A0A096N163_PAPAN Loading...

Cytosolic carboxypeptidase-like protein 5

Metallocarboxypeptidase that mediates deglutamylation of tubulin and non-tubulin target proteins. Catalyzes the removal of polyglutamate side chains present on the gamma-carboxyl group of glutamate residues within the C-terminal tail of alpha- and beta-tubulin. Cleaves alpha- and gamma-linked polyglutamate tubulin side-chain, as well as the branching point glutamate. Also catalyzes the removal of alpha-linked glutamate residues from the carboxy-terminus of alpha-tubulin. Mediates deglutamylation of nucleotidyltransferase CGAS, leading to CGAS antiviral defense response activation.

AlphaFold DB , UniProt , Accession A0A096N163, Species PAPAN (Papio anubis, Olive baboon), Gene AGBL5, Length 886 aa.

						>A0A096N163_PAPAN|A0A096N163|AGBL5
MELRCGGLLFSSRFDSGNLAHVEKVESLSSDGEGVGGGASALTSGIASSPDYEFNVWTRPDCAETEFENGNRSWFYFSVRGGTPGKLIKINIMNMNKQSKLYSQGMAPFVRTLPTRPRWERIRDRPTFEMTETQFVLSFVHRFLEGRGATTFFAFCYPFSYSDCQDLLNQLDQRFPENHPTHSSPLDTIYYHRELLCYSLDGLRVDLLTITSCHGLREDREPRLEQLFPDTSTPRPFRFAGKRIFFLSSRVHPGETPSSFVFNGFLDFILRPDDPRAQTLRRLFVFKLIPMLNPDGVVRGHYRTDSRGVNLNRQYLKPDAVLHPAIYGAKAVLLYHHVHSRLNSQSSSEHQPSPCLPPDAPVSDLEKANNLQNEAQCGHSADMDNAEAWKQTEPAEQKLNSVWIVPQQSAALEEPAPDTIPPKESGVAYYVDLHGHASKRGCFMYGNSFSDESTQVENMLYPKLISLNSAHFDFQGCNFSEKNMYARDRRDGQSKEGSGRVAIYKASGIIHSYTLECNYNTGRSVNSIPAACHDNGRASPPPPPAFPSRYTVELFEQVGRAMAIAALDMAECNPWPRIVLSEHSSLTNLRAWMLKHVRNSRGLSSTLNVGVSKKRGPRTPPKSHNGLPVSCSENTLSRARSFSTGTSAGGSSSSQQNSPQMKNSPSFPFHGSRPAGLPGLGSSTQKVTHRVLGPVREPRSQDRRQRQQPLTHRPAGSLAPSPAPTSSGPASSHKLGSCLLPDSLNIPGSGCSLLSSGDKPEAVMVIGKGLLGTGARMPCIKTRLQARPRLGRGSPPTRRGMKGSSGPTSPTPRTRESSELEPGPCSAKPGLPQARPPRPRSAPAFSPISCSLSDSPSWNCYSGGPLGQPEVCFVPKSPPLTISPRV
					

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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	89.1	Confident	95	Very high	41 Å²	41	49.6 Å²	49.6	20%	0.202	28%	0.281	C	S	.	.				0	153.8	0	170.7	-86.4	-141	0	0	108.9	L3 S11 S12 R13 L19 V22	M1-L3 HydrophobicContact CE-CB 3.56Å; M1-L3 HydrophobicContact CE-CD2 3.6Å; M1-L3 HydrophobicContact CE-CG 4.23Å; M1-L3 HydrophobicContact SD-CB 3.81Å; M1-S11 WeakPolarHBondContact O-CA 3.47Å; M1-S12 PolarHBondContact N-OG 2.93Å; M1-S12 PolarHBondContact O-N 2.83Å; M1-S12 PolarHBondContact O-OG 3.3Å; M1-R13 PolarHBondContact O-N 2.68Å; M1-L19 WeakPolarHBondContact CB-O 3.34Å; M1-L19 HydrophobicContact CE-CD2 4.13Å; M1-L19 HydrophobicContact CE-CG 4.25Å; M1-L19 HydrophobicContact SD-CD2 3.95Å; M1-L19 HydrophobicContact SD-CG 4.28Å; M1-V22 HydrophobicContact CE-CB 4.45Å; M1-V22 HydrophobicContact CE-CG2 3.89Å
2	E	94.3	Very high	95.2	Very high	90 Å²	90	46.2 Å²	46.2	42%	0.421	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	131.5	169.5	-177.8	165.5	-144.9	0	0	109.5	L9 F10 R13	E2-L9 HydrophobicContact CG-CD1 3.89Å; E2-F10 CarbonylContact C-O 3.55Å; E2-F10 WeakPolarHBondContact CA-O 3.3Å; E2-R13 HydrophobicContact CB-CG 4.07Å; E2-R13 VanDerWaalsContact CB-NE 3.31Å; E2-R13 WeakPolarHBondContact OE2-CD 3.43Å; E2-R13 IonicContact OE2-NE 2.66Å; E2-R13 PolarHBondContact OE2-NE 2.89Å
3	L	95.4	Very high	95.3	Very high	62 Å²	62	56.4 Å²	56.4	33%	0.325	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	141.8	-168.6	178.2	61.4	0	0	0	111	M1 F10 V22	M1-L3 HydrophobicContact CE-CB 3.56Å; M1-L3 HydrophobicContact CE-CD2 3.6Å; M1-L3 HydrophobicContact CE-CG 4.23Å; M1-L3 HydrophobicContact SD-CB 3.81Å; L3-F10 PolarHBondContact N-O 3.16Å; L3-F10 PolarHBondContact O-N 2.66Å; L3-V22 HydrophobicContact CD2-CB 4.22Å
4	R	96.1	Very high	95.4	Very high	186 Å²	186	56.9 Å²	56.9	70%	0.702	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	165.2	-70.2	-177.4	179	-88.1	3.4	109.9	L8 L9	R4-L8 CarbonylContact C-O 3.58Å; R4-L8 VanDerWaalsContact CA-O 3.25Å; R4-L8 WeakPolarHBondContact CA-O 3.35Å; R4-L9 HydrophobicContact CG-CB 4.46Å; R4-L9 HydrophobicContact CG-CD1 3.77Å
5	C	94.9	Very high	95.4	Very high	23 Å²	23	55.1 Å²	55.1	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	135.1	178.5	-167	0	0	0	0	109.9	G7 L8 F10 V22 F54	C5-G7 PolarHBondContact O-N 3.19Å; C5-G7 VanDerWaalsContact O-N 3.16Å; C5-L8 PolarHBondContact N-O 3.14Å; C5-L8 PolarHBondContact O-N 3.47Å; C5-F10 HydrophobicContact CB-CD2 4.42Å; C5-F10 HydrophobicContact CB-CE2 4.39Å; C5-V22 HydrophobicContact CB-CG1 4.06Å; C5-F54 HydrophobicContact CB-CE1 4.11Å
6	G	92	Very high	95.5	Very high	33 Å²	33	51.8 Å²	51.8	34%	0.34	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.7	179.2	0	0	0	0	0	115.3	L8	G6-L8 VanDerWaalsContact C-N 3.25Å; G6-L8 PolarHBondContact O-N 3.39Å
7	G	92.7	Very high	95.7	Very high	68 Å²	68	49.4 Å²	49.4	70%	0.701	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-12.4	-174.7	0	0	0	0	0	115.2	C5	C5-G7 PolarHBondContact O-N 3.19Å; C5-G7 VanDerWaalsContact O-N 3.16Å
8	L	96.5	Very high	95.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	154.4	179.7	-50.7	-171.8	0	0	0	111.6	R4 C5 G6 F10 Y52 F54 V79 G81 I88 F143	R4-L8 CarbonylContact C-O 3.58Å; R4-L8 VanDerWaalsContact CA-O 3.25Å; R4-L8 WeakPolarHBondContact CA-O 3.35Å; C5-L8 PolarHBondContact N-O 3.14Å; C5-L8 PolarHBondContact O-N 3.47Å; G6-L8 VanDerWaalsContact C-N 3.25Å; G6-L8 PolarHBondContact O-N 3.39Å; L8-F10 HydrophobicContact CB-CD2 4.31Å; L8-F10 HydrophobicContact CB-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CE2 4.4Å; L8-F10 HydrophobicContact CD1-CZ 4.44Å; L8-Y52 HydrophobicContact CD1-CD1 4.07Å; L8-Y52 HydrophobicContact CD1-CE1 4.36Å; L8-Y52 HydrophobicContact CD1-CG 4.26Å; L8-Y52 HydrophobicContact CD2-CD1 4.24Å; L8-Y52 HydrophobicContact CD2-CE1 3.72Å; L8-Y52 HydrophobicContact CG-CD1 4.13Å; L8-Y52 HydrophobicContact CG-CE1 4.08Å; L8-F54 HydrophobicContact CB-CZ 4.5Å; L8-F54 HydrophobicContact CD1-CE2 3.54Å; L8-F54 HydrophobicContact CD1-CZ 3.85Å; L8-F54 HydrophobicContact CG-CE2 4.28Å; L8-F54 HydrophobicContact CG-CZ 4.1Å; L8-V79 HydrophobicContact CB-CG1 4.04Å; L8-V79 HydrophobicContact CD1-CG1 3.7Å; L8-V79 HydrophobicContact CG-CG1 4.46Å; L8-G81 WeakPolarHBondContact CD2-O 3.28Å; L8-I88 HydrophobicContact CD1-CD1 3.69Å; L8-F143 HydrophobicContact CD1-CE2 4.23Å; L8-F143 HydrophobicContact CD1-CZ 3.97Å
9	L	97.3	Very high	95.9	Very high	29 Å²	29	44.6 Å²	44.6	15%	0.152	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.7	169.3	177	69	0	0	0	109.2	E2 R4 V79 R80	E2-L9 HydrophobicContact CG-CD1 3.89Å; R4-L9 HydrophobicContact CG-CB 4.46Å; R4-L9 HydrophobicContact CG-CD1 3.77Å; L9-V79 CarbonylContact O-C 3.58Å; L9-V79 WeakPolarHBondContact O-CA 3.45Å; L9-R80 HydrophobicContact CB-CB 4.39Å; L9-R80 PolarHBondContact N-O 3.14Å; L9-R80 PolarHBondContact O-N 2.58Å
10	F	98.4	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.2	172.2	-69.9	-102.4	0	0	0	109.6	E2 L3 C5 L8 L19 V22 F54 F77 S78 V79 I88 I90	E2-F10 CarbonylContact C-O 3.55Å; E2-F10 WeakPolarHBondContact CA-O 3.3Å; L3-F10 PolarHBondContact N-O 3.16Å; L3-F10 PolarHBondContact O-N 2.66Å; C5-F10 HydrophobicContact CB-CD2 4.42Å; C5-F10 HydrophobicContact CB-CE2 4.39Å; L8-F10 HydrophobicContact CB-CD2 4.31Å; L8-F10 HydrophobicContact CB-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CE2 4.4Å; L8-F10 HydrophobicContact CD1-CZ 4.44Å; F10-L19 HydrophobicContact CB-CD2 4.05Å; F10-L19 HydrophobicContact CD1-CD2 4.31Å; F10-V22 HydrophobicContact CB-CG2 4.23Å; F10-V22 HydrophobicContact CD1-CG1 4.24Å; F10-V22 HydrophobicContact CD1-CG2 3.83Å; F10-V22 HydrophobicContact CD2-CG1 3.98Å; F10-V22 HydrophobicContact CD2-CG2 4.46Å; F10-V22 HydrophobicContact CE1-CG1 4.04Å; F10-V22 HydrophobicContact CE1-CG2 4.3Å; F10-V22 HydrophobicContact CE2-CG1 3.76Å; F10-V22 HydrophobicContact CG-CG1 4.23Å; F10-V22 HydrophobicContact CG-CG2 3.94Å; F10-V22 HydrophobicContact CZ-CG1 3.8Å; F10-F54 HydrophobicContact CE2-CD1 4.1Å; F10-F54 HydrophobicContact CE2-CD2 4.38Å; F10-F54 AromaticContact CE2-CE1 3.85Å; F10-F54 HydrophobicContact CE2-CE1 3.85Å; F10-F54 HydrophobicContact CE2-CE2 4.11Å; F10-F54 HydrophobicContact CE2-CG 4.36Å; F10-F54 AromaticContact CE2-CZ 3.84Å; F10-F54 HydrophobicContact CE2-CZ 3.84Å; F10-F54 HydrophobicContact CZ-CB 4.41Å; F10-F54 AromaticContact CZ-CD1 3.96Å; F10-F54 HydrophobicContact CZ-CD1 3.96Å; F10-F54 AromaticContact CZ-CD2 3.69Å; F10-F54 HydrophobicContact CZ-CD2 3.69Å; F10-F54 HydrophobicContact CZ-CE1 4.08Å; F10-F54 AromaticContact CZ-CE2 3.77Å; F10-F54 HydrophobicContact CZ-CE2 3.77Å; F10-F54 AromaticContact CZ-CG 3.77Å; F10-F54 HydrophobicContact CZ-CG 3.77Å; F10-F54 AromaticContact CZ-CZ 3.98Å; F10-F54 HydrophobicContact CZ-CZ 3.98Å; F10-F77 HydrophobicContact CD1-CD2 4.3Å; F10-F77 HydrophobicContact CD1-CE2 4.3Å; F10-F77 HydrophobicContact CE1-CE2 4.38Å; F10-S78 CarbonylContact C-O 3.57Å; F10-S78 WeakPolarHBondContact CA-O 3.26Å; F10-V79 HydrophobicContact CD1-CG2 3.66Å; F10-V79 HydrophobicContact CE1-CG1 4.25Å; F10-V79 HydrophobicContact CE1-CG2 3.59Å; F10-V79 HydrophobicContact CE2-CG1 4.46Å; F10-V79 HydrophobicContact CG-CG2 4.46Å; F10-V79 HydrophobicContact CZ-CG1 4.2Å; F10-V79 HydrophobicContact CZ-CG2 4.34Å; F10-I88 HydrophobicContact CZ-CD1 4.47Å; F10-I90 HydrophobicContact CE1-CD1 4.19Å
11	S	98.2	Very high	95.9	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.7	174.2	-172.5	0	0	0	0	113.5	M1 R13 F14 F77 S78	M1-S11 WeakPolarHBondContact O-CA 3.47Å; S11-R13 PolarHBondContact OG-N 3.29Å; S11-F14 WeakPolarHBondContact O-CE1 3.21Å; S11-F77 CarbonylContact O-C 3.55Å; S11-S78 PolarHBondContact N-O 3.48Å; S11-S78 PolarHBondContact O-N 3.21Å; S11-S78 PolarHBondContact O-OG 3.12Å
12	S	97.8	Very high	96.4	Very high	8 Å²	8	44.1 Å²	44.1	6%	0.056	24%	0.235	C	C	.	.			trans	-128.3	27	168.7	59.2	0	0	0	0	110.9	M1 F14 L19	M1-S12 PolarHBondContact N-OG 2.93Å; M1-S12 PolarHBondContact O-N 2.83Å; M1-S12 PolarHBondContact O-OG 3.3Å; S12-F14 PolarHBondContact O-N 2.85Å; S12-F14 VanDerWaalsContact O-N 3.12Å; S12-L19 PolarHBondContact OG-O 3.05Å
13	R	95.9	Very high	96.5	Very high	179 Å²	179	44 Å²	44	68%	0.675	23%	0.234	S	C	*	.			trans	-82.2	64.8	173.4	-66.5	-171.7	-171.3	-129.7	3.7	111	M1 E2 S11	M1-R13 PolarHBondContact O-N 2.68Å; E2-R13 HydrophobicContact CB-CG 4.07Å; E2-R13 VanDerWaalsContact CB-NE 3.31Å; E2-R13 WeakPolarHBondContact OE2-CD 3.43Å; E2-R13 IonicContact OE2-NE 2.66Å; E2-R13 PolarHBondContact OE2-NE 2.89Å; S11-R13 PolarHBondContact OG-N 3.29Å
14	F	96.6	Very high	96.5	Very high	64 Å²	64	46.5 Å²	46.5	28%	0.281	24%	0.243	S	C	.	.	S	Bend	trans	-159	165.3	175.8	44.9	-104.4	0	0	0	110.5	S11 S12 S16 G17 Y76 F152	S11-F14 WeakPolarHBondContact O-CE1 3.21Å; S12-F14 PolarHBondContact O-N 2.85Å; S12-F14 VanDerWaalsContact O-N 3.12Å; F14-S16 PolarHBondContact O-N 2.91Å; F14-G17 WeakPolarHBondContact O-CA 3.3Å; F14-G17 PolarHBondContact O-N 3.38Å; F14-Y76 HydrophobicContact CD2-CD1 4.31Å; F14-Y76 HydrophobicContact CD2-CE1 4.03Å; F14-Y76 AromaticContact CE2-CD1 3.78Å; F14-Y76 HydrophobicContact CE2-CD1 3.78Å; F14-Y76 AromaticContact CE2-CD2 3.88Å; F14-Y76 HydrophobicContact CE2-CD2 3.88Å; F14-Y76 AromaticContact CE2-CE1 3.7Å; F14-Y76 HydrophobicContact CE2-CE1 3.7Å; F14-Y76 AromaticContact CE2-CE2 3.77Å; F14-Y76 HydrophobicContact CE2-CE2 3.77Å; F14-Y76 AromaticContact CE2-CG 3.86Å; F14-Y76 HydrophobicContact CE2-CG 3.86Å; F14-Y76 AromaticContact CE2-CZ 3.68Å; F14-Y76 HydrophobicContact CZ-CD2 4.31Å; F14-Y76 HydrophobicContact CZ-CE2 4.16Å; F14-F152 HydrophobicContact CE1-CD1 4.3Å; F14-F152 AromaticContact CE1-CE1 3.92Å; F14-F152 HydrophobicContact CE1-CE1 3.92Å; F14-F152 HydrophobicContact CZ-CD1 4.01Å; F14-F152 HydrophobicContact CZ-CE1 4.07Å
15	D	95.9	Very high	96.5	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.16	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	130.5	178.2	-174.2	-22	0	0	0	111.4	G17 S160 Y161 S162 V298	D15-G17 PolarHBondContact O-N 2.95Å; D15-G17 VanDerWaalsContact O-N 3.14Å; D15-S160 VanDerWaalsContact CG-CB 3.46Å; D15-S160 WeakPolarHBondContact OD1-CB 3.32Å; D15-Y161 PolarHBondContact OD1-N 3.11Å; D15-Y161 WeakPolarHBondContact OD2-CA 3.34Å; D15-Y161 WeakPolarHBondContact OD2-CB 3.21Å; D15-Y161 PolarHBondContact OD2-N 3.16Å; D15-S162 PolarHBondContact OD2-N 3.08Å; D15-S162 PolarHBondContact OD2-OG 3.14Å; D15-V298 WeakPolarHBondContact OD1-CA 3.32Å
16	S	97.4	Very high	96.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	9.8	-175.8	-143.6	0	0	0	0	115.2	F14 N18 W74 Y76 V297 V298	F14-S16 PolarHBondContact O-N 2.91Å; S16-N18 PolarHBondContact O-N 2.9Å; S16-W74 PolarHBondContact O-NE1 3.38Å; S16-Y76 WeakPolarHBondContact O-CB 3.03Å; S16-V297 WeakPolarHBondContact CA-O 3.49Å; S16-V297 VanDerWaalsContact CB-O 3.26Å; S16-V297 WeakPolarHBondContact CB-O 3.46Å; S16-V297 PolarHBondContact N-O 2.83Å; S16-V297 PolarHBondContact OG-O 3.29Å; S16-V298 PolarHBondContact N-O 3.09Å; S16-V298 VanDerWaalsContact N-O 3.1Å
17	G	98.1	Very high	95.2	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	27%	0.265	C	S	.	.			trans	-67.7	122.5	175.7	0	0	0	0	0	112.5	F14 D15 Y76	F14-G17 WeakPolarHBondContact O-CA 3.3Å; F14-G17 PolarHBondContact O-N 3.38Å; D15-G17 PolarHBondContact O-N 2.95Å; D15-G17 VanDerWaalsContact O-N 3.14Å; G17-Y76 CarbonylContact C-O 3.58Å; G17-Y76 VanDerWaalsContact CA-O 3.3Å; G17-Y76 WeakPolarHBondContact CA-O 3.44Å
18	N	98.1	Very high	93.4	Very high	5 Å²	5	54 Å²	54	3%	0.027	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-132	115.1	173	-173.6	-28.3	0	0	0	111.1	S16 R59 Y76 G300	S16-N18 PolarHBondContact O-N 2.9Å; N18-R59 PolarHBondContact ND2-O 3.24Å; N18-R59 PolarHBondContact OD1-N 2.75Å; N18-Y76 PolarHBondContact N-O 2.89Å; N18-Y76 PolarHBondContact O-N 2.83Å; N18-G300 WeakPolarHBondContact CB-O 3.25Å; N18-G300 PolarHBondContact ND2-O 3.48Å
19	L	97.5	Very high	91.1	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	30%	0.3	C	S	.	.			trans	-161.5	134.3	168.4	176.8	69.4	0	0	0	106.7	M1 F10 S12 V22 V56 F77	M1-L19 WeakPolarHBondContact CB-O 3.34Å; M1-L19 HydrophobicContact CE-CD2 4.13Å; M1-L19 HydrophobicContact CE-CG 4.25Å; M1-L19 HydrophobicContact SD-CD2 3.95Å; M1-L19 HydrophobicContact SD-CG 4.28Å; F10-L19 HydrophobicContact CB-CD2 4.05Å; F10-L19 HydrophobicContact CD1-CD2 4.31Å; S12-L19 PolarHBondContact OG-O 3.05Å; L19-V22 HydrophobicContact CD1-CG2 3.97Å; L19-V22 HydrophobicContact CD2-CG2 3.8Å; L19-V22 HydrophobicContact CG-CG2 4.19Å; L19-V56 HydrophobicContact CD1-CB 3.95Å; L19-V56 HydrophobicContact CD1-CG2 4.46Å; L19-F77 HydrophobicContact CB-CB 3.87Å; L19-F77 HydrophobicContact CB-CG 4.36Å; L19-F77 HydrophobicContact CD1-CD1 4.38Å; L19-F77 HydrophobicContact CD1-CG 4.47Å; L19-F77 HydrophobicContact CD2-CB 3.91Å; L19-F77 HydrophobicContact CD2-CD2 4.21Å; L19-F77 HydrophobicContact CD2-CG 4.07Å; L19-F77 HydrophobicContact CG-CB 4.43Å
20	A	95.9	Very high	88.7	Confident	37 Å²	37	62 Å²	62	31%	0.306	33%	0.333	S	S	.	.			trans	-102	-53.1	-179.9	0	0	0	0	0	112.2	W57 R59	A20-W57 HydrophobicContact CB-CB 4.42Å; A20-W57 WeakPolarHBondContact CB-O 3.3Å; A20-W57 PolarHBondContact N-O 2.86Å; A20-R59 HydrophobicContact CB-CB 4.48Å; A20-R59 HydrophobicContact CB-CG 3.68Å
21	H	96.3	Very high	86.2	Confident	78 Å²	78	69 Å²	69	36%	0.361	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.2	-168.4	-174.4	37.9	0	0	0	111.2	E23 V56 W57	H21-E23 IonicContact CD2-OE1 2.76Å; H21-E23 IonicContact CE1-OE1 3.26Å; H21-E23 VanDerWaalsContact NE2-CG 3.26Å; H21-E23 WeakPolarHBondContact NE2-CG 3.34Å; H21-E23 IonicContact NE2-OE1 2.68Å; H21-E23 PolarHBondContact NE2-OE1 2.86Å; H21-V56 WeakPolarHBondContact O-CA 3.38Å; H21-W57 HydrophobicContact CB-CB 4.22Å; H21-W57 HydrophobicContact CB-CE3 4.03Å; H21-W57 AromaticContact CD2-CE3 3.63Å; H21-W57 AromaticContact CD2-CZ3 3.78Å; H21-W57 PolarHBondContact N-O 2.88Å; H21-W57 PolarHBondContact O-N 3.43Å
22	V	97.9	Very high	83.4	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.024	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	124	-179.3	177.9	0	0	0	0	110.1	M1 L3 C5 F10 L19 F54 N55 V56	M1-V22 HydrophobicContact CE-CB 4.45Å; M1-V22 HydrophobicContact CE-CG2 3.89Å; L3-V22 HydrophobicContact CD2-CB 4.22Å; C5-V22 HydrophobicContact CB-CG1 4.06Å; F10-V22 HydrophobicContact CB-CG2 4.23Å; F10-V22 HydrophobicContact CD1-CG1 4.24Å; F10-V22 HydrophobicContact CD1-CG2 3.83Å; F10-V22 HydrophobicContact CD2-CG1 3.98Å; F10-V22 HydrophobicContact CD2-CG2 4.46Å; F10-V22 HydrophobicContact CE1-CG1 4.04Å; F10-V22 HydrophobicContact CE1-CG2 4.3Å; F10-V22 HydrophobicContact CE2-CG1 3.76Å; F10-V22 HydrophobicContact CG-CG1 4.23Å; F10-V22 HydrophobicContact CG-CG2 3.94Å; F10-V22 HydrophobicContact CZ-CG1 3.8Å; L19-V22 HydrophobicContact CD1-CG2 3.97Å; L19-V22 HydrophobicContact CD2-CG2 3.8Å; L19-V22 HydrophobicContact CG-CG2 4.19Å; V22-F54 HydrophobicContact CG1-CB 4.18Å; V22-F54 HydrophobicContact CG1-CD1 3.66Å; V22-F54 HydrophobicContact CG1-CE1 4.38Å; V22-F54 HydrophobicContact CG1-CG 4.18Å; V22-N55 WeakPolarHBondContact CA-O 3.32Å; V22-V56 HydrophobicContact CB-CG1 4.43Å; V22-V56 HydrophobicContact CG1-CG1 4.16Å; V22-V56 HydrophobicContact CG2-CB 4.41Å; V22-V56 HydrophobicContact CG2-CG1 3.95Å
23	E	97.4	Very high	80.9	Confident	89 Å²	89	80.8 Å²	80.8	42%	0.416	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135	174.7	-66.3	176.9	176.5	0	0	109.6	H21 F54 N55 W57	H21-E23 IonicContact CD2-OE1 2.76Å; H21-E23 IonicContact CE1-OE1 3.26Å; H21-E23 VanDerWaalsContact NE2-CG 3.26Å; H21-E23 WeakPolarHBondContact NE2-CG 3.34Å; H21-E23 IonicContact NE2-OE1 2.68Å; H21-E23 PolarHBondContact NE2-OE1 2.86Å; E23-F54 CarbonylContact O-C 3.51Å; E23-F54 WeakPolarHBondContact O-CA 3.43Å; E23-F54 WeakPolarHBondContact O-CB 3.36Å; E23-N55 PolarHBondContact N-O 2.83Å; E23-N55 PolarHBondContact O-N 3.43Å; E23-W57 HydrophobicContact CB-CH2 4.21Å; E23-W57 HydrophobicContact CB-CZ3 3.97Å; E23-W57 HydrophobicContact CG-CH2 4.02Å; E23-W57 HydrophobicContact CG-CZ3 3.76Å; E23-W57 VanDerWaalsContact OE2-CH2 3.24Å; E23-W57 WeakPolarHBondContact OE2-CH2 3.39Å
24	K	96.4	Very high	78.4	Confident	114 Å²	114	75.6 Å²	75.6	50%	0.496	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.9	170.1	-172.6	-159.5	171.9	-163.1	0	107.9	E26 F54	K24-E26 PolarHBondContact O-N 3.34Å; K24-F54 HydrophobicContact CB-CD1 4.08Å; K24-F54 HydrophobicContact CB-CE1 3.93Å; K24-F54 HydrophobicContact CG-CD1 4.49Å; K24-F54 HydrophobicContact CG-CE1 4.16Å
25	V	95.6	Very high	75.6	Confident	39 Å²	39	79.8 Å²	79.8	24%	0.236	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-76.4	124.3	167.7	179.2	0	0	0	0	107.8	S27 E53 N55	V25-S27 PolarHBondContact O-N 2.93Å; V25-E53 HydrophobicContact CB-CB 4.03Å; V25-E53 HydrophobicContact CB-CG 3.83Å; V25-E53 HydrophobicContact CG1-CG 4.4Å; V25-E53 HydrophobicContact CG2-CB 4.49Å; V25-E53 HydrophobicContact CG2-CG 3.82Å; V25-E53 PolarHBondContact N-O 3.11Å; V25-N55 HydrophobicContact CG2-CB 4.47Å; V25-N55 WeakPolarHBondContact CG2-OD1 3.41Å
26	E	86.8	Confident	73	Confident	162 Å²	162	81.8 Å²	81.8	76%	0.757	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-76.5	120.9	175.9	-61.4	-163.9	144.5	0	0	109.9	K24 L28	K24-E26 PolarHBondContact O-N 3.34Å; E26-L28 PolarHBondContact O-N 3.01Å
27	S	71.3	Confident	70.2	Confident	96 Å²	96	85.9 Å²	85.9	67%	0.671	54%	0.542	S	S	*	.			trans	-71.2	110	166.1	-48.3	0	0	0	0	107.5	V25 S29	V25-S27 PolarHBondContact O-N 2.93Å; S27-S29 PolarHBondContact O-N 2.58Å
28	L	55.7	Low	67.1	Low	170 Å²	170	88.8 Å²	88.8	89%	0.89	57%	0.573	S	S	*	*			trans	-58.6	105.7	165.8	-71.8	169.9	0	0	0	107.9	E26	E26-L28 PolarHBondContact O-N 3.01Å
29	S	48.3	Very low	64.5	Low	79 Å²	79	94.1 Å²	94.1	55%	0.552	62%	0.617	S	S	*	*			trans	-65.6	134.6	164.8	47.4	0	0	0	0	107.9	S27 D31	S27-S29 PolarHBondContact O-N 2.58Å; S29-D31 WeakPolarHBondContact CB-OD2 3.46Å; S29-D31 PolarHBondContact O-N 2.8Å; S29-D31 PolarHBondContact OG-OD2 3.39Å
30	S	46.1	Very low	61.5	Low	120 Å²	120	99.6 Å²	99.6	84%	0.839	66%	0.655	S	S	*	*			trans	-80.9	52.4	178.7	-176.6	0	0	0	0	110.4	G32	S30-G32 PolarHBondContact O-N 2.77Å
31	D	46.3	Very low	58.7	Low	145 Å²	145	102.1 Å²	102.1	78%	0.775	68%	0.676	S	S	*	*			trans	-78.8	74.9	-179.1	-61.8	-34.7	0	0	0	109.4	S29	S29-D31 WeakPolarHBondContact CB-OD2 3.46Å; S29-D31 PolarHBondContact O-N 2.8Å; S29-D31 PolarHBondContact OG-OD2 3.39Å
32	G	40.9	Very low	55.8	Low	64 Å²	64	107 Å²	107	66%	0.66	70%	0.704	S	S	*	*			trans	-138.4	108.3	174.9	0	0	0	0	0	109.6	S30	S30-G32 PolarHBondContact O-N 2.77Å
33	E	44.3	Very low	52.8	Low	206 Å²	206	113.1 Å²	113.1	96%	0.963	74%	0.742	S	S	*	*			trans	-70.4	144.3	180	-67.2	-170.8	100.2	0	0	112.6
34	G	43.3	Very low	49.9	Very low	70 Å²	70	115 Å²	115	72%	0.722	76%	0.764	S	S	*	*			trans	63.5	106.9	147.8	0	0	0	0	0	119
35	V	38.6	Very low	46.9	Very low	152 Å²	152	112.7 Å²	112.7	92%	0.921	77%	0.773	S	S	*	*				177.9	134.1	95.2	151.9	0	0	0	0	111.4
36	G	40.4	Very low	44.3	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	80%	0.803	S	S	*	*			trans	71.4	80.6	137	0	0	0	0	0	120.9
37	G	39.3	Very low	42.7	Very low	87 Å²	87	115.5 Å²	115.5	90%	0.897	80%	0.804	S	S	*	*			trans	76.7	120.1	133.3	0	0	0	0	0	119.5
38	G	33.4	Very low	42.4	Very low	74 Å²	74	113.8 Å²	113.8	76%	0.763	79%	0.792	S	S	*	*			trans	166.3	76.5	170.6	0	0	0	0	0	113.6	S40	G38-S40 PolarHBondContact O-N 2.91Å
39	A	43.3	Very low	43.8	Very low	116 Å²	116	110.5 Å²	110.5	96%	0.959	78%	0.783	S	S	*	*			trans	-70.2	112.1	176.5	0	0	0	0	0	110.9
40	S	34	Very low	45.8	Very low	118 Å²	118	108.2 Å²	108.2	83%	0.825	77%	0.766	S	S	*	*			trans	-133.8	139.9	170.2	-169.4	0	0	0	0	109.9	G38 L42	G38-S40 PolarHBondContact O-N 2.91Å; S40-L42 PolarHBondContact O-N 2.91Å
41	A	36.4	Very low	48.1	Very low	90 Å²	90	106 Å²	106	74%	0.744	75%	0.745	S	S	*	*			trans	-80.8	121.7	-163.8	0	0	0	0	0	113.1	T43	A41-T43 PolarHBondContact O-N 3.26Å; A41-T43 VanDerWaalsContact O-N 3.17Å
42	L	35.3	Very low	50.5	Low	181 Å²	181	101 Å²	101	95%	0.948	72%	0.715	S	S	*	*			trans	-69.5	104.2	167.1	-82	161.4	0	0	0	110.3	S40	S40-L42 PolarHBondContact O-N 2.91Å
43	T	35.1	Very low	53.2	Low	133 Å²	133	99.5 Å²	99.5	82%	0.816	69%	0.691	S	S	*	*			trans	-75.8	149.5	166.5	42	0	0	0	0	111	A41 G45	A41-T43 PolarHBondContact O-N 3.26Å; A41-T43 VanDerWaalsContact O-N 3.17Å; T43-G45 PolarHBondContact O-N 3.27Å
44	S	36.8	Very low	55.8	Low	127 Å²	127	89.7 Å²	89.7	89%	0.888	65%	0.645	S	S	*	*	S	Bend	trans	-78.7	124.3	-158.7	43.4	0	0	0	0	114.6
45	G	33.7	Very low	58.4	Low	66 Å²	66	88 Å²	88	68%	0.68	62%	0.62	S	S	*	*			trans	-170.7	51.6	176.2	0	0	0	0	0	112.1	T43 A47	T43-G45 PolarHBondContact O-N 3.27Å; G45-A47 VanDerWaalsContact C-N 3.28Å; G45-A47 PolarHBondContact O-N 2.8Å
46	I	41.8	Very low	61.2	Low	167 Å²	167	80.9 Å²	80.9	86%	0.856	58%	0.576	S	S	*	*			trans	-71.2	81.9	-173.5	-50.2	177.2	0	0	0	110.7	S48	I46-S48 PolarHBondContact O-N 2.77Å
47	A	52.9	Low	63.9	Low	94 Å²	94	80.1 Å²	80.1	78%	0.777	55%	0.551	S	S	*	*			trans	-69	103.8	153.4	0	0	0	0	0	107.1	G45 S49	G45-A47 VanDerWaalsContact C-N 3.28Å; G45-A47 PolarHBondContact O-N 2.8Å; A47-S49 PolarHBondContact O-N 2.95Å
48	S	65.5	Low	66.6	Low	60 Å²	60	76.1 Å²	76.1	42%	0.42	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-55.6	128.2	173.6	56.2	0	0	0	0	109.4	I46	I46-S48 PolarHBondContact O-N 2.77Å
49	S	83.5	Confident	69.6	Low	100 Å²	100	77 Å²	77	70%	0.699	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-53	140.5	170.8	40.2	0	0	0	0	109.9	A47 D51	A47-S49 PolarHBondContact O-N 2.95Å; S49-D51 PolarHBondContact O-N 2.92Å
50	P	91.3	Very high	72.1	Confident	31 Å²	31	71.9 Å²	71.9	20%	0.201	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-68.5	128.9	179.7	29.1	-34.2	0	0	0	109.8	Y52 E53 L87 K89	P50-Y52 PolarHBondContact O-N 2.82Å; P50-E53 HydrophobicContact CB-CB 4.43Å; P50-E53 HydrophobicContact CG-CB 3.96Å; P50-E53 WeakPolarHBondContact CG-OE2 3.25Å; P50-L87 HydrophobicContact CB-CD2 4.5Å; P50-K89 HydrophobicContact CB-CB 3.79Å; P50-K89 HydrophobicContact CG-CB 4.18Å; P50-K89 HydrophobicContact CG-CD 4.33Å
51	D	94.7	Very high	75.1	Confident	73 Å²	73	66.3 Å²	66.3	39%	0.39	41%	0.408	S	S	.	.	S	Bend	trans	-65.6	-25.7	174.9	-58.2	-85.7	0	0	0	112	S49 K86 L87	S49-D51 PolarHBondContact O-N 2.92Å; D51-K86 HydrophobicContact CB-CB 3.97Å; D51-K86 HydrophobicContact CB-CD 3.69Å; D51-K86 HydrophobicContact CB-CG 4.4Å; D51-K86 WeakPolarHBondContact OD1-CD 3.33Å; D51-K86 WeakPolarHBondContact OD1-CE 3.49Å; D51-K86 IonicContact OD1-NZ 2.93Å; D51-K86 PolarHBondContact OD1-NZ 3.31Å; D51-K86 WeakPolarHBondContact OD2-CA 3.28Å; D51-K86 WeakPolarHBondContact OD2-CD 3.26Å; D51-L87 PolarHBondContact N-O 2.76Å; D51-L87 PolarHBondContact OD2-N 2.79Å
52	Y	96.1	Very high	78.1	Confident	40 Å²	40	62.1 Å²	62.1	16%	0.157	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.7	168.6	-49.2	-94.7	0	0	0	109.9	L8 P50 F54 T83 K86 L87 I88 K89 F143	L8-Y52 HydrophobicContact CD1-CD1 4.07Å; L8-Y52 HydrophobicContact CD1-CE1 4.36Å; L8-Y52 HydrophobicContact CD1-CG 4.26Å; L8-Y52 HydrophobicContact CD2-CD1 4.24Å; L8-Y52 HydrophobicContact CD2-CE1 3.72Å; L8-Y52 HydrophobicContact CG-CD1 4.13Å; L8-Y52 HydrophobicContact CG-CE1 4.08Å; P50-Y52 PolarHBondContact O-N 2.82Å; Y52-F54 HydrophobicContact CD1-CE2 4.43Å; Y52-F54 HydrophobicContact CG-CE2 4.43Å; Y52-T83 WeakPolarHBondContact OH-CB 3.44Å; Y52-T83 PolarHBondContact OH-N 2.92Å; Y52-T83 PolarHBondContact OH-OG1 3.11Å; Y52-T83 VanDerWaalsContact OH-OG1 3.12Å; Y52-K86 HydrophobicContact CD2-CB 4.47Å; Y52-K86 HydrophobicContact CE2-CB 3.86Å; Y52-L87 PolarHBondContact N-O 2.77Å; Y52-I88 CarbonylContact O-C 3.55Å; Y52-I88 VanDerWaalsContact O-CA 3.31Å; Y52-I88 WeakPolarHBondContact O-CA 3.5Å; Y52-K89 PolarHBondContact O-N 2.82Å; Y52-F143 HydrophobicContact CD2-CD2 4.42Å; Y52-F143 AromaticContact CD2-CE2 3.93Å; Y52-F143 HydrophobicContact CD2-CE2 3.93Å; Y52-F143 HydrophobicContact CE2-CD2 4.14Å; Y52-F143 AromaticContact CE2-CE2 3.91Å; Y52-F143 HydrophobicContact CE2-CE2 3.91Å
