG 3.8Å; Q622-M695 HydrophobicContact CB-SD 4.05Å; V626-M695 HydrophobicContact CG2-CE 3.99Å; V626-M695 HydrophobicContact CG2-SD 3.68Å; D691-M695 VanDerWaalsContact O-CG 3.31Å; D691-M695 WeakPolarHBondContact O-CG 3.4Å; D691-M695 PolarHBondContact O-N 3.45Å; E692-M695 PolarHBondContact O-N 2.8Å; E692-M695 VanDerWaalsContact O-N 3.14Å; D693-M695 VanDerWaalsContact C-N 3.34Å; M695-V697 VanDerWaalsContact C-N 3.31Å; M695-V697 PolarHBondContact O-N 3.45Å; M695-V698 PolarHBondContact O-N 2.82Å; M695-L699 VanDerWaalsContact O-CB 3.29Å; M695-L699 WeakPolarHBondContact O-CB 3.42Å; M695-L699 WeakPolarHBondContact O-CG 3.26Å; M695-L699 PolarHBondContact O-N 3.3Å
696	E	81.1	Confident	83.9	Confident	72 Å²	72	51.1 Å²	51.1	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-38.8	174.1	-67.6	-170.7	162.2	0	0	112.4	E692 D693 G700 K701 L702 R712	E692-E696 PolarHBondContact O-N 3.16Å; D693-E696 PolarHBondContact O-N 3.06Å; E696-G700 PolarHBondContact O-N 2.89Å; E696-K701 HydrophobicContact CB-CB 4.34Å; E696-K701 PolarHBondContact O-N 3.14Å; E696-L702 HydrophobicContact CB-CB 3.56Å; E696-L702 HydrophobicContact CB-CD2 4.36Å; E696-L702 PolarHBondContact O-N 3.05Å; E696-R712 IonicContact OE2-CZ 3.74Å; E696-R712 IonicContact OE2-NH2 3.39Å; E696-R712 PolarHBondContact OE2-NH2 3Å
697	V	79.3	Confident	83.3	Confident	31 Å²	31	50 Å²	50	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-47.4	175.2	161.5	0	0	0	0	111.5	D693 F694 M695 L699 G700 L702 P704	D693-V697 WeakPolarHBondContact O-CB 3.46Å; D693-V697 WeakPolarHBondContact O-CG2 3.28Å; D693-V697 PolarHBondContact O-N 2.91Å; F694-V697 PolarHBondContact O-N 3.43Å; M695-V697 VanDerWaalsContact C-N 3.31Å; M695-V697 PolarHBondContact O-N 3.45Å; V697-L699 VanDerWaalsContact C-N 3.33Å; V697-L699 PolarHBondContact O-N 3.16Å; V697-G700 PolarHBondContact O-N 3.24Å; V697-G700 VanDerWaalsContact O-N 3.13Å; V697-L702 HydrophobicContact CG2-CB 4.21Å; V697-L702 HydrophobicContact CG2-CD2 4.15Å; V697-L702 HydrophobicContact CG2-CG 4.2Å; V697-P704 HydrophobicContact CB-CG 4.47Å; V697-P704 HydrophobicContact CG1-CG 3.62Å; V697-P704 HydrophobicContact CG2-CG 4.15Å
698	V	78.4	Confident	82.7	Confident	52 Å²	52	53.1 Å²	53.1	32%	0.315	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-39.5	179.9	170.4	0	0	0	0	111.3	V626 F694 M695 G700 L735	V626-V698 HydrophobicContact CG1-CG1 4.1Å; V626-V698 HydrophobicContact CG1-CG2 4.05Å; V626-V698 HydrophobicContact CG2-CG1 4.4Å; F694-V698 HydrophobicContact CD1-CG2 4.16Å; F694-V698 HydrophobicContact CE1-CG2 3.79Å; F694-V698 HydrophobicContact CE2-CG2 4.36Å; F694-V698 HydrophobicContact CZ-CG2 3.91Å; F694-V698 VanDerWaalsContact O-CG2 3.28Å; F694-V698 WeakPolarHBondContact O-CG2 3.12Å; F694-V698 PolarHBondContact O-N 3.12Å; M695-V698 PolarHBondContact O-N 2.82Å; V698-G700 PolarHBondContact O-N 3.27Å; V698-L735 HydrophobicContact CG1-CD1 4.38Å