53	E	97.8	Very high	81	Confident	33 Å²	33	54.4 Å²	54.4	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.3	167.8	-175.8	168.4	165.4	0	0	110.7	V25 P50 K89 N91	V25-E53 HydrophobicContact CB-CB 4.03Å; V25-E53 HydrophobicContact CB-CG 3.83Å; V25-E53 HydrophobicContact CG1-CG 4.4Å; V25-E53 HydrophobicContact CG2-CB 4.49Å; V25-E53 HydrophobicContact CG2-CG 3.82Å; V25-E53 PolarHBondContact N-O 3.11Å; P50-E53 HydrophobicContact CB-CB 4.43Å; P50-E53 HydrophobicContact CG-CB 3.96Å; P50-E53 WeakPolarHBondContact CG-OE2 3.25Å; E53-K89 WeakPolarHBondContact CA-O 3.1Å; E53-K89 HydrophobicContact CB-CB 4.26Å; E53-K89 VanDerWaalsContact CD-CE 3.43Å; E53-K89 HydrophobicContact CG-CB 4.02Å; E53-K89 HydrophobicContact CG-CD 4.14Å; E53-K89 HydrophobicContact CG-CG 4.08Å; E53-K89 WeakPolarHBondContact OE1-CE 3.34Å; E53-K89 IonicContact OE1-NZ 2.67Å; E53-K89 PolarHBondContact OE1-NZ 2.76Å; E53-K89 WeakPolarHBondContact OE2-CD 3.18Å; E53-K89 WeakPolarHBondContact OE2-CE 3.25Å; E53-K89 IonicContact OE2-NZ 3.7Å; E53-K89 PolarHBondContact OE2-NZ 3.5Å; E53-N91 PolarHBondContact OE1-ND2 2.88Å
54	F	98.1	Very high	83.8	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.2	179.4	-61.5	-89.4	0	0	0	112.4	C5 L8 F10 V22 E23 K24 Y52 V56 I88 K89 I90 N91	C5-F54 HydrophobicContact CB-CE1 4.11Å; L8-F54 HydrophobicContact CB-CZ 4.5Å; L8-F54 HydrophobicContact CD1-CE2 3.54Å; L8-F54 HydrophobicContact CD1-CZ 3.85Å; L8-F54 HydrophobicContact CG-CE2 4.28Å; L8-F54 HydrophobicContact CG-CZ 4.1Å; F10-F54 HydrophobicContact CE2-CD1 4.1Å; F10-F54 HydrophobicContact CE2-CD2 4.38Å; F10-F54 AromaticContact CE2-CE1 3.85Å; F10-F54 HydrophobicContact CE2-CE1 3.85Å; F10-F54 HydrophobicContact CE2-CE2 4.11Å; F10-F54 HydrophobicContact CE2-CG 4.36Å; F10-F54 AromaticContact CE2-CZ 3.84Å; F10-F54 HydrophobicContact CE2-CZ 3.84Å; F10-F54 HydrophobicContact CZ-CB 4.41Å; F10-F54 AromaticContact CZ-CD1 3.96Å; F10-F54 HydrophobicContact CZ-CD1 3.96Å; F10-F54 AromaticContact CZ-CD2 3.69Å; F10-F54 HydrophobicContact CZ-CD2 3.69Å; F10-F54 HydrophobicContact CZ-CE1 4.08Å; F10-F54 AromaticContact CZ-CE2 3.77Å; F10-F54 HydrophobicContact CZ-CE2 3.77Å; F10-F54 AromaticContact CZ-CG 3.77Å; F10-F54 HydrophobicContact CZ-CG 3.77Å; F10-F54 AromaticContact CZ-CZ 3.98Å; F10-F54 HydrophobicContact CZ-CZ 3.98Å; V22-F54 HydrophobicContact CG1-CB 4.18Å; V22-F54 HydrophobicContact CG1-CD1 3.66Å; V22-F54 HydrophobicContact CG1-CE1 4.38Å; V22-F54 HydrophobicContact CG1-CG 4.18Å; E23-F54 CarbonylContact O-C 3.51Å; E23-F54 WeakPolarHBondContact O-CA 3.43Å; E23-F54 WeakPolarHBondContact O-CB 3.36Å; K24-F54 HydrophobicContact CB-CD1 4.08Å; K24-F54 HydrophobicContact CB-CE1 3.93Å; K24-F54 HydrophobicContact CG-CD1 4.49Å; K24-F54 HydrophobicContact CG-CE1 4.16Å; Y52-F54 HydrophobicContact CD1-CE2 4.43Å; Y52-F54 HydrophobicContact CG-CE2 4.43Å; F54-V56 HydrophobicContact CB-CG1 4.19Å; F54-I88 HydrophobicContact CD2-CD1 3.85Å; F54-I88 HydrophobicContact CD2-CG1 4.14Å; F54-I88 HydrophobicContact CE2-CD1 3.87Å; F54-I88 HydrophobicContact CE2-CG1 4.37Å; F54-K89 PolarHBondContact N-O 3.43Å; F54-I90 HydrophobicContact CB-CD1 4.23Å; F54-I90 HydrophobicContact CD2-CD1 4.39Å; F54-N91 PolarHBondContact O-N 3.29Å
55	N	97.9	Very high	86.6	Confident	35 Å²	35	51.5 Å²	51.5	19%	0.187	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	161.4	-66.7	-17.2	0	0	0	108.2	V22 E23 V25 W57 N91 M93	V22-N55 WeakPolarHBondContact CA-O 3.32Å; E23-N55 PolarHBondContact N-O 2.83Å; E23-N55 PolarHBondContact O-N 3.43Å; V25-N55 HydrophobicContact CG2-CB 4.47Å; V25-N55 WeakPolarHBondContact CG2-OD1 3.41Å; N55-W57 VanDerWaalsContact C-CZ3 3.49Å; N55-W57 HydrophobicContact CB-CH2 3.48Å; N55-W57 VanDerWaalsContact CB-CH2 3.48Å; N55-W57 HydrophobicContact CB-CZ2 4.33Å; N55-W57 HydrophobicContact CB-CZ3 3.71Å; N55-W57 VanDerWaalsContact O-CZ3 3.28Å; N55-W57 WeakPolarHBondContact O-CZ3 3.44Å; N55-N91 CarbonylContact C-O 3.52Å; N55-N91 WeakPolarHBondContact CA-O 3.33Å; N55-N91 WeakPolarHBondContact OD1-CB 3.34Å; N55-N91 PolarHBondContact OD1-ND2 2.81Å; N55-M93 HydrophobicContact CB-CG 3.88Å; N55-M93 HydrophobicContact CB-SD 3.94Å
56	V	97.9	Very high	89.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.3	-178.1	-50	0	0	0	0	111.6	L19 H21 V22 F54 I90 N91 I92 M93	L19-V56 HydrophobicContact CD1-CB 3.95Å; L19-V56 HydrophobicContact CD1-CG2 4.46Å; H21-V56 WeakPolarHBondContact O-CA 3.38Å; V22-V56 HydrophobicContact CB-CG1 4.43Å; V22-V56 HydrophobicContact CG1-CG1 4.16Å; V22-V56 HydrophobicContact CG2-CB 4.41Å; V22-V56 HydrophobicContact CG2-CG1 3.95Å; F54-V56 HydrophobicContact CB-CG1 4.19Å; V56-I90 HydrophobicContact CG1-CD1 4.46Å; V56-I90 HydrophobicContact CG1-CG2 4.17Å; V56-I90 HydrophobicContact CG2-CG2 3.59Å; V56-N91 PolarHBondContact N-O 2.98Å; V56-I92 HydrophobicContact CG2-CB 4.11Å; V56-I92 HydrophobicContact CG2-CG1 3.71Å; V56-I92 HydrophobicContact CG2-CG2 4.26Å; V56-I92 CarbonylContact O-C 3.59Å; V56-I92 WeakPolarHBondContact O-CA 3.32Å; V56-M93 PolarHBondContact O-N 2.87Å
57	W	97.1	Very high	92.2	Very high	55 Å²	55	51.7 Å²	51.7	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.4	-178.7	-67.5	-106.7	0	0	0	110.9	A20 H21 E23 N55 M93	A20-W57 HydrophobicContact CB-CB 4.42Å; A20-W57 WeakPolarHBondContact CB-O 3.3Å; A20-W57 PolarHBondContact N-O 2.86Å; H21-W57 HydrophobicContact CB-CB 4.22Å; H21-W57 HydrophobicContact CB-CE3 4.03Å; H21-W57 AromaticContact CD2-CE3 3.63Å; H21-W57 AromaticContact CD2-CZ3 3.78Å; H21-W57 PolarHBondContact N-O 2.88Å; H21-W57 PolarHBondContact O-N 3.43Å; E23-W57 HydrophobicContact CB-CH2 4.21Å; E23-W57 HydrophobicContact CB-CZ3 3.97Å; E23-W57 HydrophobicContact CG-CH2 4.02Å; E23-W57 HydrophobicContact CG-CZ3 3.76Å; E23-W57 VanDerWaalsContact OE2-CH2 3.24Å; E23-W57 WeakPolarHBondContact OE2-CH2 3.39Å; N55-W57 VanDerWaalsContact C-CZ3 3.49Å; N55-W57 HydrophobicContact CB-CH2 3.48Å; N55-W57 VanDerWaalsContact CB-CH2 3.48Å; N55-W57 HydrophobicContact CB-CZ2 4.33Å; N55-W57 HydrophobicContact CB-CZ3 3.71Å; N55-W57 VanDerWaalsContact O-CZ3 3.28Å; N55-W57 WeakPolarHBondContact O-CZ3 3.44Å; W57-M93 HydrophobicContact CD2-CB 4.36Å; W57-M93 HydrophobicContact CD2-CG 4.27Å; W57-M93 HydrophobicContact CH2-CG 4.17Å; W57-M93 HydrophobicContact CZ2-CB 4.17Å; W57-M93 HydrophobicContact CZ2-CG 3.73Å
58	T	96.4	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-85	149.3	170.2	60.1	0	0	0	0	110.9	F75 I92 N94	T58-F75 HydrophobicContact CG2-CB 3.78Å; T58-I92 HydrophobicContact CG2-CG2 3.89Å; T58-N94 PolarHBondContact N-OD1 3.03Å; T58-N94 PolarHBondContact O-ND2 2.96Å; T58-N94 PolarHBondContact OG1-OD1 2.89Å
59	R	95.6	Very high	95.6	Very high	93 Å²	93	50.4 Å²	50.4	35%	0.351	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-74.1	140.5	164.2	-83.2	-171.3	165.2	158.1	-6.4	109.2	N18 A20 A63 E64	N18-R59 PolarHBondContact ND2-O 3.24Å; N18-R59 PolarHBondContact OD1-N 2.75Å; A20-R59 HydrophobicContact CB-CB 4.48Å; A20-R59 HydrophobicContact CB-CG 3.68Å; R59-A63 HydrophobicContact CB-CB 3.91Å; R59-A63 HydrophobicContact CG-CB 3.98Å; R59-E64 IonicContact CZ-OE1 2.76Å; R59-E64 IonicContact CZ-OE2 2.76Å; R59-E64 IonicContact NE-OE1 3.8Å; R59-E64 PolarHBondContact NE-OE1 2.69Å; R59-E64 IonicContact NH2-OE1 3.76Å; R59-E64 PolarHBondContact NH2-OE1 3.48Å; R59-E64 IonicContact NH2-OE2 3.29Å; R59-E64 PolarHBondContact NH2-OE2 3.19Å
60	P	96.7	Very high	96	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.052	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.3	160.9	163.5	27.3	-32.2	0	0	0	112	C62 A63 E68 N69 N71 R72	P60-C62 PolarHBondContact O-N 2.95Å; P60-A63 HydrophobicContact CG-CB 3.66Å; P60-A63 WeakPolarHBondContact O-CB 3.31Å; P60-A63 PolarHBondContact O-N 3.28Å; P60-E68 HydrophobicContact CB-CG 4.02Å; P60-E68 HydrophobicContact CG-CG 3.56Å; P60-E68 WeakPolarHBondContact CG-OE1 3.43Å; P60-N69 WeakPolarHBondContact CB-O 3.49Å; P60-N71 CarbonylContact C-O 3.54Å; P60-N71 VanDerWaalsContact CA-O 3.26Å; P60-N71 WeakPolarHBondContact CA-O 3.06Å; P60-R72 HydrophobicContact CB-CG 3.87Å
61	D	97.7	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.4	160.6	-67.3	25.1	0	0	0	109.5	A63 N69 N71 H301 Y302 R303 T304	D61-A63 PolarHBondContact O-N 3.23Å; D61-N69 PolarHBondContact O-N 3.12Å; D61-N69 VanDerWaalsContact O-N 3.14Å; D61-N69 PolarHBondContact O-ND2 2.65Å; D61-N71 HydrophobicContact CB-CB 4.15Å; D61-N71 PolarHBondContact N-O 3.28Å; D61-H301 HydrophobicContact CB-CB 4.24Å; D61-H301 WeakPolarHBondContact OD1-CA 3.48Å; D61-Y302 PolarHBondContact OD1-N 3.3Å; D61-Y302 PolarHBondContact OD2-N 3.04Å; D61-R303 WeakPolarHBondContact OD2-CA 3.28Å; D61-R303 WeakPolarHBondContact OD2-CB 3.45Å; D61-R303 PolarHBondContact OD2-N 3.47Å; D61-T304 WeakPolarHBondContact CB-OG1 3.41Å; D61-T304 PolarHBondContact OD2-N 3.36Å; D61-T304 PolarHBondContact OD2-OG1 2.97Å
62	C	97.6	Very high	96.1	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.02	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	27.6	-176.9	-54.3	0	0	0	0	115.3	P60 T65 F67 E68 H301 D305 G308	P60-C62 PolarHBondContact O-N 2.95Å; C62-T65 PolarHBondContact O-N 3.06Å; C62-T65 PolarHBondContact O-OG1 3.44Å; C62-F67 VanDerWaalsContact CB-C 3.48Å; C62-F67 HydrophobicContact CB-CB 3.89Å; C62-F67 VanDerWaalsContact CB-O 3.28Å; C62-F67 WeakPolarHBondContact CB-O 3.48Å; C62-E68 VanDerWaalsContact O-CA 3.3Å; C62-E68 WeakPolarHBondContact O-CA 3.49Å; C62-E68 WeakPolarHBondContact O-CB 3.4Å; C62-E68 PolarHBondContact O-N 3.25Å; C62-H301 PolarHBondContact N-CE1 3.12Å; C62-H301 PolarHBondContact N-NE2 2.99Å; C62-H301 PolarHBondContact SG-CE1 2.97Å; C62-D305 PolarHBondContact SG-O 3.11Å; C62-G308 PolarHBondContact SG-N 3.05Å
63	A	96.2	Very high	96	Very high	18 Å²	18	45.8 Å²	45.8	15%	0.149	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	142.6	173.6	0	0	0	0	0	113.4	R59 P60 D61 T65 E68	R59-A63 HydrophobicContact CB-CB 3.91Å; R59-A63 HydrophobicContact CG-CB 3.98Å; P60-A63 HydrophobicContact CG-CB 3.66Å; P60-A63 WeakPolarHBondContact O-CB 3.31Å; P60-A63 PolarHBondContact O-N 3.28Å; D61-A63 PolarHBondContact O-N 3.23Å; A63-T65 PolarHBondContact O-N 2.8Å; A63-E68 WeakPolarHBondContact CA-OE2 3.27Å
64	E	93.9	Very high	96	Very high	141 Å²	141	44.2 Å²	44.2	66%	0.659	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	21.2	175.3	-58.4	148.1	-136.5	0	0	113.5	R59 E68	R59-E64 IonicContact CZ-OE1 2.76Å; R59-E64 IonicContact CZ-OE2 2.76Å; R59-E64 IonicContact NE-OE1 3.8Å; R59-E64 PolarHBondContact NE-OE1 2.69Å; R59-E64 IonicContact NH2-OE1 3.76Å; R59-E64 PolarHBondContact NH2-OE1 3.48Å; R59-E64 IonicContact NH2-OE2 3.29Å; R59-E64 PolarHBondContact NH2-OE2 3.19Å; E64-E68 PolarHBondContact N-OE2 3.49Å; E64-E68 VanDerWaalsContact N-OE2 3.14Å
65	T	96	Very high	96	Very high	59 Å²	59	44.2 Å²	44.2	36%	0.362	22%	0.223	S	C	.	.	S	Bend	trans	-131.2	168.3	175.5	77.1	0	0	0	0	112.3	C62 A63 F67 E68	C62-T65 PolarHBondContact O-N 3.06Å; C62-T65 PolarHBondContact O-OG1 3.44Å; A63-T65 PolarHBondContact O-N 2.8Å; T65-F67 PolarHBondContact O-N 3.49Å; T65-F67 VanDerWaalsContact O-N 3.13Å; T65-F67 PolarHBondContact OG1-N 2.81Å; T65-E68 PolarHBondContact O-N 3.21Å
66	E	96.3	Very high	96	Very high	173 Å²	173	43.5 Å²	43.5	81%	0.808	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-13.8	173.3	67.9	179.6	156.9	0	0	114.2
67	F	96.8	Very high	96	Very high	63 Å²	63	43.5 Å²	43.5	28%	0.276	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	6.7	179.6	-50.6	-67.5	0	0	0	113.6	C62 T65 N69 R307	C62-F67 VanDerWaalsContact CB-C 3.48Å; C62-F67 HydrophobicContact CB-CB 3.89Å; C62-F67 VanDerWaalsContact CB-O 3.28Å; C62-F67 WeakPolarHBondContact CB-O 3.48Å; T65-F67 PolarHBondContact O-N 3.49Å; T65-F67 VanDerWaalsContact O-N 3.13Å; T65-F67 PolarHBondContact OG1-N 2.81Å; F67-N69 PolarHBondContact O-N 2.87Å; F67-N69 PolarHBondContact O-ND2 2.83Å; F67-R307 VanDerWaalsContact CB-C 3.49Å; F67-R307 HydrophobicContact CD1-CB 4.34Å; F67-R307 WeakPolarHBondContact CD1-O 3.49Å; F67-R307 HydrophobicContact CD2-CB 4.29Å; F67-R307 HydrophobicContact CD2-CG 4.26Å; F67-R307 HydrophobicContact CE1-CB 4.46Å; F67-R307 HydrophobicContact CE2-CB 4.4Å; F67-R307 HydrophobicContact CE2-CG 4.02Å; F67-R307 HydrophobicContact CG-CB 4.27Å; F67-R307 HydrophobicContact CZ-CB 4.5Å; F67-R307 HydrophobicContact CZ-CG 4.28Å
68	E	96.7	Very high	96.1	Very high	93 Å²	93	41.3 Å²	41.3	44%	0.435	21%	0.211	S	C	.	.			trans	-52.8	129.5	179.9	-178.2	172.7	139.8	0	0	111.1	P60 C62 A63 E64 T65 R72	P60-E68 HydrophobicContact CB-CG 4.02Å; P60-E68 HydrophobicContact CG-CG 3.56Å; P60-E68 WeakPolarHBondContact CG-OE1 3.43Å; C62-E68 VanDerWaalsContact O-CA 3.3Å; C62-E68 WeakPolarHBondContact O-CA 3.49Å; C62-E68 WeakPolarHBondContact O-CB 3.4Å; C62-E68 PolarHBondContact O-N 3.25Å; A63-E68 WeakPolarHBondContact CA-OE2 3.27Å; E64-E68 PolarHBondContact N-OE2 3.49Å; E64-E68 VanDerWaalsContact N-OE2 3.14Å; T65-E68 PolarHBondContact O-N 3.21Å; E68-R72 IonicContact OE1-NH2 3.7Å; E68-R72 PolarHBondContact OE1-NH2 3.33Å
69	N	93.6	Very high	96.2	Very high	35 Å²	35	41.2 Å²	41.2	19%	0.187	21%	0.211	C	C	.	.			trans	-136.8	169.9	-176.8	70.3	80.1	0	0	0	113.5	P60 D61 F67 N71 T304	P60-N69 WeakPolarHBondContact CB-O 3.49Å; D61-N69 PolarHBondContact O-N 3.12Å; D61-N69 VanDerWaalsContact O-N 3.14Å; D61-N69 PolarHBondContact O-ND2 2.65Å; F67-N69 PolarHBondContact O-N 2.87Å; F67-N69 PolarHBondContact O-ND2 2.83Å; N69-N71 PolarHBondContact O-N 2.93Å; N69-N71 WeakPolarHBondContact OD1-CB 3.29Å; N69-N71 PolarHBondContact OD1-N 3.16Å; N69-N71 PolarHBondContact OD1-ND2 3.41Å; N69-T304 PolarHBondContact ND2-OG1 3.24Å
70	G	92.1	Very high	96.2	Very high	57 Å²	57	42.9 Å²	42.9	59%	0.588	22%	0.217	S	C	*	.	S	Bend	trans	-70.8	-0.1	-169.5	0	0	0	0	0	116.6	R72 N96	G70-R72 PolarHBondContact O-N 3.08Å; G70-N96 PolarHBondContact O-ND2 3.13Å
71	N	94.1	Very high	96	Very high	18 Å²	18	45 Å²	45	10%	0.096	24%	0.239	C	C	.	.			trans	-76.3	116.9	-179.2	-68.2	-69.8	0	0	0	110.5	P60 D61 N69 Y302 R303 R490	P60-N71 CarbonylContact C-O 3.54Å; P60-N71 VanDerWaalsContact CA-O 3.26Å; P60-N71 WeakPolarHBondContact CA-O 3.06Å; D61-N71 HydrophobicContact CB-CB 4.15Å; D61-N71 PolarHBondContact N-O 3.28Å; N69-N71 PolarHBondContact O-N 2.93Å; N69-N71 WeakPolarHBondContact OD1-CB 3.29Å; N69-N71 PolarHBondContact OD1-N 3.16Å; N69-N71 PolarHBondContact OD1-ND2 3.41Å; N71-Y302 HydrophobicContact CB-CD1 4.48Å; N71-R303 HydrophobicContact CB-CB 3.91Å; N71-R303 VanDerWaalsContact CG-CB 3.49Å; N71-R490 PolarHBondContact OD1-NH1 2.79Å
72	R	92.9	Very high	95.7	Very high	70 Å²	70	45.7 Å²	45.7	26%	0.264	25%	0.248	S	C	.	.			trans	-146.4	65.7	-174.8	-68	176.9	-167.4	-121.3	1.7	108.6	P60 E68 G70 N94 M95 N96	P60-R72 HydrophobicContact CB-CG 3.87Å; E68-R72 IonicContact OE1-NH2 3.7Å; E68-R72 PolarHBondContact OE1-NH2 3.33Å; G70-R72 PolarHBondContact O-N 3.08Å; R72-N94 PolarHBondContact NH1-ND2 2.89Å; R72-M95 CarbonylContact O-C 3.57Å; R72-M95 VanDerWaalsContact O-CA 3.24Å; R72-M95 WeakPolarHBondContact O-CA 3.42Å; R72-N96 PolarHBondContact N-OD1 2.8Å; R72-N96 PolarHBondContact O-N 3.08Å; R72-N96 PolarHBondContact O-OD1 2.95Å
73	S	94	Very high	95.5	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.268	C	S	.	.			trans	-127.5	-16	179.6	-67.8	0	0	0	0	114.3	M95 N96 Q98 F155	S73-M95 WeakPolarHBondContact O-CE 3.38Å; S73-N96 WeakPolarHBondContact OG-CB 3.4Å; S73-N96 PolarHBondContact OG-OD1 2.9Å; S73-Q98 PolarHBondContact OG-NE2 3.31Å; S73-F155 VanDerWaalsContact O-CD2 3.3Å; S73-F155 WeakPolarHBondContact O-CD2 3.04Å
74	W	97.6	Very high	95.3	Very high	1 Å²	1	51 Å²	51	0%	0.004	28%	0.279	C	S	.	.			trans	-85.4	141.7	171.8	-176.1	-106.6	0	0	0	110.3	S16 Y76 F155 P158 T256 G300 Y302	S16-W74 PolarHBondContact O-NE1 3.38Å; W74-Y76 HydrophobicContact CZ2-CD1 4.3Å; W74-Y76 HydrophobicContact CZ2-CG 4.41Å; W74-F155 HydrophobicContact CE3-CB 3.96Å; W74-F155 HydrophobicContact CE3-CD1 4.1Å; W74-F155 HydrophobicContact CE3-CG 4.43Å; W74-F155 HydrophobicContact CZ3-CB 4.15Å; W74-F155 HydrophobicContact CZ3-CD1 4.26Å; W74-P158 HydrophobicContact CH2-CB 4.22Å; W74-P158 HydrophobicContact CZ2-CB 4.31Å; W74-T256 HydrophobicContact CH2-CG2 3.79Å; W74-T256 HydrophobicContact CZ3-CG2 3.82Å; W74-G300 VanDerWaalsContact CD1-O 3.24Å; W74-Y302 HydrophobicContact CB-CD2 4.34Å
75	F	98.2	Very high	95.2	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	27%	0.267	C	S	.	.			trans	-145.5	140.9	164	63.1	-95	0	0	0	108.8	T58 F77 I92 M95 P108 L137 A154 F155	T58-F75 HydrophobicContact CG2-CB 3.78Å; F75-F77 HydrophobicContact CD2-CD1 4.35Å; F75-F77 AromaticContact CD2-CE1 3.99Å; F75-F77 HydrophobicContact CD2-CE1 3.99Å; F75-I92 HydrophobicContact CB-CD1 4.38Å; F75-I92 HydrophobicContact CD1-CD1 3.43Å; F75-I92 VanDerWaalsContact CD1-CD1 3.43Å; F75-I92 HydrophobicContact CD2-CD1 3.75Å; F75-I92 HydrophobicContact CE1-CD1 3.39Å; F75-I92 HydrophobicContact CE2-CD1 3.72Å; F75-I92 HydrophobicContact CG-CD1 3.6Å; F75-I92 HydrophobicContact CZ-CD1 3.53Å; F75-M95 HydrophobicContact CD1-CE 3.97Å; F75-M95 HydrophobicContact CD1-SD 4.17Å; F75-M95 HydrophobicContact CE1-CE 3.9Å; F75-M95 HydrophobicContact CE1-SD 4.01Å; F75-P108 HydrophobicContact CE2-CB 4.2Å; F75-P108 HydrophobicContact CZ-CB 3.89Å; F75-P108 HydrophobicContact CZ-CG 3.95Å; F75-L137 HydrophobicContact CE1-CD2 4.1Å; F75-L137 HydrophobicContact CZ-CD2 4.28Å; F75-A154 WeakPolarHBondContact O-CA 3.29Å; F75-F155 HydrophobicContact CD1-CB 3.92Å; F75-F155 HydrophobicContact CD1-CD2 4.28Å; F75-F155 HydrophobicContact CE1-CB 3.89Å; F75-F155 AromaticContact CE1-CD2 3.87Å; F75-F155 HydrophobicContact CE1-CD2 3.87Å; F75-F155 HydrophobicContact CE1-CG 4.39Å; F75-F155 HydrophobicContact CG-CB 4.34Å; F75-F155 HydrophobicContact CZ-CB 4.28Å; F75-F155 PolarHBondContact O-N 3.25Å
76	Y	98.6	Very high	95.2	Very high	19 Å²	19	47.6 Å²	47.6	8%	0.075	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	114.3	172.5	-178.9	-160.6	0	0	0	108.2	F14 S16 G17 N18 W74 W119 F152 F153 A154 P158	F14-Y76 HydrophobicContact CD2-CD1 4.31Å; F14-Y76 HydrophobicContact CD2-CE1 4.03Å; F14-Y76 AromaticContact CE2-CD1 3.78Å; F14-Y76 HydrophobicContact CE2-CD1 3.78Å; F14-Y76 AromaticContact CE2-CD2 3.88Å; F14-Y76 HydrophobicContact CE2-CD2 3.88Å; F14-Y76 AromaticContact CE2-CE1 3.7Å; F14-Y76 HydrophobicContact CE2-CE1 3.7Å; F14-Y76 AromaticContact CE2-CE2 3.77Å; F14-Y76 HydrophobicContact CE2-CE2 3.77Å; F14-Y76 AromaticContact CE2-CG 3.86Å; F14-Y76 HydrophobicContact CE2-CG 3.86Å; F14-Y76 AromaticContact CE2-CZ 3.68Å; F14-Y76 HydrophobicContact CZ-CD2 4.31Å; F14-Y76 HydrophobicContact CZ-CE2 4.16Å; S16-Y76 WeakPolarHBondContact O-CB 3.03Å; G17-Y76 CarbonylContact C-O 3.58Å; G17-Y76 VanDerWaalsContact CA-O 3.3Å; G17-Y76 WeakPolarHBondContact CA-O 3.44Å; N18-Y76 PolarHBondContact N-O 2.89Å; N18-Y76 PolarHBondContact O-N 2.83Å; W74-Y76 HydrophobicContact CZ2-CD1 4.3Å; W74-Y76 HydrophobicContact CZ2-CG 4.41Å; Y76-W119 HydrophobicContact CD2-CH2 4.35Å; Y76-W119 AromaticContact CE2-CH2 3.72Å; Y76-W119 HydrophobicContact CE2-CH2 3.72Å; Y76-W119 AromaticContact CE2-CZ2 3.9Å; Y76-W119 HydrophobicContact CE2-CZ2 3.9Å; Y76-F152 HydrophobicContact CE2-CB 4.24Å; Y76-F152 AromaticContact CE2-CD1 3.92Å; Y76-F152 HydrophobicContact CE2-CD1 3.92Å; Y76-F153 WeakPolarHBondContact CA-O 3.41Å; Y76-A154 HydrophobicContact CD2-CB 3.9Å; Y76-A154 HydrophobicContact CG-CB 4.31Å; Y76-P158 HydrophobicContact CD1-CB 4.13Å; Y76-P158 HydrophobicContact CE1-CB 3.92Å; Y76-P158 HydrophobicContact CE1-CG 4.23Å
77	F	98.7	Very high	95.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171.1	-177.7	64.6	-88.8	0	0	0	111.4	F10 S11 L19 F75 V79 I90 F152 F153	F10-F77 HydrophobicContact CD1-CD2 4.3Å; F10-F77 HydrophobicContact CD1-CE2 4.3Å; F10-F77 HydrophobicContact CE1-CE2 4.38Å; S11-F77 CarbonylContact O-C 3.55Å; L19-F77 HydrophobicContact CB-CB 3.87Å; L19-F77 HydrophobicContact CB-CG 4.36Å; L19-F77 HydrophobicContact CD1-CD1 4.38Å; L19-F77 HydrophobicContact CD1-CG 4.47Å; L19-F77 HydrophobicContact CD2-CB 3.91Å; L19-F77 HydrophobicContact CD2-CD2 4.21Å; L19-F77 HydrophobicContact CD2-CG 4.07Å; L19-F77 HydrophobicContact CG-CB 4.43Å; F75-F77 HydrophobicContact CD2-CD1 4.35Å; F75-F77 AromaticContact CD2-CE1 3.99Å; F75-F77 HydrophobicContact CD2-CE1 3.99Å; F77-V79 HydrophobicContact CD2-CG2 3.98Å; F77-V79 HydrophobicContact CE2-CG2 3.8Å; F77-I90 HydrophobicContact CZ-CG2 4.22Å; F77-F152 CarbonylContact O-C 3.59Å; F77-F152 VanDerWaalsContact O-CA 3.28Å; F77-F152 WeakPolarHBondContact O-CA 3.46Å; F77-F153 HydrophobicContact CD2-CD2 4.34Å; F77-F153 HydrophobicContact CE1-CB 4.18Å; F77-F153 HydrophobicContact CE2-CB 4.24Å; F77-F153 AromaticContact CE2-CD2 3.69Å; F77-F153 HydrophobicContact CE2-CD2 3.69Å; F77-F153 HydrophobicContact CE2-CG 4.38Å; F77-F153 HydrophobicContact CZ-CB 3.95Å; F77-F153 HydrophobicContact CZ-CD2 4.07Å; F77-F153 HydrophobicContact CZ-CG 4.35Å; F77-F153 PolarHBondContact N-O 2.98Å; F77-F153 PolarHBondContact O-N 3.13Å
78	S	98.3	Very high	95.2	Very high	10 Å²	10	37 Å²	37	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.8	179.8	66.2	0	0	0	0	111.3	F10 S11 T151	F10-S78 CarbonylContact C-O 3.57Å; F10-S78 WeakPolarHBondContact CA-O 3.26Å; S11-S78 PolarHBondContact N-O 3.48Å; S11-S78 PolarHBondContact O-N 3.21Å; S11-S78 PolarHBondContact O-OG 3.12Å; S78-T151 CarbonylContact C-O 3.59Å; S78-T151 WeakPolarHBondContact CA-O 3.21Å
79	V	98	Very high	95.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.7	176.9	-170.3	0	0	0	0	108.4	L8 L9 F10 F77 I88 F143 T151 F153	L8-V79 HydrophobicContact CB-CG1 4.04Å; L8-V79 HydrophobicContact CD1-CG1 3.7Å; L8-V79 HydrophobicContact CG-CG1 4.46Å; L9-V79 CarbonylContact O-C 3.58Å; L9-V79 WeakPolarHBondContact O-CA 3.45Å; F10-V79 HydrophobicContact CD1-CG2 3.66Å; F10-V79 HydrophobicContact CE1-CG1 4.25Å; F10-V79 HydrophobicContact CE1-CG2 3.59Å; F10-V79 HydrophobicContact CE2-CG1 4.46Å; F10-V79 HydrophobicContact CG-CG2 4.46Å; F10-V79 HydrophobicContact CZ-CG1 4.2Å; F10-V79 HydrophobicContact CZ-CG2 4.34Å; F77-V79 HydrophobicContact CD2-CG2 3.98Å; F77-V79 HydrophobicContact CE2-CG2 3.8Å; V79-I88 HydrophobicContact CG1-CD1 4.3Å; V79-F143 HydrophobicContact CG1-CE1 4.35Å; V79-F143 HydrophobicContact CG1-CZ 4.07Å; V79-T151 PolarHBondContact N-O 3.13Å; V79-T151 PolarHBondContact O-N 3.43Å; V79-F153 HydrophobicContact CB-CE2 4.29Å; V79-F153 HydrophobicContact CG2-CD2 3.97Å; V79-F153 HydrophobicContact CG2-CE2 3.76Å
80	R	96.3	Very high	95.5	Very high	128 Å²	128	33.7 Å²	33.7	48%	0.483	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.1	-177.8	-171.7	177.9	-173.1	-151.6	-2	110.5	L9 G148 T150	L9-R80 HydrophobicContact CB-CB 4.39Å; L9-R80 PolarHBondContact N-O 3.14Å; L9-R80 PolarHBondContact O-N 2.58Å; R80-G148 PolarHBondContact NE-O 3.37Å; R80-T150 HydrophobicContact CB-CG2 4.23Å; R80-T150 VanDerWaalsContact CD-OG1 3.3Å; R80-T150 WeakPolarHBondContact CD-OG1 3.5Å; R80-T150 WeakPolarHBondContact CG-OG1 3.34Å
81	G	92.8	Very high	95.7	Very high	51 Å²	51	31.4 Å²	31.4	53%	0.526	18%	0.177	S	C	.	.			trans	89	10.4	179.7	0	0	0	0	0	114.8	L8 T83	L8-G81 WeakPolarHBondContact CD2-O 3.28Å; G81-T83 PolarHBondContact O-N 3.39Å
82	G	90.8	Very high	95.9	Very high	17 Å²	17	30.6 Å²	30.6	18%	0.175	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-67	127.9	172	0	0	0	0	0	111.4
83	T	93	Very high	96.1	Very high	72 Å²	72	29.1 Å²	29.1	44%	0.442	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-62.4	129.6	175.7	-62.9	0	0	0	0	109.9	Y52 G81 K86 F143	Y52-T83 WeakPolarHBondContact OH-CB 3.44Å; Y52-T83 PolarHBondContact OH-N 2.92Å; Y52-T83 PolarHBondContact OH-OG1 3.11Å; Y52-T83 VanDerWaalsContact OH-OG1 3.12Å; G81-T83 PolarHBondContact O-N 3.39Å; T83-K86 HydrophobicContact CG2-CG 3.78Å; T83-K86 VanDerWaalsContact O-CB 3.3Å; T83-K86 WeakPolarHBondContact O-CB 3.41Å; T83-K86 PolarHBondContact O-N 3.47Å; T83-F143 WeakPolarHBondContact O-CB 3.45Å
84	P	93.2	Very high	96.1	Very high	59 Å²	59	29.6 Å²	29.6	38%	0.383	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	148.2	179.8	-27.6	35.9	0	0	0	113.8	K86 E145	P84-K86 PolarHBondContact O-N 3.42Å; P84-E145 HydrophobicContact CB-CB 4.33Å; P84-E145 HydrophobicContact CB-CG 3.56Å; P84-E145 HydrophobicContact CG-CG 4.28Å
85	G	92.4	Very high	95.9	Very high	39 Å²	39	29.8 Å²	29.8	40%	0.402	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-15.5	-178.6	0	0	0	0	0	114.9	R142 F143	G85-R142 VanDerWaalsContact O-CD 3.25Å; G85-R142 WeakPolarHBondContact O-CD 3.32Å; G85-R142 WeakPolarHBondContact O-CG 3.4Å; G85-R142 PolarHBondContact O-NH1 2.97Å; G85-F143 PolarHBondContact N-O 2.88Å
86	K	94.3	Very high	95.6	Very high	90 Å²	90	31.9 Å²	31.9	39%	0.391	18%	0.184	S	C	.	.			trans	-79.8	149.3	179.5	-65	-76.6	-177.8	-179.8	0	112.4	D51 Y52 T83 P84 R142 F143	D51-K86 HydrophobicContact CB-CB 3.97Å; D51-K86 HydrophobicContact CB-CD 3.69Å; D51-K86 HydrophobicContact CB-CG 4.4Å; D51-K86 WeakPolarHBondContact OD1-CD 3.33Å; D51-K86 WeakPolarHBondContact OD1-CE 3.49Å; D51-K86 IonicContact OD1-NZ 2.93Å; D51-K86 PolarHBondContact OD1-NZ 3.31Å; D51-K86 WeakPolarHBondContact OD2-CA 3.28Å; D51-K86 WeakPolarHBondContact OD2-CD 3.26Å; Y52-K86 HydrophobicContact CD2-CB 4.47Å; Y52-K86 HydrophobicContact CE2-CB 3.86Å; T83-K86 HydrophobicContact CG2-CG 3.78Å; T83-K86 VanDerWaalsContact O-CB 3.3Å; T83-K86 WeakPolarHBondContact O-CB 3.41Å; T83-K86 PolarHBondContact O-N 3.47Å; P84-K86 PolarHBondContact O-N 3.42Å; K86-R142 WeakPolarHBondContact O-CA 3.24Å; K86-F143 PolarHBondContact O-N 2.82Å
87	L	96.1	Very high	95.3	Very high	14 Å²	14	38 Å²	38	7%	0.073	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.3	-176.6	-165	78.6	0	0	0	111.3	P50 D51 Y52 V140 H141 R142	P50-L87 HydrophobicContact CB-CD2 4.5Å; D51-L87 PolarHBondContact N-O 2.76Å; D51-L87 PolarHBondContact OD2-N 2.79Å; Y52-L87 PolarHBondContact N-O 2.77Å; L87-V140 HydrophobicContact CD1-CB 4.25Å; L87-V140 HydrophobicContact CD2-CB 4.38Å; L87-V140 HydrophobicContact CD2-CG1 4.39Å; L87-V140 HydrophobicContact CG-CB 4.37Å; L87-H141 WeakPolarHBondContact CA-O 3.42Å; L87-H141 WeakPolarHBondContact CD1-O 3.34Å; L87-R142 HydrophobicContact CD1-CB 4.18Å
88	I	97.1	Very high	95.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.2	167.9	-176.7	166.4	0	0	0	110.5	L8 F10 Y52 F54 V79 I90 V140 H141 F143 F153	L8-I88 HydrophobicContact CD1-CD1 3.69Å; F10-I88 HydrophobicContact CZ-CD1 4.47Å; Y52-I88 CarbonylContact O-C 3.55Å; Y52-I88 VanDerWaalsContact O-CA 3.31Å; Y52-I88 WeakPolarHBondContact O-CA 3.5Å; F54-I88 HydrophobicContact CD2-CD1 3.85Å; F54-I88 HydrophobicContact CD2-CG1 4.14Å; F54-I88 HydrophobicContact CE2-CD1 3.87Å; F54-I88 HydrophobicContact CE2-CG1 4.37Å; V79-I88 HydrophobicContact CG1-CD1 4.3Å; I88-I90 HydrophobicContact CD1-CD1 3.74Å; I88-I90 HydrophobicContact CD1-CG1 4.47Å; I88-I90 HydrophobicContact CG1-CD1 3.92Å; I88-I90 HydrophobicContact CG1-CG1 4.32Å; I88-V140 CarbonylContact O-C 3.54Å; I88-V140 VanDerWaalsContact O-CA 3.27Å; I88-V140 WeakPolarHBondContact O-CA 3.19Å; I88-H141 HydrophobicContact CG2-CB 4.08Å; I88-H141 WeakPolarHBondContact CG2-O 3.39Å; I88-H141 PolarHBondContact N-O 3.17Å; I88-H141 PolarHBondContact O-N 2.8Å; I88-F143 HydrophobicContact CB-CE2 3.7Å; I88-F143 HydrophobicContact CB-CZ 3.99Å; I88-F143 HydrophobicContact CD1-CE2 4.24Å; I88-F143 HydrophobicContact CD1-CZ 3.85Å; I88-F143 HydrophobicContact CG2-CD2 4.3Å; I88-F143 HydrophobicContact CG2-CE1 4.28Å; I88-F143 HydrophobicContact CG2-CE2 3.7Å; I88-F143 HydrophobicContact CG2-CZ 3.68Å; I88-F153 HydrophobicContact CG2-CZ 4.49Å
89	K	98	Very high	94.8	Very high	57 Å²	57	39.2 Å²	39.2	25%	0.248	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.3	168.1	-179.3	171.6	152.4	-146.9	0	109.4	P50 Y52 E53 F54 N91 F139 V140	P50-K89 HydrophobicContact CB-CB 3.79Å; P50-K89 HydrophobicContact CG-CB 4.18Å; P50-K89 HydrophobicContact CG-CD 4.33Å; Y52-K89 PolarHBondContact O-N 2.82Å; E53-K89 WeakPolarHBondContact CA-O 3.1Å; E53-K89 HydrophobicContact CB-CB 4.26Å; E53-K89 VanDerWaalsContact CD-CE 3.43Å; E53-K89 HydrophobicContact CG-CB 4.02Å; E53-K89 HydrophobicContact CG-CD 4.14Å; E53-K89 HydrophobicContact CG-CG 4.08Å; E53-K89 WeakPolarHBondContact OE1-CE 3.34Å; E53-K89 IonicContact OE1-NZ 2.67Å; E53-K89 PolarHBondContact OE1-NZ 2.76Å; E53-K89 WeakPolarHBondContact OE2-CD 3.18Å; E53-K89 WeakPolarHBondContact OE2-CE 3.25Å; E53-K89 IonicContact OE2-NZ 3.7Å; E53-K89 PolarHBondContact OE2-NZ 3.5Å; F54-K89 PolarHBondContact N-O 3.43Å; K89-N91 WeakPolarHBondContact CE-OD1 3.24Å; K89-F139 WeakPolarHBondContact CA-O 3.45Å; K89-V140 HydrophobicContact CB-CG1 3.91Å; K89-V140 HydrophobicContact CD-CG1 4.34Å; K89-V140 HydrophobicContact CG-CG1 3.99Å
90	I	98.4	Very high	94.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.7	175.9	-60.9	-61	0	0	0	108.3	F10 F54 V56 F77 I88 I92 S138 F139	F10-I90 HydrophobicContact CE1-CD1 4.19Å; F54-I90 HydrophobicContact CB-CD1 4.23Å; F54-I90 HydrophobicContact CD2-CD1 4.39Å; V56-I90 HydrophobicContact CG1-CD1 4.46Å; V56-I90 HydrophobicContact CG1-CG2 4.17Å; V56-I90 HydrophobicContact CG2-CG2 3.59Å; F77-I90 HydrophobicContact CZ-CG2 4.22Å; I88-I90 HydrophobicContact CD1-CD1 3.74Å; I88-I90 HydrophobicContact CD1-CG1 4.47Å; I88-I90 HydrophobicContact CG1-CD1 3.92Å; I88-I90 HydrophobicContact CG1-CG1 4.32Å; I90-I92 HydrophobicContact CG2-CG1 4Å; I90-S138 VanDerWaalsContact O-CA 3.29Å; I90-S138 WeakPolarHBondContact O-CA 3.11Å; I90-F139 HydrophobicContact CB-CD1 4.48Å; I90-F139 HydrophobicContact CB-CD2 4.49Å; I90-F139 HydrophobicContact CB-CE1 3.99Å; I90-F139 HydrophobicContact CB-CE2 3.99Å; I90-F139 HydrophobicContact CB-CZ 3.73Å; I90-F139 HydrophobicContact CG1-CE2 4.13Å; I90-F139 HydrophobicContact CG1-CZ 4.15Å; I90-F139 HydrophobicContact CG2-CE1 3.86Å; I90-F139 HydrophobicContact CG2-CZ 3.77Å; I90-F139 PolarHBondContact N-O 2.8Å; I90-F139 PolarHBondContact O-N 2.9Å
91	N	98	Very high	94.5	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.6	170.2	-49.9	-43.9	0	0	0	108.4	E53 F54 N55 V56 K89 M93 V136 S138	E53-N91 PolarHBondContact OE1-ND2 2.88Å; F54-N91 PolarHBondContact O-N 3.29Å; N55-N91 CarbonylContact C-O 3.52Å; N55-N91 WeakPolarHBondContact CA-O 3.33Å; N55-N91 WeakPolarHBondContact OD1-CB 3.34Å; N55-N91 PolarHBondContact OD1-ND2 2.81Å; V56-N91 PolarHBondContact N-O 2.98Å; K89-N91 WeakPolarHBondContact CE-OD1 3.24Å; N91-M93 HydrophobicContact CB-SD 3.61Å; N91-M93 PolarHBondContact O-N 2.96Å; N91-V136 HydrophobicContact CB-CG1 4.32Å; N91-S138 WeakPolarHBondContact OD1-CB 3.3Å; N91-S138 PolarHBondContact OD1-OG 2.86Å
92	I	97.9	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.1	173.8	-46.2	-172.9	0	0	0	108.1	V56 T58 F75 I90 M95 V136 L137 F139	V56-I92 HydrophobicContact CG2-CB 4.11Å; V56-I92 HydrophobicContact CG2-CG1 3.71Å; V56-I92 HydrophobicContact CG2-CG2 4.26Å; V56-I92 CarbonylContact O-C 3.59Å; V56-I92 WeakPolarHBondContact O-CA 3.32Å; T58-I92 HydrophobicContact CG2-CG2 3.89Å; F75-I92 HydrophobicContact CB-CD1 4.38Å; F75-I92 HydrophobicContact CD1-CD1 3.43Å; F75-I92 VanDerWaalsContact CD1-CD1 3.43Å; F75-I92 HydrophobicContact CD2-CD1 3.75Å; F75-I92 HydrophobicContact CE1-CD1 3.39Å; F75-I92 HydrophobicContact CE2-CD1 3.72Å; F75-I92 HydrophobicContact CG-CD1 3.6Å; F75-I92 HydrophobicContact CZ-CD1 3.53Å; I90-I92 HydrophobicContact CG2-CG1 4Å; I92-M95 HydrophobicContact CB-CG 4.27Å; I92-M95 HydrophobicContact CB-SD 4.26Å; I92-M95 HydrophobicContact CD1-SD 4.37Å; I92-M95 HydrophobicContact CG2-CG 3.64Å; I92-M95 HydrophobicContact CG2-SD 4.13Å; I92-V136 CarbonylContact O-C 3.52Å; I92-V136 VanDerWaalsContact O-CA 3.31Å; I92-V136 WeakPolarHBondContact O-CA 3.44Å; I92-L137 HydrophobicContact CB-CB 4.43Å; I92-L137 HydrophobicContact CD1-CD2 4.43Å; I92-L137 PolarHBondContact N-O 2.99Å; I92-L137 PolarHBondContact O-N 2.88Å; I92-F139 HydrophobicContact CD1-CE1 3.94Å; I92-F139 HydrophobicContact CG1-CE1 4.05Å
93	M	96.5	Very high	94.8	Very high	40 Å²	40	39.6 Å²	39.6	20%	0.197	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-34.8	-163.1	-55.4	-54.2	-73.3	0	0	114.1	N55 V56 W57 N91 V136	N55-M93 HydrophobicContact CB-CG 3.88Å; N55-M93 HydrophobicContact CB-SD 3.94Å; V56-M93 PolarHBondContact O-N 2.87Å; W57-M93 HydrophobicContact CD2-CB 4.36Å; W57-M93 HydrophobicContact CD2-CG 4.27Å; W57-M93 HydrophobicContact CH2-CG 4.17Å; W57-M93 HydrophobicContact CZ2-CB 4.17Å; W57-M93 HydrophobicContact CZ2-CG 3.73Å; N91-M93 HydrophobicContact CB-SD 3.61Å; N91-M93 PolarHBondContact O-N 2.96Å; M93-V136 HydrophobicContact CE-CG1 4.38Å; M93-V136 HydrophobicContact CE-CG2 4.26Å; M93-V136 HydrophobicContact SD-CG1 3.88Å
94	N	94.4	Very high	94.8	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	24.8	-161.1	75.8	-16.6	0	0	0	115.6	T58 R72 Q134	T58-N94 PolarHBondContact N-OD1 3.03Å; T58-N94 PolarHBondContact O-ND2 2.96Å; T58-N94 PolarHBondContact OG1-OD1 2.89Å; R72-N94 PolarHBondContact NH1-ND2 2.89Å; N94-Q134 VanDerWaalsContact CA-OE1 3.23Å
95	M	92.7	Very high	94.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	155.6	179.1	-67.2	-173.6	76.2	0	0	111.8	R72 S73 F75 I92 F135 L137 F155	R72-M95 CarbonylContact O-C 3.57Å; R72-M95 VanDerWaalsContact O-CA 3.24Å; R72-M95 WeakPolarHBondContact O-CA 3.42Å; S73-M95 WeakPolarHBondContact O-CE 3.38Å; F75-M95 HydrophobicContact CD1-CE 3.97Å; F75-M95 HydrophobicContact CD1-SD 4.17Å; F75-M95 HydrophobicContact CE1-CE 3.9Å; F75-M95 HydrophobicContact CE1-SD 4.01Å; I92-M95 HydrophobicContact CB-CG 4.27Å; I92-M95 HydrophobicContact CB-SD 4.26Å; I92-M95 HydrophobicContact CD1-SD 4.37Å; I92-M95 HydrophobicContact CG2-CG 3.64Å; I92-M95 HydrophobicContact CG2-SD 4.13Å; M95-F135 HydrophobicContact CB-CD1 4.03Å; M95-F135 PolarHBondContact N-O 2.84Å; M95-F135 WeakPolarHBondContact O-CB 3.38Å; M95-F135 PolarHBondContact O-N 2.87Å; M95-L137 HydrophobicContact SD-CB 3.93Å; M95-L137 HydrophobicContact SD-CD2 3.76Å; M95-F155 HydrophobicContact CE-CD2 3.89Å; M95-F155 HydrophobicContact CE-CE2 3.99Å
96	N	92.6	Very high	94.9	Very high	45 Å²	45	35.1 Å²	35.1	24%	0.241	18%	0.176	C	C	.	.			trans	-65.2	161.6	163.3	-50.6	134.4	0	0	0	110.6	G70 R72 S73 Q98	G70-N96 PolarHBondContact O-ND2 3.13Å; R72-N96 PolarHBondContact N-OD1 2.8Å; R72-N96 PolarHBondContact O-N 3.08Å; R72-N96 PolarHBondContact O-OD1 2.95Å; S73-N96 WeakPolarHBondContact OG-CB 3.4Å; S73-N96 PolarHBondContact OG-OD1 2.9Å; N96-Q98 PolarHBondContact O-N 2.99Å
97	K	92.4	Very high	95.1	Very high	146 Å²	146	30.9 Å²	30.9	64%	0.635	16%	0.158	S	C	*	.			trans	-66.1	89.1	-175.2	-170.9	166.4	-173.6	152.5	0	114.2	S99 M130	K97-S99 WeakPolarHBondContact CE-OG 3.19Å; K97-S99 WeakPolarHBondContact CG-OG 3.13Å; K97-M130 HydrophobicContact CD-CE 4.3Å; K97-M130 HydrophobicContact CD-SD 3.76Å; K97-M130 HydrophobicContact CG-SD 3.85Å
98	Q	93.4	Very high	95.2	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.07	15%	0.154	C	C	.	.			trans	-96.7	19.4	177.3	-62	-62.7	-4.4	0	0	113.9	S73 N96 K100 L101 Y102 F135 A437	S73-Q98 PolarHBondContact OG-NE2 3.31Å; N96-Q98 PolarHBondContact O-N 2.99Å; Q98-K100 PolarHBondContact O-N 2.76Å; Q98-L101 HydrophobicContact CB-CB 4.49Å; Q98-L101 WeakPolarHBondContact O-CB 3.32Å; Q98-L101 PolarHBondContact O-N 3.17Å; Q98-Y102 HydrophobicContact CB-CD2 3.76Å; Q98-Y102 HydrophobicContact CB-CE2 3.67Å; Q98-Y102 HydrophobicContact CG-CE2 4.46Å; Q98-Y102 PolarHBondContact O-N 2.78Å; Q98-F135 HydrophobicContact CB-CD1 4.36Å; Q98-F135 HydrophobicContact CB-CE1 3.94Å; Q98-F135 HydrophobicContact CB-CZ 4.29Å; Q98-A437 VanDerWaalsContact OE1-CB 3.28Å
99	S	92.9	Very high	95.2	Very high	22 Å²	22	30.1 Å²	30.1	15%	0.154	15%	0.154	C	C	.	.	H	α-helix	trans	-54.8	-26.2	-174.1	-30.9	0	0	0	0	114.8	K97 S103 F135	K97-S99 WeakPolarHBondContact CE-OG 3.19Å; K97-S99 WeakPolarHBondContact CG-OG 3.13Å; S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 3.01Å; S99-S103 VanDerWaalsContact O-N 3.15Å; S99-S103 PolarHBondContact O-OG 2.93Å; S99-F135 VanDerWaalsContact CA-CE2 3.48Å; S99-F135 WeakPolarHBondContact OG-CD2 3.26Å; S99-F135 WeakPolarHBondContact OG-CE2 3.49Å
100	K	92.9	Very high	95.2	Very high	129 Å²	129	27.5 Å²	27.5	56%	0.561	14%	0.143	S	C	*	.	H	α-helix	trans	-73.9	-37.5	174.3	-72.6	-172.7	177.7	-178.8	0	112.7	Q98 S103 Q104	Q98-K100 PolarHBondContact O-N 2.76Å; K100-S103 PolarHBondContact O-OG 2.67Å; K100-Q104 WeakPolarHBondContact O-CB 3.38Å; K100-Q104 WeakPolarHBondContact O-CG 3.47Å; K100-Q104 PolarHBondContact O-N 3.08Å; K100-Q104 PolarHBondContact O-NE2 3.21Å
101	L	94.9	Very high	95.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-71.4	-46.4	-178.8	177.7	58.2	0	0	0	110.7	Q98 Q104 M106 F155 A437 Y519 N520	Q98-L101 HydrophobicContact CB-CB 4.49Å; Q98-L101 WeakPolarHBondContact O-CB 3.32Å; Q98-L101 PolarHBondContact O-N 3.17Å; L101-Q104 PolarHBondContact O-N 2.75Å; L101-M106 HydrophobicContact CD1-CB 3.76Å; L101-M106 HydrophobicContact CD1-CG 3.96Å; L101-M106 HydrophobicContact CD1-SD 4.29Å; L101-M106 HydrophobicContact CD2-CB 4.49Å; L101-M106 HydrophobicContact CD2-CG 4.07Å; L101-M106 HydrophobicContact CG-CB 3.62Å; L101-M106 HydrophobicContact CG-CG 3.73Å; L101-M106 VanDerWaalsContact O-CB 3.26Å; L101-M106 WeakPolarHBondContact O-CB 3.42Å; L101-M106 PolarHBondContact O-N 2.71Å; L101-F155 HydrophobicContact CD2-CE2 4.09Å; L101-F155 HydrophobicContact CD2-CZ 3.61Å; L101-A437 WeakPolarHBondContact CB-O 3.45Å; L101-A437 WeakPolarHBondContact CD1-O 3.46Å; L101-A437 HydrophobicContact CD2-CB 4.1Å; L101-Y519 HydrophobicContact CD2-CD2 4.32Å; L101-N520 HydrophobicContact CD1-CB 4.22Å
102	Y	95.4	Very high	95.1	Very high	6 Å²	6	30 Å²	30	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-75.3	-31.9	179.9	-67.1	-78.8	0	0	0	113.4	Q98 Q104 G105 M106 F128 F135 L137 F155	Q98-Y102 HydrophobicContact CB-CD2 3.76Å; Q98-Y102 HydrophobicContact CB-CE2 3.67Å; Q98-Y102 HydrophobicContact CG-CE2 4.46Å; Q98-Y102 PolarHBondContact O-N 2.78Å; Y102-Q104 PolarHBondContact O-N 2.62Å; Y102-G105 PolarHBondContact O-N 2.77Å; Y102-M106 HydrophobicContact CD1-CB 3.93Å; Y102-M106 HydrophobicContact CD1-CG 4.16Å; Y102-M106 WeakPolarHBondContact CD1-O 3.31Å; Y102-M106 HydrophobicContact CE1-CB 4.12Å; Y102-M106 HydrophobicContact CE1-CG 3.81Å; Y102-M106 HydrophobicContact CG-CB 4.44Å; Y102-F128 VanDerWaalsContact CB-CD1 3.49Å; Y102-F135 AromaticContact CD2-CE1 3.73Å; Y102-F135 HydrophobicContact CD2-CE1 3.73Å; Y102-F135 AromaticContact CD2-CZ 3.7Å; Y102-F135 HydrophobicContact CD2-CZ 3.7Å; Y102-F135 HydrophobicContact CE2-CE1 4Å; Y102-F135 HydrophobicContact CE2-CZ 4.43Å; Y102-F135 HydrophobicContact CG-CZ 4.38Å; Y102-L137 HydrophobicContact CD1-CD1 3.58Å; Y102-L137 HydrophobicContact CD2-CD1 4.14Å; Y102-L137 HydrophobicContact CE1-CD1 3.59Å; Y102-L137 HydrophobicContact CE1-CD2 3.76Å; Y102-L137 HydrophobicContact CE1-CG 4.35Å; Y102-L137 HydrophobicContact CE2-CD1 4.14Å; Y102-L137 HydrophobicContact CE2-CD2 4.11Å; Y102-L137 HydrophobicContact CG-CD1 3.88Å; Y102-L137 VanDerWaalsContact CZ-CD2 3.48Å; Y102-L137 WeakPolarHBondContact OH-CD2 3.26Å; Y102-F155 HydrophobicContact CE2-CE2 4.45Å; Y102-F155 WeakPolarHBondContact OH-CD2 3.27Å; Y102-F155 WeakPolarHBondContact OH-CE2 3.43Å
103	S	94.1	Very high	95	Very high	70 Å²	70	32.9 Å²	32.9	49%	0.49	17%	0.167	S	C	.	.	H	α-helix	trans	-66.9	-23.8	170.8	59.2	0	0	0	0	113.3	S99 K100 G105	S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 3.01Å; S99-S103 VanDerWaalsContact O-N 3.15Å; S99-S103 PolarHBondContact O-OG 2.93Å; K100-S103 PolarHBondContact O-OG 2.67Å; S103-G105 PolarHBondContact O-N 2.73Å
104	Q	93.3	Very high	94.8	Very high	53 Å²	53	35.5 Å²	35.5	25%	0.248	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.1	170.5	-67.3	162.6	17.1	0	0	113.4	K100 L101 Y102 S438 R440 N520	K100-Q104 WeakPolarHBondContact O-CB 3.38Å; K100-Q104 WeakPolarHBondContact O-CG 3.47Å; K100-Q104 PolarHBondContact O-N 3.08Å; K100-Q104 PolarHBondContact O-NE2 3.21Å; L101-Q104 PolarHBondContact O-N 2.75Å; Y102-Q104 PolarHBondContact O-N 2.62Å; Q104-S438 PolarHBondContact NE2-O 2.79Å; Q104-S438 VanDerWaalsContact NE2-O 3.07Å; Q104-R440 HydrophobicContact CG-CG 4.25Å; Q104-N520 PolarHBondContact O-ND2 2.88Å
105	G	92.9	Very high	94.6	Very high	21 Å²	21	38.4 Å²	38.4	22%	0.216	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	22.7	175.8	0	0	0	0	0	115.1	Y102 S103 N520 R549	Y102-G105 PolarHBondContact O-N 2.77Å; S103-G105 PolarHBondContact O-N 2.73Å; G105-N520 PolarHBondContact O-ND2 2.98Å; G105-N520 PolarHBondContact O-OD1 3.44Å; G105-R549 VanDerWaalsContact O-CZ 3.32Å; G105-R549 PolarHBondContact O-NH1 2.77Å
106	M	95.5	Very high	94.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.22	C	C	.	.			trans	-59.1	144.3	166	-177.2	64.8	-178.2	0	0	110.1	L101 Y102 F109 R121 F155 C156 N520	L101-M106 HydrophobicContact CD1-CB 3.76Å; L101-M106 HydrophobicContact CD1-CG 3.96Å; L101-M106 HydrophobicContact CD1-SD 4.29Å; L101-M106 HydrophobicContact CD2-CB 4.49Å; L101-M106 HydrophobicContact CD2-CG 4.07Å; L101-M106 HydrophobicContact CG-CB 3.62Å; L101-M106 HydrophobicContact CG-CG 3.73Å; L101-M106 VanDerWaalsContact O-CB 3.26Å; L101-M106 WeakPolarHBondContact O-CB 3.42Å; L101-M106 PolarHBondContact O-N 2.71Å; Y102-M106 HydrophobicContact CD1-CB 3.93Å; Y102-M106 HydrophobicContact CD1-CG 4.16Å; Y102-M106 WeakPolarHBondContact CD1-O 3.31Å; Y102-M106 HydrophobicContact CE1-CB 4.12Å; Y102-M106 HydrophobicContact CE1-CG 3.81Å; Y102-M106 HydrophobicContact CG-CB 4.44Å; M106-F109 HydrophobicContact CE-CE2 4.26Å; M106-R121 PolarHBondContact SD-NH1 2.75Å; M106-F155 WeakPolarHBondContact CE-O 3.29Å; M106-C156 HydrophobicContact CE-CB 4.01Å; M106-N520 HydrophobicContact CB-CB 4.13Å; M106-N520 PolarHBondContact N-ND2 2.67Å; M106-N520 HydrophobicContact SD-CB 3.8Å
107	A	97.1	Very high	94.6	Very high	1 Å²	1	44 Å²	44	1%	0.008	23%	0.233	C	C	.	.			trans	-135.7	144.8	168.2	0	0	0	0	0	109.5	R121 I122 P126	A107-R121 HydrophobicContact CB-CB 4.32Å; A107-R121 PolarHBondContact O-NH1 2.88Å; A107-I122 HydrophobicContact CB-CB 4.47Å; A107-P126 HydrophobicContact CB-CG 3.97Å
108	P	97.8	Very high	94.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.			trans	-54.7	164.3	170	-23.4	34.1	0	0	0	111.9	F75 R121 I122 L137 F139 A154	F75-P108 HydrophobicContact CE2-CB 4.2Å; F75-P108 HydrophobicContact CZ-CB 3.89Å; F75-P108 HydrophobicContact CZ-CG 3.95Å; P108-R121 CarbonylContact O-C 3.6Å; P108-R121 WeakPolarHBondContact O-CA 3.26Å; P108-I122 HydrophobicContact CB-CG1 4.01Å; P108-I122 HydrophobicContact CG-CG1 4.49Å; P108-I122 PolarHBondContact O-N 3.22Å; P108-L137 HydrophobicContact CG-CD2 4.2Å; P108-F139 HydrophobicContact CG-CD1 3.86Å; P108-F139 HydrophobicContact CG-CE1 4.06Å; P108-F139 HydrophobicContact CG-CG 4.15Å; P108-A154 WeakPolarHBondContact CA-O 3.35Å
109	F	98.1	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	149.2	175.7	-78.5	-98.1	0	0	0	112	M106 W119 E120 R121 F153 A154 C156 Y157	M106-F109 HydrophobicContact CE-CE2 4.26Å; F109-W119 HydrophobicContact CB-CE3 3.84Å; F109-W119 HydrophobicContact CB-CZ3 4.24Å; F109-W119 HydrophobicContact CD1-CB 4.32Å; F109-E120 CarbonylContact C-O 3.59Å; F109-E120 VanDerWaalsContact CA-O 3.24Å; F109-E120 WeakPolarHBondContact CA-O 3.34Å; F109-E120 VanDerWaalsContact CD1-C 3.5Å; F109-E120 VanDerWaalsContact CD1-O 3.25Å; F109-E120 WeakPolarHBondContact CD1-O 3.38Å; F109-R121 HydrophobicContact CD1-CG 4Å; F109-R121 HydrophobicContact CD2-CG 4.3Å; F109-R121 HydrophobicContact CE1-CG 3.42Å; F109-R121 VanDerWaalsContact CE1-CG 3.42Å; F109-R121 HydrophobicContact CE2-CG 3.83Å; F109-R121 VanDerWaalsContact CE2-NH1 3.31Å; F109-R121 HydrophobicContact CG-CG 4.43Å; F109-R121 HydrophobicContact CZ-CG 3.37Å; F109-F153 WeakPolarHBondContact O-CA 3.45Å; F109-A154 PolarHBondContact N-O 2.91Å; F109-A154 PolarHBondContact O-N 2.99Å; F109-C156 VanDerWaalsContact CD2-CA 3.49Å; F109-C156 HydrophobicContact CE2-CB 4.43Å; F109-Y157 AromaticContact CD1-CD1 3.92Å; F109-Y157 HydrophobicContact CD1-CD1 3.92Å; F109-Y157 AromaticContact CD1-CE1 3.83Å; F109-Y157 HydrophobicContact CD1-CE1 3.83Å; F109-Y157 HydrophobicContact CD1-CG 4.33Å; F109-Y157 AromaticContact CE1-CD1 3.72Å; F109-Y157 HydrophobicContact CE1-CD1 3.72Å; F109-Y157 AromaticContact CE1-CD2 3.86Å; F109-Y157 HydrophobicContact CE1-CD2 3.86Å; F109-Y157 AromaticContact CE1-CE1 3.33Å; F109-Y157 HydrophobicContact CE1-CE1 3.33Å; F109-Y157 AromaticContact CE1-CE2 3.47Å; F109-Y157 HydrophobicContact CE1-CE2 3.47Å; F109-Y157 VanDerWaalsContact CE1-CE2 3.47Å; F109-Y157 AromaticContact CE1-CG 3.98Å; F109-Y157 HydrophobicContact CE1-CG 3.98Å; F109-Y157 AromaticContact CE1-CZ 3.19Å; F109-Y157 HydrophobicContact CE2-CD2 4.2Å; F109-Y157 HydrophobicContact CE2-CE2 4.31Å; F109-Y157 HydrophobicContact CZ-CD1 4.27Å; F109-Y157 AromaticContact CZ-CD2 3.56Å; F109-Y157 HydrophobicContact CZ-CD2 3.56Å; F109-Y157 HydrophobicContact CZ-CE1 4.06Å; F109-Y157 AromaticContact CZ-CE2 3.28Å; F109-Y157 HydrophobicContact CZ-CE2 3.28Å; F109-Y157 HydrophobicContact CZ-CG 4.05Å; F109-Y157 AromaticContact CZ-CZ 3.57Å
110	V	98.2	Very high	95.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.7	179.2	66.7	0	0	0	0	111.4	W119 E120 I122 T151 F152 F153	V110-W119 VanDerWaalsContact C-CE3 3.42Å; V110-E120 HydrophobicContact CG1-CG 3.56Å; V110-E120 PolarHBondContact N-O 2.89Å; V110-E120 PolarHBondContact O-N 2.74Å; V110-I122 HydrophobicContact CB-CD1 3.78Å; V110-I122 HydrophobicContact CG1-CD1 3.87Å; V110-I122 HydrophobicContact CG2-CD1 4.41Å; V110-T151 HydrophobicContact CG2-CG2 3.38Å; V110-F152 VanDerWaalsContact CA-O 3.26Å; V110-F152 WeakPolarHBondContact CA-O 3.4Å; V110-F153 HydrophobicContact CB-CD1 4.11Å; V110-F153 HydrophobicContact CB-CE1 4.22Å; V110-F153 HydrophobicContact CG2-CD1 3.84Å; V110-F153 HydrophobicContact CG2-CE1 3.6Å; V110-F153 HydrophobicContact CG2-CZ 4.41Å
111	R	96.9	Very high	95.3	Very high	60 Å²	60	45 Å²	45	23%	0.226	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.4	174	173	174	69.1	168.5	0.8	108.2	L113 P117 W119 T151 F152	R111-L113 HydrophobicContact CG-CD2 4.25Å; R111-L113 HydrophobicContact CG-CG 4.45Å; R111-P117 WeakPolarHBondContact CD-O 3.49Å; R111-W119 HydrophobicContact CB-CD2 3.64Å; R111-W119 HydrophobicContact CB-CE3 3.51Å; R111-W119 HydrophobicContact CB-CG 4.27Å; R111-W119 HydrophobicContact CB-CH2 4.14Å; R111-W119 HydrophobicContact CB-CZ2 4.21Å; R111-W119 HydrophobicContact CB-CZ3 3.79Å; R111-T151 CarbonylContact O-C 3.44Å; R111-T151 WeakPolarHBondContact O-CA 3.49Å; R111-F152 PolarHBondContact N-O 2.94Å; R111-F152 VanDerWaalsContact N-O 3.11Å; R111-F152 PolarHBondContact O-N 3.49Å
112	T	96.6	Very high	95.4	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.6	179	-57.9	0	0	0	0	109.9	P114 T115 R116 A149 T150 T151	T112-P114 CarbonylContact O-C 3.6Å; T112-T115 PolarHBondContact O-N 2.92Å; T112-R116 PolarHBondContact N-O 2.84Å; T112-R116 VanDerWaalsContact N-O 3.11Å; T112-R116 CarbonylContact O-C 3.54Å; T112-R116 WeakPolarHBondContact O-CA 3.27Å; T112-R116 PolarHBondContact O-N 3.18Å; T112-R116 VanDerWaalsContact O-O 3.05Å; T112-A149 HydrophobicContact CG2-CB 4.03Å; T112-T150 CarbonylContact C-O 3.45Å; T112-T150 WeakPolarHBondContact CA-O 3.16Å; T112-T151 WeakPolarHBondContact CG2-OG1 3.48Å; T112-T151 PolarHBondContact OG1-OG1 2.85Å
113	L	95.4	Very high	95.3	Very high	60 Å²	60	53.8 Å²	53.8	31%	0.314	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137	178	-62.3	179.9	0	0	0	110.5	R111 P117 A149 T150 F152	R111-L113 HydrophobicContact CG-CD2 4.25Å; R111-L113 HydrophobicContact CG-CG 4.45Å; L113-P117 HydrophobicContact CD2-CB 3.66Å; L113-A149 WeakPolarHBondContact O-CA 3.21Å; L113-T150 PolarHBondContact N-O 3.42Å; L113-T150 PolarHBondContact O-N 2.82Å; L113-F152 HydrophobicContact CB-CE2 4.32Å; L113-F152 HydrophobicContact CD1-CD2 4.48Å; L113-F152 HydrophobicContact CD1-CE2 3.77Å; L113-F152 HydrophobicContact CD1-CZ 4.31Å; L113-F152 HydrophobicContact CG-CD2 4.45Å; L113-F152 HydrophobicContact CG-CE2 4.03Å
114	P	92.9	Very high	95.3	Very high	95 Å²	95	54.8 Å²	54.8	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.7	-19.8	-2.7	33.6	-35	0	0	0	114.4	T112 R116	T112-P114 CarbonylContact O-C 3.6Å; P114-R116 VanDerWaalsContact C-N 3.3Å; P114-R116 PolarHBondContact O-N 2.82Å; P114-R116 VanDerWaalsContact O-N 3.08Å
115	T	90.9	Very high	95.4	Very high	72 Å²	72	61.9 Å²	61.9	44%	0.442	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.2	-164.4	-47.7	0	0	0	0	115.5	T112 L144 E145	T112-T115 PolarHBondContact O-N 2.92Å; T115-L144 HydrophobicContact CG2-CB 4.45Å; T115-E145 WeakPolarHBondContact CG2-O 3.47Å; T115-E145 PolarHBondContact OG1-O 3.1Å
116	R	92.8	Very high	95.6	Very high	88 Å²	88	61.4 Å²	61.4	33%	0.332	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	83.1	-174.5	-163	161.1	-178.5	-139.1	-17.7	111.2	T112 P114 R118 E120 L144	T112-R116 PolarHBondContact N-O 2.84Å; T112-R116 VanDerWaalsContact N-O 3.11Å; T112-R116 CarbonylContact O-C 3.54Å; T112-R116 WeakPolarHBondContact O-CA 3.27Å; T112-R116 PolarHBondContact O-N 3.18Å; T112-R116 VanDerWaalsContact O-O 3.05Å; P114-R116 VanDerWaalsContact C-N 3.3Å; P114-R116 PolarHBondContact O-N 2.82Å; P114-R116 VanDerWaalsContact O-N 3.08Å; R116-R118 VanDerWaalsContact C-N 3.3Å; R116-R118 PolarHBondContact O-N 3.23Å; R116-E120 VanDerWaalsContact CZ-CD 3.46Å; R116-E120 IonicContact CZ-OE1 3.71Å; R116-E120 IonicContact CZ-OE2 3.2Å; R116-E120 IonicContact NH1-OE1 3.79Å; R116-E120 PolarHBondContact NH1-OE1 3.05Å; R116-E120 IonicContact NH1-OE2 2.72Å; R116-E120 PolarHBondContact NH1-OE2 2.89Å; R116-E120 VanDerWaalsContact NH2-CD 3.33Å; R116-E120 IonicContact NH2-OE1 2.84Å; R116-E120 IonicContact NH2-OE2 2.84Å; R116-E120 PolarHBondContact NH2-OE2 3.13Å; R116-L144 HydrophobicContact CB-CD1 3.98Å
117	P	93.1	Very high	95.6	Very high	79 Å²	79	65.8 Å²	65.8	51%	0.513	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-0.4	-168.5	32.6	-37	0	0	0	115.3	R111 L113	R111-P117 WeakPolarHBondContact CD-O 3.49Å; L113-P117 HydrophobicContact CD2-CB 3.66Å
118	R	95.4	Very high	95.6	Very high	215 Å²	215	69.3 Å²	69.3	81%	0.811	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.5	174.3	-65.8	-174.9	-179.3	-178.3	-0.5	110.5	R116 E120	R116-R118 VanDerWaalsContact C-N 3.3Å; R116-R118 PolarHBondContact O-N 3.23Å; R118-E120 PolarHBondContact O-N 2.77Å
119	W	97.3	Very high	95.4	Very high	47 Å²	47	74.5 Å²	74.5	18%	0.178	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.2	171.1	-73.7	111.5	0	0	0	111.1	Y76 F109 V110 R111 F152 A154 Y157 P158	Y76-W119 HydrophobicContact CD2-CH2 4.35Å; Y76-W119 AromaticContact CE2-CH2 3.72Å; Y76-W119 HydrophobicContact CE2-CH2 3.72Å; Y76-W119 AromaticContact CE2-CZ2 3.9Å; Y76-W119 HydrophobicContact CE2-CZ2 3.9Å; F109-W119 HydrophobicContact CB-CE3 3.84Å; F109-W119 HydrophobicContact CB-CZ3 4.24Å; F109-W119 HydrophobicContact CD1-CB 4.32Å; V110-W119 VanDerWaalsContact C-CE3 3.42Å; R111-W119 HydrophobicContact CB-CD2 3.64Å; R111-W119 HydrophobicContact CB-CE3 3.51Å; R111-W119 HydrophobicContact CB-CG 4.27Å; R111-W119 HydrophobicContact CB-CH2 4.14Å; R111-W119 HydrophobicContact CB-CZ2 4.21Å; R111-W119 HydrophobicContact CB-CZ3 3.79Å; W119-F152 HydrophobicContact CH2-CB 3.61Å; W119-F152 HydrophobicContact CZ2-CB 4.35Å; W119-F152 HydrophobicContact CZ3-CB 4.2Å; W119-A154 HydrophobicContact CH2-CB 3.96Å; W119-A154 HydrophobicContact CZ3-CB 4.06Å; W119-Y157 HydrophobicContact CB-CD1 3.88Å; W119-Y157 HydrophobicContact CB-CE1 4.01Å; W119-Y157 HydrophobicContact CG-CD1 4.49Å; W119-P158 HydrophobicContact CD2-CG 4.46Å; W119-P158 HydrophobicContact CH2-CG 4.1Å; W119-P158 HydrophobicContact CZ2-CG 3.35Å