699	L	72	Confident	81.8	Confident	103 Å²	103	59.8 Å²	59.8	54%	0.539	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.2	177.5	-65.4	171.6	0	0	0	113.3	M695 V697 K701	M695-L699 VanDerWaalsContact O-CB 3.29Å; M695-L699 WeakPolarHBondContact O-CB 3.42Å; M695-L699 WeakPolarHBondContact O-CG 3.26Å; M695-L699 PolarHBondContact O-N 3.3Å; V697-L699 VanDerWaalsContact C-N 3.33Å; V697-L699 PolarHBondContact O-N 3.16Å; L699-K701 HydrophobicContact CB-CD 4.34Å; L699-K701 HydrophobicContact CB-CG 4.12Å; L699-K701 PolarHBondContact O-N 2.93Å
700	G	74.2	Confident	81.1	Confident	67 Å²	67	63.2 Å²	63.2	69%	0.691	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11.9	-179.1	0	0	0	0	0	114.7	E696 V697 V698	E696-G700 PolarHBondContact O-N 2.89Å; V697-G700 PolarHBondContact O-N 3.24Å; V697-G700 VanDerWaalsContact O-N 3.13Å; V698-G700 PolarHBondContact O-N 3.27Å
701	K	75.4	Confident	80.4	Confident	134 Å²	134	64 Å²	64	58%	0.583	34%	0.343	S	S	*	.	S	Bend	trans	-79.7	-28.8	178.1	-63.4	-177.6	-179.8	-178.4	0	112.1	E696 L699	E696-K701 HydrophobicContact CB-CB 4.34Å; E696-K701 PolarHBondContact O-N 3.14Å; L699-K701 HydrophobicContact CB-CD 4.34Å; L699-K701 HydrophobicContact CB-CG 4.12Å; L699-K701 PolarHBondContact O-N 2.93Å
702	L	77.2	Confident	80	Confident	19 Å²	19	68.8 Å²	68.8	10%	0.099	36%	0.361	C	S	.	.	S	Bend	trans	-119.1	121.5	176.8	-178.6	63.1	0	0	0	110.5	D693 E696 V697 P704 A707	D693-L702 HydrophobicContact CB-CD2 4.18Å; E696-L702 HydrophobicContact CB-CB 3.56Å; E696-L702 HydrophobicContact CB-CD2 4.36Å; E696-L702 PolarHBondContact O-N 3.05Å; V697-L702 HydrophobicContact CG2-CB 4.21Å; V697-L702 HydrophobicContact CG2-CD2 4.15Å; V697-L702 HydrophobicContact CG2-CG 4.2Å; L702-P704 WeakPolarHBondContact O-CD 3.38Å; L702-A707 HydrophobicContact CD1-CB 4.41Å; L702-A707 HydrophobicContact CD2-CB 3.81Å; L702-A707 HydrophobicContact CG-CB 3.99Å
703	D	82.7	Confident	80	Confident	69 Å²	69	65.1 Å²	65.1	37%	0.369	34%	0.344	S	S	.	.			trans	-70.1	125.4	174.8	177	-92	0	0	0	110.7	Q705 K706 A707	D703-Q705 VanDerWaalsContact C-N 3.3Å; D703-Q705 PolarHBondContact O-N 3.39Å; D703-Q705 WeakPolarHBondContact OD1-CA 3.26Å; D703-Q705 VanDerWaalsContact OD1-CB 3.3Å; D703-Q705 WeakPolarHBondContact OD1-CB 3.41Å; D703-Q705 PolarHBondContact OD1-N 3.02Å; D703-K706 HydrophobicContact CB-CB 4.15Å; D703-K706 HydrophobicContact CB-CD 4.12Å; D703-K706 HydrophobicContact CB-CG 4.08Å; D703-K706 PolarHBondContact O-N 3.12Å; D703-K706 PolarHBondContact OD1-N 3.48Å; D703-A707 PolarHBondContact O-N 2.94Å
704	P	79.2	Confident	80.1	Confident	22 Å²	22	70.1 Å²	70.1	14%	0.143	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-29.2	-176.3	-30.3	40.7	0	0	0	115	V697 L702 F708	V697-P704 HydrophobicContact CB-CG 4.47Å; V697-P704 HydrophobicContact CG1-CG 3.62Å; V697-P704 HydrophobicContact CG2-CG 4.15Å; L702-P704 WeakPolarHBondContact O-CD 3.38Å; P704-F708 WeakPolarHBondContact O-CB 3.36Å; P704-F708 PolarHBondContact O-N 3.3Å
705	Q	78.4	Confident	80	Confident	103 Å²	103	70.6 Å²	70.6	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-43.2	176.2	-62.6	-177.6	-11.9	0	0	110	D703 A707 F708 F709	D703-Q705 VanDerWaalsContact C-N 3.3Å; D703-Q705 PolarHBondContact O-N 3.39Å; D703-Q705 WeakPolarHBondContact OD1-CA 3.26Å; D703-Q705 VanDerWaalsContact OD1-CB 3.3Å; D703-Q705 WeakPolarHBondContact OD1-CB 3.41Å; D703-Q705 PolarHBondContact OD1-N 3.02Å; Q705-A707 VanDerWaalsContact C-N 3.35Å; Q705-A707 PolarHBondContact O-N 3.24Å; Q705-F708 PolarHBondContact O-N 2.79Å; Q705-F709 WeakPolarHBondContact O-CD2 3.39Å; Q705-F709 PolarHBondContact O-N 3.25Å
706	K	78.8	Confident	80.2	Confident	152 Å²	152	77.2 Å²	77.2	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-62.5	-40.5	173.2	-67.4	-174.6	-178.2	178.5	0	112.1	D703 F708 F709 S710	D703-K706 HydrophobicContact CB-CB 4.15Å; D703-K706 HydrophobicContact CB-CD 4.12Å; D703-K706 HydrophobicContact CB-CG 4.08Å; D703-K706 PolarHBondContact O-N 3.12Å; D703-K706 PolarHBondContact OD1-N 3.48Å; K706-F708 VanDerWaalsContact C-N 3.29Å; K706-F708 PolarHBondContact O-N 3.4Å; K706-F709 PolarHBondContact O-N 3.16Å; K706-S710 WeakPolarHBondContact O-CB 3.26Å; K706-S710 PolarHBondContact O-N 2.63Å; K706-S710 PolarHBondContact O-OG 3.08Å
707	A	81	Confident	80.5	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-61	-39.2	174.7	0	0	0	0	0	111.6	L702 D703 Q705 S710 G711 R712 L713	L702-A707 HydrophobicContact CD1-CB 4.41Å; L702-A707 HydrophobicContact CD2-CB 3.81Å; L702-A707 HydrophobicContact CG-CB 3.99Å; D703-A707 PolarHBondContact O-N 2.94Å; Q705-A707 VanDerWaalsContact C-N 3.35Å; Q705-A707 PolarHBondContact O-N 3.24Å; A707-S710 WeakPolarHBondContact CA-OG 3.46Å; A707-S710 PolarHBondContact O-OG 3.21Å; A707-G711 PolarHBondContact O-N 3.21Å; A707-R712 HydrophobicContact CB-CB 4.47Å; A707-R712 PolarHBondContact O-N 3.11Å; A707-L713 HydrophobicContact CB-CB 3.74Å; A707-L713 HydrophobicContact CB-CD1 4.46Å; A707-L713 PolarHBondContact O-N 3.37Å
708	F	81.2	Confident	80.8	Confident	71 Å²	71	79.3 Å²	79.3	31%	0.311	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-50.1	176.4	-175.8	-100.5	0	0	0	112.6	P704 Q705 K706 S710 G711 L713 A715 I719	P704-F708 WeakPolarHBondContact O-CB 3.36Å; P704-F708 PolarHBondContact O-N 3.3Å; Q705-F708 PolarHBondContact O-N 2.79Å; K706-F708 VanDerWaalsContact C-N 3.29Å; K706-F708 PolarHBondContact O-N 3.4Å; F708-S710 VanDerWaalsContact C-N 3.29Å; F708-S710 PolarHBondContact O-N 3.21Å; F708-G711 PolarHBondContact O-N 2.98Å; F708-G711 VanDerWaalsContact O-N 3.08Å; F708-L713 WeakPolarHBondContact CA-O 3.34Å; F708-L713 HydrophobicContact CB-CD2 4.25Å; F708-L713 HydrophobicContact CD2-CD2 3.87Å; F708-A715 HydrophobicContact CD2-CB 4.14Å; F708-A715 HydrophobicContact CE2-CB 3.77Å; F708-I719 HydrophobicContact CE2-CD1 4.31Å; F708-I719 HydrophobicContact CZ-CD1 3.89Å