120	E	96.4	Very high	95.1	Very high	39 Å²	39	78.2 Å²	78.2	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	163.7	167.4	71.7	176.3	155.7	0	0	110.5	F109 V110 R116 R118 R123	F109-E120 CarbonylContact C-O 3.59Å; F109-E120 VanDerWaalsContact CA-O 3.24Å; F109-E120 WeakPolarHBondContact CA-O 3.34Å; F109-E120 VanDerWaalsContact CD1-C 3.5Å; F109-E120 VanDerWaalsContact CD1-O 3.25Å; F109-E120 WeakPolarHBondContact CD1-O 3.38Å; V110-E120 HydrophobicContact CG1-CG 3.56Å; V110-E120 PolarHBondContact N-O 2.89Å; V110-E120 PolarHBondContact O-N 2.74Å; R116-E120 VanDerWaalsContact CZ-CD 3.46Å; R116-E120 IonicContact CZ-OE1 3.71Å; R116-E120 IonicContact CZ-OE2 3.2Å; R116-E120 IonicContact NH1-OE1 3.79Å; R116-E120 PolarHBondContact NH1-OE1 3.05Å; R116-E120 IonicContact NH1-OE2 2.72Å; R116-E120 PolarHBondContact NH1-OE2 2.89Å; R116-E120 VanDerWaalsContact NH2-CD 3.33Å; R116-E120 IonicContact NH2-OE1 2.84Å; R116-E120 IonicContact NH2-OE2 2.84Å; R116-E120 PolarHBondContact NH2-OE2 3.13Å; R118-E120 PolarHBondContact O-N 2.77Å; E120-R123 IonicContact OE2-NE 2.79Å; E120-R123 IonicContact OE2-NH2 3.87Å
121	R	96.9	Very high	94.3	Very high	31 Å²	31	80.9 Å²	80.9	12%	0.117	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	146.1	167.1	-66.9	178.9	-176.2	-90.4	6.3	109.3	M106 A107 P108 F109 R123 Y519 N520 Y550	M106-R121 PolarHBondContact SD-NH1 2.75Å; A107-R121 HydrophobicContact CB-CB 4.32Å; A107-R121 PolarHBondContact O-NH1 2.88Å; P108-R121 CarbonylContact O-C 3.6Å; P108-R121 WeakPolarHBondContact O-CA 3.26Å; F109-R121 HydrophobicContact CD1-CG 4Å; F109-R121 HydrophobicContact CD2-CG 4.3Å; F109-R121 HydrophobicContact CE1-CG 3.42Å; F109-R121 VanDerWaalsContact CE1-CG 3.42Å; F109-R121 HydrophobicContact CE2-CG 3.83Å; F109-R121 VanDerWaalsContact CE2-NH1 3.31Å; F109-R121 HydrophobicContact CG-CG 4.43Å; F109-R121 HydrophobicContact CZ-CG 3.37Å; R121-R123 PolarHBondContact O-N 3.37Å; R121-Y519 PolarHBondContact NH2-O 3.19Å; R121-N520 PolarHBondContact NH1-OD1 2.82Å; R121-Y550 PolarHBondContact NH2-O 2.82Å
122	I	96.8	Very high	93.2	Very high	5 Å²	5	86.7 Å²	86.7	3%	0.026	41%	0.409	C	S	.	.			trans	-49	126.6	164.4	-65.1	-64.7	0	0	0	107.8	A107 P108 V110 D124 F139 V140 H141 F153	A107-I122 HydrophobicContact CB-CB 4.47Å; P108-I122 HydrophobicContact CB-CG1 4.01Å; P108-I122 HydrophobicContact CG-CG1 4.49Å; P108-I122 PolarHBondContact O-N 3.22Å; V110-I122 HydrophobicContact CB-CD1 3.78Å; V110-I122 HydrophobicContact CG1-CD1 3.87Å; V110-I122 HydrophobicContact CG2-CD1 4.41Å; I122-D124 VanDerWaalsContact CG2-O 3.31Å; I122-D124 WeakPolarHBondContact CG2-O 3.43Å; I122-F139 HydrophobicContact CD1-CD2 4Å; I122-F139 HydrophobicContact CD1-CE2 4.33Å; I122-F139 HydrophobicContact CG1-CD2 4Å; I122-F139 HydrophobicContact CG2-CB 4.28Å; I122-V140 WeakPolarHBondContact CG2-O 3.39Å; I122-H141 HydrophobicContact CD1-CB 4.3Å; I122-F153 HydrophobicContact CD1-CD1 4.11Å; I122-F153 HydrophobicContact CD1-CE1 3.97Å
123	R	93.2	Very high	92.2	Very high	186 Å²	186	92.9 Å²	92.9	70%	0.702	45%	0.447	S	S	*	.	S	Bend	trans	-71.2	-49.1	-173.3	-62.6	-179.2	179.9	-170.8	0.2	111.3	E120 R121	E120-R123 IonicContact OE2-NE 2.79Å; E120-R123 IonicContact OE2-NH2 3.87Å; R121-R123 PolarHBondContact O-N 3.37Å
124	D	93.8	Very high	91.6	Very high	91 Å²	91	94.4 Å²	94.4	49%	0.487	45%	0.452	S	S	.	.	S	Bend	trans	-70.8	142.8	178.2	-56.9	-56	0	0	0	110.5	I122 P126 V140	I122-D124 VanDerWaalsContact CG2-O 3.31Å; I122-D124 WeakPolarHBondContact CG2-O 3.43Å; D124-P126 VanDerWaalsContact O-CD 3.27Å; D124-P126 WeakPolarHBondContact O-CD 3.48Å; D124-V140 HydrophobicContact CB-CG2 3.7Å
125	R	94.9	Very high	91.6	Very high	202 Å²	202	89.9 Å²	89.9	76%	0.762	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-70.5	120.6	-175.4	179.9	179.2	178.4	172.4	0.7	110.1
126	P	96.9	Very high	91.9	Very high	12 Å²	12	86.7 Å²	86.7	8%	0.078	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.1	173.2	-21.5	33.9	0	0	0	111.8	A107 D124 L137 S138 F139	A107-P126 HydrophobicContact CB-CG 3.97Å; D124-P126 VanDerWaalsContact O-CD 3.27Å; D124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-L137 HydrophobicContact CB-CD1 3.97Å; P126-S138 CarbonylContact C-O 3.49Å; P126-S138 VanDerWaalsContact CA-O 3.25Å; P126-S138 WeakPolarHBondContact CA-O 3.43Å; P126-S138 WeakPolarHBondContact CB-O 3.41Å; P126-F139 HydrophobicContact CB-CB 4.17Å; P126-F139 HydrophobicContact CG-CB 4.23Å
127	T	97.1	Very high	92.1	Very high	94 Å²	94	82.5 Å²	82.5	58%	0.577	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	160	167.7	52.5	0	0	0	0	109.8	S138	T127-S138 PolarHBondContact N-O 2.78Å; T127-S138 PolarHBondContact O-N 3.47Å; T127-S138 WeakPolarHBondContact OG1-CB 3.45Å
128	F	95.7	Very high	92.4	Very high	74 Å²	74	79.6 Å²	79.6	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.9	173.9	64.7	-98.1	0	0	0	110.7	Y102 F135 V136 L137	Y102-F128 VanDerWaalsContact CB-CD1 3.49Å; F128-F135 HydrophobicContact CB-CE1 4.18Å; F128-F135 HydrophobicContact CB-CE2 3.69Å; F128-F135 HydrophobicContact CB-CZ 3.44Å; F128-F135 VanDerWaalsContact CB-CZ 3.44Å; F128-F135 HydrophobicContact CD1-CZ 4.24Å; F128-F135 HydrophobicContact CD2-CD2 4.35Å; F128-F135 AromaticContact CD2-CE2 3.35Å; F128-F135 HydrophobicContact CD2-CE2 3.35Å; F128-F135 AromaticContact CD2-CZ 3.84Å; F128-F135 HydrophobicContact CD2-CZ 3.84Å; F128-F135 HydrophobicContact CE2-CE2 4.11Å; F128-F135 AromaticContact CG-CE2 3.6Å; F128-F135 HydrophobicContact CG-CE2 3.6Å; F128-F135 AromaticContact CG-CZ 3.57Å; F128-F135 HydrophobicContact CG-CZ 3.57Å; F128-V136 WeakPolarHBondContact CA-O 3.25Å; F128-V136 VanDerWaalsContact CB-O 3.3Å; F128-V136 WeakPolarHBondContact CB-O 3.47Å; F128-L137 HydrophobicContact CB-CD1 4.44Å
129	E	94.6	Very high	92.5	Very high	110 Å²	110	69.6 Å²	69.6	51%	0.514	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-177.6	178.2	58.1	177.2	-146.3	0	0	111.7	T131 V136	E129-T131 PolarHBondContact OE1-OG1 3.31Å; E129-V136 HydrophobicContact CG-CB 3.79Å; E129-V136 HydrophobicContact CG-CG1 4.49Å; E129-V136 HydrophobicContact CG-CG2 4.25Å; E129-V136 PolarHBondContact N-O 2.81Å; E129-V136 PolarHBondContact O-N 2.81Å
130	M	90.6	Very high	92.5	Very high	78 Å²	78	69.3 Å²	69.3	38%	0.384	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	89.6	-179.3	-72	-71.3	-22.1	0	0	108.8	K97 T133 Q134 F135	K97-M130 HydrophobicContact CD-CE 4.3Å; K97-M130 HydrophobicContact CD-SD 3.76Å; K97-M130 HydrophobicContact CG-SD 3.85Å; M130-T133 WeakPolarHBondContact CE-O 3.39Å; M130-Q134 CarbonylContact C-O 3.52Å; M130-Q134 WeakPolarHBondContact CA-O 3.41Å; M130-Q134 WeakPolarHBondContact CE-O 3.41Å; M130-F135 HydrophobicContact SD-CB 4.3Å; M130-F135 HydrophobicContact SD-CD2 3.92Å
131	T	83.3	Confident	92.5	Very high	58 Å²	58	68.3 Å²	68.3	36%	0.356	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.8	-170.7	-55.5	0	0	0	0	108.5	E129 T133 Q134	E129-T131 PolarHBondContact OE1-OG1 3.31Å; T131-T133 PolarHBondContact O-N 3.01Å; T131-T133 VanDerWaalsContact O-N 3.09Å; T131-Q134 PolarHBondContact N-O 3.41Å; T131-Q134 PolarHBondContact O-N 3.46Å
132	E	72.6	Confident	92.5	Very high	181 Å²	181	72.6 Å²	72.6	85%	0.846	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	42.1	-178.5	-58.8	-172.4	176.7	0	0	114.2	Q134	E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 3.1Å
133	T	76.4	Confident	92.4	Very high	134 Å²	134	72.8 Å²	72.8	82%	0.822	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-11.2	-174.6	77.5	0	0	0	0	117.2	M130 T131	M130-T133 WeakPolarHBondContact CE-O 3.39Å; T131-T133 PolarHBondContact O-N 3.01Å; T131-T133 VanDerWaalsContact O-N 3.09Å
134	Q	82.8	Confident	92.3	Very high	91 Å²	91	66.6 Å²	66.6	43%	0.425	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	153.5	175.1	-52.6	-168.6	31	0	0	111.4	N94 M130 T131 E132	N94-Q134 VanDerWaalsContact CA-OE1 3.23Å; M130-Q134 CarbonylContact C-O 3.52Å; M130-Q134 WeakPolarHBondContact CA-O 3.41Å; M130-Q134 WeakPolarHBondContact CE-O 3.41Å; T131-Q134 PolarHBondContact N-O 3.41Å; T131-Q134 PolarHBondContact O-N 3.46Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 3.1Å
135	F	92.9	Very high	91.9	Very high	1 Å²	1	69.5 Å²	69.5	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.9	176.6	179	-97.7	0	0	0	109.2	M95 Q98 S99 Y102 F128 M130 L137	M95-F135 HydrophobicContact CB-CD1 4.03Å; M95-F135 PolarHBondContact N-O 2.84Å; M95-F135 WeakPolarHBondContact O-CB 3.38Å; M95-F135 PolarHBondContact O-N 2.87Å; Q98-F135 HydrophobicContact CB-CD1 4.36Å; Q98-F135 HydrophobicContact CB-CE1 3.94Å; Q98-F135 HydrophobicContact CB-CZ 4.29Å; S99-F135 VanDerWaalsContact CA-CE2 3.48Å; S99-F135 WeakPolarHBondContact OG-CD2 3.26Å; S99-F135 WeakPolarHBondContact OG-CE2 3.49Å; Y102-F135 AromaticContact CD2-CE1 3.73Å; Y102-F135 HydrophobicContact CD2-CE1 3.73Å; Y102-F135 AromaticContact CD2-CZ 3.7Å; Y102-F135 HydrophobicContact CD2-CZ 3.7Å; Y102-F135 HydrophobicContact CE2-CE1 4Å; Y102-F135 HydrophobicContact CE2-CZ 4.43Å; Y102-F135 HydrophobicContact CG-CZ 4.38Å; F128-F135 HydrophobicContact CB-CE1 4.18Å; F128-F135 HydrophobicContact CB-CE2 3.69Å; F128-F135 HydrophobicContact CB-CZ 3.44Å; F128-F135 VanDerWaalsContact CB-CZ 3.44Å; F128-F135 HydrophobicContact CD1-CZ 4.24Å; F128-F135 HydrophobicContact CD2-CD2 4.35Å; F128-F135 AromaticContact CD2-CE2 3.35Å; F128-F135 HydrophobicContact CD2-CE2 3.35Å; F128-F135 AromaticContact CD2-CZ 3.84Å; F128-F135 HydrophobicContact CD2-CZ 3.84Å; F128-F135 HydrophobicContact CE2-CE2 4.11Å; F128-F135 AromaticContact CG-CE2 3.6Å; F128-F135 HydrophobicContact CG-CE2 3.6Å; F128-F135 AromaticContact CG-CZ 3.57Å; F128-F135 HydrophobicContact CG-CZ 3.57Å; M130-F135 HydrophobicContact SD-CB 4.3Å; M130-F135 HydrophobicContact SD-CD2 3.92Å; F135-L137 HydrophobicContact CE1-CB 4.25Å
136	V	96.6	Very high	91.2	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.2	176.2	-174.1	0	0	0	0	108.7	N91 I92 M93 F128 E129	N91-V136 HydrophobicContact CB-CG1 4.32Å; I92-V136 CarbonylContact O-C 3.52Å; I92-V136 VanDerWaalsContact O-CA 3.31Å; I92-V136 WeakPolarHBondContact O-CA 3.44Å; M93-V136 HydrophobicContact CE-CG1 4.38Å; M93-V136 HydrophobicContact CE-CG2 4.26Å; M93-V136 HydrophobicContact SD-CG1 3.88Å; F128-V136 WeakPolarHBondContact CA-O 3.25Å; F128-V136 VanDerWaalsContact CB-O 3.3Å; F128-V136 WeakPolarHBondContact CB-O 3.47Å; E129-V136 HydrophobicContact CG-CB 3.79Å; E129-V136 HydrophobicContact CG-CG1 4.49Å; E129-V136 HydrophobicContact CG-CG2 4.25Å; E129-V136 PolarHBondContact N-O 2.81Å; E129-V136 PolarHBondContact O-N 2.81Å
137	L	97.6	Very high	90.4	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.2	174.6	176.2	71.6	0	0	0	110	F75 I92 M95 Y102 P108 P126 F128 F135	F75-L137 HydrophobicContact CE1-CD2 4.1Å; F75-L137 HydrophobicContact CZ-CD2 4.28Å; I92-L137 HydrophobicContact CB-CB 4.43Å; I92-L137 HydrophobicContact CD1-CD2 4.43Å; I92-L137 PolarHBondContact N-O 2.99Å; I92-L137 PolarHBondContact O-N 2.88Å; M95-L137 HydrophobicContact SD-CB 3.93Å; M95-L137 HydrophobicContact SD-CD2 3.76Å; Y102-L137 HydrophobicContact CD1-CD1 3.58Å; Y102-L137 HydrophobicContact CD2-CD1 4.14Å; Y102-L137 HydrophobicContact CE1-CD1 3.59Å; Y102-L137 HydrophobicContact CE1-CD2 3.76Å; Y102-L137 HydrophobicContact CE1-CG 4.35Å; Y102-L137 HydrophobicContact CE2-CD1 4.14Å; Y102-L137 HydrophobicContact CE2-CD2 4.11Å; Y102-L137 HydrophobicContact CG-CD1 3.88Å; Y102-L137 VanDerWaalsContact CZ-CD2 3.48Å; Y102-L137 WeakPolarHBondContact OH-CD2 3.26Å; P108-L137 HydrophobicContact CG-CD2 4.2Å; P126-L137 HydrophobicContact CB-CD1 3.97Å; F128-L137 HydrophobicContact CB-CD1 4.44Å; F135-L137 HydrophobicContact CE1-CB 4.25Å
138	S	98.1	Very high	89.8	Confident	17 Å²	17	70.3 Å²	70.3	12%	0.119	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.4	180	-63.9	0	0	0	0	111.9	I90 N91 P126 T127	I90-S138 VanDerWaalsContact O-CA 3.29Å; I90-S138 WeakPolarHBondContact O-CA 3.11Å; N91-S138 WeakPolarHBondContact OD1-CB 3.3Å; N91-S138 PolarHBondContact OD1-OG 2.86Å; P126-S138 CarbonylContact C-O 3.49Å; P126-S138 VanDerWaalsContact CA-O 3.25Å; P126-S138 WeakPolarHBondContact CA-O 3.43Å; P126-S138 WeakPolarHBondContact CB-O 3.41Å; T127-S138 PolarHBondContact N-O 2.78Å; T127-S138 PolarHBondContact O-N 3.47Å; T127-S138 WeakPolarHBondContact OG1-CB 3.45Å
139	F	98.1	Very high	89.7	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.3	174.6	61.6	-87.2	0	0	0	111.8	K89 I90 I92 P108 I122 P126 F153	K89-F139 WeakPolarHBondContact CA-O 3.45Å; I90-F139 HydrophobicContact CB-CD1 4.48Å; I90-F139 HydrophobicContact CB-CD2 4.49Å; I90-F139 HydrophobicContact CB-CE1 3.99Å; I90-F139 HydrophobicContact CB-CE2 3.99Å; I90-F139 HydrophobicContact CB-CZ 3.73Å; I90-F139 HydrophobicContact CG1-CE2 4.13Å; I90-F139 HydrophobicContact CG1-CZ 4.15Å; I90-F139 HydrophobicContact CG2-CE1 3.86Å; I90-F139 HydrophobicContact CG2-CZ 3.77Å; I90-F139 PolarHBondContact N-O 2.8Å; I90-F139 PolarHBondContact O-N 2.9Å; I92-F139 HydrophobicContact CD1-CE1 3.94Å; I92-F139 HydrophobicContact CG1-CE1 4.05Å; P108-F139 HydrophobicContact CG-CD1 3.86Å; P108-F139 HydrophobicContact CG-CE1 4.06Å; P108-F139 HydrophobicContact CG-CG 4.15Å; I122-F139 HydrophobicContact CD1-CD2 4Å; I122-F139 HydrophobicContact CD1-CE2 4.33Å; I122-F139 HydrophobicContact CG1-CD2 4Å; I122-F139 HydrophobicContact CG2-CB 4.28Å; P126-F139 HydrophobicContact CB-CB 4.17Å; P126-F139 HydrophobicContact CG-CB 4.23Å; F139-F153 AromaticContact CE2-CD1 3.7Å; F139-F153 HydrophobicContact CE2-CD1 3.7Å; F139-F153 HydrophobicContact CE2-CE1 4.02Å; F139-F153 HydrophobicContact CE2-CG 4.18Å; F139-F153 HydrophobicContact CZ-CB 4.44Å; F139-F153 HydrophobicContact CZ-CD1 4.36Å; F139-F153 HydrophobicContact CZ-CG 4.44Å
140	V	97.7	Very high	89.8	Confident	40 Å²	40	63.7 Å²	63.7	24%	0.242	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.9	-179.7	-62.1	0	0	0	0	111.7	L87 I88 K89 I122 D124	L87-V140 HydrophobicContact CD1-CB 4.25Å; L87-V140 HydrophobicContact CD2-CB 4.38Å; L87-V140 HydrophobicContact CD2-CG1 4.39Å; L87-V140 HydrophobicContact CG-CB 4.37Å; I88-V140 CarbonylContact O-C 3.54Å; I88-V140 VanDerWaalsContact O-CA 3.27Å; I88-V140 WeakPolarHBondContact O-CA 3.19Å; K89-V140 HydrophobicContact CB-CG1 3.91Å; K89-V140 HydrophobicContact CD-CG1 4.34Å; K89-V140 HydrophobicContact CG-CG1 3.99Å; I122-V140 WeakPolarHBondContact CG2-O 3.39Å; D124-V140 HydrophobicContact CB-CG2 3.7Å
141	H	96.7	Very high	90.1	Very high	18 Å²	18	60.1 Å²	60.1	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147	173.8	178	73.5	0	0	0	109.7	L87 I88 I122 F153	L87-H141 WeakPolarHBondContact CA-O 3.42Å; L87-H141 WeakPolarHBondContact CD1-O 3.34Å; I88-H141 HydrophobicContact CG2-CB 4.08Å; I88-H141 WeakPolarHBondContact CG2-O 3.39Å; I88-H141 PolarHBondContact N-O 3.17Å; I88-H141 PolarHBondContact O-N 2.8Å; I122-H141 HydrophobicContact CD1-CB 4.3Å; H141-F153 HydrophobicContact CB-CE1 3.82Å; H141-F153 HydrophobicContact CB-CZ 3.98Å; H141-F153 AromaticContact CD2-CZ 3.89Å; H141-F153 AromaticContact CG-CE1 3.91Å
142	R	95.7	Very high	90.9	Very high	121 Å²	121	58.7 Å²	58.7	46%	0.457	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122	174.4	-167.9	176.2	-62.5	-79	-1.4	109.2	G85 K86 L87 L144	G85-R142 VanDerWaalsContact O-CD 3.25Å; G85-R142 WeakPolarHBondContact O-CD 3.32Å; G85-R142 WeakPolarHBondContact O-CG 3.4Å; G85-R142 PolarHBondContact O-NH1 2.97Å; K86-R142 WeakPolarHBondContact O-CA 3.24Å; L87-R142 HydrophobicContact CD1-CB 4.18Å; R142-L144 PolarHBondContact O-N 2.68Å
143	F	95.1	Very high	92.1	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.5	133.5	-179.5	-74.2	-66.3	0	0	0	111.1	L8 Y52 V79 T83 G85 K86 I88	L8-F143 HydrophobicContact CD1-CE2 4.23Å; L8-F143 HydrophobicContact CD1-CZ 3.97Å; Y52-F143 HydrophobicContact CD2-CD2 4.42Å; Y52-F143 AromaticContact CD2-CE2 3.93Å; Y52-F143 HydrophobicContact CD2-CE2 3.93Å; Y52-F143 HydrophobicContact CE2-CD2 4.14Å; Y52-F143 AromaticContact CE2-CE2 3.91Å; Y52-F143 HydrophobicContact CE2-CE2 3.91Å; V79-F143 HydrophobicContact CG1-CE1 4.35Å; V79-F143 HydrophobicContact CG1-CZ 4.07Å; T83-F143 WeakPolarHBondContact O-CB 3.45Å; G85-F143 PolarHBondContact N-O 2.88Å; K86-F143 PolarHBondContact O-N 2.82Å; I88-F143 HydrophobicContact CB-CE2 3.7Å; I88-F143 HydrophobicContact CB-CZ 3.99Å; I88-F143 HydrophobicContact CD1-CE2 4.24Å; I88-F143 HydrophobicContact CD1-CZ 3.85Å; I88-F143 HydrophobicContact CG2-CD2 4.3Å; I88-F143 HydrophobicContact CG2-CE1 4.28Å; I88-F143 HydrophobicContact CG2-CE2 3.7Å; I88-F143 HydrophobicContact CG2-CZ 3.68Å
144	L	90.9	Very high	93.2	Very high	56 Å²	56	43.7 Å²	43.7	29%	0.293	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-83.9	156.1	177.7	-55.6	-178	0	0	0	110.9	T115 R116 R142	T115-L144 HydrophobicContact CG2-CB 4.45Å; R116-L144 HydrophobicContact CB-CD1 3.98Å; R142-L144 PolarHBondContact O-N 2.68Å
145	E	85.8	Confident	93.9	Very high	153 Å²	153	39.4 Å²	39.4	72%	0.715	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-67.2	142.4	170.5	-71.8	172.1	-163	0	0	111.5	P84 T115	P84-E145 HydrophobicContact CB-CB 4.33Å; P84-E145 HydrophobicContact CB-CG 3.56Å; P84-E145 HydrophobicContact CG-CG 4.28Å; T115-E145 WeakPolarHBondContact CG2-O 3.47Å; T115-E145 PolarHBondContact OG1-O 3.1Å
146	G	80.3	Confident	94.1	Very high	33 Å²	33	39.5 Å²	39.5	34%	0.34	20%	0.2	S	C	.	.			trans	157.6	123.7	179	0	0	0	0	0	112.3	G148 A149	G146-G148 PolarHBondContact O-N 2.86Å; G146-G148 VanDerWaalsContact O-N 3.16Å; G146-A149 VanDerWaalsContact O-CB 3.3Å; G146-A149 WeakPolarHBondContact O-CB 3.31Å; G146-A149 PolarHBondContact O-N 2.82Å; G146-A149 VanDerWaalsContact O-N 3.14Å
147	R	80.5	Confident	94.1	Very high	252 Å²	252	40.8 Å²	40.8	95%	0.951	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	119.6	176.8	179.9	179.3	-74.7	-114.5	1.7	109.7	A149	R147-A149 VanDerWaalsContact C-N 3.27Å; R147-A149 PolarHBondContact O-N 2.88Å
148	G	84.6	Confident	94.1	Very high	40 Å²	40	41.3 Å²	41.3	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	10.9	178.8	0	0	0	0	0	115.5	R80 G146 T150	R80-G148 PolarHBondContact NE-O 3.37Å; G146-G148 PolarHBondContact O-N 2.86Å; G146-G148 VanDerWaalsContact O-N 3.16Å; G148-T150 PolarHBondContact O-OG1 2.81Å
149	A	93.1	Very high	94.2	Very high	19 Å²	19	41.4 Å²	41.4	16%	0.157	21%	0.206	C	C	.	.			trans	-51.9	138.7	-175.1	0	0	0	0	0	113.5	T112 L113 G146 R147	T112-A149 HydrophobicContact CG2-CB 4.03Å; L113-A149 WeakPolarHBondContact O-CA 3.21Å; G146-A149 VanDerWaalsContact O-CB 3.3Å; G146-A149 WeakPolarHBondContact O-CB 3.31Å; G146-A149 PolarHBondContact O-N 2.82Å; G146-A149 VanDerWaalsContact O-N 3.14Å; R147-A149 VanDerWaalsContact C-N 3.27Å; R147-A149 PolarHBondContact O-N 2.88Å
150	T	96.8	Very high	94.2	Very high	26 Å²	26	41.6 Å²	41.6	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.5	-179.7	-57.4	0	0	0	0	109.2	R80 T112 L113 G148 F152	R80-T150 HydrophobicContact CB-CG2 4.23Å; R80-T150 VanDerWaalsContact CD-OG1 3.3Å; R80-T150 WeakPolarHBondContact CD-OG1 3.5Å; R80-T150 WeakPolarHBondContact CG-OG1 3.34Å; T112-T150 CarbonylContact C-O 3.45Å; T112-T150 WeakPolarHBondContact CA-O 3.16Å; L113-T150 PolarHBondContact N-O 3.42Å; L113-T150 PolarHBondContact O-N 2.82Å; G148-T150 PolarHBondContact O-OG1 2.81Å; T150-F152 HydrophobicContact CG2-CD2 4.35Å; T150-F152 HydrophobicContact CG2-CE2 3.74Å; T150-F152 HydrophobicContact CG2-CZ 4Å
151	T	97.8	Very high	94.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.6	179.6	-65.7	0	0	0	0	110	S78 V79 V110 R111 T112 F153	S78-T151 CarbonylContact C-O 3.59Å; S78-T151 WeakPolarHBondContact CA-O 3.21Å; V79-T151 PolarHBondContact N-O 3.13Å; V79-T151 PolarHBondContact O-N 3.43Å; V110-T151 HydrophobicContact CG2-CG2 3.38Å; R111-T151 CarbonylContact O-C 3.44Å; R111-T151 WeakPolarHBondContact O-CA 3.49Å; T112-T151 WeakPolarHBondContact CG2-OG1 3.48Å; T112-T151 PolarHBondContact OG1-OG1 2.85Å; T151-F153 HydrophobicContact CG2-CD1 4.48Å; T151-F153 HydrophobicContact CG2-CD2 4.41Å; T151-F153 HydrophobicContact CG2-CE1 3.84Å; T151-F153 HydrophobicContact CG2-CE2 3.76Å; T151-F153 HydrophobicContact CG2-CZ 3.46Å; T151-F153 VanDerWaalsContact CG2-CZ 3.46Å
152	F	98.5	Very high	94.3	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.4	176.5	-64.1	-102	0	0	0	110.1	F14 Y76 F77 V110 R111 L113 W119 T150	F14-F152 HydrophobicContact CE1-CD1 4.3Å; F14-F152 AromaticContact CE1-CE1 3.92Å; F14-F152 HydrophobicContact CE1-CE1 3.92Å; F14-F152 HydrophobicContact CZ-CD1 4.01Å; F14-F152 HydrophobicContact CZ-CE1 4.07Å; Y76-F152 HydrophobicContact CE2-CB 4.24Å; Y76-F152 AromaticContact CE2-CD1 3.92Å; Y76-F152 HydrophobicContact CE2-CD1 3.92Å; F77-F152 CarbonylContact O-C 3.59Å; F77-F152 VanDerWaalsContact O-CA 3.28Å; F77-F152 WeakPolarHBondContact O-CA 3.46Å; V110-F152 VanDerWaalsContact CA-O 3.26Å; V110-F152 WeakPolarHBondContact CA-O 3.4Å; R111-F152 PolarHBondContact N-O 2.94Å; R111-F152 VanDerWaalsContact N-O 3.11Å; R111-F152 PolarHBondContact O-N 3.49Å; L113-F152 HydrophobicContact CB-CE2 4.32Å; L113-F152 HydrophobicContact CD1-CD2 4.48Å; L113-F152 HydrophobicContact CD1-CE2 3.77Å; L113-F152 HydrophobicContact CD1-CZ 4.31Å; L113-F152 HydrophobicContact CG-CD2 4.45Å; L113-F152 HydrophobicContact CG-CE2 4.03Å; W119-F152 HydrophobicContact CH2-CB 3.61Å; W119-F152 HydrophobicContact CZ2-CB 4.35Å; W119-F152 HydrophobicContact CZ3-CB 4.2Å; T150-F152 HydrophobicContact CG2-CD2 4.35Å; T150-F152 HydrophobicContact CG2-CE2 3.74Å; T150-F152 HydrophobicContact CG2-CZ 4Å
153	F	98.6	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.6	175.6	-60.1	-75.2	0	0	0	110	Y76 F77 V79 I88 F109 V110 I122 F139 H141 T151	Y76-F153 WeakPolarHBondContact CA-O 3.41Å; F77-F153 HydrophobicContact CD2-CD2 4.34Å; F77-F153 HydrophobicContact CE1-CB 4.18Å; F77-F153 HydrophobicContact CE2-CB 4.24Å; F77-F153 AromaticContact CE2-CD2 3.69Å; F77-F153 HydrophobicContact CE2-CD2 3.69Å; F77-F153 HydrophobicContact CE2-CG 4.38Å; F77-F153 HydrophobicContact CZ-CB 3.95Å; F77-F153 HydrophobicContact CZ-CD2 4.07Å; F77-F153 HydrophobicContact CZ-CG 4.35Å; F77-F153 PolarHBondContact N-O 2.98Å; F77-F153 PolarHBondContact O-N 3.13Å; V79-F153 HydrophobicContact CB-CE2 4.29Å; V79-F153 HydrophobicContact CG2-CD2 3.97Å; V79-F153 HydrophobicContact CG2-CE2 3.76Å; I88-F153 HydrophobicContact CG2-CZ 4.49Å; F109-F153 WeakPolarHBondContact O-CA 3.45Å; V110-F153 HydrophobicContact CB-CD1 4.11Å; V110-F153 HydrophobicContact CB-CE1 4.22Å; V110-F153 HydrophobicContact CG2-CD1 3.84Å; V110-F153 HydrophobicContact CG2-CE1 3.6Å; V110-F153 HydrophobicContact CG2-CZ 4.41Å; I122-F153 HydrophobicContact CD1-CD1 4.11Å; I122-F153 HydrophobicContact CD1-CE1 3.97Å; F139-F153 AromaticContact CE2-CD1 3.7Å; F139-F153 HydrophobicContact CE2-CD1 3.7Å; F139-F153 HydrophobicContact CE2-CE1 4.02Å; F139-F153 HydrophobicContact CE2-CG 4.18Å; F139-F153 HydrophobicContact CZ-CB 4.44Å; F139-F153 HydrophobicContact CZ-CD1 4.36Å; F139-F153 HydrophobicContact CZ-CG 4.44Å; H141-F153 HydrophobicContact CB-CE1 3.82Å; H141-F153 HydrophobicContact CB-CZ 3.98Å; H141-F153 AromaticContact CD2-CZ 3.89Å; H141-F153 AromaticContact CG-CE1 3.91Å; T151-F153 HydrophobicContact CG2-CD1 4.48Å; T151-F153 HydrophobicContact CG2-CD2 4.41Å; T151-F153 HydrophobicContact CG2-CE1 3.84Å; T151-F153 HydrophobicContact CG2-CE2 3.76Å; T151-F153 HydrophobicContact CG2-CZ 3.46Å; T151-F153 VanDerWaalsContact CG2-CZ 3.46Å
154	A	98.4	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153	-177.4	0	0	0	0	0	112.8	F75 Y76 P108 F109 W119 C156 P158	F75-A154 WeakPolarHBondContact O-CA 3.29Å; Y76-A154 HydrophobicContact CD2-CB 3.9Å; Y76-A154 HydrophobicContact CG-CB 4.31Å; P108-A154 WeakPolarHBondContact CA-O 3.35Å; F109-A154 PolarHBondContact N-O 2.91Å; F109-A154 PolarHBondContact O-N 2.99Å; W119-A154 HydrophobicContact CH2-CB 3.96Å; W119-A154 HydrophobicContact CZ3-CB 4.06Å; A154-C156 WeakPolarHBondContact CB-O 3.25Å; A154-P158 HydrophobicContact CB-CG 4.45Å
155	F	98	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-59	-49	179	173.5	-105.9	0	0	0	112.8	S73 W74 F75 M95 L101 Y102 M106 Y519	S73-F155 VanDerWaalsContact O-CD2 3.3Å; S73-F155 WeakPolarHBondContact O-CD2 3.04Å; W74-F155 HydrophobicContact CE3-CB 3.96Å; W74-F155 HydrophobicContact CE3-CD1 4.1Å; W74-F155 HydrophobicContact CE3-CG 4.43Å; W74-F155 HydrophobicContact CZ3-CB 4.15Å; W74-F155 HydrophobicContact CZ3-CD1 4.26Å; F75-F155 HydrophobicContact CD1-CB 3.92Å; F75-F155 HydrophobicContact CD1-CD2 4.28Å; F75-F155 HydrophobicContact CE1-CB 3.89Å; F75-F155 AromaticContact CE1-CD2 3.87Å; F75-F155 HydrophobicContact CE1-CD2 3.87Å; F75-F155 HydrophobicContact CE1-CG 4.39Å; F75-F155 HydrophobicContact CG-CB 4.34Å; F75-F155 HydrophobicContact CZ-CB 4.28Å; F75-F155 PolarHBondContact O-N 3.25Å; M95-F155 HydrophobicContact CE-CD2 3.89Å; M95-F155 HydrophobicContact CE-CE2 3.99Å; L101-F155 HydrophobicContact CD2-CE2 4.09Å; L101-F155 HydrophobicContact CD2-CZ 3.61Å; Y102-F155 HydrophobicContact CE2-CE2 4.45Å; Y102-F155 WeakPolarHBondContact OH-CD2 3.27Å; Y102-F155 WeakPolarHBondContact OH-CE2 3.43Å; M106-F155 WeakPolarHBondContact CE-O 3.29Å; F155-Y519 HydrophobicContact CD1-CD1 4.47Å; F155-Y519 HydrophobicContact CD1-CE1 4.35Å; F155-Y519 AromaticContact CE1-CD1 3.87Å; F155-Y519 HydrophobicContact CE1-CD1 3.87Å; F155-Y519 HydrophobicContact CE1-CD2 4.4Å; F155-Y519 AromaticContact CE1-CE1 3.73Å; F155-Y519 HydrophobicContact CE1-CE1 3.73Å; F155-Y519 HydrophobicContact CE1-CE2 4.3Å; F155-Y519 HydrophobicContact CE1-CG 4.19Å; F155-Y519 AromaticContact CE1-CZ 3.95Å