709	F	74.4	Confident	80.8	Confident	173 Å²	173	79.9 Å²	79.9	76%	0.759	42%	0.421	S	S	*	.	H	α-helix	trans	-67.4	-26.7	-179.3	-74.5	-64.8	0	0	0	113.8	Q705 K706 G711	Q705-F709 WeakPolarHBondContact O-CD2 3.39Å; Q705-F709 PolarHBondContact O-N 3.25Å; K706-F709 PolarHBondContact O-N 3.16Å; F709-G711 VanDerWaalsContact C-N 3.3Å
710	S	76.9	Confident	81.1	Confident	76 Å²	76	80.8 Å²	80.8	53%	0.531	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	174.2	57.7	0	0	0	0	113.8	K706 A707 F708 R712	K706-S710 WeakPolarHBondContact O-CB 3.26Å; K706-S710 PolarHBondContact O-N 2.63Å; K706-S710 PolarHBondContact O-OG 3.08Å; A707-S710 WeakPolarHBondContact CA-OG 3.46Å; A707-S710 PolarHBondContact O-OG 3.21Å; F708-S710 VanDerWaalsContact C-N 3.29Å; F708-S710 PolarHBondContact O-N 3.21Å; S710-R712 PolarHBondContact O-N 3.4Å
711	G	78.7	Confident	81.5	Confident	41 Å²	41	78.9 Å²	78.9	42%	0.423	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.4	-179.4	0	0	0	0	0	115.2	A707 F708 F709	A707-G711 PolarHBondContact O-N 3.21Å; F708-G711 PolarHBondContact O-N 2.98Å; F708-G711 VanDerWaalsContact O-N 3.08Å; F709-G711 VanDerWaalsContact C-N 3.3Å
712	R	82.4	Confident	81.5	Confident	102 Å²	102	73.7 Å²	73.7	39%	0.385	38%	0.378	S	S	.	.	S	Bend	trans	-67.9	-33.3	174.2	-76.7	-179.8	69.6	-175.8	2.2	112.6	D693 E696 A707 S710	D693-R712 VanDerWaalsContact CG-NH2 3.31Å; D693-R712 IonicContact OD1-CZ 3Å; D693-R712 IonicContact OD1-NE 3.38Å; D693-R712 IonicContact OD1-NH2 2.78Å; D693-R712 PolarHBondContact OD1-NH2 2.84Å; D693-R712 WeakPolarHBondContact OD2-CB 3.44Å; D693-R712 IonicContact OD2-CZ 3.35Å; D693-R712 IonicContact OD2-NE 3.16Å; D693-R712 PolarHBondContact OD2-NE 3.37Å; D693-R712 IonicContact OD2-NH2 2.68Å; E696-R712 IonicContact OE2-CZ 3.74Å; E696-R712 IonicContact OE2-NH2 3.39Å; E696-R712 PolarHBondContact OE2-NH2 3Å; A707-R712 HydrophobicContact CB-CB 4.47Å; A707-R712 PolarHBondContact O-N 3.11Å; S710-R712 PolarHBondContact O-N 3.4Å
713	L	88.1	Confident	81.3	Confident	17 Å²	17	76.2 Å²	76.2	9%	0.089	39%	0.389	C	S	.	.	S	Bend	trans	-114.9	131.5	170	-175.1	160.3	0	0	0	108.9	I687 I688 L689 A707 F708 A715	I687-L713 HydrophobicContact CG2-CD1 4.2Å; I687-L713 HydrophobicContact CG2-CD2 3.96Å; I687-L713 HydrophobicContact CG2-CG 4Å; I688-L713 CarbonylContact O-C 3.53Å; L689-L713 HydrophobicContact CB-CB 4.39Å; L689-L713 HydrophobicContact CB-CG 4.36Å; L689-L713 HydrophobicContact CD1-CD1 3.95Å; L689-L713 HydrophobicContact CD1-CG 4.35Å; A707-L713 HydrophobicContact CB-CB 3.74Å; A707-L713 HydrophobicContact CB-CD1 4.46Å; A707-L713 PolarHBondContact O-N 3.37Å; F708-L713 WeakPolarHBondContact CA-O 3.34Å; F708-L713 HydrophobicContact CB-CD2 4.25Å; F708-L713 HydrophobicContact CD2-CD2 3.87Å; L713-A715 HydrophobicContact CD2-CB 4.33Å
714	K	89.1	Confident	81	Confident	127 Å²	127	77.6 Å²	77.6	55%	0.552	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.1	173.7	-62.3	176.8	-177.6	174.7	0	109.1	I687 I688	I687-K714 CarbonylContact C-O 3.46Å; I687-K714 WeakPolarHBondContact CA-O 3.2Å; I688-K714 HydrophobicContact CB-CB 4.26Å; I688-K714 PolarHBondContact N-O 3.32Å; I688-K714 PolarHBondContact O-N 3.02Å
715	A	87.8	Confident	80.7	Confident	16 Å²	16	76.8 Å²	76.8	13%	0.132	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	176	0	0	0	0	0	110	T686 F708 L713 I719	T686-A715 CarbonylContact O-C 3.57Å; T686-A715 VanDerWaalsContact O-CA 3.26Å; T686-A715 WeakPolarHBondContact O-CA 3.48Å; F708-A715 HydrophobicContact CD2-CB 4.14Å; F708-A715 HydrophobicContact CE2-CB 3.77Å; L713-A715 HydrophobicContact CD2-CB 4.33Å; A715-I719 HydrophobicContact CB-CD1 4.43Å; A715-I719 HydrophobicContact CB-CG1 4.13Å; A715-I719 HydrophobicContact CB-CG2 4.48Å
716	R	87.8	Confident	80.3	Confident	173 Å²	173	75.6 Å²	75.6	65%	0.653	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.8	176.9	-61.8	-177.6	180	-177	-0.4	109.5	T685 T686	T685-R716 CarbonylContact C-O 3.54Å; T685-R716 WeakPolarHBondContact CA-O 3.37Å; T686-R716 PolarHBondContact N-O 3.28Å; T686-R716 PolarHBondContact O-N 3.25Å
717	G	87.3	Confident	79.4	Confident	61 Å²	61	73.8 Å²	73.8	63%	0.629	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	88.5	-149	-174.2	0	0	0	0	0	112.3	I719	G717-I719 PolarHBondContact O-N 2.79Å; G717-I719 VanDerWaalsContact O-N 3.12Å
718	N	84.9	Confident	78.4	Confident	86 Å²	86	74.7 Å²	74.7	46%	0.46	38%	0.38	S	S	.	.			trans	-82.8	89.4	-177.4	-173	-15	0	0	0	111.5	D684 T685 M720 L721	D684-N718 PolarHBondContact O-N 3.22Å; T685-N718 PolarHBondContact OG1-O 3.47Å; N718-M720 PolarHBondContact O-N 3.34Å; N718-M720 PolarHBondContact OD1-N 2.79Å; N718-L721 HydrophobicContact CB-CD1 3.85Å; N718-L721 HydrophobicContact CB-CG 4.18Å; N718-L721 WeakPolarHBondContact O-CB 3.13Å; N718-L721 PolarHBondContact O-N 3.26Å
719	I	78.9	Confident	77.4	Confident	65 Å²	65	73.6 Å²	73.6	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-24.6	-174.5	-56.2	173.4	0	0	0	112.4	F708 A715 G717 L721 S722	F708-I719 HydrophobicContact CE2-CD1 4.31Å; F708-I719 HydrophobicContact CZ-CD1 3.89Å; A715-I719 HydrophobicContact CB-CD1 4.43Å; A715-I719 HydrophobicContact CB-CG1 4.13Å; A715-I719 HydrophobicContact CB-CG2 4.48Å; G717-I719 PolarHBondContact O-N 2.79Å; G717-I719 VanDerWaalsContact O-N 3.12Å; I719-L721 PolarHBondContact O-N 3.34Å; I719-S722 PolarHBondContact O-N 3.02Å; I719-S722 VanDerWaalsContact O-N 3.14Å; I719-S722 PolarHBondContact O-OG 3.27Å
720	M	78.3	Confident	76.8	Confident	121 Å²	121	73 Å²	73	60%	0.596	38%	0.375	S	S	*	.	H	α-helix	trans	-65.7	-23.3	176.6	-64.1	-56.8	-63.5	0	0	112.4	N718	N718-M720 PolarHBondContact O-N 3.34Å; N718-M720 PolarHBondContact OD1-N 2.79Å