156	C	97	Very high	95.6	Very high	4 Å²	4	36 Å²	36	3%	0.027	19%	0.194	C	C	.	.	S	Bend	trans	-137.5	-168.6	169.7	56.7	0	0	0	0	109.3	M106 F109 A154 P158 T256 Y519	M106-C156 HydrophobicContact CE-CB 4.01Å; F109-C156 VanDerWaalsContact CD2-CA 3.49Å; F109-C156 HydrophobicContact CE2-CB 4.43Å; A154-C156 WeakPolarHBondContact CB-O 3.25Å; C156-P158 VanDerWaalsContact O-CD 3.31Å; C156-P158 WeakPolarHBondContact O-CD 3.42Å; C156-T256 PolarHBondContact SG-OG1 3.13Å; C156-Y519 HydrophobicContact CB-CD1 3.81Å
157	Y	97.8	Very high	96.5	Very high	31 Å²	31	36.2 Å²	36.2	12%	0.122	19%	0.187	C	C	.	.			trans	-55.3	120.1	168.1	-65.5	-78.2	0	0	0	109.7	F109 W119 T256 T551 V552	F109-Y157 AromaticContact CD1-CD1 3.92Å; F109-Y157 HydrophobicContact CD1-CD1 3.92Å; F109-Y157 AromaticContact CD1-CE1 3.83Å; F109-Y157 HydrophobicContact CD1-CE1 3.83Å; F109-Y157 HydrophobicContact CD1-CG 4.33Å; F109-Y157 AromaticContact CE1-CD1 3.72Å; F109-Y157 HydrophobicContact CE1-CD1 3.72Å; F109-Y157 AromaticContact CE1-CD2 3.86Å; F109-Y157 HydrophobicContact CE1-CD2 3.86Å; F109-Y157 AromaticContact CE1-CE1 3.33Å; F109-Y157 HydrophobicContact CE1-CE1 3.33Å; F109-Y157 AromaticContact CE1-CE2 3.47Å; F109-Y157 HydrophobicContact CE1-CE2 3.47Å; F109-Y157 VanDerWaalsContact CE1-CE2 3.47Å; F109-Y157 AromaticContact CE1-CG 3.98Å; F109-Y157 HydrophobicContact CE1-CG 3.98Å; F109-Y157 AromaticContact CE1-CZ 3.19Å; F109-Y157 HydrophobicContact CE2-CD2 4.2Å; F109-Y157 HydrophobicContact CE2-CE2 4.31Å; F109-Y157 HydrophobicContact CZ-CD1 4.27Å; F109-Y157 AromaticContact CZ-CD2 3.56Å; F109-Y157 HydrophobicContact CZ-CD2 3.56Å; F109-Y157 HydrophobicContact CZ-CE1 4.06Å; F109-Y157 AromaticContact CZ-CE2 3.28Å; F109-Y157 HydrophobicContact CZ-CE2 3.28Å; F109-Y157 HydrophobicContact CZ-CG 4.05Å; F109-Y157 AromaticContact CZ-CZ 3.57Å; W119-Y157 HydrophobicContact CB-CD1 3.88Å; W119-Y157 HydrophobicContact CB-CE1 4.01Å; W119-Y157 HydrophobicContact CG-CD1 4.49Å; Y157-T256 WeakPolarHBondContact O-CB 3.3Å; Y157-T256 PolarHBondContact O-OG1 2.68Å; Y157-T551 WeakPolarHBondContact OH-CA 3.48Å; Y157-V552 HydrophobicContact CD1-CG2 3.9Å; Y157-V552 HydrophobicContact CD2-CG2 4.01Å; Y157-V552 HydrophobicContact CE1-CG2 4.06Å; Y157-V552 HydrophobicContact CE2-CG2 4.18Å; Y157-V552 HydrophobicContact CG-CG2 3.86Å
158	P	97.6	Very high	97.3	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.078	14%	0.143	C	C	.	.			trans	-76.1	151.9	174.5	30.7	-31.6	0	0	0	111	W74 Y76 W119 A154 C156	W74-P158 HydrophobicContact CH2-CB 4.22Å; W74-P158 HydrophobicContact CZ2-CB 4.31Å; Y76-P158 HydrophobicContact CD1-CB 4.13Å; Y76-P158 HydrophobicContact CE1-CB 3.92Å; Y76-P158 HydrophobicContact CE1-CG 4.23Å; W119-P158 HydrophobicContact CD2-CG 4.46Å; W119-P158 HydrophobicContact CH2-CG 4.1Å; W119-P158 HydrophobicContact CZ2-CG 3.35Å; A154-P158 HydrophobicContact CB-CG 4.45Å; C156-P158 VanDerWaalsContact O-CD 3.31Å; C156-P158 WeakPolarHBondContact O-CD 3.42Å
159	F	98.3	Very high	97.9	Very high	19 Å²	19	25.5 Å²	25.5	8%	0.083	14%	0.139	C	C	.	.			trans	-147.2	103.6	166.4	-170.8	-97.5	0	0	0	105.8	D163 C164 L167 R250 S259 F260 M291	F159-D163 HydrophobicContact CD2-CB 3.93Å; F159-D163 HydrophobicContact CE2-CB 3.92Å; F159-D163 HydrophobicContact CG-CB 4.34Å; F159-D163 HydrophobicContact CZ-CB 4.34Å; F159-C164 HydrophobicContact CD1-CB 4.45Å; F159-C164 HydrophobicContact CE1-CB 3.64Å; F159-C164 HydrophobicContact CZ-CB 4.2Å; F159-L167 HydrophobicContact CZ-CD2 4.09Å; F159-R250 VanDerWaalsContact O-CZ 3.31Å; F159-R250 PolarHBondContact O-NH1 2.57Å; F159-R250 PolarHBondContact O-NH2 2.96Å; F159-S259 VanDerWaalsContact CD1-CB 3.49Å; F159-S259 WeakPolarHBondContact CD1-OG 3.26Å; F159-F260 HydrophobicContact CB-CE1 4.36Å; F159-F260 HydrophobicContact CB-CZ 3.92Å; F159-F260 HydrophobicContact CD2-CE1 4.08Å; F159-F260 HydrophobicContact CD2-CZ 4.45Å; F159-M291 HydrophobicContact CD1-CE 4.48Å
160	S	98.3	Very high	98.1	Very high	10 Å²	10	30.2 Å²	30.2	7%	0.07	16%	0.158	C	C	.	.			trans	-80.1	179.2	-171.8	66.3	0	0	0	0	112.3	D15 D163 C164	D15-S160 VanDerWaalsContact CG-CB 3.46Å; D15-S160 WeakPolarHBondContact OD1-CB 3.32Å; S160-D163 VanDerWaalsContact CB-OD2 3.25Å; S160-D163 WeakPolarHBondContact CB-OD2 3.47Å; S160-D163 PolarHBondContact N-OD2 3.25Å; S160-D163 PolarHBondContact OG-N 2.72Å; S160-D163 PolarHBondContact OG-OD2 2.93Å; S160-C164 PolarHBondContact O-N 3.31Å
161	Y	98.8	Very high	98.1	Very high	25 Å²	25	29.4 Å²	29.4	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-71.6	-40.1	170.9	177.3	-108.9	0	0	0	110.6	D15 C164 Q165 L203 R204 M291 P294 V298	D15-Y161 PolarHBondContact OD1-N 3.11Å; D15-Y161 WeakPolarHBondContact OD2-CA 3.34Å; D15-Y161 WeakPolarHBondContact OD2-CB 3.21Å; D15-Y161 PolarHBondContact OD2-N 3.16Å; Y161-C164 WeakPolarHBondContact O-CA 3.41Å; Y161-C164 VanDerWaalsContact O-CB 3.26Å; Y161-C164 WeakPolarHBondContact O-CB 3.36Å; Y161-C164 PolarHBondContact O-N 3.15Å; Y161-C164 VanDerWaalsContact O-N 3.13Å; Y161-Q165 HydrophobicContact CD1-CG 4.15Å; Y161-Q165 HydrophobicContact CD2-CG 4.39Å; Y161-Q165 HydrophobicContact CE1-CG 3.7Å; Y161-Q165 HydrophobicContact CE2-CG 3.98Å; Y161-Q165 HydrophobicContact CG-CG 4.48Å; Y161-Q165 WeakPolarHBondContact O-CG 3.48Å; Y161-Q165 PolarHBondContact O-N 3.5Å; Y161-L203 HydrophobicContact CD1-CD1 4.49Å; Y161-L203 HydrophobicContact CD1-CD2 4.5Å; Y161-L203 HydrophobicContact CE1-CB 4.27Å; Y161-L203 HydrophobicContact CE1-CD2 4.02Å; Y161-L203 HydrophobicContact CE2-CB 4.46Å; Y161-R204 WeakPolarHBondContact CE2-O 3.39Å; Y161-R204 WeakPolarHBondContact OH-CA 3.38Å; Y161-R204 WeakPolarHBondContact OH-CB 3.07Å; Y161-R204 PolarHBondContact OH-N 2.89Å; Y161-R204 PolarHBondContact OH-O 3.12Å; Y161-R204 VanDerWaalsContact OH-O 3.08Å; Y161-M291 HydrophobicContact CD2-SD 3.8Å; Y161-P294 HydrophobicContact CD2-CB 3.48Å; Y161-P294 VanDerWaalsContact CD2-CB 3.48Å; Y161-P294 HydrophobicContact CE2-CB 3.55Å; Y161-P294 HydrophobicContact CG-CB 4.28Å; Y161-V298 HydrophobicContact CD1-CG2 4.03Å; Y161-V298 HydrophobicContact CG-CG2 3.98Å
162	S	98.5	Very high	98	Very high	58 Å²	58	31.5 Å²	31.5	41%	0.406	16%	0.164	S	C	.	.	H	α-helix	trans	-58.3	-48.3	171.7	-61.7	0	0	0	0	112.6	D15 C164 Q165 D166	D15-S162 PolarHBondContact OD2-N 3.08Å; D15-S162 PolarHBondContact OD2-OG 3.14Å; S162-C164 PolarHBondContact O-N 2.75Å; S162-C164 VanDerWaalsContact O-N 3.13Å; S162-Q165 PolarHBondContact O-N 2.61Å; S162-Q165 VanDerWaalsContact O-N 3.13Å; S162-D166 WeakPolarHBondContact O-CB 3.29Å; S162-D166 PolarHBondContact O-N 2.94Å
163	D	98.5	Very high	97.8	Very high	77 Å²	77	37.6 Å²	37.6	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-56.3	-33.2	176.3	-65	-60.5	0	0	0	111.6	F159 S160 L167	F159-D163 HydrophobicContact CD2-CB 3.93Å; F159-D163 HydrophobicContact CE2-CB 3.92Å; F159-D163 HydrophobicContact CG-CB 4.34Å; F159-D163 HydrophobicContact CZ-CB 4.34Å; S160-D163 VanDerWaalsContact CB-OD2 3.25Å; S160-D163 WeakPolarHBondContact CB-OD2 3.47Å; S160-D163 PolarHBondContact N-OD2 3.25Å; S160-D163 PolarHBondContact OG-N 2.72Å; S160-D163 PolarHBondContact OG-OD2 2.93Å; D163-L167 WeakPolarHBondContact O-CB 3.27Å; D163-L167 PolarHBondContact O-N 2.75Å
164	C	98.8	Very high	97.6	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-73.2	-49	177.1	-165.3	0	0	0	0	111.6	F159 S160 Y161 S162 L167 L168 M291	F159-C164 HydrophobicContact CD1-CB 4.45Å; F159-C164 HydrophobicContact CE1-CB 3.64Å; F159-C164 HydrophobicContact CZ-CB 4.2Å; S160-C164 PolarHBondContact O-N 3.31Å; Y161-C164 WeakPolarHBondContact O-CA 3.41Å; Y161-C164 VanDerWaalsContact O-CB 3.26Å; Y161-C164 WeakPolarHBondContact O-CB 3.36Å; Y161-C164 PolarHBondContact O-N 3.15Å; Y161-C164 VanDerWaalsContact O-N 3.13Å; S162-C164 PolarHBondContact O-N 2.75Å; S162-C164 VanDerWaalsContact O-N 3.13Å; C164-L167 PolarHBondContact O-N 3.37Å; C164-L168 WeakPolarHBondContact O-CG 3.45Å; C164-L168 PolarHBondContact O-N 2.86Å; C164-M291 HydrophobicContact CB-CE 3.83Å
165	Q	98.8	Very high	97.2	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.2	-69.3	-64.3	-59	0	0	111.5	Y161 S162 L167 L168 N169 D206	Y161-Q165 HydrophobicContact CD1-CG 4.15Å; Y161-Q165 HydrophobicContact CD2-CG 4.39Å; Y161-Q165 HydrophobicContact CE1-CG 3.7Å; Y161-Q165 HydrophobicContact CE2-CG 3.98Å; Y161-Q165 HydrophobicContact CG-CG 4.48Å; Y161-Q165 WeakPolarHBondContact O-CG 3.48Å; Y161-Q165 PolarHBondContact O-N 3.5Å; S162-Q165 PolarHBondContact O-N 2.61Å; S162-Q165 VanDerWaalsContact O-N 3.13Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 3.38Å; Q165-L168 PolarHBondContact O-N 3.44Å; Q165-N169 WeakPolarHBondContact O-CB 3.23Å; Q165-N169 PolarHBondContact O-N 3.46Å; Q165-N169 PolarHBondContact O-ND2 2.9Å; Q165-N169 PolarHBondContact O-OD1 3.27Å; Q165-D206 PolarHBondContact NE2-OD2 3.09Å
166	D	98.6	Very high	96.2	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-37.5	176.8	-72.6	-23.7	0	0	0	112.3	S162 Q170	S162-D166 WeakPolarHBondContact O-CB 3.29Å; S162-D166 PolarHBondContact O-N 2.94Å; D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.43Å; D166-Q170 PolarHBondContact O-N 2.95Å; D166-Q170 VanDerWaalsContact O-N 3.08Å; D166-Q170 PolarHBondContact O-NE2 2.71Å
167	L	98.3	Very high	94.7	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-43.2	173.1	175.7	62.5	0	0	0	111.7	F159 D163 C164 Q165 Q170 L171	F159-L167 HydrophobicContact CZ-CD2 4.09Å; D163-L167 WeakPolarHBondContact O-CB 3.27Å; D163-L167 PolarHBondContact O-N 2.75Å; C164-L167 PolarHBondContact O-N 3.37Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 3.38Å; L167-Q170 PolarHBondContact O-N 3.46Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.15Å; L167-L171 VanDerWaalsContact O-N 3.16Å
168	L	98.3	Very high	92.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-43.3	177.1	-64	-174.5	0	0	0	111.6	C164 Q165 Q170 L171 D172 D206 L208 P290	C164-L168 WeakPolarHBondContact O-CG 3.45Å; C164-L168 PolarHBondContact O-N 2.86Å; Q165-L168 PolarHBondContact O-N 3.44Å; L168-Q170 PolarHBondContact O-N 3.08Å; L168-L171 HydrophobicContact CD2-CD1 4.38Å; L168-L171 CarbonylContact O-C 3.53Å; L168-L171 WeakPolarHBondContact O-CA 3.27Å; L168-L171 WeakPolarHBondContact O-CB 3.48Å; L168-L171 PolarHBondContact O-N 2.74Å; L168-D172 PolarHBondContact O-N 3.16Å; L168-D206 HydrophobicContact CD1-CB 3.77Å; L168-L208 HydrophobicContact CD2-CD1 3.88Å; L168-L208 HydrophobicContact CD2-CD2 4.02Å; L168-L208 HydrophobicContact CD2-CG 4.42Å; L168-P290 HydrophobicContact CD1-CG 4.28Å; L168-P290 HydrophobicContact CD2-CG 4.17Å
169	N	97.9	Very high	91.3	Very high	63 Å²	63	62.8 Å²	62.8	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-35.6	176.7	-62.3	-17.9	0	0	0	111.8	Q165 D172 Q173 R193	Q165-N169 WeakPolarHBondContact O-CB 3.23Å; Q165-N169 PolarHBondContact O-N 3.46Å; Q165-N169 PolarHBondContact O-ND2 2.9Å; Q165-N169 PolarHBondContact O-OD1 3.27Å; N169-D172 PolarHBondContact O-N 2.99Å; N169-Q173 VanDerWaalsContact O-CG 3.29Å; N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 3.14Å; N169-R193 PolarHBondContact OD1-NH1 2.49Å
170	Q	97.6	Very high	90	Very high	118 Å²	118	62.4 Å²	62.4	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-68.8	-31.2	172.3	-76.1	165.2	69.5	0	0	113.1	D166 L167 L168 R174	D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.43Å; D166-Q170 PolarHBondContact O-N 2.95Å; D166-Q170 VanDerWaalsContact O-N 3.08Å; D166-Q170 PolarHBondContact O-NE2 2.71Å; L167-Q170 PolarHBondContact O-N 3.46Å; L168-Q170 PolarHBondContact O-N 3.08Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.34Å; Q170-R174 VanDerWaalsContact O-N 3.13Å
171	L	96.6	Very high	88.9	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-73.2	-39.8	173.1	-68.8	176	0	0	0	111.6	L167 L168 Q173 R174 F175 Y191 L266 L270	L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.15Å; L167-L171 VanDerWaalsContact O-N 3.16Å; L168-L171 HydrophobicContact CD2-CD1 4.38Å; L168-L171 CarbonylContact O-C 3.53Å; L168-L171 WeakPolarHBondContact O-CA 3.27Å; L168-L171 WeakPolarHBondContact O-CB 3.48Å; L168-L171 PolarHBondContact O-N 2.74Å; L171-Q173 VanDerWaalsContact C-N 3.31Å; L171-Q173 PolarHBondContact O-N 3.11Å; L171-R174 CarbonylContact O-C 3.59Å; L171-R174 PolarHBondContact O-N 3.04Å; L171-R174 VanDerWaalsContact O-N 3.08Å; L171-F175 HydrophobicContact CD2-CE2 4.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 PolarHBondContact O-N 3.4Å; L171-Y191 HydrophobicContact CB-CE2 4.03Å; L171-Y191 WeakPolarHBondContact CB-OH 3.37Å; L171-Y191 HydrophobicContact CD1-CE2 4.33Å; L171-L266 HydrophobicContact CD1-CD2 3.84Å; L171-L266 HydrophobicContact CD1-CG 4.42Å; L171-L270 HydrophobicContact CD1-CD1 4.16Å; L171-L270 HydrophobicContact CD2-CD1 3.76Å
172	D	95.3	Very high	87.8	Confident	47 Å²	47	69.6 Å²	69.6	25%	0.251	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-37.8	175.3	-53.6	-32.7	0	0	0	111.1	L168 N169 F175 P176 Y191 R193	L168-D172 PolarHBondContact O-N 3.16Å; N169-D172 PolarHBondContact O-N 2.99Å; D172-F175 CarbonylContact O-C 3.14Å; D172-F175 VanDerWaalsContact O-C 3.25Å; D172-P176 WeakPolarHBondContact O-CA 3.49Å; D172-Y191 VanDerWaalsContact OD1-CE1 3.26Å; D172-Y191 WeakPolarHBondContact OD1-CE1 3.43Å; D172-Y191 PolarHBondContact OD1-OH 3.28Å; D172-R193 WeakPolarHBondContact OD1-CB 3.22Å; D172-R193 VanDerWaalsContact OD1-CD 3.27Å; D172-R193 WeakPolarHBondContact OD1-CD 3.36Å; D172-R193 WeakPolarHBondContact OD2-CD 3.48Å; D172-R193 IonicContact OD2-CZ 3.81Å; D172-R193 IonicContact OD2-NE 2.97Å; D172-R193 IonicContact OD2-NH1 3.54Å; D172-R193 PolarHBondContact OD2-NH1 3.31Å
173	Q	94.6	Very high	87	Confident	156 Å²	156	72 Å²	72	73%	0.729	37%	0.37	S	S	*	.	H	α-helix	trans	-66.6	-32.8	171.2	-72.5	170.2	15.4	0	0	113.5	N169 L171	N169-Q173 VanDerWaalsContact O-CG 3.29Å; N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 3.14Å; L171-Q173 VanDerWaalsContact C-N 3.31Å; L171-Q173 PolarHBondContact O-N 3.11Å
174	R	93.5	Very high	86.4	Confident	124 Å²	124	69.7 Å²	69.7	47%	0.468	36%	0.36	S	S	.	.	H	α-helix	trans	-79.5	-28.5	178.5	178.9	178.2	170.2	-144.4	-11.1	112.7	Q170 L171 P176 L270	Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.34Å; Q170-R174 VanDerWaalsContact O-N 3.13Å; L171-R174 CarbonylContact O-C 3.59Å; L171-R174 PolarHBondContact O-N 3.04Å; L171-R174 VanDerWaalsContact O-N 3.08Å; R174-P176 VanDerWaalsContact C-CD 3.48Å; R174-L270 PolarHBondContact NH2-O 2.89Å
175	F	90.6	Very high	86.1	Confident	40 Å²	40	74 Å²	74	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	-127.1	68.3	-179.2	-60.2	-74.5	0	0	0	109.7	L171 D172 I189 Y191 L270	L171-F175 HydrophobicContact CD2-CE2 4.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 PolarHBondContact O-N 3.4Å; D172-F175 CarbonylContact O-C 3.14Å; D172-F175 VanDerWaalsContact O-C 3.25Å; F175-I189 HydrophobicContact CE1-CB 4.1Å; F175-I189 HydrophobicContact CE1-CD1 4.08Å; F175-I189 HydrophobicContact CE1-CG2 4.08Å; F175-I189 HydrophobicContact CZ-CD1 4.16Å; F175-I189 HydrophobicContact CZ-CG2 4.39Å; F175-Y191 HydrophobicContact CB-CD1 3.59Å; F175-Y191 HydrophobicContact CB-CE1 4.34Å; F175-Y191 HydrophobicContact CB-CG 3.85Å; F175-Y191 HydrophobicContact CD2-CD1 4.4Å; F175-Y191 HydrophobicContact CD2-CD2 4.23Å; F175-Y191 HydrophobicContact CD2-CG 4.07Å; F175-Y191 HydrophobicContact CG-CD1 4.29Å; F175-Y191 HydrophobicContact CG-CG 4.08Å; F175-L270 HydrophobicContact CE2-CD1 4.14Å; F175-L270 HydrophobicContact CE2-CD2 3.89Å; F175-L270 HydrophobicContact CE2-CG 4.46Å; F175-L270 HydrophobicContact CZ-CD2 3.92Å
176	P	76.9	Confident	85.9	Confident	74 Å²	74	77.7 Å²	77.7	48%	0.481	41%	0.407	S	S	.	.			trans	-61.9	165.7	-179.7	28.2	-36.8	0	0	0	111.7	D172 R174 N178	D172-P176 WeakPolarHBondContact O-CA 3.49Å; R174-P176 VanDerWaalsContact C-CD 3.48Å; P176-N178 PolarHBondContact O-N 2.78Å
177	E	64.1	Low	85.7	Confident	145 Å²	145	75.8 Å²	75.8	68%	0.678	40%	0.397	S	S	*	.	S	Bend	trans	-68.5	25.5	-173.4	-57.2	-164.2	124.6	0	0	116.1	H179	E177-H179 PolarHBondContact O-N 2.92Å
178	N	56.7	Low	85.5	Confident	141 Å²	141	76.3 Å²	76.3	75%	0.754	40%	0.402	S	S	*	.			trans	-66.5	71	158.8	-67.8	-20.2	0	0	0	109.2	P176 P180	P176-N178 PolarHBondContact O-N 2.78Å; N178-P180 WeakPolarHBondContact O-CD 3.42Å
179	H	67.8	Low	85.4	Confident	52 Å²	52	77.2 Å²	77.2	24%	0.241	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-50.7	123.8	178	-74.9	-15.3	0	0	0	110.3	E177 T181 R220 F237	E177-H179 PolarHBondContact O-N 2.92Å; H179-T181 PolarHBondContact O-N 3.45Å; H179-T181 VanDerWaalsContact O-N 3.13Å; H179-R220 PolarHBondContact CD2-NH2 3.13Å; H179-F237 HydrophobicContact CB-CE2 4.45Å
180	P	70.9	Confident	85.3	Confident	12 Å²	12	74.2 Å²	74.2	8%	0.078	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-57.7	121	176.4	-26.9	34.9	0	0	0	111.7	N178 S184 T188 Y190 C213 L216	N178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-S184 WeakPolarHBondContact CA-OG 3.3Å; P180-T188 HydrophobicContact CB-CG2 4.32Å; P180-T188 HydrophobicContact CG-CG2 4Å; P180-Y190 HydrophobicContact CG-CD2 4.06Å; P180-C213 WeakPolarHBondContact CB-SG 3.4Å; P180-L216 WeakPolarHBondContact O-CD2 3.4Å
181	T	75.1	Confident	85.3	Confident	71 Å²	71	69.6 Å²	69.6	44%	0.436	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-80.8	169.4	174.8	54.4	0	0	0	0	111.2	H179 S183 S184	H179-T181 PolarHBondContact O-N 3.45Å; H179-T181 VanDerWaalsContact O-N 3.13Å; T181-S183 PolarHBondContact O-N 3.13Å; T181-S183 VanDerWaalsContact O-N 3.11Å; T181-S183 PolarHBondContact OG1-N 2.98Å; T181-S183 PolarHBondContact OG1-OG 2.82Å; T181-S184 PolarHBondContact N-OG 2.89Å; T181-S184 VanDerWaalsContact O-CB 3.23Å; T181-S184 WeakPolarHBondContact O-CB 3.11Å; T181-S184 PolarHBondContact O-N 3.05Å; T181-S184 PolarHBondContact O-OG 3.38Å; T181-S184 PolarHBondContact OG1-N 3.4Å; T181-S184 PolarHBondContact OG1-OG 3.03Å; T181-S184 VanDerWaalsContact OG1-OG 3.11Å
182	H	76	Confident	85.3	Confident	114 Å²	114	69.5 Å²	69.5	53%	0.528	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.4	169	-71	-84.1	0	0	0	114	L216 E218	H182-L216 PolarHBondContact CE1-O 3.11Å; H182-E218 WeakPolarHBondContact NE2-CG 3.47Å
183	S	81.9	Confident	85.4	Confident	110 Å²	110	68.7 Å²	68.7	77%	0.769	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.6	171.1	54	0	0	0	0	114.4	T181	T181-S183 PolarHBondContact O-N 3.13Å; T181-S183 VanDerWaalsContact O-N 3.11Å; T181-S183 PolarHBondContact OG1-N 2.98Å; T181-S183 PolarHBondContact OG1-OG 2.82Å
184	S	86.6	Confident	85.5	Confident	28 Å²	28	61.6 Å²	61.6	20%	0.196	33%	0.328	C	S	.	.	S	Bend	trans	-76.6	143.5	177.5	-64.2	0	0	0	0	111.4	P180 T181 L186	P180-S184 WeakPolarHBondContact CA-OG 3.3Å; T181-S184 PolarHBondContact N-OG 2.89Å; T181-S184 VanDerWaalsContact O-CB 3.23Å; T181-S184 WeakPolarHBondContact O-CB 3.11Å; T181-S184 PolarHBondContact O-N 3.05Å; T181-S184 PolarHBondContact O-OG 3.38Å; T181-S184 PolarHBondContact OG1-N 3.4Å; T181-S184 PolarHBondContact OG1-OG 3.03Å; T181-S184 VanDerWaalsContact OG1-OG 3.11Å; S184-L186 PolarHBondContact O-N 3.43Å
185	P	92.4	Very high	85.8	Confident	93 Å²	93	55.9 Å²	55.9	60%	0.604	31%	0.307	S	S	*	.			trans	-53.3	137.1	176.5	-27.6	34.2	0	0	0	112.5	D187 T188	P185-D187 PolarHBondContact O-N 3.34Å; P185-D187 VanDerWaalsContact O-N 3.07Å; P185-T188 WeakPolarHBondContact O-CB 3.42Å; P185-T188 PolarHBondContact O-N 3.47Å; P185-T188 PolarHBondContact O-OG1 3.32Å
186	L	93.8	Very high	86.2	Confident	105 Å²	105	54 Å²	54	55%	0.55	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	-168.8	-62.9	178.1	0	0	0	114	S184 S212 C213 H214	S184-L186 PolarHBondContact O-N 3.43Å; L186-S212 WeakPolarHBondContact O-CB 3.42Å; L186-C213 PolarHBondContact O-N 2.74Å; L186-H214 VanDerWaalsContact C-ND1 3.31Å; L186-H214 VanDerWaalsContact CB-CE1 3.46Å; L186-H214 WeakPolarHBondContact CB-CE1 3.32Å; L186-H214 WeakPolarHBondContact CB-ND1 3.41Å; L186-H214 PolarHBondContact O-CE1 3.39Å; L186-H214 PolarHBondContact O-N 3.03Å; L186-H214 PolarHBondContact O-ND1 2.77Å
187	D	94.4	Very high	87.2	Confident	47 Å²	47	50.7 Å²	50.7	25%	0.251	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.4	176.8	-76.2	-57	0	0	0	115.2	P185 I189 H214 R282	P185-D187 PolarHBondContact O-N 3.34Å; P185-D187 VanDerWaalsContact O-N 3.07Å; D187-I189 PolarHBondContact O-N 3.07Å; D187-H214 IonicContact OD1-CE1 3.65Å; D187-H214 PolarHBondContact OD1-CE1 3.21Å; D187-H214 IonicContact OD1-ND1 3.8Å; D187-H214 IonicContact OD2-CE1 2.71Å; D187-R282 IonicContact OD1-CZ 3.67Å; D187-R282 IonicContact OD1-NE 3.89Å; D187-R282 PolarHBondContact OD1-NE 3.49Å; D187-R282 IonicContact OD1-NH2 2.72Å; D187-R282 PolarHBondContact OD1-NH2 3.02Å; D187-R282 IonicContact OD2-CZ 3.74Å; D187-R282 IonicContact OD2-NE 2.88Å; D187-R282 IonicContact OD2-NH2 3.52Å; D187-R282 PolarHBondContact OD2-NH2 3.07Å
188	T	94.8	Very high	88.9	Confident	51 Å²	51	49.5 Å²	49.5	31%	0.313	27%	0.268	S	S	.	.	S	Bend	trans	-51	131.6	172.3	-66.2	0	0	0	0	109.7	P180 P185 Y190 S212 C213	P180-T188 HydrophobicContact CB-CG2 4.32Å; P180-T188 HydrophobicContact CG-CG2 4Å; P185-T188 WeakPolarHBondContact O-CB 3.42Å; P185-T188 PolarHBondContact O-N 3.47Å; P185-T188 PolarHBondContact O-OG1 3.32Å; T188-Y190 PolarHBondContact O-N 3.46Å; T188-Y190 VanDerWaalsContact O-N 3.15Å; T188-S212 WeakPolarHBondContact O-CA 3.49Å; T188-C213 PolarHBondContact O-N 3.19Å; T188-C213 PolarHBondContact O-SG 3.19Å
189	I	95.9	Very high	90.9	Very high	22 Å²	22	43.5 Å²	43.5	11%	0.113	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	110.6	179.8	-56	-175.9	0	0	0	107.9	F175 D187 Y191 I210 L270	F175-I189 HydrophobicContact CE1-CB 4.1Å; F175-I189 HydrophobicContact CE1-CD1 4.08Å; F175-I189 HydrophobicContact CE1-CG2 4.08Å; F175-I189 HydrophobicContact CZ-CD1 4.16Å; F175-I189 HydrophobicContact CZ-CG2 4.39Å; D187-I189 PolarHBondContact O-N 3.07Å; I189-Y191 PolarHBondContact O-N 3.31Å; I189-I210 HydrophobicContact CG2-CG2 4.39Å; I189-L270 HydrophobicContact CG2-CD2 3.79Å
190	Y	96.6	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.4	161.3	-174.2	-96	0	0	0	107.8	P180 T188 H192 T209 I210 T211 P236 F237 F239	P180-Y190 HydrophobicContact CG-CD2 4.06Å; T188-Y190 PolarHBondContact O-N 3.46Å; T188-Y190 VanDerWaalsContact O-N 3.15Å; Y190-H192 HydrophobicContact CE1-CB 3.74Å; Y190-T209 HydrophobicContact CD1-CG2 4.45Å; Y190-T209 HydrophobicContact CE1-CG2 4.12Å; Y190-I210 VanDerWaalsContact O-CA 3.3Å; Y190-I210 WeakPolarHBondContact O-CA 3.26Å; Y190-T211 HydrophobicContact CD1-CG2 4.09Å; Y190-T211 HydrophobicContact CG-CG2 4.27Å; Y190-T211 PolarHBondContact N-O 3.38Å; Y190-T211 PolarHBondContact O-N 3.43Å; Y190-P236 HydrophobicContact CE1-CB 4.13Å; Y190-P236 WeakPolarHBondContact OH-CA 3.42Å; Y190-F237 AromaticContact CE2-CD2 3.89Å; Y190-F237 HydrophobicContact CE2-CD2 3.89Å; Y190-F237 PolarHBondContact OH-N 3.33Å; Y190-F237 VanDerWaalsContact OH-N 3.17Å; Y190-F239 AromaticContact CD1-CE2 3.91Å; Y190-F239 HydrophobicContact CD1-CE2 3.91Å; Y190-F239 AromaticContact CD1-CZ 3.67Å; Y190-F239 HydrophobicContact CD1-CZ 3.67Å; Y190-F239 AromaticContact CD2-CZ 3.92Å; Y190-F239 HydrophobicContact CD2-CZ 3.92Å; Y190-F239 AromaticContact CE1-CE2 3.99Å; Y190-F239 HydrophobicContact CE1-CE2 3.99Å; Y190-F239 HydrophobicContact CE1-CZ 4.03Å; Y190-F239 HydrophobicContact CE2-CZ 4.31Å; Y190-F239 HydrophobicContact CG-CE1 4.48Å; Y190-F239 HydrophobicContact CG-CE2 4.31Å; Y190-F239 AromaticContact CG-CZ 3.6Å; Y190-F239 HydrophobicContact CG-CZ 3.6Å
191	Y	96.9	Very high	93.6	Very high	20 Å²	20	46 Å²	46	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.9	172.3	172.2	-88.4	0	0	0	107.9	L171 D172 F175 I189 R193 L208 I210 L270	L171-Y191 HydrophobicContact CB-CE2 4.03Å; L171-Y191 WeakPolarHBondContact CB-OH 3.37Å; L171-Y191 HydrophobicContact CD1-CE2 4.33Å; D172-Y191 VanDerWaalsContact OD1-CE1 3.26Å; D172-Y191 WeakPolarHBondContact OD1-CE1 3.43Å; D172-Y191 PolarHBondContact OD1-OH 3.28Å; F175-Y191 HydrophobicContact CB-CD1 3.59Å; F175-Y191 HydrophobicContact CB-CE1 4.34Å; F175-Y191 HydrophobicContact CB-CG 3.85Å; F175-Y191 HydrophobicContact CD2-CD1 4.4Å; F175-Y191 HydrophobicContact CD2-CD2 4.23Å; F175-Y191 HydrophobicContact CD2-CG 4.07Å; F175-Y191 HydrophobicContact CG-CD1 4.29Å; F175-Y191 HydrophobicContact CG-CG 4.08Å; I189-Y191 PolarHBondContact O-N 3.31Å; Y191-R193 HydrophobicContact CE1-CB 4.17Å; Y191-L208 HydrophobicContact CE2-CD2 4.35Å; Y191-I210 HydrophobicContact CD2-CD1 3.98Å; Y191-I210 HydrophobicContact CD2-CG1 3.88Å; Y191-I210 HydrophobicContact CE2-CD1 4.33Å; Y191-L270 HydrophobicContact CD2-CD2 4.44Å
192	H	97.1	Very high	94.7	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	121.5	173.9	177.5	77.4	0	0	0	109.3	Y190 E194 T209 P234 P236	Y190-H192 HydrophobicContact CE1-CB 3.74Å; H192-E194 IonicContact NE2-OE2 2.67Å; H192-T209 PolarHBondContact N-O 2.93Å; H192-T209 PolarHBondContact O-N 3.35Å; H192-P234 PolarHBondContact CE1-O 2.93Å; H192-P234 PolarHBondContact NE2-O 3.28Å; H192-P236 HydrophobicContact CB-CB 4.37Å; H192-P236 WeakPolarHBondContact NE2-CD 3.45Å
193	R	97.3	Very high	95.8	Very high	29 Å²	29	41.2 Å²	41.2	11%	0.109	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.5	172.4	176.3	-172.6	177.7	-176.5	2.8	108.7	N169 D172 Y191 D206 L208	N169-R193 PolarHBondContact OD1-NH1 2.49Å; D172-R193 WeakPolarHBondContact OD1-CB 3.22Å; D172-R193 VanDerWaalsContact OD1-CD 3.27Å; D172-R193 WeakPolarHBondContact OD1-CD 3.36Å; D172-R193 WeakPolarHBondContact OD2-CD 3.48Å; D172-R193 IonicContact OD2-CZ 3.81Å; D172-R193 IonicContact OD2-NE 2.97Å; D172-R193 IonicContact OD2-NH1 3.54Å; D172-R193 PolarHBondContact OD2-NH1 3.31Å; Y191-R193 HydrophobicContact CE1-CB 4.17Å; R193-D206 HydrophobicContact CG-CB 4.5Å; R193-D206 IonicContact CZ-OD1 3.97Å; R193-D206 IonicContact CZ-OD2 2.95Å; R193-D206 IonicContact NE-OD1 2.65Å; R193-D206 PolarHBondContact NE-OD1 3.15Å; R193-D206 IonicContact NE-OD2 3.69Å; R193-D206 VanDerWaalsContact NH2-CG 3.31Å; R193-D206 IonicContact NH2-OD1 3.37Å; R193-D206 PolarHBondContact NH2-OD1 2.92Å; R193-D206 IonicContact NH2-OD2 3.55Å; R193-D206 PolarHBondContact NH2-OD2 3.07Å; R193-L208 HydrophobicContact CB-CD2 3.81Å; R193-L208 HydrophobicContact CG-CD2 3.81Å