721	L	82.8	Confident	75.6	Confident	28 Å²	28	75.3 Å²	75.3	15%	0.147	38%	0.381	C	S	.	.	H	α-helix	trans	-73.1	-28.7	175.8	-64.5	173.9	0	0	0	112.4	A647 F649 D684 N718 I719 Q723 K724 L725	A647-L721 HydrophobicContact CB-CD1 3.85Å; A647-L721 HydrophobicContact CB-CD2 4.46Å; F649-L721 HydrophobicContact CE1-CB 3.91Å; F649-L721 WeakPolarHBondContact CE1-O 3.44Å; F649-L721 HydrophobicContact CZ-CB 3.92Å; F649-L721 WeakPolarHBondContact CZ-O 3.35Å; D684-L721 HydrophobicContact CB-CD1 3.84Å; N718-L721 HydrophobicContact CB-CD1 3.85Å; N718-L721 HydrophobicContact CB-CG 4.18Å; N718-L721 WeakPolarHBondContact O-CB 3.13Å; N718-L721 PolarHBondContact O-N 3.26Å; I719-L721 PolarHBondContact O-N 3.34Å; L721-Q723 VanDerWaalsContact C-N 3.28Å; L721-Q723 PolarHBondContact O-N 3.33Å; L721-K724 PolarHBondContact O-N 3.2Å; L721-L725 PolarHBondContact O-N 2.87Å; L721-L725 VanDerWaalsContact O-N 3.09Å
722	S	75.1	Confident	74.3	Confident	25 Å²	25	76.8 Å²	76.8	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-69.5	-27.3	177	64.9	0	0	0	0	112.4	I719 L725 Q726	I719-S722 PolarHBondContact O-N 3.02Å; I719-S722 VanDerWaalsContact O-N 3.14Å; I719-S722 PolarHBondContact O-OG 3.27Å; S722-L725 PolarHBondContact O-N 3.22Å; S722-Q726 WeakPolarHBondContact O-CB 3.33Å; S722-Q726 PolarHBondContact O-N 2.95Å
723	Q	73.2	Confident	72.6	Confident	71 Å²	71	74 Å²	74	33%	0.332	37%	0.374	S	S	.	.	H	α-helix	trans	-67.8	-39.2	172.5	-63.9	-178.3	-6.5	0	0	112	L721 Q726 M727	L721-Q723 VanDerWaalsContact C-N 3.28Å; L721-Q723 PolarHBondContact O-N 3.33Å; Q723-Q726 PolarHBondContact O-N 3.27Å; Q723-M727 PolarHBondContact O-N 3.14Å
724	K	76.9	Confident	70.4	Confident	99 Å²	99	81.6 Å²	81.6	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-43.5	173.1	-80.8	-173.3	175.3	-176.1	0	111.9	L721 Q726 M727 I728	L721-K724 PolarHBondContact O-N 3.2Å; K724-Q726 VanDerWaalsContact C-N 3.32Å; K724-Q726 PolarHBondContact O-N 3.04Å; K724-M727 HydrophobicContact CG-CE 4.36Å; K724-M727 PolarHBondContact O-N 3.16Å; K724-I728 PolarHBondContact O-N 3.24Å
725	L	72.7	Confident	67.7	Low	5 Å²	5	83.1 Å²	83.1	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-59.8	-44	176	-177.9	66.5	0	0	0	111.2	F649 W651 L667 L721 S722 I728 L729	F649-L725 HydrophobicContact CB-CD2 4.21Å; F649-L725 HydrophobicContact CD1-CD2 3.76Å; F649-L725 HydrophobicContact CD2-CD1 4.25Å; F649-L725 HydrophobicContact CD2-CD2 3.82Å; F649-L725 HydrophobicContact CD2-CG 4.48Å; F649-L725 HydrophobicContact CE1-CB 4.07Å; F649-L725 HydrophobicContact CE1-CD2 4.08Å; F649-L725 HydrophobicContact CE2-CB 4.13Å; F649-L725 HydrophobicContact CE2-CD1 4.13Å; F649-L725 HydrophobicContact CE2-CD2 4.11Å; F649-L725 HydrophobicContact CE2-CG 4.36Å; F649-L725 HydrophobicContact CG-CD2 3.64Å; F649-L725 HydrophobicContact CZ-CB 3.81Å; F649-L725 HydrophobicContact CZ-CD2 4.24Å; F649-L725 HydrophobicContact CZ-CG 4.45Å; W651-L725 HydrophobicContact CZ2-CD2 3.82Å; L667-L725 HydrophobicContact CD1-CD1 3.6Å; L721-L725 PolarHBondContact O-N 2.87Å; L721-L725 VanDerWaalsContact O-N 3.09Å; S722-L725 PolarHBondContact O-N 3.22Å; L725-I728 PolarHBondContact O-N 2.91Å; L725-L729 HydrophobicContact CD1-CD1 3.91Å; L725-L729 HydrophobicContact CD1-CG 4.11Å; L725-L729 HydrophobicContact CD2-CD1 4.35Å; L725-L729 HydrophobicContact CG-CD1 3.78Å; L725-L729 HydrophobicContact CG-CG 4.31Å; L725-L729 WeakPolarHBondContact O-CB 3.36Å; L725-L729 WeakPolarHBondContact O-CG 3.24Å; L725-L729 PolarHBondContact O-N 3.28Å
726	Q	69.6	Low	66.7	Low	78 Å²	78	86.5 Å²	86.5	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-44.1	179.4	-171.3	-174.3	-4	0	0	112.9	S722 Q723 K724 I728 K730	S722-Q726 WeakPolarHBondContact O-CB 3.33Å; S722-Q726 PolarHBondContact O-N 2.95Å; Q723-Q726 PolarHBondContact O-N 3.27Å; K724-Q726 VanDerWaalsContact C-N 3.32Å; K724-Q726 PolarHBondContact O-N 3.04Å; Q726-I728 VanDerWaalsContact C-N 3.3Å; Q726-I728 PolarHBondContact O-N 3.46Å; Q726-K730 VanDerWaalsContact O-CB 3.31Å; Q726-K730 WeakPolarHBondContact O-CB 3.49Å; Q726-K730 PolarHBondContact O-N 3.14Å
727	M	61	Low	65.6	Low	114 Å²	114	81.9 Å²	81.9	56%	0.562	42%	0.422	S	S	*	.	H	α-helix	trans	-60	-42.7	178.4	-75.7	-175.6	-73.2	0	0	111.6	Q723 K724 K730 D731	Q723-M727 PolarHBondContact O-N 3.14Å; K724-M727 HydrophobicContact CG-CE 4.36Å; K724-M727 PolarHBondContact O-N 3.16Å; M727-K730 PolarHBondContact O-N 3.09Å; M727-D731 PolarHBondContact O-N 3.42Å
728	I	59.8	Low	64.4	Low	19 Å²	19	83.1 Å²	83.1	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-75.4	-44.3	-178.7	-71.3	169.5	0	0	0	110.9	V641 K644 V645 K724 L725 Q726 K730 D731 Y732	V641-I728 HydrophobicContact CG1-CG2 4.02Å; V641-I728 HydrophobicContact CG2-CG2 4.01Å; K644-I728 HydrophobicContact CB-CD1 3.62Å; K644-I728 HydrophobicContact CD-CD1 4.12Å; V645-I728 HydrophobicContact CG2-CD1 3.44Å; V645-I728 VanDerWaalsContact CG2-CD1 3.44Å; K724-I728 PolarHBondContact O-N 3.24Å; L725-I728 PolarHBondContact O-N 2.91Å; Q726-I728 VanDerWaalsContact C-N 3.3Å; Q726-I728 PolarHBondContact O-N 3.46Å; I728-K730 PolarHBondContact O-N 2.95Å; I728-D731 PolarHBondContact O-N 3.3Å; I728-Y732 HydrophobicContact CG2-CD2 3.72Å; I728-Y732 HydrophobicContact CG2-CE2 3.88Å; I728-Y732 WeakPolarHBondContact O-CD2 3.45Å; I728-Y732 PolarHBondContact O-N 3.45Å; I728-Y732 VanDerWaalsContact O-N 3.08Å