194	E	96.9	Very high	96.6	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.5	176.4	56.2	179.4	160.5	0	0	112.6	H192 L196 D206 L207 F228 R235 P236	H192-E194 IonicContact NE2-OE2 2.67Å; E194-L196 PolarHBondContact O-N 2.87Å; E194-D206 CarbonylContact O-C 3.57Å; E194-D206 WeakPolarHBondContact O-CA 3.45Å; E194-L207 HydrophobicContact CG-CB 4.15Å; E194-L207 HydrophobicContact CG-CD2 4.47Å; E194-L207 HydrophobicContact CG-CG 4.48Å; E194-L207 PolarHBondContact N-O 3.48Å; E194-L207 PolarHBondContact O-N 3.01Å; E194-F228 VanDerWaalsContact CD-CE1 3.48Å; E194-F228 HydrophobicContact CG-CD1 4.3Å; E194-F228 HydrophobicContact CG-CE1 4.18Å; E194-F228 WeakPolarHBondContact OE2-CD1 3.15Å; E194-F228 WeakPolarHBondContact OE2-CE1 3.32Å; E194-R235 IonicContact OE1-CZ 3.71Å; E194-R235 IonicContact OE1-NE 3.61Å; E194-R235 IonicContact OE1-NH2 2.92Å; E194-R235 PolarHBondContact OE1-NH2 2.86Å; E194-R235 WeakPolarHBondContact OE2-CD 3.39Å; E194-R235 IonicContact OE2-CZ 3.48Å; E194-R235 IonicContact OE2-NE 2.75Å; E194-R235 PolarHBondContact OE2-NE 3.28Å; E194-R235 IonicContact OE2-NH2 3.78Å; E194-R235 PolarHBondContact OE2-NH2 3.27Å; E194-P236 WeakPolarHBondContact OE1-CD 3.35Å
195	L	98.6	Very high	97.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.8	171.9	179.7	58.7	0	0	0	109.3	C197 Y198 R204 F228 P229	L195-C197 WeakPolarHBondContact CD1-O 3.42Å; L195-Y198 HydrophobicContact CD2-CD1 4.4Å; L195-Y198 HydrophobicContact CD2-CD2 4.32Å; L195-Y198 HydrophobicContact CD2-CE1 3.83Å; L195-Y198 HydrophobicContact CD2-CE2 3.72Å; L195-Y198 VanDerWaalsContact CD2-CZ 3.45Å; L195-R204 HydrophobicContact CD1-CB 3.72Å; L195-R204 HydrophobicContact CD1-CG 3.84Å; L195-F228 WeakPolarHBondContact O-CA 3.3Å; L195-P229 HydrophobicContact CD2-CG 3.83Å; L195-P229 HydrophobicContact CG-CG 4.19Å
196	L	98.8	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-52.2	175.4	176.8	59.9	0	0	0	110.7	E194 V205 L207 L227 F228 I289 V332	E194-L196 PolarHBondContact O-N 2.87Å; L196-V205 WeakPolarHBondContact CB-O 3.5Å; L196-V205 HydrophobicContact CD2-CG1 4.38Å; L196-V205 PolarHBondContact N-O 3.44Å; L196-L207 HydrophobicContact CB-CB 4.07Å; L196-L227 HydrophobicContact CD1-CD2 4.12Å; L196-L227 HydrophobicContact CG-CD2 4.35Å; L196-L227 WeakPolarHBondContact O-CD2 3.12Å; L196-F228 HydrophobicContact CD1-CE1 3.76Å; L196-F228 HydrophobicContact CD1-CE2 4.29Å; L196-F228 HydrophobicContact CD1-CZ 3.6Å; L196-F228 PolarHBondContact O-N 3.37Å; L196-I289 HydrophobicContact CD2-CD1 3.55Å; L196-I289 HydrophobicContact CD2-CG1 4.31Å; L196-V332 HydrophobicContact CD1-CG2 3.7Å
197	C	98.8	Very high	97.7	Very high	6 Å²	6	29 Å²	29	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	165.9	177.3	65.8	0	0	0	0	110.1	L195 V205 L227 P324	L195-C197 WeakPolarHBondContact CD1-O 3.42Å; C197-V205 WeakPolarHBondContact O-CB 3.48Å; C197-V205 PolarHBondContact O-N 3.25Å; C197-L227 HydrophobicContact CB-CD2 3.96Å; C197-P324 HydrophobicContact CB-CB 4.33Å
198	Y	98.8	Very high	97.9	Very high	120 Å²	120	26.7 Å²	26.7	47%	0.471	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	154.1	159.5	-67.3	-72	0	0	0	110.3	L195 G202 L203 R204 P229 P324	L195-Y198 HydrophobicContact CD2-CD1 4.4Å; L195-Y198 HydrophobicContact CD2-CD2 4.32Å; L195-Y198 HydrophobicContact CD2-CE1 3.83Å; L195-Y198 HydrophobicContact CD2-CE2 3.72Å; L195-Y198 VanDerWaalsContact CD2-CZ 3.45Å; Y198-G202 VanDerWaalsContact CD1-O 3.32Å; Y198-G202 WeakPolarHBondContact CD1-O 3.36Å; Y198-L203 CarbonylContact C-O 3.52Å; Y198-L203 WeakPolarHBondContact CA-O 3.37Å; Y198-R204 HydrophobicContact CE1-CG 4.47Å; Y198-P229 HydrophobicContact CD2-CG 4.05Å; Y198-P229 HydrophobicContact CE2-CG 3.96Å; Y198-P324 WeakPolarHBondContact O-CB 3.44Å; Y198-P324 WeakPolarHBondContact O-CG 3.49Å
199	S	98.6	Very high	98.1	Very high	14 Å²	14	24.3 Å²	24.3	10%	0.098	12%	0.123	C	C	.	.			trans	-84.2	-175.6	168.6	66.7	0	0	0	0	111.6	D201 G202 L203 D295	S199-D201 VanDerWaalsContact C-N 3.32Å; S199-D201 PolarHBondContact O-N 2.87Å; S199-G202 PolarHBondContact O-N 3.21Å; S199-G202 VanDerWaalsContact O-N 3.15Å; S199-L203 PolarHBondContact N-O 3.15Å; S199-L203 WeakPolarHBondContact OG-CA 3.32Å; S199-L203 WeakPolarHBondContact OG-CB 3.34Å; S199-L203 PolarHBondContact OG-N 3.1Å; S199-L203 PolarHBondContact OG-O 3.44Å; S199-D295 WeakPolarHBondContact CB-OD1 3.3Å; S199-D295 WeakPolarHBondContact CB-OD2 3.09Å; S199-D295 PolarHBondContact OG-OD1 3.45Å; S199-D295 PolarHBondContact OG-OD2 2.93Å
200	L	98.3	Very high	98.2	Very high	56 Å²	56	23.2 Å²	23.2	29%	0.293	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-31	-179.2	-61.7	171.2	0	0	0	111.8	G202 D295 S306 R307 V321 P324	L200-G202 VanDerWaalsContact C-N 3.29Å; L200-D295 WeakPolarHBondContact CA-OD2 3.34Å; L200-D295 WeakPolarHBondContact CB-OD2 3.35Å; L200-D295 PolarHBondContact N-OD2 3.36Å; L200-S306 WeakPolarHBondContact CB-OG 3.46Å; L200-R307 HydrophobicContact CD1-CB 4.4Å; L200-R307 HydrophobicContact CD1-CG 3.99Å; L200-V321 VanDerWaalsContact CD2-O 3.29Å; L200-V321 WeakPolarHBondContact CD2-O 3.17Å; L200-P324 HydrophobicContact CD2-CG 4.47Å
201	D	97.9	Very high	98.3	Very high	60 Å²	60	23.2 Å²	23.2	32%	0.321	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.6	173.2	-58	-22.2	0	0	0	113.1	S199 L203 D295 R299 S306	S199-D201 VanDerWaalsContact C-N 3.32Å; S199-D201 PolarHBondContact O-N 2.87Å; D201-L203 HydrophobicContact CB-CG 4.45Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-D295 HydrophobicContact CB-CB 4.36Å; D201-D295 WeakPolarHBondContact CB-OD1 3.42Å; D201-D295 PolarHBondContact N-OD2 2.88Å; D201-D295 VanDerWaalsContact N-OD2 3.16Å; D201-D295 VanDerWaalsContact OD2-CB 3.29Å; D201-D295 WeakPolarHBondContact OD2-CB 3.34Å; D201-R299 IonicContact OD1-CZ 3.96Å; D201-R299 IonicContact OD1-NE 3.93Å; D201-R299 IonicContact OD1-NH2 2.8Å; D201-R299 PolarHBondContact OD1-NH2 3.25Å; D201-R299 IonicContact OD2-CZ 3.37Å; D201-R299 VanDerWaalsContact OD2-CZ 3.31Å; D201-R299 IonicContact OD2-NE 3.76Å; D201-R299 PolarHBondContact OD2-NE 2.76Å; D201-R299 IonicContact OD2-NH2 3.96Å; D201-R299 PolarHBondContact OD2-NH2 3.1Å; D201-R299 VanDerWaalsContact OD2-NH2 3.08Å; D201-S306 VanDerWaalsContact OD1-CB 3.27Å; D201-S306 WeakPolarHBondContact OD1-CB 3.36Å; D201-S306 PolarHBondContact OD1-OG 2.95Å
202	G	98.3	Very high	98.3	Very high	44 Å²	44	22.3 Å²	22.3	45%	0.454	11%	0.114	S	C	.	.	S	Bend	trans	77.3	13.6	178.7	0	0	0	0	0	115.3	Y198 S199 L200	Y198-G202 VanDerWaalsContact CD1-O 3.32Å; Y198-G202 WeakPolarHBondContact CD1-O 3.36Å; S199-G202 PolarHBondContact O-N 3.21Å; S199-G202 VanDerWaalsContact O-N 3.15Å; L200-G202 VanDerWaalsContact C-N 3.29Å
203	L	98.8	Very high	98.2	Very high	41 Å²	41	22.2 Å²	22.2	22%	0.215	12%	0.115	C	C	.	.			trans	-78.3	151.7	176.5	-55.5	175	0	0	0	110.7	Y161 Y198 S199 D201 V205 P294 V298	Y161-L203 HydrophobicContact CD1-CD1 4.49Å; Y161-L203 HydrophobicContact CD1-CD2 4.5Å; Y161-L203 HydrophobicContact CE1-CB 4.27Å; Y161-L203 HydrophobicContact CE1-CD2 4.02Å; Y161-L203 HydrophobicContact CE2-CB 4.46Å; Y198-L203 CarbonylContact C-O 3.52Å; Y198-L203 WeakPolarHBondContact CA-O 3.37Å; S199-L203 PolarHBondContact N-O 3.15Å; S199-L203 WeakPolarHBondContact OG-CA 3.32Å; S199-L203 WeakPolarHBondContact OG-CB 3.34Å; S199-L203 PolarHBondContact OG-N 3.1Å; S199-L203 PolarHBondContact OG-O 3.44Å; D201-L203 HydrophobicContact CB-CG 4.45Å; D201-L203 PolarHBondContact O-N 3.34Å; L203-V205 PolarHBondContact O-N 2.86Å; L203-P294 HydrophobicContact CB-CB 4Å; L203-P294 HydrophobicContact CB-CG 3.96Å; L203-P294 HydrophobicContact CD1-CB 3.87Å; L203-P294 HydrophobicContact CD1-CG 4.41Å; L203-V298 HydrophobicContact CD1-CB 4.26Å; L203-V298 HydrophobicContact CD1-CG2 3.64Å
204	R	98.6	Very high	98.1	Very high	73 Å²	73	23.1 Å²	23.1	28%	0.275	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.4	176.2	-63.2	-180	58.9	105.8	-4	111	Y161 L195 Y198 D206	Y161-R204 WeakPolarHBondContact CE2-O 3.39Å; Y161-R204 WeakPolarHBondContact OH-CA 3.38Å; Y161-R204 WeakPolarHBondContact OH-CB 3.07Å; Y161-R204 PolarHBondContact OH-N 2.89Å; Y161-R204 PolarHBondContact OH-O 3.12Å; Y161-R204 VanDerWaalsContact OH-O 3.08Å; L195-R204 HydrophobicContact CD1-CB 3.72Å; L195-R204 HydrophobicContact CD1-CG 3.84Å; Y198-R204 HydrophobicContact CE1-CG 4.47Å; R204-D206 IonicContact CZ-OD1 3.78Å; R204-D206 VanDerWaalsContact CZ-OD1 3.32Å; R204-D206 IonicContact NE-OD1 2.69Å; R204-D206 PolarHBondContact NE-OD1 2.93Å; R204-D206 IonicContact NE-OD2 3.17Å; R204-D206 IonicContact NH2-OD1 3.01Å; R204-D206 PolarHBondContact NH2-OD1 2.92Å
205	V	98.9	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	102.1	158	-177	0	0	0	0	106.9	L196 C197 L203 I289 P294 A325	L196-V205 WeakPolarHBondContact CB-O 3.5Å; L196-V205 HydrophobicContact CD2-CG1 4.38Å; L196-V205 PolarHBondContact N-O 3.44Å; C197-V205 WeakPolarHBondContact O-CB 3.48Å; C197-V205 PolarHBondContact O-N 3.25Å; L203-V205 PolarHBondContact O-N 2.86Å; V205-I289 HydrophobicContact CG1-CG2 3.95Å; V205-P294 HydrophobicContact CG2-CG 4.14Å; V205-A325 HydrophobicContact CG1-CB 4.25Å; V205-A325 HydrophobicContact CG2-CB 4.08Å
206	D	98.8	Very high	97.9	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.9	179.8	-66.4	-78.6	0	0	0	111.9	Q165 L168 R193 E194 R204 P290	Q165-D206 PolarHBondContact NE2-OD2 3.09Å; L168-D206 HydrophobicContact CD1-CB 3.77Å; R193-D206 HydrophobicContact CG-CB 4.5Å; R193-D206 IonicContact CZ-OD1 3.97Å; R193-D206 IonicContact CZ-OD2 2.95Å; R193-D206 IonicContact NE-OD1 2.65Å; R193-D206 PolarHBondContact NE-OD1 3.15Å; R193-D206 IonicContact NE-OD2 3.69Å; R193-D206 VanDerWaalsContact NH2-CG 3.31Å; R193-D206 IonicContact NH2-OD1 3.37Å; R193-D206 PolarHBondContact NH2-OD1 2.92Å; R193-D206 IonicContact NH2-OD2 3.55Å; R193-D206 PolarHBondContact NH2-OD2 3.07Å; E194-D206 CarbonylContact O-C 3.57Å; E194-D206 WeakPolarHBondContact O-CA 3.45Å; R204-D206 IonicContact CZ-OD1 3.78Å; R204-D206 VanDerWaalsContact CZ-OD1 3.32Å; R204-D206 IonicContact NE-OD1 2.69Å; R204-D206 PolarHBondContact NE-OD1 2.93Å; R204-D206 IonicContact NE-OD2 3.17Å; R204-D206 IonicContact NH2-OD1 3.01Å; R204-D206 PolarHBondContact NH2-OD1 2.92Å; D206-P290 WeakPolarHBondContact O-CD 3.42Å
207	L	98.9	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	167.1	171.9	66.5	0	0	0	108.9	E194 L196 F228 K287 I289 V332	E194-L207 HydrophobicContact CG-CB 4.15Å; E194-L207 HydrophobicContact CG-CD2 4.47Å; E194-L207 HydrophobicContact CG-CG 4.48Å; E194-L207 PolarHBondContact N-O 3.48Å; E194-L207 PolarHBondContact O-N 3.01Å; L196-L207 HydrophobicContact CB-CB 4.07Å; L207-F228 HydrophobicContact CD2-CE1 4.03Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å; L207-K287 HydrophobicContact CD1-CB 4.27Å; L207-K287 HydrophobicContact CD1-CD 4.36Å; L207-K287 HydrophobicContact CD2-CD 4.35Å; L207-I289 HydrophobicContact CD1-CG1 3.9Å; L207-V332 HydrophobicContact CD2-CG1 4.31Å; L207-V332 HydrophobicContact CD2-CG2 4.37Å
208	L	98.8	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.1	170.6	-48.8	-179.2	0	0	0	109.9	L168 Y191 R193 I210 L266 K287 L288 P290	L168-L208 HydrophobicContact CD2-CD1 3.88Å; L168-L208 HydrophobicContact CD2-CD2 4.02Å; L168-L208 HydrophobicContact CD2-CG 4.42Å; Y191-L208 HydrophobicContact CE2-CD2 4.35Å; R193-L208 HydrophobicContact CB-CD2 3.81Å; R193-L208 HydrophobicContact CG-CD2 3.81Å; L208-I210 HydrophobicContact CB-CD1 4.32Å; L208-I210 HydrophobicContact CB-CG1 4.44Å; L208-I210 HydrophobicContact CD1-CD1 4.47Å; L208-L266 HydrophobicContact CD1-CD1 4.19Å; L208-L266 HydrophobicContact CD1-CD2 4.08Å; L208-K287 WeakPolarHBondContact O-CA 3.36Å; L208-L288 HydrophobicContact CB-CB 4.24Å; L208-L288 PolarHBondContact N-O 2.97Å; L208-L288 PolarHBondContact O-N 2.96Å; L208-P290 HydrophobicContact CD1-CG 4.33Å; L208-P290 HydrophobicContact CG-CG 4.48Å
209	T	98.6	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.9	167.8	-59.1	0	0	0	0	108.6	Y190 H192 P236 V285 F286 K287	Y190-T209 HydrophobicContact CD1-CG2 4.45Å; Y190-T209 HydrophobicContact CE1-CG2 4.12Å; H192-T209 PolarHBondContact N-O 2.93Å; H192-T209 PolarHBondContact O-N 3.35Å; T209-P236 HydrophobicContact CG2-CB 4.03Å; T209-P236 HydrophobicContact CG2-CG 4.33Å; T209-V285 HydrophobicContact CG2-CG1 3.78Å; T209-F286 WeakPolarHBondContact CA-O 3.41Å; T209-K287 HydrophobicContact CG2-CD 4.42Å; T209-K287 WeakPolarHBondContact OG1-CE 3.38Å; T209-K287 PolarHBondContact OG1-NZ 2.98Å
210	I	98.6	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.1	-177	-60.3	170.8	0	0	0	110.3	I189 Y190 Y191 L208 L266 I269 L270 F286 L288	I189-I210 HydrophobicContact CG2-CG2 4.39Å; Y190-I210 VanDerWaalsContact O-CA 3.3Å; Y190-I210 WeakPolarHBondContact O-CA 3.26Å; Y191-I210 HydrophobicContact CD2-CD1 3.98Å; Y191-I210 HydrophobicContact CD2-CG1 3.88Å; Y191-I210 HydrophobicContact CE2-CD1 4.33Å; L208-I210 HydrophobicContact CB-CD1 4.32Å; L208-I210 HydrophobicContact CB-CG1 4.44Å; L208-I210 HydrophobicContact CD1-CD1 4.47Å; I210-L266 HydrophobicContact CD1-CD1 3.37Å; I210-I269 HydrophobicContact CB-CD1 4.19Å; I210-I269 HydrophobicContact CD1-CD1 4.18Å; I210-I269 HydrophobicContact CG2-CD1 3.94Å; I210-L270 HydrophobicContact CD1-CD1 4.36Å; I210-L270 HydrophobicContact CD1-CD2 3.97Å; I210-L270 HydrophobicContact CD1-CG 4.25Å; I210-L270 HydrophobicContact CG2-CD2 3.92Å; I210-F286 HydrophobicContact CB-CB 4.18Å; I210-F286 PolarHBondContact N-O 2.88Å; I210-F286 WeakPolarHBondContact O-CB 3.36Å; I210-F286 WeakPolarHBondContact O-CD2 3.3Å; I210-F286 PolarHBondContact O-N 2.89Å; I210-L288 HydrophobicContact CD1-CD1 4Å
211	T	98.2	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-167.8	176.5	-166.2	0	0	0	0	111	Y190 F239 K242 R281 F284 V285	Y190-T211 HydrophobicContact CD1-CG2 4.09Å; Y190-T211 HydrophobicContact CG-CG2 4.27Å; Y190-T211 PolarHBondContact N-O 3.38Å; Y190-T211 PolarHBondContact O-N 3.43Å; T211-F239 HydrophobicContact CG2-CD1 3.73Å; T211-F239 HydrophobicContact CG2-CD2 3.76Å; T211-F239 HydrophobicContact CG2-CE1 3.46Å; T211-F239 VanDerWaalsContact CG2-CE1 3.46Å; T211-F239 HydrophobicContact CG2-CE2 3.51Å; T211-F239 HydrophobicContact CG2-CG 3.89Å; T211-F239 HydrophobicContact CG2-CZ 3.36Å; T211-K242 WeakPolarHBondContact OG1-CD 3.31Å; T211-K242 PolarHBondContact OG1-NZ 3.49Å; T211-R281 PolarHBondContact OG1-O 3.46Å; T211-F284 PolarHBondContact OG1-O 3.3Å; T211-V285 HydrophobicContact CG2-CG2 4.27Å
212	S	96.4	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	164.4	166.3	71.2	0	0	0	0	111.2	L186 T188 H214 F239 K242 R281	L186-S212 WeakPolarHBondContact O-CB 3.42Å; T188-S212 WeakPolarHBondContact O-CA 3.49Å; S212-H214 PolarHBondContact O-N 3.13Å; S212-H214 VanDerWaalsContact O-N 3.14Å; S212-H214 PolarHBondContact OG-ND1 3.08Å; S212-F239 WeakPolarHBondContact O-CE1 3.39Å; S212-K242 PolarHBondContact O-NZ 2.82Å; S212-K242 PolarHBondContact OG-NZ 3.23Å; S212-R281 PolarHBondContact N-O 2.81Å; S212-R281 VanDerWaalsContact N-O 3.07Å; S212-R281 PolarHBondContact OG-O 3.3Å
213	C	95.7	Very high	96.6	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.047	18%	0.179	C	C	.	.	S	Bend	trans	-71.4	-4.7	-179.1	-56.1	0	0	0	0	114.2	P180 L186 T188 G215 L216	P180-C213 WeakPolarHBondContact CB-SG 3.4Å; L186-C213 PolarHBondContact O-N 2.74Å; T188-C213 PolarHBondContact O-N 3.19Å; T188-C213 PolarHBondContact O-SG 3.19Å; C213-G215 PolarHBondContact O-N 3.39Å; C213-L216 VanDerWaalsContact O-CB 3.27Å; C213-L216 WeakPolarHBondContact O-CB 3.45Å; C213-L216 PolarHBondContact O-N 3.31Å
214	H	95.8	Very high	96.6	Very high	47 Å²	47	37 Å²	37	22%	0.218	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	129.2	166.5	-70.6	65	0	0	0	110.4	L186 D187 S212 L216 K242 R282	L186-H214 VanDerWaalsContact C-ND1 3.31Å; L186-H214 VanDerWaalsContact CB-CE1 3.46Å; L186-H214 WeakPolarHBondContact CB-CE1 3.32Å; L186-H214 WeakPolarHBondContact CB-ND1 3.41Å; L186-H214 PolarHBondContact O-CE1 3.39Å; L186-H214 PolarHBondContact O-N 3.03Å; L186-H214 PolarHBondContact O-ND1 2.77Å; D187-H214 IonicContact OD1-CE1 3.65Å; D187-H214 PolarHBondContact OD1-CE1 3.21Å; D187-H214 IonicContact OD1-ND1 3.8Å; D187-H214 IonicContact OD2-CE1 2.71Å; S212-H214 PolarHBondContact O-N 3.13Å; S212-H214 VanDerWaalsContact O-N 3.14Å; S212-H214 PolarHBondContact OG-ND1 3.08Å; H214-L216 PolarHBondContact O-N 3.1Å; H214-K242 WeakPolarHBondContact O-CE 3.05Å; H214-K242 PolarHBondContact O-NZ 2.95Å; H214-R282 PolarHBondContact CE1-NE 3.2Å; H214-R282 WeakPolarHBondContact NE2-CD 3.42Å; H214-R282 PolarHBondContact NE2-NE 3.15Å
215	G	94.6	Very high	96.4	Very high	36 Å²	36	38.8 Å²	38.8	37%	0.371	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	10.8	176.9	0	0	0	0	0	115.5	C213 R217 F239 A240	C213-G215 PolarHBondContact O-N 3.39Å; G215-R217 PolarHBondContact O-N 3.05Å; G215-F239 CarbonylContact O-C 3.52Å; G215-F239 VanDerWaalsContact O-CA 3.3Å; G215-F239 WeakPolarHBondContact O-CA 3.31Å; G215-A240 PolarHBondContact O-N 3.11Å
216	L	95	Very high	96.3	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	135	173.3	177.3	66.6	0	0	0	110.9	P180 H182 C213 H214 F237 F239	P180-L216 WeakPolarHBondContact O-CD2 3.4Å; H182-L216 PolarHBondContact CE1-O 3.11Å; C213-L216 VanDerWaalsContact O-CB 3.27Å; C213-L216 WeakPolarHBondContact O-CB 3.45Å; C213-L216 PolarHBondContact O-N 3.31Å; H214-L216 PolarHBondContact O-N 3.1Å; L216-F237 HydrophobicContact CD1-CB 3.49Å; L216-F237 VanDerWaalsContact CD1-CB 3.49Å; L216-F237 HydrophobicContact CD1-CD1 4.39Å; L216-F237 HydrophobicContact CD1-CD2 3.86Å; L216-F237 HydrophobicContact CD1-CG 3.72Å; L216-F239 HydrophobicContact CB-CD1 4.23Å; L216-F239 HydrophobicContact CB-CE1 3.95Å; L216-F239 HydrophobicContact CD1-CD1 4.38Å; L216-F239 HydrophobicContact CD1-CE1 3.59Å; L216-F239 HydrophobicContact CD1-CZ 3.73Å; L216-F239 HydrophobicContact CG-CE1 4.39Å
217	R	93.4	Very high	96.3	Very high	102 Å²	102	44.5 Å²	44.5	39%	0.385	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.5	174.7	-62.6	167.8	50.5	118.6	2.4	110.2	G215 D219 F237 R238 A240	G215-R217 PolarHBondContact O-N 3.05Å; R217-D219 VanDerWaalsContact C-N 3.34Å; R217-D219 VanDerWaalsContact CB-OD1 3.3Å; R217-D219 WeakPolarHBondContact CB-OD1 3.21Å; R217-D219 IonicContact CZ-OD1 3.7Å; R217-D219 IonicContact CZ-OD2 3.08Å; R217-D219 IonicContact NE-OD1 3.75Å; R217-D219 PolarHBondContact NE-OD1 3.29Å; R217-D219 IonicContact NE-OD2 3.64Å; R217-D219 IonicContact NH2-OD1 2.76Å; R217-D219 PolarHBondContact NH2-OD1 2.84Å; R217-D219 IonicContact NH2-OD2 2.71Å; R217-D219 PolarHBondContact NH2-OD2 2.95Å; R217-F237 WeakPolarHBondContact O-CD1 3.43Å; R217-R238 HydrophobicContact CB-CB 4.49Å; R217-R238 WeakPolarHBondContact CB-O 3.36Å; R217-R238 PolarHBondContact N-O 3.4Å; R217-A240 HydrophobicContact CG-CB 4.44Å
218	E	90.9	Very high	96.3	Very high	158 Å²	158	44.7 Å²	44.7	74%	0.738	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-30.5	176.7	-62.4	-177.7	156.5	0	0	112.9	H182 F237	H182-E218 WeakPolarHBondContact NE2-CG 3.47Å; E218-F237 WeakPolarHBondContact O-CD1 3.39Å; E218-F237 WeakPolarHBondContact O-CE1 3.49Å
219	D	93.4	Very high	96.2	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.9	-179.3	63.9	-51	0	0	0	113.2	R217 R238	R217-D219 VanDerWaalsContact C-N 3.34Å; R217-D219 VanDerWaalsContact CB-OD1 3.3Å; R217-D219 WeakPolarHBondContact CB-OD1 3.21Å; R217-D219 IonicContact CZ-OD1 3.7Å; R217-D219 IonicContact CZ-OD2 3.08Å; R217-D219 IonicContact NE-OD1 3.75Å; R217-D219 PolarHBondContact NE-OD1 3.29Å; R217-D219 IonicContact NE-OD2 3.64Å; R217-D219 IonicContact NH2-OD1 2.76Å; R217-D219 PolarHBondContact NH2-OD1 2.84Å; R217-D219 IonicContact NH2-OD2 2.71Å; R217-D219 PolarHBondContact NH2-OD2 2.95Å; D219-R238 WeakPolarHBondContact O-CB 3.27Å; D219-R238 WeakPolarHBondContact O-CG 3.09Å; D219-R238 PolarHBondContact O-N 3Å; D219-R238 WeakPolarHBondContact OD2-CD 3.43Å; D219-R238 IonicContact OD2-CZ 2.74Å; D219-R238 IonicContact OD2-NE 2.84Å; D219-R238 IonicContact OD2-NH1 3.72Å; D219-R238 PolarHBondContact OD2-NH1 3.43Å
220	R	94.7	Very high	96.1	Very high	76 Å²	76	49.7 Å²	49.7	29%	0.287	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	161.2	178	-56.6	-52.8	-171	108.7	-5.6	111.7	H179 R235 P236 F237 R238	H179-R220 PolarHBondContact CD2-NH2 3.13Å; R220-R235 HydrophobicContact CB-CB 4.35Å; R220-R235 VanDerWaalsContact CD-O 3.27Å; R220-R235 WeakPolarHBondContact CD-O 3.25Å; R220-R235 PolarHBondContact NH1-O 3.33Å; R220-P236 CarbonylContact C-O 3.25Å; R220-P236 VanDerWaalsContact CA-O 3.31Å; R220-P236 WeakPolarHBondContact CA-O 3.36Å; R220-F237 VanDerWaalsContact NH2-CZ 3.31Å; R220-R238 WeakPolarHBondContact O-CD 3.47Å
221	E	96.8	Very high	95.9	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.047	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65.7	139.7	168.3	-71.3	177.3	-168	0	0	111	R235 P236 R238 K287 H336	E221-R235 HydrophobicContact CB-CB 4.47Å; E221-R235 VanDerWaalsContact CB-NH1 3.34Å; E221-R235 WeakPolarHBondContact O-CB 3.2Å; E221-R235 VanDerWaalsContact O-CG 3.27Å; E221-R235 WeakPolarHBondContact O-CG 3.43Å; E221-R235 IonicContact OE2-CZ 3.99Å; E221-R235 IonicContact OE2-NH1 4Å; E221-R235 IonicContact OE2-NH2 2.61Å; E221-R235 PolarHBondContact OE2-NH2 3.04Å; E221-P236 HydrophobicContact CB-CG 4.48Å; E221-P236 HydrophobicContact CG-CG 4.36Å; E221-P236 PolarHBondContact N-O 3.27Å; E221-R238 HydrophobicContact CG-CG 3.8Å; E221-K287 WeakPolarHBondContact OE1-CE 3.42Å; E221-K287 IonicContact OE1-NZ 3.71Å; E221-K287 PolarHBondContact OE1-NZ 2.93Å; E221-K287 IonicContact OE2-NZ 3.04Å; E221-K287 PolarHBondContact OE2-NZ 3.34Å; E221-H336 IonicContact OE1-CE1 3.03Å; E221-H336 PolarHBondContact OE1-CE1 2.73Å; E221-H336 VanDerWaalsContact OE1-CE1 3.29Å; E221-H336 IonicContact OE1-NE2 3.22Å; E221-H336 IonicContact OE2-NE2 3.55Å
222	P	96.9	Very high	95.7	Very high	60 Å²	60	60 Å²	60	39%	0.39	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.4	144.6	178.4	29.8	-34.7	0	0	0	110.8	L224 R235 Y335	P222-L224 PolarHBondContact O-N 3.2Å; P222-R235 PolarHBondContact O-NH1 2.89Å; P222-Y335 VanDerWaalsContact CD-OH 3.22Å; P222-Y335 WeakPolarHBondContact CD-OH 3.4Å; P222-Y335 HydrophobicContact CG-CD2 4.35Å; P222-Y335 HydrophobicContact CG-CE2 3.56Å
223	R	97.3	Very high	95.4	Very high	94 Å²	94	61.7 Å²	61.7	36%	0.355	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-64.5	122.6	166.4	-66	-172.8	-172.4	-80.2	-5.5	108.1	F228 D230 T231 T233 R235	R223-F228 HydrophobicContact CG-CB 4.35Å; R223-F228 PolarHBondContact NH1-O 3.17Å; R223-D230 VanDerWaalsContact CZ-O 3.29Å; R223-D230 PolarHBondContact NH1-O 2.96Å; R223-D230 PolarHBondContact NH2-O 3.21Å; R223-T231 PolarHBondContact NH2-O 3.28Å; R223-T231 VanDerWaalsContact NH2-O 3.11Å; R223-T233 PolarHBondContact NH2-O 3.48Å; R223-R235 HydrophobicContact CG-CG 3.73Å
224	L	97.5	Very high	95.3	Very high	33 Å²	33	63.9 Å²	63.9	17%	0.173	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-79.8	156.3	176.1	-58.5	-179	0	0	0	110	P222 Q226 L227 F228 A331 V332 Y335	P222-L224 PolarHBondContact O-N 3.2Å; L224-Q226 PolarHBondContact O-N 3.39Å; L224-L227 HydrophobicContact CB-CB 4.32Å; L224-L227 HydrophobicContact CB-CD1 3.99Å; L224-L227 HydrophobicContact CD1-CD1 4.45Å; L224-L227 PolarHBondContact O-N 2.99Å; L224-F228 HydrophobicContact CB-CE2 4.18Å; L224-F228 HydrophobicContact CD1-CE2 4.29Å; L224-F228 HydrophobicContact CG-CE2 4.11Å; L224-A331 HydrophobicContact CD1-CB 4.2Å; L224-V332 HydrophobicContact CD1-CG2 4.07Å; L224-Y335 HydrophobicContact CD1-CG 4.42Å; L224-Y335 HydrophobicContact CD2-CD2 3.88Å; L224-Y335 HydrophobicContact CD2-CG 3.98Å
225	E	96.3	Very high	95.3	Very high	110 Å²	110	62.2 Å²	62.2	51%	0.514	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	135	179.8	-157	-153	131.3	0	0	111.4	L227 Y327	E225-L227 WeakPolarHBondContact O-CG 3.41Å; E225-L227 PolarHBondContact O-N 3.03Å; E225-Y327 WeakPolarHBondContact O-CE1 3.37Å; E225-Y327 PolarHBondContact O-OH 2.72Å
226	Q	96.3	Very high	95.3	Very high	115 Å²	115	60.5 Å²	60.5	54%	0.537	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	19.5	178.7	-60.5	178.2	64.1	0	0	115.4	L224 A320 Y327	L224-Q226 PolarHBondContact O-N 3.39Å; Q226-A320 HydrophobicContact CB-CB 4.04Å; Q226-A320 HydrophobicContact CG-CB 4.46Å; Q226-Y327 HydrophobicContact CB-CE1 4.4Å
227	L	98.3	Very high	95.3	Very high	11 Å²	11	61 Å²	61	6%	0.058	31%	0.314	C	S	.	.			trans	-131.8	163.5	-177.5	-65.3	167.6	0	0	0	111.7	L196 C197 L224 E225 Y327 G328 A331	L196-L227 HydrophobicContact CD1-CD2 4.12Å; L196-L227 HydrophobicContact CG-CD2 4.35Å; L196-L227 WeakPolarHBondContact O-CD2 3.12Å; C197-L227 HydrophobicContact CB-CD2 3.96Å; L224-L227 HydrophobicContact CB-CB 4.32Å; L224-L227 HydrophobicContact CB-CD1 3.99Å; L224-L227 HydrophobicContact CD1-CD1 4.45Å; L224-L227 PolarHBondContact O-N 2.99Å; E225-L227 WeakPolarHBondContact O-CG 3.41Å; E225-L227 PolarHBondContact O-N 3.03Å; L227-Y327 HydrophobicContact CD1-CD1 4.11Å; L227-Y327 HydrophobicContact CD1-CE1 3.87Å; L227-Y327 HydrophobicContact CD2-CD1 4.16Å; L227-Y327 HydrophobicContact CD2-CE1 4.46Å; L227-Y327 HydrophobicContact CG-CD1 4.18Å; L227-Y327 HydrophobicContact CG-CE1 3.99Å; L227-G328 VanDerWaalsContact CD2-CA 3.49Å; L227-A331 HydrophobicContact CD1-CB 3.61Å
228	F	98.3	Very high	95.4	Very high	4 Å²	4	59 Å²	59	2%	0.018	31%	0.307	C	S	.	.			trans	54.7	55.5	-176.9	-46.3	-77.6	0	0	0	112.9	E194 L195 L196 L207 R223 L224 D230 V332	E194-F228 VanDerWaalsContact CD-CE1 3.48Å; E194-F228 HydrophobicContact CG-CD1 4.3Å; E194-F228 HydrophobicContact CG-CE1 4.18Å; E194-F228 WeakPolarHBondContact OE2-CD1 3.15Å; E194-F228 WeakPolarHBondContact OE2-CE1 3.32Å; L195-F228 WeakPolarHBondContact O-CA 3.3Å; L196-F228 HydrophobicContact CD1-CE1 3.76Å; L196-F228 HydrophobicContact CD1-CE2 4.29Å; L196-F228 HydrophobicContact CD1-CZ 3.6Å; L196-F228 PolarHBondContact O-N 3.37Å; L207-F228 HydrophobicContact CD2-CE1 4.03Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å; R223-F228 HydrophobicContact CG-CB 4.35Å; R223-F228 PolarHBondContact NH1-O 3.17Å; L224-F228 HydrophobicContact CB-CE2 4.18Å; L224-F228 HydrophobicContact CD1-CE2 4.29Å; L224-F228 HydrophobicContact CG-CE2 4.11Å; F228-D230 VanDerWaalsContact C-N 3.26Å; F228-D230 PolarHBondContact O-N 3.24Å; F228-V332 HydrophobicContact CE2-CG2 4.29Å; F228-V332 HydrophobicContact CZ-CG2 3.73Å
229	P	97.6	Very high	95.6	Very high	65 Å²	65	52.5 Å²	52.5	42%	0.422	28%	0.276	S	S	.	.			trans	-70.5	-19.7	-170.4	30.7	-37.1	0	0	0	113.7	L195 Y198 T231	L195-P229 HydrophobicContact CD2-CG 3.83Å; L195-P229 HydrophobicContact CG-CG 4.19Å; Y198-P229 HydrophobicContact CD2-CG 4.05Å; Y198-P229 HydrophobicContact CE2-CG 3.96Å; P229-T231 PolarHBondContact O-N 3.07Å; P229-T231 VanDerWaalsContact O-N 3.12Å
230	D	95.9	Very high	95.7	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	28%	0.28	C	S	.	.			trans	-72.1	100.5	167.3	175.2	6.6	0	0	0	109.5	R223 F228 S232 T233	R223-D230 VanDerWaalsContact CZ-O 3.29Å; R223-D230 PolarHBondContact NH1-O 2.96Å; R223-D230 PolarHBondContact NH2-O 3.21Å; F228-D230 VanDerWaalsContact C-N 3.26Å; F228-D230 PolarHBondContact O-N 3.24Å; D230-S232 VanDerWaalsContact C-N 3.32Å; D230-S232 WeakPolarHBondContact OD1-CA 3.22Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.79Å; D230-S232 PolarHBondContact OD1-OG 2.88Å; D230-T233 PolarHBondContact OD1-N 2.78Å; D230-T233 VanDerWaalsContact OD1-N 3.14Å; D230-T233 VanDerWaalsContact OD2-CB 3.26Å; D230-T233 WeakPolarHBondContact OD2-CB 3.26Å; D230-T233 PolarHBondContact OD2-OG1 3.36Å
231	T	94.6	Very high	95.6	Very high	114 Å²	114	51.7 Å²	51.7	70%	0.699	30%	0.3	S	S	*	.	S	Bend	trans	-76.1	-17.7	177.9	50.3	0	0	0	0	113.7	R223 P229	R223-T231 PolarHBondContact NH2-O 3.28Å; R223-T231 VanDerWaalsContact NH2-O 3.11Å; P229-T231 PolarHBondContact O-N 3.07Å; P229-T231 VanDerWaalsContact O-N 3.12Å
232	S	93.9	Very high	95.5	Very high	102 Å²	102	51.5 Å²	51.5	71%	0.713	30%	0.299	S	S	*	.	S	Bend	trans	-78.8	-42.9	-176.8	70.5	0	0	0	0	112.4	D230 P234	D230-S232 VanDerWaalsContact C-N 3.32Å; D230-S232 WeakPolarHBondContact OD1-CA 3.22Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.79Å; D230-S232 PolarHBondContact OD1-OG 2.88Å; S232-P234 WeakPolarHBondContact O-CD 3.22Å
233	T	90.4	Very high	95.5	Very high	36 Å²	36	52.2 Å²	52.2	22%	0.221	29%	0.294	C	S	.	.	S	Bend	trans	-69.1	120.2	171.3	-59.5	0	0	0	0	109.8	R223 D230	R223-T233 PolarHBondContact NH2-O 3.48Å; D230-T233 PolarHBondContact OD1-N 2.78Å; D230-T233 VanDerWaalsContact OD1-N 3.14Å; D230-T233 VanDerWaalsContact OD2-CB 3.26Å; D230-T233 WeakPolarHBondContact OD2-CB 3.26Å; D230-T233 PolarHBondContact OD2-OG1 3.36Å
234	P	93.3	Very high	95.5	Very high	54 Å²	54	47.9 Å²	47.9	35%	0.351	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-71.7	136.2	177	29.6	-34.1	0	0	0	110.9	H192 S232	H192-P234 PolarHBondContact CE1-O 2.93Å; H192-P234 PolarHBondContact NE2-O 3.28Å; S232-P234 WeakPolarHBondContact O-CD 3.22Å
235	R	95.6	Very high	95.6	Very high	12 Å²	12	46.3 Å²	46.3	5%	0.045	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-52.1	152.5	173.9	-67.4	-58.8	-38.7	-63.4	-1.3	111.4	E194 R220 E221 P222 R223	E194-R235 IonicContact OE1-CZ 3.71Å; E194-R235 IonicContact OE1-NE 3.61Å; E194-R235 IonicContact OE1-NH2 2.92Å; E194-R235 PolarHBondContact OE1-NH2 2.86Å; E194-R235 WeakPolarHBondContact OE2-CD 3.39Å; E194-R235 IonicContact OE2-CZ 3.48Å; E194-R235 IonicContact OE2-NE 2.75Å; E194-R235 PolarHBondContact OE2-NE 3.28Å; E194-R235 IonicContact OE2-NH2 3.78Å; E194-R235 PolarHBondContact OE2-NH2 3.27Å; R220-R235 HydrophobicContact CB-CB 4.35Å; R220-R235 VanDerWaalsContact CD-O 3.27Å; R220-R235 WeakPolarHBondContact CD-O 3.25Å; R220-R235 PolarHBondContact NH1-O 3.33Å; E221-R235 HydrophobicContact CB-CB 4.47Å; E221-R235 VanDerWaalsContact CB-NH1 3.34Å; E221-R235 WeakPolarHBondContact O-CB 3.2Å; E221-R235 VanDerWaalsContact O-CG 3.27Å; E221-R235 WeakPolarHBondContact O-CG 3.43Å; E221-R235 IonicContact OE2-CZ 3.99Å; E221-R235 IonicContact OE2-NH1 4Å; E221-R235 IonicContact OE2-NH2 2.61Å; E221-R235 PolarHBondContact OE2-NH2 3.04Å; P222-R235 PolarHBondContact O-NH1 2.89Å; R223-R235 HydrophobicContact CG-CG 3.73Å
236	P	95.4	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-62.1	156.4	-179.5	24.5	-32.8	0	0	0	112.7	Y190 H192 E194 T209 R220 E221	Y190-P236 HydrophobicContact CE1-CB 4.13Å; Y190-P236 WeakPolarHBondContact OH-CA 3.42Å; H192-P236 HydrophobicContact CB-CB 4.37Å; H192-P236 WeakPolarHBondContact NE2-CD 3.45Å; E194-P236 WeakPolarHBondContact OE1-CD 3.35Å; T209-P236 HydrophobicContact CG2-CB 4.03Å; T209-P236 HydrophobicContact CG2-CG 4.33Å; R220-P236 CarbonylContact C-O 3.25Å; R220-P236 VanDerWaalsContact CA-O 3.31Å; R220-P236 WeakPolarHBondContact CA-O 3.36Å; E221-P236 HydrophobicContact CB-CG 4.48Å; E221-P236 HydrophobicContact CG-CG 4.36Å; E221-P236 PolarHBondContact N-O 3.27Å
237	F	95.4	Very high	95.9	Very high	30 Å²	30	35.6 Å²	35.6	13%	0.132	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	153.3	170	-73.4	-72.5	0	0	0	111.3	H179 Y190 L216 R217 E218 R220 F239	H179-F237 HydrophobicContact CB-CE2 4.45Å; Y190-F237 AromaticContact CE2-CD2 3.89Å; Y190-F237 HydrophobicContact CE2-CD2 3.89Å; Y190-F237 PolarHBondContact OH-N 3.33Å; Y190-F237 VanDerWaalsContact OH-N 3.17Å; L216-F237 HydrophobicContact CD1-CB 3.49Å; L216-F237 VanDerWaalsContact CD1-CB 3.49Å; L216-F237 HydrophobicContact CD1-CD1 4.39Å; L216-F237 HydrophobicContact CD1-CD2 3.86Å; L216-F237 HydrophobicContact CD1-CG 3.72Å; R217-F237 WeakPolarHBondContact O-CD1 3.43Å; E218-F237 WeakPolarHBondContact O-CD1 3.39Å; E218-F237 WeakPolarHBondContact O-CE1 3.49Å; R220-F237 VanDerWaalsContact NH2-CZ 3.31Å; F237-F239 HydrophobicContact CB-CE2 4.35Å; F237-F239 HydrophobicContact CB-CZ 4.39Å; F237-F239 WeakPolarHBondContact O-CD2 3.39Å; F237-F239 WeakPolarHBondContact O-CE2 3.29Å
238	R	95.3	Very high	95.9	Very high	60 Å²	60	35.1 Å²	35.1	23%	0.226	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	154.7	171.4	-65.8	174.8	73.3	-156.1	6.8	110.8	R217 D219 R220 E221 H339	R217-R238 HydrophobicContact CB-CB 4.49Å; R217-R238 WeakPolarHBondContact CB-O 3.36Å; R217-R238 PolarHBondContact N-O 3.4Å; D219-R238 WeakPolarHBondContact O-CB 3.27Å; D219-R238 WeakPolarHBondContact O-CG 3.09Å; D219-R238 PolarHBondContact O-N 3Å; D219-R238 WeakPolarHBondContact OD2-CD 3.43Å; D219-R238 IonicContact OD2-CZ 2.74Å; D219-R238 IonicContact OD2-NE 2.84Å; D219-R238 IonicContact OD2-NH1 3.72Å; D219-R238 PolarHBondContact OD2-NH1 3.43Å; R220-R238 WeakPolarHBondContact O-CD 3.47Å; E221-R238 HydrophobicContact CG-CG 3.8Å; R238-H339 PolarHBondContact NH2-O 3.27Å
239	F	95.3	Very high	95.9	Very high	20 Å²	20	34.9 Å²	34.9	9%	0.088	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.5	179.3	-61.9	-92.8	0	0	0	110.3	Y190 T211 S212 G215 L216 F237 K242 V285	Y190-F239 AromaticContact CD1-CE2 3.91Å; Y190-F239 HydrophobicContact CD1-CE2 3.91Å; Y190-F239 AromaticContact CD1-CZ 3.67Å; Y190-F239 HydrophobicContact CD1-CZ 3.67Å; Y190-F239 AromaticContact CD2-CZ 3.92Å; Y190-F239 HydrophobicContact CD2-CZ 3.92Å; Y190-F239 AromaticContact CE1-CE2 3.99Å; Y190-F239 HydrophobicContact CE1-CE2 3.99Å; Y190-F239 HydrophobicContact CE1-CZ 4.03Å; Y190-F239 HydrophobicContact CE2-CZ 4.31Å; Y190-F239 HydrophobicContact CG-CE1 4.48Å; Y190-F239 HydrophobicContact CG-CE2 4.31Å; Y190-F239 AromaticContact CG-CZ 3.6Å; Y190-F239 HydrophobicContact CG-CZ 3.6Å; T211-F239 HydrophobicContact CG2-CD1 3.73Å; T211-F239 HydrophobicContact CG2-CD2 3.76Å; T211-F239 HydrophobicContact CG2-CE1 3.46Å; T211-F239 VanDerWaalsContact CG2-CE1 3.46Å; T211-F239 HydrophobicContact CG2-CE2 3.51Å; T211-F239 HydrophobicContact CG2-CG 3.89Å; T211-F239 HydrophobicContact CG2-CZ 3.36Å; S212-F239 WeakPolarHBondContact O-CE1 3.39Å; G215-F239 CarbonylContact O-C 3.52Å; G215-F239 VanDerWaalsContact O-CA 3.3Å; G215-F239 WeakPolarHBondContact O-CA 3.31Å; L216-F239 HydrophobicContact CB-CD1 4.23Å; L216-F239 HydrophobicContact CB-CE1 3.95Å; L216-F239 HydrophobicContact CD1-CD1 4.38Å; L216-F239 HydrophobicContact CD1-CE1 3.59Å; L216-F239 HydrophobicContact CD1-CZ 3.73Å; L216-F239 HydrophobicContact CG-CE1 4.39Å; F237-F239 HydrophobicContact CB-CE2 4.35Å; F237-F239 HydrophobicContact CB-CZ 4.39Å; F237-F239 WeakPolarHBondContact O-CD2 3.39Å; F237-F239 WeakPolarHBondContact O-CE2 3.29Å; F239-K242 HydrophobicContact CB-CD 4.44Å; F239-V285 HydrophobicContact CB-CG2 3.75Å; F239-V285 HydrophobicContact CD2-CG2 3.89Å; F239-V285 HydrophobicContact CG-CG2 4Å
240	A	94.3	Very high	96	Very high	49 Å²	49	31.9 Å²	31.9	41%	0.405	20%	0.196	S	C	.	.	S	Bend	trans	-79.7	157.3	173.1	0	0	0	0	0	111.6	G215 R217 K242	G215-A240 PolarHBondContact O-N 3.11Å; R217-A240 HydrophobicContact CG-CB 4.44Å; A240-K242 PolarHBondContact O-N 2.97Å; A240-K242 VanDerWaalsContact O-N 3.12Å
241	G	93.3	Very high	96.1	Very high	67 Å²	67	30 Å²	30	69%	0.691	19%	0.186	S	C	*	.	S	Bend	trans	71.2	1.3	173	0	0	0	0	0	116	L342	G241-L342 VanDerWaalsContact C-CD2 3.43Å; G241-L342 WeakPolarHBondContact O-CD2 3.3Å
242	K	95.6	Very high	96.3	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.026	15%	0.153	C	C	.	.			trans	-118.1	146.4	-179	-58.3	-170.3	-160.4	-179.6	0	111.6	T211 S212 H214 F239 A240 R281 R282 L283 V285	T211-K242 WeakPolarHBondContact OG1-CD 3.31Å; T211-K242 PolarHBondContact OG1-NZ 3.49Å; S212-K242 PolarHBondContact O-NZ 2.82Å; S212-K242 PolarHBondContact OG-NZ 3.23Å; H214-K242 WeakPolarHBondContact O-CE 3.05Å; H214-K242 PolarHBondContact O-NZ 2.95Å; F239-K242 HydrophobicContact CB-CD 4.44Å; A240-K242 PolarHBondContact O-N 2.97Å; A240-K242 VanDerWaalsContact O-N 3.12Å; K242-R281 PolarHBondContact NZ-O 2.82Å; K242-R282 WeakPolarHBondContact CD-O 3.27Å; K242-R282 WeakPolarHBondContact CE-O 3.35Å; K242-R282 WeakPolarHBondContact CG-O 3.07Å; K242-L283 WeakPolarHBondContact CA-O 3.5Å; K242-L283 WeakPolarHBondContact CB-O 3.41Å; K242-V285 HydrophobicContact CB-CG2 4.12Å; K242-V285 HydrophobicContact CD-CG2 4.16Å
243	R	95.7	Very high	96.5	Very high	75 Å²	75	19.8 Å²	19.8	28%	0.283	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	159.8	170.6	-68.4	-174	-65.3	166.9	2.9	111.1	L283 F284 V285 L342 S425 G426 A428	R243-L283 PolarHBondContact N-O 2.85Å; R243-F284 VanDerWaalsContact O-CA 3.27Å; R243-F284 WeakPolarHBondContact O-CA 3.34Å; R243-V285 PolarHBondContact O-N 3.41Å; R243-L342 HydrophobicContact CG-CD1 3.93Å; R243-L342 HydrophobicContact CG-CD2 4.18Å; R243-L342 HydrophobicContact CG-CG 3.84Å; R243-S425 WeakPolarHBondContact CD-O 3.45Å; R243-G426 CarbonylContact C-O 3.49Å; R243-G426 VanDerWaalsContact CA-O 3.31Å; R243-G426 WeakPolarHBondContact CA-O 3.09Å; R243-G426 WeakPolarHBondContact CB-O 3.39Å; R243-A428 HydrophobicContact CB-CB 3.76Å
244	I	98.4	Very high	96.8	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.8	178.5	-53.2	-48.4	0	0	0	111	F246 V285 K287 H336 G426 V427 A428 Y429	I244-F246 HydrophobicContact CG2-CB 4.27Å; I244-V285 WeakPolarHBondContact CA-O 3.32Å; I244-V285 HydrophobicContact CD1-CB 3.7Å; I244-V285 HydrophobicContact CD1-CG1 4.16Å; I244-V285 HydrophobicContact CD1-CG2 4.48Å; I244-K287 HydrophobicContact CD1-CG 4.44Å; I244-K287 HydrophobicContact CG2-CB 3.85Å; I244-K287 HydrophobicContact CG2-CG 3.66Å; I244-H336 HydrophobicContact CB-CB 4.47Å; I244-H336 HydrophobicContact CD1-CB 4.38Å; I244-H336 HydrophobicContact CG1-CB 3.46Å; I244-H336 VanDerWaalsContact CG1-CB 3.46Å; I244-H336 VanDerWaalsContact CG1-CG 3.49Å; I244-G426 PolarHBondContact N-O 2.94Å; I244-V427 HydrophobicContact CB-CG2 4.22Å; I244-A428 PolarHBondContact O-N 2.71Å; I244-Y429 PolarHBondContact O-N 2.85Å
245	F	98.8	Very high	97.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.9	157.8	-167.8	-64.2	0	0	0	107.6	L247 F265 F284 V285 F286 K287 Y429 V431 Y461 A566	F245-L247 HydrophobicContact CE1-CB 4.36Å; F245-F265 HydrophobicContact CD1-CE2 4.4Å; F245-F265 AromaticContact CD1-CZ 3.72Å; F245-F265 HydrophobicContact CD1-CZ 3.72Å; F245-F265 HydrophobicContact CE1-CE1 4.48Å; F245-F265 AromaticContact CE1-CE2 3.74Å; F245-F265 HydrophobicContact CE1-CE2 3.74Å; F245-F265 AromaticContact CE1-CZ 3.51Å; F245-F265 HydrophobicContact CE1-CZ 3.51Å; F245-F265 HydrophobicContact CE2-CE2 4.4Å; F245-F265 HydrophobicContact CE2-CZ 4.41Å; F245-F265 HydrophobicContact CG-CZ 4.29Å; F245-F265 AromaticContact CZ-CE2 3.76Å; F245-F265 HydrophobicContact CZ-CE2 3.76Å; F245-F265 AromaticContact CZ-CZ 3.89Å; F245-F265 HydrophobicContact CZ-CZ 3.89Å; F245-F284 HydrophobicContact CB-CB 4.29Å; F245-F284 HydrophobicContact CB-CD1 4.31Å; F245-F284 HydrophobicContact CB-CG 4.35Å; F245-V285 PolarHBondContact N-O 3.09Å; F245-F286 HydrophobicContact CB-CD1 3.64Å; F245-F286 HydrophobicContact CB-CE1 3.69Å; F245-F286 HydrophobicContact CD1-CD1 4.18Å; F245-F286 HydrophobicContact CD1-CE1 4.34Å; F245-F286 HydrophobicContact CD2-CE1 4.24Å; F245-F286 AromaticContact CG-CD1 3.98Å; F245-F286 HydrophobicContact CG-CD1 3.98Å; F245-F286 AromaticContact CG-CE1 3.83Å; F245-F286 HydrophobicContact CG-CE1 3.83Å; F245-F286 WeakPolarHBondContact O-CA 3.34Å; F245-K287 PolarHBondContact O-N 3.38Å; F245-Y429 AromaticContact CD2-CD2 3.4Å; F245-Y429 HydrophobicContact CD2-CD2 3.4Å; F245-Y429 HydrophobicContact CD2-CE2 4.26Å; F245-Y429 AromaticContact CD2-CG 3.67Å; F245-Y429 HydrophobicContact CD2-CG 3.67Å; F245-Y429 HydrophobicContact CE2-CD1 4.18Å; F245-Y429 AromaticContact CE2-CD2 3.66Å; F245-Y429 HydrophobicContact CE2-CD2 3.66Å; F245-Y429 HydrophobicContact CE2-CE2 4.37Å; F245-Y429 AromaticContact CE2-CG 3.57Å; F245-Y429 HydrophobicContact CE2-CG 3.57Å; F245-Y429 HydrophobicContact CG-CD2 4.34Å; F245-Y429 HydrophobicContact CG-CG 4.48Å; F245-Y429 HydrophobicContact CZ-CG 4.31Å; F245-V431 HydrophobicContact CE1-CG2 4.36Å; F245-V431 HydrophobicContact CZ-CG2 4.2Å; F245-Y461 WeakPolarHBondContact CZ-OH 3.45Å; F245-A566 HydrophobicContact CD2-CB 4.48Å; F245-A566 HydrophobicContact CE2-CB 4.14Å
246	F	98.9	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.5	-179.7	-163.2	-76.1	0	0	0	110.6	I244 K287 I289 A329 V332 L333 Y429 Y430 V431	I244-F246 HydrophobicContact CG2-CB 4.27Å; F246-K287 WeakPolarHBondContact CA-O 3.49Å; F246-K287 HydrophobicContact CD2-CB 3.87Å; F246-K287 HydrophobicContact CE2-CB 4.32Å; F246-I289 HydrophobicContact CE1-CD1 4.31Å; F246-I289 HydrophobicContact CZ-CD1 3.72Å; F246-I289 HydrophobicContact CZ-CG1 4.38Å; F246-A329 HydrophobicContact CE1-CB 4.37Å; F246-A329 HydrophobicContact CZ-CB 3.96Å; F246-V332 HydrophobicContact CE2-CB 4.35Å; F246-V332 HydrophobicContact CE2-CG1 4.06Å; F246-L333 HydrophobicContact CB-CD1 4.24Å; F246-L333 HydrophobicContact CD1-CD1 4.39Å; F246-L333 HydrophobicContact CD2-CB 4.26Å; F246-L333 HydrophobicContact CD2-CD1 4.35Å; F246-L333 HydrophobicContact CE2-CB 4.36Å; F246-L333 HydrophobicContact CG-CD1 4.07Å; F246-Y429 PolarHBondContact N-O 2.83Å; F246-Y430 HydrophobicContact CB-CD2 4.3Å; F246-Y430 AromaticContact CD1-CD2 3.57Å; F246-Y430 HydrophobicContact CD1-CD2 3.57Å; F246-Y430 AromaticContact CD1-CE2 3.72Å; F246-Y430 HydrophobicContact CD1-CE2 3.72Å; F246-Y430 HydrophobicContact CE1-CD2 4.26Å; F246-Y430 AromaticContact CE1-CE2 3.96Å; F246-Y430 HydrophobicContact CE1-CE2 3.96Å; F246-Y430 HydrophobicContact CG-CD2 4.18Å; F246-Y430 WeakPolarHBondContact O-CA 3.21Å; F246-V431 PolarHBondContact O-N 3.38Å
247	L	98.9	Very high	97.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.4	179.8	-173.5	64.6	0	0	0	111.1	F245 F262 F265 K287 L288 I289 V431 L433 M562	F245-L247 HydrophobicContact CE1-CB 4.36Å; L247-F262 HydrophobicContact CD2-CD2 3.79Å; L247-F262 HydrophobicContact CD2-CE2 4.11Å; L247-F262 HydrophobicContact CG-CD2 3.98Å; L247-F262 HydrophobicContact CG-CE2 4.19Å; L247-F265 HydrophobicContact CD2-CB 4.2Å; L247-F265 HydrophobicContact CD2-CD1 3.64Å; L247-F265 HydrophobicContact CD2-CD2 4.28Å; L247-F265 HydrophobicContact CD2-CE1 4Å; L247-F265 HydrophobicContact CD2-CG 3.8Å; L247-F265 HydrophobicContact CD2-CZ 4.46Å; L247-K287 PolarHBondContact N-O 3.45Å; L247-L288 HydrophobicContact CB-CD2 3.52Å; L247-L288 HydrophobicContact CD2-CD2 4.15Å; L247-L288 HydrophobicContact CG-CD2 4.43Å; L247-L288 CarbonylContact O-C 3.51Å; L247-L288 WeakPolarHBondContact O-CA 3.39Å; L247-I289 PolarHBondContact O-N 3.41Å; L247-V431 WeakPolarHBondContact CA-O 3.37Å; L247-V431 HydrophobicContact CD1-CB 3.75Å; L247-V431 HydrophobicContact CD1-CG1 4.08Å; L247-L433 HydrophobicContact CD1-CD1 3.9Å; L247-L433 HydrophobicContact CD1-CD2 4.01Å; L247-L433 HydrophobicContact CD1-CG 3.82Å; L247-L433 HydrophobicContact CD2-CD1 4.39Å; L247-L433 HydrophobicContact CG-CD1 4.28Å; L247-M562 HydrophobicContact CD1-CE 3.59Å; L247-M562 HydrophobicContact CD2-CE 4.05Å
248	S	98.9	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.6	173.7	59.3	0	0	0	0	113.2	I289 V431 L433	S248-I289 WeakPolarHBondContact CA-O 3.31Å; S248-V431 PolarHBondContact N-O 2.7Å; S248-L433 WeakPolarHBondContact O-CB 3.38Å; S248-L433 WeakPolarHBondContact O-CG 3.41Å; S248-L433 PolarHBondContact O-N 3.01Å
249	S	98.8	Very high	97.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	165.9	177.7	39.9	0	0	0	0	113.2	V251 F262 I289 P290 L292	S249-V251 VanDerWaalsContact C-N 3.32Å; S249-V251 PolarHBondContact O-N 3.06Å; S249-F262 WeakPolarHBondContact OG-CD2 3.28Å; S249-F262 WeakPolarHBondContact OG-CG 3.34Å; S249-I289 PolarHBondContact N-O 2.82Å; S249-I289 VanDerWaalsContact N-O 3.15Å; S249-P290 PolarHBondContact OG-O 2.97Å; S249-L292 PolarHBondContact O-N 2.69Å
250	R	98.5	Very high	97.8	Very high	1 Å²	1	11 Å²	11	0%	0.004	8%	0.075	C	C	.	.			trans	53.9	39.9	173.1	-56.2	-70.5	-73.9	-72.4	0.7	114.7	F159 H252 P253 S258 S259 M291 N293	F159-R250 VanDerWaalsContact O-CZ 3.31Å; F159-R250 PolarHBondContact O-NH1 2.57Å; F159-R250 PolarHBondContact O-NH2 2.96Å; R250-H252 PolarHBondContact O-N 2.91Å; R250-P253 VanDerWaalsContact CZ-O 3.29Å; R250-P253 PolarHBondContact NE-O 3.37Å; R250-P253 PolarHBondContact NH2-O 2.85Å; R250-S258 WeakPolarHBondContact CD-OG 3.34Å; R250-S258 WeakPolarHBondContact CG-OG 3.16Å; R250-S258 PolarHBondContact N-OG 2.85Å; R250-S259 WeakPolarHBondContact CD-OG 3.42Å; R250-S259 WeakPolarHBondContact CG-OG 3.36Å; R250-S259 PolarHBondContact NH1-OG 3.18Å; R250-M291 HydrophobicContact CB-CB 4.49Å; R250-M291 HydrophobicContact CB-CG 3.95Å; R250-N293 VanDerWaalsContact O-CB 3.27Å; R250-N293 WeakPolarHBondContact O-CB 3.43Å; R250-N293 PolarHBondContact O-N 3.47Å; R250-N293 VanDerWaalsContact O-N 3.11Å
251	V	98.8	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-66.4	-23.8	163	62.8	0	0	0	0	111.7	S249 L292 N293 L311 N312 I326 H434	S249-V251 VanDerWaalsContact C-N 3.32Å; S249-V251 PolarHBondContact O-N 3.06Å; V251-L292 HydrophobicContact CB-CB 3.91Å; V251-L292 HydrophobicContact CB-CD1 3.87Å; V251-L292 HydrophobicContact CG2-CB 4.4Å; V251-L292 HydrophobicContact CG2-CD1 4.39Å; V251-N293 WeakPolarHBondContact O-CB 3.4Å; V251-N293 PolarHBondContact O-ND2 2.92Å; V251-N293 VanDerWaalsContact O-ND2 3.16Å; V251-L311 HydrophobicContact CG2-CB 3.53Å; V251-N312 HydrophobicContact CG1-CB 4.05Å; V251-N312 HydrophobicContact CG2-CB 4.1Å; V251-I326 HydrophobicContact CG2-CD1 3.88Å; V251-H434 WeakPolarHBondContact CG1-CE1 3.49Å
252	H	98.6	Very high	98.3	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.009	2%	0.023	C	C	.	.	S	Bend	trans	-109.1	125.1	165.5	-47.1	127.1	0	0	0	109.5	R250 G254 E255 R303 N312 H434	R250-H252 PolarHBondContact O-N 2.91Å; H252-G254 PolarHBondContact O-N 2.65Å; H252-E255 HydrophobicContact CB-CB 4.19Å; H252-E255 HydrophobicContact CB-CG 3.84Å; H252-E255 WeakPolarHBondContact CB-OE1 3.49Å; H252-E255 IonicContact CE1-OE2 2.73Å; H252-E255 IonicContact CG-OE1 2.69Å; H252-E255 IonicContact CG-OE2 3.97Å; H252-E255 IonicContact ND1-OE1 2.77Å; H252-E255 PolarHBondContact ND1-OE1 2.91Å; H252-E255 IonicContact ND1-OE2 3.8Å; H252-E255 PolarHBondContact ND1-OE2 3.32Å; H252-E255 PolarHBondContact O-N 2.92Å; H252-R303 VanDerWaalsContact CD2-CZ 3.41Å; H252-R303 PolarHBondContact CE1-NH1 3.13Å; H252-R303 PolarHBondContact CE1-NH2 3.49Å; H252-R303 PolarHBondContact ND1-NH1 2.96Å; H252-R303 PolarHBondContact NE2-NH1 3.17Å; H252-R303 PolarHBondContact NE2-NH2 2.86Å; H252-N312 VanDerWaalsContact NE2-CB 3.26Å; H252-N312 WeakPolarHBondContact NE2-CB 3.44Å; H252-H434 AromaticContact CE1-CE1 3.08Å; H252-H434 PolarHBondContact CE1-CE1 2.97Å; H252-H434 AromaticContact CE1-ND1 3.01Å; H252-H434 PolarHBondContact CE1-ND1 3.15Å; H252-H434 AromaticContact ND1-CE1 3.4Å; H252-H434 PolarHBondContact ND1-CE1 2.86Å; H252-H434 AromaticContact ND1-ND1 3.06Å; H252-H434 PolarHBondContact ND1-ND1 2.8Å
253	P	98.5	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-46.1	-171.1	-33.3	39.3	0	0	0	116.7	R250 E255 N293 G296 V297 H301	R250-P253 VanDerWaalsContact CZ-O 3.29Å; R250-P253 PolarHBondContact NE-O 3.37Å; R250-P253 PolarHBondContact NH2-O 2.85Å; P253-E255 PolarHBondContact O-N 2.77Å; P253-N293 HydrophobicContact CG-CB 4.4Å; P253-G296 VanDerWaalsContact CB-C 3.4Å; P253-G296 WeakPolarHBondContact CB-O 3.47Å; P253-G296 VanDerWaalsContact CG-C 3.41Å; P253-G296 VanDerWaalsContact CG-CA 3.48Å; P253-V297 HydrophobicContact CB-CG2 3.82Å; P253-V297 HydrophobicContact CG-CG2 4.5Å; P253-H301 HydrophobicContact CB-CB 4.17Å; P253-H301 WeakPolarHBondContact CB-O 3.32Å; P253-H301 HydrophobicContact CG-CB 4.04Å
254	G	97.6	Very high	98.6	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.01	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.8	-174.9	0	0	0	0	0	114.4	H252 T256 Y302 Y519	H252-G254 PolarHBondContact O-N 2.65Å; G254-T256 PolarHBondContact O-N 3.21Å; G254-Y302 PolarHBondContact N-O 3.41Å; G254-Y519 PolarHBondContact O-OH 2.77Å
255	E	98.4	Very high	98.6	Very high	6 Å²	6	2.4 Å²	2.4	3%	0.028	1%	0.012	C	C	.	.			trans	-84.6	49.5	-175.2	-69.6	179.4	-156.2	0	0	111.7	H252 P253 P257 S258 R303 H434 G435 Y519	H252-E255 HydrophobicContact CB-CB 4.19Å; H252-E255 HydrophobicContact CB-CG 3.84Å; H252-E255 WeakPolarHBondContact CB-OE1 3.49Å; H252-E255 IonicContact CE1-OE2 2.73Å; H252-E255 IonicContact CG-OE1 2.69Å; H252-E255 IonicContact CG-OE2 3.97Å; H252-E255 IonicContact ND1-OE1 2.77Å; H252-E255 PolarHBondContact ND1-OE1 2.91Å; H252-E255 IonicContact ND1-OE2 3.8Å; H252-E255 PolarHBondContact ND1-OE2 3.32Å; H252-E255 PolarHBondContact O-N 2.92Å; P253-E255 PolarHBondContact O-N 2.77Å; E255-P257 WeakPolarHBondContact O-CD 3.35Å; E255-S258 WeakPolarHBondContact O-CB 3.43Å; E255-S258 PolarHBondContact O-N 2.92Å; E255-S258 VanDerWaalsContact O-N 3.09Å; E255-S258 PolarHBondContact O-OG 2.86Å; E255-R303 IonicContact OE1-CZ 3.86Å; E255-R303 IonicContact OE1-NH1 3.32Å; E255-R303 PolarHBondContact OE1-NH1 2.98Å; E255-H434 WeakPolarHBondContact OE2-CB 3.39Å; E255-H434 IonicContact OE2-CG 3.56Å; E255-H434 IonicContact OE2-ND1 2.77Å; E255-H434 PolarHBondContact OE2-ND1 3.1Å; E255-G435 PolarHBondContact OE2-N 3.41Å; E255-Y519 WeakPolarHBondContact CA-OH 3.4Å; E255-Y519 WeakPolarHBondContact CG-OH 3.34Å
256	T	98.2	Very high	98.7	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.006	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28	-174.3	73.8	0	0	0	0	116.8	W74 C156 Y157 G254 S258 S259 F260	W74-T256 HydrophobicContact CH2-CG2 3.79Å; W74-T256 HydrophobicContact CZ3-CG2 3.82Å; C156-T256 PolarHBondContact SG-OG1 3.13Å; Y157-T256 WeakPolarHBondContact O-CB 3.3Å; Y157-T256 PolarHBondContact O-OG1 2.68Å; G254-T256 PolarHBondContact O-N 3.21Å; T256-S258 PolarHBondContact O-N 3.19Å; T256-S259 PolarHBondContact O-N 3.11Å; T256-F260 WeakPolarHBondContact O-CD2 3.45Å
257	P	98.4	Very high	98.6	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.013	3%	0.028	C	C	.	.	H	α-helix	trans	-52	-29.3	172.2	-31.1	39	0	0	0	114	E255 S259 F260 V261 C517 Y519 F555	E255-P257 WeakPolarHBondContact O-CD 3.35Å; P257-S259 VanDerWaalsContact C-N 3.35Å; P257-S259 PolarHBondContact O-N 3.23Å; P257-F260 PolarHBondContact O-N 3.14Å; P257-V261 WeakPolarHBondContact O-CG2 3.18Å; P257-V261 PolarHBondContact O-N 3.17Å; P257-V261 VanDerWaalsContact O-N 3.11Å; P257-C517 HydrophobicContact CB-CB 3.65Å; P257-Y519 HydrophobicContact CG-CD1 3.57Å; P257-Y519 HydrophobicContact CG-CE1 3.82Å; P257-Y519 HydrophobicContact CG-CG 4.25Å; P257-F555 HydrophobicContact CB-CD1 4.18Å; P257-F555 HydrophobicContact CB-CE1 3.87Å; P257-F555 HydrophobicContact CB-CE2 4.25Å; P257-F555 HydrophobicContact CB-CZ 3.91Å; P257-F555 HydrophobicContact CG-CE1 4.48Å; P257-F555 HydrophobicContact CG-CE2 4.43Å; P257-F555 HydrophobicContact CG-CZ 4.09Å
258	S	98.4	Very high	98.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.3	-38.7	175.2	61.6	0	0	0	0	113.5	R250 E255 T256 V261 F262 L433	R250-S258 WeakPolarHBondContact CD-OG 3.34Å; R250-S258 WeakPolarHBondContact CG-OG 3.16Å; R250-S258 PolarHBondContact N-OG 2.85Å; E255-S258 WeakPolarHBondContact O-CB 3.43Å; E255-S258 PolarHBondContact O-N 2.92Å; E255-S258 VanDerWaalsContact O-N 3.09Å; E255-S258 PolarHBondContact O-OG 2.86Å; T256-S258 PolarHBondContact O-N 3.19Å; S258-V261 PolarHBondContact O-N 2.7Å; S258-F262 WeakPolarHBondContact O-CB 3.46Å; S258-F262 PolarHBondContact O-N 3.33Å; S258-L433 WeakPolarHBondContact CB-O 3.27Å