729	L	60	Low	63.1	Low	48 Å²	48	82.9 Å²	82.9	25%	0.251	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-31.4	173.4	-70.7	176.8	0	0	0	111.5	I630 L725 D731 Y732 A733	I630-L729 HydrophobicContact CG1-CD2 4.48Å; I630-L729 HydrophobicContact CG2-CD2 4.31Å; L725-L729 HydrophobicContact CD1-CD1 3.91Å; L725-L729 HydrophobicContact CD1-CG 4.11Å; L725-L729 HydrophobicContact CD2-CD1 4.35Å; L725-L729 HydrophobicContact CG-CD1 3.78Å; L725-L729 HydrophobicContact CG-CG 4.31Å; L725-L729 WeakPolarHBondContact O-CB 3.36Å; L725-L729 WeakPolarHBondContact O-CG 3.24Å; L725-L729 PolarHBondContact O-N 3.28Å; L729-D731 VanDerWaalsContact C-N 3.33Å; L729-D731 PolarHBondContact O-N 3.33Å; L729-Y732 CarbonylContact O-C 3.59Å; L729-Y732 PolarHBondContact O-N 2.91Å; L729-A733 HydrophobicContact CB-CB 4.49Å; L729-A733 WeakPolarHBondContact O-CA 3.48Å; L729-A733 WeakPolarHBondContact O-CB 3.41Å; L729-A733 PolarHBondContact O-N 3.23Å
730	K	61.3	Low	62.2	Low	162 Å²	162	84.1 Å²	84.1	70%	0.704	41%	0.412	S	S	*	.	H	α-helix	trans	-65.3	-35.2	173.7	-167.1	175.8	-178	178.3	0	113.1	Q726 M727 I728	Q726-K730 VanDerWaalsContact O-CB 3.31Å; Q726-K730 WeakPolarHBondContact O-CB 3.49Å; Q726-K730 PolarHBondContact O-N 3.14Å; M727-K730 PolarHBondContact O-N 3.09Å; I728-K730 PolarHBondContact O-N 2.95Å
731	D	51.3	Low	61.1	Low	123 Å²	123	81.6 Å²	81.6	66%	0.658	40%	0.4	S	S	*	.	H	α-helix	trans	-73.9	-27.7	177.3	-67.1	-21.4	0	0	0	112.4	M727 I728 L729	M727-D731 PolarHBondContact O-N 3.42Å; I728-D731 PolarHBondContact O-N 3.3Å; L729-D731 VanDerWaalsContact C-N 3.33Å; L729-D731 PolarHBondContact O-N 3.33Å
732	Y	52.3	Low	59.5	Low	72 Å²	72	85.4 Å²	85.4	28%	0.282	42%	0.418	S	S	.	.	H	α-helix	trans	-118	-0.8	-175.2	-59.7	-78.4	0	0	0	115.6	R633 V637 V641 I728 L729	R633-Y732 PolarHBondContact NH1-O 3.02Å; V637-Y732 HydrophobicContact CG1-CD1 4.36Å; V637-Y732 HydrophobicContact CG1-CE1 4.29Å; V637-Y732 HydrophobicContact CG2-CD1 4.44Å; V641-Y732 HydrophobicContact CG2-CE2 4.45Å; I728-Y732 HydrophobicContact CG2-CD2 3.72Å; I728-Y732 HydrophobicContact CG2-CE2 3.88Å; I728-Y732 WeakPolarHBondContact O-CD2 3.45Å; I728-Y732 PolarHBondContact O-N 3.45Å; I728-Y732 VanDerWaalsContact O-N 3.08Å; L729-Y732 CarbonylContact O-C 3.59Å; L729-Y732 PolarHBondContact O-N 2.91Å
733	A	46.4	Very low	58.3	Low	45 Å²	45	90.1 Å²	90.1	37%	0.372	44%	0.437	S	S	.	.			trans	-118.9	39	-179.4	0	0	0	0	0	112.2	L729 L735	L729-A733 HydrophobicContact CB-CB 4.49Å; L729-A733 WeakPolarHBondContact O-CA 3.48Å; L729-A733 WeakPolarHBondContact O-CB 3.41Å; L729-A733 PolarHBondContact O-N 3.23Å; A733-L735 PolarHBondContact O-N 3.39Å
734	K	41.7	Very low	57.1	Low	176 Å²	176	91.7 Å²	91.7	77%	0.765	45%	0.445	S	S	*	.			trans	-66.6	97.6	147.6	-70.5	-174.9	-179.6	179.6	0	106.6	R633	R633-K734 PolarHBondContact NH1-O 3.13Å; R633-K734 PolarHBondContact NH2-O 3.31Å; R633-K734 VanDerWaalsContact NH2-O 3.14Å
735	L	32.3	Very low	55.3	Low	159 Å²	159	91 Å²	91	83%	0.832	45%	0.447	S	S	*	.			trans	-70.7	0	160.4	-95.3	160.6	0	0	0	108.4	E629 V698 A733	E629-L735 HydrophobicContact CG-CD2 4.22Å; V698-L735 HydrophobicContact CG1-CD1 4.38Å; A733-L735 PolarHBondContact O-N 3.39Å

Retrieved 735 of 735 residues in 234.3 ms (Link to these results)

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