259	S	98.8	Very high	98.6	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.014	3%	0.028	C	C	.	.	H	α-helix	trans	-66.1	-39.8	176.8	-66.4	0	0	0	0	112.1	F159 R250 T256 P257 F262 N263	F159-S259 VanDerWaalsContact CD1-CB 3.49Å; F159-S259 WeakPolarHBondContact CD1-OG 3.26Å; R250-S259 WeakPolarHBondContact CD-OG 3.42Å; R250-S259 WeakPolarHBondContact CG-OG 3.36Å; R250-S259 PolarHBondContact NH1-OG 3.18Å; T256-S259 PolarHBondContact O-N 3.11Å; P257-S259 VanDerWaalsContact C-N 3.35Å; P257-S259 PolarHBondContact O-N 3.23Å; S259-F262 WeakPolarHBondContact O-CB 3.49Å; S259-F262 PolarHBondContact O-N 3.28Å; S259-N263 WeakPolarHBondContact O-CB 3.5Å; S259-N263 PolarHBondContact O-N 3.16Å; S259-N263 PolarHBondContact O-OD1 3.42Å; S259-N263 VanDerWaalsContact O-OD1 3.1Å
260	F	98.8	Very high	98.6	Very high	16 Å²	16	5.3 Å²	5.3	7%	0.07	3%	0.028	C	C	.	.	H	α-helix	trans	-72	-32	179	-55.7	-63.4	0	0	0	112.4	F159 T256 P257 G264 V552 F555 E556	F159-F260 HydrophobicContact CB-CE1 4.36Å; F159-F260 HydrophobicContact CB-CZ 3.92Å; F159-F260 HydrophobicContact CD2-CE1 4.08Å; F159-F260 HydrophobicContact CD2-CZ 4.45Å; T256-F260 WeakPolarHBondContact O-CD2 3.45Å; P257-F260 PolarHBondContact O-N 3.14Å; F260-G264 PolarHBondContact O-N 3.39Å; F260-G264 VanDerWaalsContact O-N 3.15Å; F260-V552 HydrophobicContact CB-CG1 4.34Å; F260-V552 HydrophobicContact CD1-CB 4.24Å; F260-V552 HydrophobicContact CD1-CG1 3.51Å; F260-V552 HydrophobicContact CD1-CG2 3.89Å; F260-V552 HydrophobicContact CD2-CG2 4.39Å; F260-V552 HydrophobicContact CE1-CG1 4.06Å; F260-V552 HydrophobicContact CE1-CG2 3.83Å; F260-V552 HydrophobicContact CE2-CG2 4.35Å; F260-V552 HydrophobicContact CG-CB 4.5Å; F260-V552 HydrophobicContact CG-CG1 4.06Å; F260-V552 HydrophobicContact CG-CG2 4.17Å; F260-V552 HydrophobicContact CZ-CG2 4.07Å; F260-F555 HydrophobicContact CB-CB 3.64Å; F260-F555 HydrophobicContact CB-CD2 4.2Å; F260-F555 HydrophobicContact CB-CG 4.3Å; F260-F555 HydrophobicContact CD2-CD2 4.36Å; F260-E556 WeakPolarHBondContact O-CA 3.34Å; F260-E556 WeakPolarHBondContact O-CG 3.27Å
261	V	98.9	Very high	98.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.2	-42.3	168.1	176.1	0	0	0	0	111.3	P257 S258 F265 L433 L515 C517 F555 G559	P257-V261 WeakPolarHBondContact O-CG2 3.18Å; P257-V261 PolarHBondContact O-N 3.17Å; P257-V261 VanDerWaalsContact O-N 3.11Å; S258-V261 PolarHBondContact O-N 2.7Å; V261-F265 PolarHBondContact O-N 3.31Å; V261-L433 HydrophobicContact CB-CD1 4.11Å; V261-L433 HydrophobicContact CG1-CD1 3.84Å; V261-L433 HydrophobicContact CG1-CD2 3.91Å; V261-L433 HydrophobicContact CG1-CG 4.49Å; V261-L515 HydrophobicContact CG1-CD1 4.21Å; V261-C517 VanDerWaalsContact CG2-SG 3.53Å; V261-F555 HydrophobicContact CG2-CB 3.98Å; V261-F555 HydrophobicContact CG2-CD1 4.45Å; V261-G559 VanDerWaalsContact O-CA 3.31Å; V261-G559 WeakPolarHBondContact O-CA 3.39Å
262	F	98.9	Very high	98.3	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-50.1	176.8	-174.4	-86.6	0	0	0	111.4	L247 S249 S258 S259 G264 F265 L266 L288 P290 L433	L247-F262 HydrophobicContact CD2-CD2 3.79Å; L247-F262 HydrophobicContact CD2-CE2 4.11Å; L247-F262 HydrophobicContact CG-CD2 3.98Å; L247-F262 HydrophobicContact CG-CE2 4.19Å; S249-F262 WeakPolarHBondContact OG-CD2 3.28Å; S249-F262 WeakPolarHBondContact OG-CG 3.34Å; S258-F262 WeakPolarHBondContact O-CB 3.46Å; S258-F262 PolarHBondContact O-N 3.33Å; S259-F262 WeakPolarHBondContact O-CB 3.49Å; S259-F262 PolarHBondContact O-N 3.28Å; F262-G264 PolarHBondContact O-N 3.38Å; F262-F265 WeakPolarHBondContact O-CB 3.44Å; F262-F265 PolarHBondContact O-N 3.35Å; F262-F265 VanDerWaalsContact O-N 3.15Å; F262-L266 HydrophobicContact CD1-CD2 4.46Å; F262-L266 HydrophobicContact CE1-CD2 3.95Å; F262-L266 WeakPolarHBondContact O-CB 3.38Å; F262-L266 PolarHBondContact O-N 2.96Å; F262-L288 HydrophobicContact CE2-CB 3.84Å; F262-L288 HydrophobicContact CZ-CB 3.6Å; F262-P290 HydrophobicContact CD1-CB 4.25Å; F262-P290 HydrophobicContact CE1-CB 3.65Å; F262-P290 HydrophobicContact CE1-CG 3.64Å; F262-P290 VanDerWaalsContact CZ-CA 3.47Å; F262-P290 HydrophobicContact CZ-CB 3.84Å; F262-P290 HydrophobicContact CZ-CG 3.61Å; F262-L433 HydrophobicContact CB-CD1 3.85Å; F262-L433 HydrophobicContact CD2-CD1 4.36Å
263	N	98.8	Very high	98.1	Very high	17 Å²	17	18.2 Å²	18.2	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-47.2	179.4	-65.6	3.7	0	0	0	111.2	S259 F265 L266 D267	S259-N263 WeakPolarHBondContact O-CB 3.5Å; S259-N263 PolarHBondContact O-N 3.16Å; S259-N263 PolarHBondContact O-OD1 3.42Å; S259-N263 VanDerWaalsContact O-OD1 3.1Å; N263-F265 PolarHBondContact O-N 3.4Å; N263-L266 WeakPolarHBondContact O-CB 3.38Å; N263-L266 PolarHBondContact O-N 3.04Å; N263-L266 VanDerWaalsContact O-N 3.08Å; N263-D267 VanDerWaalsContact O-CB 3.32Å; N263-D267 WeakPolarHBondContact O-CB 3.44Å; N263-D267 VanDerWaalsContact O-CG 3.27Å; N263-D267 PolarHBondContact O-N 3.32Å
264	G	98.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.9	-17.8	178.8	0	0	0	0	0	116	F260 F262 F268 R560	F260-G264 PolarHBondContact O-N 3.39Å; F260-G264 VanDerWaalsContact O-N 3.15Å; F262-G264 PolarHBondContact O-N 3.38Å; G264-F268 WeakPolarHBondContact O-CB 3.34Å; G264-R560 PolarHBondContact O-N 3.14Å
265	F	98.9	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-77.6	-49.3	166.5	-177.8	-80.1	0	0	0	110.4	F245 L247 V261 F262 N263 F268 I269 F286 L288 G559 M562 A563	F245-F265 HydrophobicContact CD1-CE2 4.4Å; F245-F265 AromaticContact CD1-CZ 3.72Å; F245-F265 HydrophobicContact CD1-CZ 3.72Å; F245-F265 HydrophobicContact CE1-CE1 4.48Å; F245-F265 AromaticContact CE1-CE2 3.74Å; F245-F265 HydrophobicContact CE1-CE2 3.74Å; F245-F265 AromaticContact CE1-CZ 3.51Å; F245-F265 HydrophobicContact CE1-CZ 3.51Å; F245-F265 HydrophobicContact CE2-CE2 4.4Å; F245-F265 HydrophobicContact CE2-CZ 4.41Å; F245-F265 HydrophobicContact CG-CZ 4.29Å; F245-F265 AromaticContact CZ-CE2 3.76Å; F245-F265 HydrophobicContact CZ-CE2 3.76Å; F245-F265 AromaticContact CZ-CZ 3.89Å; F245-F265 HydrophobicContact CZ-CZ 3.89Å; L247-F265 HydrophobicContact CD2-CB 4.2Å; L247-F265 HydrophobicContact CD2-CD1 3.64Å; L247-F265 HydrophobicContact CD2-CD2 4.28Å; L247-F265 HydrophobicContact CD2-CE1 4Å; L247-F265 HydrophobicContact CD2-CG 3.8Å; L247-F265 HydrophobicContact CD2-CZ 4.46Å; V261-F265 PolarHBondContact O-N 3.31Å; F262-F265 WeakPolarHBondContact O-CB 3.44Å; F262-F265 PolarHBondContact O-N 3.35Å; F262-F265 VanDerWaalsContact O-N 3.15Å; N263-F265 PolarHBondContact O-N 3.4Å; F265-F268 WeakPolarHBondContact O-CB 3.39Å; F265-F268 PolarHBondContact O-N 2.73Å; F265-F268 VanDerWaalsContact O-N 3.13Å; F265-I269 HydrophobicContact CD1-CD1 4.44Å; F265-I269 HydrophobicContact CD1-CG2 4.41Å; F265-I269 HydrophobicContact CE1-CD1 4.15Å; F265-I269 HydrophobicContact CE1-CG2 4.13Å; F265-I269 PolarHBondContact O-N 3.07Å; F265-F286 AromaticContact CE1-CD1 3.76Å; F265-F286 HydrophobicContact CE1-CD1 3.76Å; F265-F286 HydrophobicContact CE1-CE1 4.03Å; F265-F286 AromaticContact CZ-CD1 3.83Å; F265-F286 HydrophobicContact CZ-CD1 3.83Å; F265-F286 AromaticContact CZ-CE1 3.71Å; F265-F286 HydrophobicContact CZ-CE1 3.71Å; F265-L288 HydrophobicContact CE1-CD2 4.01Å; F265-G559 WeakPolarHBondContact CD2-O 3.46Å; F265-M562 HydrophobicContact CB-CE 4.41Å; F265-M562 HydrophobicContact CD2-CB 4.46Å; F265-M562 HydrophobicContact CD2-CE 3.4Å; F265-M562 HydrophobicContact CE2-CE 3.87Å; F265-M562 HydrophobicContact CG-CE 4.12Å; F265-A563 HydrophobicContact CD2-CB 3.67Å; F265-A563 HydrophobicContact CE2-CB 3.66Å; F265-A563 HydrophobicContact CG-CB 4.4Å; F265-A563 HydrophobicContact CZ-CB 4.37Å
266	L	98.9	Very high	97.9	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-58.9	-51.8	179.1	-179.1	57.7	0	0	0	112.3	L171 L208 I210 F262 N263 F268 I269 L270 L288	L171-L266 HydrophobicContact CD1-CD2 3.84Å; L171-L266 HydrophobicContact CD1-CG 4.42Å; L208-L266 HydrophobicContact CD1-CD1 4.19Å; L208-L266 HydrophobicContact CD1-CD2 4.08Å; I210-L266 HydrophobicContact CD1-CD1 3.37Å; F262-L266 HydrophobicContact CD1-CD2 4.46Å; F262-L266 HydrophobicContact CE1-CD2 3.95Å; F262-L266 WeakPolarHBondContact O-CB 3.38Å; F262-L266 PolarHBondContact O-N 2.96Å; N263-L266 WeakPolarHBondContact O-CB 3.38Å; N263-L266 PolarHBondContact O-N 3.04Å; N263-L266 VanDerWaalsContact O-N 3.08Å; L266-F268 PolarHBondContact O-N 3.14Å; L266-F268 VanDerWaalsContact O-N 3.1Å; L266-I269 WeakPolarHBondContact O-CG1 3.38Å; L266-I269 PolarHBondContact O-N 3.17Å; L266-L270 HydrophobicContact CD1-CD1 3.55Å; L266-L270 HydrophobicContact CD1-CG 4.03Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.18Å; L266-L270 PolarHBondContact O-N 2.99Å; L266-L288 HydrophobicContact CD1-CD1 3.95Å
267	D	98.6	Very high	97.9	Very high	59 Å²	59	20.9 Å²	20.9	32%	0.316	11%	0.109	S	C	.	.	H	α-helix	trans	-63.8	-12.6	175.7	-68.1	-24.2	0	0	0	113.9	N263 R271	N263-D267 VanDerWaalsContact O-CB 3.32Å; N263-D267 WeakPolarHBondContact O-CB 3.44Å; N263-D267 VanDerWaalsContact O-CG 3.27Å; N263-D267 PolarHBondContact O-N 3.32Å; D267-R271 WeakPolarHBondContact O-CG 3.46Å; D267-R271 PolarHBondContact O-NE 2.95Å
268	F	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-89.8	-51.3	171	-176.3	-110.2	0	0	0	111.4	G264 F265 L266 L270 R271 D274 R276 A277 L280 R560 A563 I564	G264-F268 WeakPolarHBondContact O-CB 3.34Å; F265-F268 WeakPolarHBondContact O-CB 3.39Å; F265-F268 PolarHBondContact O-N 2.73Å; F265-F268 VanDerWaalsContact O-N 3.13Å; L266-F268 PolarHBondContact O-N 3.14Å; L266-F268 VanDerWaalsContact O-N 3.1Å; F268-L270 PolarHBondContact O-N 2.94Å; F268-R271 WeakPolarHBondContact O-CB 3.47Å; F268-R271 WeakPolarHBondContact O-CD 3.33Å; F268-R271 WeakPolarHBondContact O-CG 3.49Å; F268-R271 PolarHBondContact O-N 2.99Å; F268-D274 WeakPolarHBondContact CE2-OD2 3.33Å; F268-R276 HydrophobicContact CE1-CB 4.31Å; F268-R276 HydrophobicContact CZ-CB 3.75Å; F268-A277 WeakPolarHBondContact O-CB 3.48Å; F268-L280 HydrophobicContact CD1-CD1 4.09Å; F268-L280 HydrophobicContact CE1-CD1 3.72Å; F268-R560 HydrophobicContact CB-CB 4.47Å; F268-R560 HydrophobicContact CB-CG 3.99Å; F268-R560 HydrophobicContact CD1-CG 4.31Å; F268-R560 HydrophobicContact CD2-CG 3.52Å; F268-R560 HydrophobicContact CE2-CG 4.01Å; F268-R560 HydrophobicContact CG-CG 3.68Å; F268-A563 HydrophobicContact CD1-CB 3.62Å; F268-A563 HydrophobicContact CE1-CB 4.08Å; F268-I564 HydrophobicContact CD1-CG1 4.48Å; F268-I564 HydrophobicContact CE1-CD1 4.3Å; F268-I564 HydrophobicContact CE1-CG1 3.54Å; F268-I564 HydrophobicContact CE2-CD1 4.27Å; F268-I564 HydrophobicContact CE2-CG1 4.37Å; F268-I564 HydrophobicContact CZ-CD1 3.81Å; F268-I564 HydrophobicContact CZ-CG1 3.46Å; F268-I564 VanDerWaalsContact CZ-CG1 3.46Å
269	I	98.6	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68	-18.7	179.8	66.5	163.3	0	0	0	113.3	I210 F265 L266 R271 L280 R281 F286 L288 A563	I210-I269 HydrophobicContact CB-CD1 4.19Å; I210-I269 HydrophobicContact CD1-CD1 4.18Å; I210-I269 HydrophobicContact CG2-CD1 3.94Å; F265-I269 HydrophobicContact CD1-CD1 4.44Å; F265-I269 HydrophobicContact CD1-CG2 4.41Å; F265-I269 HydrophobicContact CE1-CD1 4.15Å; F265-I269 HydrophobicContact CE1-CG2 4.13Å; F265-I269 PolarHBondContact O-N 3.07Å; L266-I269 WeakPolarHBondContact O-CG1 3.38Å; L266-I269 PolarHBondContact O-N 3.17Å; I269-R271 VanDerWaalsContact C-N 3.35Å; I269-L280 HydrophobicContact CG2-CD1 4.14Å; I269-R281 WeakPolarHBondContact O-CD 3.37Å; I269-R281 PolarHBondContact O-NH1 2.83Å; I269-F286 HydrophobicContact CB-CE2 4.48Å; I269-F286 HydrophobicContact CD1-CB 3.91Å; I269-F286 HydrophobicContact CD1-CD1 4.12Å; I269-F286 HydrophobicContact CD1-CD2 3.74Å; I269-F286 HydrophobicContact CD1-CE2 4.38Å; I269-F286 HydrophobicContact CD1-CG 3.62Å; I269-F286 HydrophobicContact CG2-CE1 4.32Å; I269-F286 HydrophobicContact CG2-CE2 4.22Å; I269-F286 HydrophobicContact CG2-CZ 4.08Å; I269-L288 HydrophobicContact CD1-CD1 3.9Å; I269-A563 HydrophobicContact CG2-CB 4.44Å
270	L	98.2	Very high	97.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	16	174.5	-70	178.2	0	0	0	114.6	L171 R174 F175 I189 Y191 I210 L266 F268	L171-L270 HydrophobicContact CD1-CD1 4.16Å; L171-L270 HydrophobicContact CD2-CD1 3.76Å; R174-L270 PolarHBondContact NH2-O 2.89Å; F175-L270 HydrophobicContact CE2-CD1 4.14Å; F175-L270 HydrophobicContact CE2-CD2 3.89Å; F175-L270 HydrophobicContact CE2-CG 4.46Å; F175-L270 HydrophobicContact CZ-CD2 3.92Å; I189-L270 HydrophobicContact CG2-CD2 3.79Å; Y191-L270 HydrophobicContact CD2-CD2 4.44Å; I210-L270 HydrophobicContact CD1-CD1 4.36Å; I210-L270 HydrophobicContact CD1-CD2 3.97Å; I210-L270 HydrophobicContact CD1-CG 4.25Å; I210-L270 HydrophobicContact CG2-CD2 3.92Å; L266-L270 HydrophobicContact CD1-CD1 3.55Å; L266-L270 HydrophobicContact CD1-CG 4.03Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.18Å; L266-L270 PolarHBondContact O-N 2.99Å; F268-L270 PolarHBondContact O-N 2.94Å
271	R	97.1	Very high	97.9	Very high	82 Å²	82	23.7 Å²	23.7	31%	0.309	12%	0.123	S	C	.	.			trans	-84.1	119.6	173.3	-67.6	170.1	-178.4	-131.4	-16.5	110.5	D267 F268 I269 D274 A277 R281	D267-R271 WeakPolarHBondContact O-CG 3.46Å; D267-R271 PolarHBondContact O-NE 2.95Å; F268-R271 WeakPolarHBondContact O-CB 3.47Å; F268-R271 WeakPolarHBondContact O-CD 3.33Å; F268-R271 WeakPolarHBondContact O-CG 3.49Å; F268-R271 PolarHBondContact O-N 2.99Å; I269-R271 VanDerWaalsContact C-N 3.35Å; R271-D274 HydrophobicContact CB-CB 3.76Å; R271-D274 HydrophobicContact CG-CB 4.48Å; R271-A277 HydrophobicContact CB-CB 4.03Å; R271-R281 PolarHBondContact O-NH1 2.78Å; R271-R281 PolarHBondContact O-NH2 3.37Å
272	P	94.8	Very high	97.8	Very high	58 Å²	58	28.4 Å²	28.4	38%	0.377	14%	0.141	S	C	.	.	S	Bend	trans	-63.9	-46.7	175.7	21	-26.3	0	0	0	111.2	Q278	P272-Q278 WeakPolarHBondContact O-CG 3.05Å; P272-Q278 PolarHBondContact O-NE2 3.32Å
273	D	93	Very high	97.8	Very high	134 Å²	134	31.3 Å²	31.3	72%	0.717	16%	0.156	S	C	*	.	S	Bend	trans	-99.2	3.6	-165	-33.5	-65.5	0	0	0	115.5	P275	D273-P275 WeakPolarHBondContact O-CD 3.47Å
274	D	96.6	Very high	97.8	Very high	16 Å²	16	30.9 Å²	30.9	9%	0.086	15%	0.153	C	C	.	.			trans	-87.5	112.3	173.1	-163.8	-49	0	0	0	108.4	F268 R271 R276 A277 Q278	F268-D274 WeakPolarHBondContact CE2-OD2 3.33Å; R271-D274 HydrophobicContact CB-CB 3.76Å; R271-D274 HydrophobicContact CG-CB 4.48Å; D274-R276 PolarHBondContact O-N 3.33Å; D274-R276 VanDerWaalsContact O-N 3.13Å; D274-R276 WeakPolarHBondContact OD1-CB 3.35Å; D274-R276 IonicContact OD1-CZ 3.66Å; D274-R276 PolarHBondContact OD1-N 2.66Å; D274-R276 IonicContact OD1-NE 2.86Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD1-NH2 3.05Å; D274-R276 PolarHBondContact OD1-NH2 3.24Å; D274-R276 IonicContact OD2-CZ 3.58Å; D274-R276 IonicContact OD2-NE 3.38Å; D274-R276 IonicContact OD2-NH2 3.85Å; D274-R276 PolarHBondContact OD2-NH2 3.44Å; D274-A277 HydrophobicContact CB-CB 4.01Å; D274-A277 WeakPolarHBondContact O-CA 3.38Å; D274-A277 WeakPolarHBondContact O-CB 3.37Å; D274-A277 PolarHBondContact O-N 3.44Å; D274-Q278 PolarHBondContact O-N 2.75Å
275	P	97.1	Very high	97.7	Very high	32 Å²	32	31.1 Å²	31.1	21%	0.208	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-24.9	-172.7	25.7	-34.7	0	0	0	112.2	D273 Q278 T279 P574 W575	D273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-Q278 PolarHBondContact O-N 2.97Å; P275-T279 PolarHBondContact O-N 3.49Å; P275-T279 PolarHBondContact O-OG1 2.88Å; P275-T279 VanDerWaalsContact O-OG1 3.11Å; P275-P574 HydrophobicContact CB-CB 4.29Å; P275-P574 HydrophobicContact CB-CG 4.27Å; P275-P574 HydrophobicContact CG-CB 4.4Å; P275-W575 VanDerWaalsContact CD-CH2 3.45Å; P275-W575 HydrophobicContact CG-CD2 4.26Å; P275-W575 HydrophobicContact CG-CE3 4.39Å; P275-W575 HydrophobicContact CG-CH2 3.65Å; P275-W575 HydrophobicContact CG-CZ2 3.47Å; P275-W575 VanDerWaalsContact CG-CZ2 3.47Å; P275-W575 HydrophobicContact CG-CZ3 4.12Å
276	R	97.9	Very high	97.7	Very high	15 Å²	15	31.1 Å²	31.1	6%	0.057	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-42	171.8	-60.1	169.9	-65.1	-163.6	-3	111.1	F268 D274 T279 L280 L567 W575	F268-R276 HydrophobicContact CE1-CB 4.31Å; F268-R276 HydrophobicContact CZ-CB 3.75Å; D274-R276 PolarHBondContact O-N 3.33Å; D274-R276 VanDerWaalsContact O-N 3.13Å; D274-R276 WeakPolarHBondContact OD1-CB 3.35Å; D274-R276 IonicContact OD1-CZ 3.66Å; D274-R276 PolarHBondContact OD1-N 2.66Å; D274-R276 IonicContact OD1-NE 2.86Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD1-NH2 3.05Å; D274-R276 PolarHBondContact OD1-NH2 3.24Å; D274-R276 IonicContact OD2-CZ 3.58Å; D274-R276 IonicContact OD2-NE 3.38Å; D274-R276 IonicContact OD2-NH2 3.85Å; D274-R276 PolarHBondContact OD2-NH2 3.44Å; R276-T279 PolarHBondContact O-N 3.36Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 WeakPolarHBondContact O-CG 3.22Å; R276-L280 PolarHBondContact O-N 2.74Å; R276-L567 HydrophobicContact CB-CD1 3.59Å; R276-L567 HydrophobicContact CG-CD1 4.07Å; R276-L567 WeakPolarHBondContact O-CD1 3.42Å; R276-W575 HydrophobicContact CG-CE3 4.21Å; R276-W575 VanDerWaalsContact CZ-CE3 3.5Å
277	A	98.4	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.4	-37.7	176.6	0	0	0	0	0	111.4	F268 R271 D274 R281	F268-A277 WeakPolarHBondContact O-CB 3.48Å; R271-A277 HydrophobicContact CB-CB 4.03Å; D274-A277 HydrophobicContact CB-CB 4.01Å; D274-A277 WeakPolarHBondContact O-CA 3.38Å; D274-A277 WeakPolarHBondContact O-CB 3.37Å; D274-A277 PolarHBondContact O-N 3.44Å; A277-R281 WeakPolarHBondContact O-CG 3.42Å; A277-R281 PolarHBondContact O-N 3.49Å; A277-R281 VanDerWaalsContact O-N 3.07Å; A277-R281 PolarHBondContact O-NH1 3.03Å
278	Q	98.1	Very high	97.8	Very high	53 Å²	53	28.2 Å²	28.2	25%	0.248	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-58.2	170.1	-65	172.8	-7.7	0	0	110.9	P272 D274 P275 L280 R281 R282	P272-Q278 WeakPolarHBondContact O-CG 3.05Å; P272-Q278 PolarHBondContact O-NE2 3.32Å; D274-Q278 PolarHBondContact O-N 2.75Å; P275-Q278 PolarHBondContact O-N 2.97Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 3.06Å; Q278-R281 CarbonylContact O-C 3.51Å; Q278-R281 WeakPolarHBondContact O-CA 3.34Å; Q278-R281 WeakPolarHBondContact O-CB 3.49Å; Q278-R281 PolarHBondContact O-N 3.47Å; Q278-R282 WeakPolarHBondContact O-CG 3.43Å; Q278-R282 PolarHBondContact O-N 2.78Å
279	T	98.4	Very high	97.8	Very high	24 Å²	24	28.2 Å²	28.2	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-38.6	179.6	-57.6	0	0	0	0	112.7	P275 R276 R281 R282 L283 L567	P275-T279 PolarHBondContact O-N 3.49Å; P275-T279 PolarHBondContact O-OG1 2.88Å; P275-T279 VanDerWaalsContact O-OG1 3.11Å; R276-T279 PolarHBondContact O-N 3.36Å; T279-R281 PolarHBondContact O-N 3.19Å; T279-R282 WeakPolarHBondContact O-CB 3.24Å; T279-R282 PolarHBondContact O-N 3.46Å; T279-R282 VanDerWaalsContact O-N 3.16Å; T279-L283 HydrophobicContact CG2-CD1 3.83Å; T279-L283 HydrophobicContact CG2-CG 4.4Å; T279-L283 WeakPolarHBondContact O-CG 3.47Å; T279-L283 PolarHBondContact O-N 2.92Å; T279-L567 HydrophobicContact CG2-CD2 3.69Å
280	L	98.6	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-46.6	173	-84.1	172.2	0	0	0	112.3	F268 I269 R276 Q278 R282 L283 F284 F286 A563 A566 L567	F268-L280 HydrophobicContact CD1-CD1 4.09Å; F268-L280 HydrophobicContact CE1-CD1 3.72Å; I269-L280 HydrophobicContact CG2-CD1 4.14Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 WeakPolarHBondContact O-CG 3.22Å; R276-L280 PolarHBondContact O-N 2.74Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 3.06Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 3Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-F284 HydrophobicContact CD2-CD2 3.95Å; L280-F284 HydrophobicContact CD2-CE2 3.98Å; L280-F284 PolarHBondContact O-N 2.65Å; L280-F286 HydrophobicContact CB-CE2 4.21Å; L280-F286 HydrophobicContact CB-CZ 3.91Å; L280-F286 HydrophobicContact CD2-CZ 4.16Å; L280-F286 HydrophobicContact CG-CZ 4.5Å; L280-A563 HydrophobicContact CD1-CB 3.85Å; L280-A566 HydrophobicContact CD2-CB 4.2Å; L280-L567 HydrophobicContact CD1-CD1 4.49Å; L280-L567 HydrophobicContact CD1-CG 4.49Å; L280-L567 HydrophobicContact CD2-CD2 3.76Å; L280-L567 HydrophobicContact CD2-CG 3.76Å; L280-L567 HydrophobicContact CG-CD1 4.03Å; L280-L567 HydrophobicContact CG-CD2 3.75Å; L280-L567 HydrophobicContact CG-CG 3.73Å
281	R	98.5	Very high	97.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-25.8	176.4	-70.8	-171.3	-53.9	-94.5	7.2	113.1	T211 S212 K242 I269 R271 A277 Q278 T279	T211-R281 PolarHBondContact OG1-O 3.46Å; S212-R281 PolarHBondContact N-O 2.81Å; S212-R281 VanDerWaalsContact N-O 3.07Å; S212-R281 PolarHBondContact OG-O 3.3Å; K242-R281 PolarHBondContact NZ-O 2.82Å; I269-R281 WeakPolarHBondContact O-CD 3.37Å; I269-R281 PolarHBondContact O-NH1 2.83Å; R271-R281 PolarHBondContact O-NH1 2.78Å; R271-R281 PolarHBondContact O-NH2 3.37Å; A277-R281 WeakPolarHBondContact O-CG 3.42Å; A277-R281 PolarHBondContact O-N 3.49Å; A277-R281 VanDerWaalsContact O-N 3.07Å; A277-R281 PolarHBondContact O-NH1 3.03Å; Q278-R281 CarbonylContact O-C 3.51Å; Q278-R281 WeakPolarHBondContact O-CA 3.34Å; Q278-R281 WeakPolarHBondContact O-CB 3.49Å; Q278-R281 PolarHBondContact O-N 3.47Å; T279-R281 PolarHBondContact O-N 3.19Å
282	R	97.8	Very high	97.9	Very high	100 Å²	100	25 Å²	25	38%	0.377	13%	0.129	S	C	.	.	H	α-helix	trans	-71	-36.9	172	-64.3	-177.7	-173.8	178.2	-3.2	112.6	D187 H214 K242 Q278 T279 L280	D187-R282 IonicContact OD1-CZ 3.67Å; D187-R282 IonicContact OD1-NE 3.89Å; D187-R282 PolarHBondContact OD1-NE 3.49Å; D187-R282 IonicContact OD1-NH2 2.72Å; D187-R282 PolarHBondContact OD1-NH2 3.02Å; D187-R282 IonicContact OD2-CZ 3.74Å; D187-R282 IonicContact OD2-NE 2.88Å; D187-R282 IonicContact OD2-NH2 3.52Å; D187-R282 PolarHBondContact OD2-NH2 3.07Å; H214-R282 PolarHBondContact CE1-NE 3.2Å; H214-R282 WeakPolarHBondContact NE2-CD 3.42Å; H214-R282 PolarHBondContact NE2-NE 3.15Å; K242-R282 WeakPolarHBondContact CD-O 3.27Å; K242-R282 WeakPolarHBondContact CE-O 3.35Å; K242-R282 WeakPolarHBondContact CG-O 3.07Å; Q278-R282 WeakPolarHBondContact O-CG 3.43Å; Q278-R282 PolarHBondContact O-N 2.78Å; T279-R282 WeakPolarHBondContact O-CB 3.24Å; T279-R282 PolarHBondContact O-N 3.46Å; T279-R282 VanDerWaalsContact O-N 3.16Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 3Å
283	L	97.3	Very high	98.1	Very high	62 Å²	62	22.3 Å²	22.3	33%	0.325	11%	0.111	S	C	.	.	H	α-helix	trans	-89.1	-32.4	-174.4	-66.6	166	0	0	0	114.3	K242 R243 T279 L280 L567 C572	K242-L283 WeakPolarHBondContact CA-O 3.5Å; K242-L283 WeakPolarHBondContact CB-O 3.41Å; R243-L283 PolarHBondContact N-O 2.85Å; T279-L283 HydrophobicContact CG2-CD1 3.83Å; T279-L283 HydrophobicContact CG2-CG 4.4Å; T279-L283 WeakPolarHBondContact O-CG 3.47Å; T279-L283 PolarHBondContact O-N 2.92Å; L280-L283 PolarHBondContact O-N 3.44Å; L283-L567 HydrophobicContact CD1-CD2 3.82Å; L283-C572 WeakPolarHBondContact CD1-SG 3.5Å
284	F	98.5	Very high	98.4	Very high	8 Å²	8	16 Å²	16	4%	0.035	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.6	-170	-57.9	-74.7	0	0	0	112.9	T211 R243 F245 L280 F286 A428 Y429 A566	T211-F284 PolarHBondContact OG1-O 3.3Å; R243-F284 VanDerWaalsContact O-CA 3.27Å; R243-F284 WeakPolarHBondContact O-CA 3.34Å; F245-F284 HydrophobicContact CB-CB 4.29Å; F245-F284 HydrophobicContact CB-CD1 4.31Å; F245-F284 HydrophobicContact CB-CG 4.35Å; L280-F284 HydrophobicContact CD2-CD2 3.95Å; L280-F284 HydrophobicContact CD2-CE2 3.98Å; L280-F284 PolarHBondContact O-N 2.65Å; F284-F286 HydrophobicContact CB-CD2 4.49Å; F284-F286 HydrophobicContact CB-CE1 4.12Å; F284-F286 HydrophobicContact CB-CE2 3.95Å; F284-F286 HydrophobicContact CB-CZ 3.72Å; F284-F286 HydrophobicContact CD2-CZ 4.08Å; F284-F286 HydrophobicContact CG-CZ 4.27Å; F284-A428 HydrophobicContact CD1-CB 4.36Å; F284-A428 HydrophobicContact CE1-CB 3.83Å; F284-Y429 HydrophobicContact CE1-CD2 4.17Å; F284-Y429 HydrophobicContact CE1-CE2 4.03Å; F284-Y429 HydrophobicContact CZ-CD2 4.47Å; F284-Y429 AromaticContact CZ-CE2 3.97Å; F284-Y429 HydrophobicContact CZ-CE2 3.97Å; F284-A566 HydrophobicContact CE2-CB 4.19Å; F284-A566 HydrophobicContact CZ-CB 4.4Å
285	V	98.7	Very high	98.5	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.03	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.3	154	-179.2	0	0	0	0	107.3	T209 T211 F239 K242 R243 I244 F245	T209-V285 HydrophobicContact CG2-CG1 3.78Å; T211-V285 HydrophobicContact CG2-CG2 4.27Å; F239-V285 HydrophobicContact CB-CG2 3.75Å; F239-V285 HydrophobicContact CD2-CG2 3.89Å; F239-V285 HydrophobicContact CG-CG2 4Å; K242-V285 HydrophobicContact CB-CG2 4.12Å; K242-V285 HydrophobicContact CD-CG2 4.16Å; R243-V285 PolarHBondContact O-N 3.41Å; I244-V285 WeakPolarHBondContact CA-O 3.32Å; I244-V285 HydrophobicContact CD1-CB 3.7Å; I244-V285 HydrophobicContact CD1-CG1 4.16Å; I244-V285 HydrophobicContact CD1-CG2 4.48Å; F245-V285 PolarHBondContact N-O 3.09Å
286	F	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.1	177.6	-65.9	-76	0	0	0	109	T209 I210 F245 F265 I269 L280 F284 L288	T209-F286 WeakPolarHBondContact CA-O 3.41Å; I210-F286 HydrophobicContact CB-CB 4.18Å; I210-F286 PolarHBondContact N-O 2.88Å; I210-F286 WeakPolarHBondContact O-CB 3.36Å; I210-F286 WeakPolarHBondContact O-CD2 3.3Å; I210-F286 PolarHBondContact O-N 2.89Å; F245-F286 HydrophobicContact CB-CD1 3.64Å; F245-F286 HydrophobicContact CB-CE1 3.69Å; F245-F286 HydrophobicContact CD1-CD1 4.18Å; F245-F286 HydrophobicContact CD1-CE1 4.34Å; F245-F286 HydrophobicContact CD2-CE1 4.24Å; F245-F286 AromaticContact CG-CD1 3.98Å; F245-F286 HydrophobicContact CG-CD1 3.98Å; F245-F286 AromaticContact CG-CE1 3.83Å; F245-F286 HydrophobicContact CG-CE1 3.83Å; F245-F286 WeakPolarHBondContact O-CA 3.34Å; F265-F286 AromaticContact CE1-CD1 3.76Å; F265-F286 HydrophobicContact CE1-CD1 3.76Å; F265-F286 HydrophobicContact CE1-CE1 4.03Å; F265-F286 AromaticContact CZ-CD1 3.83Å; F265-F286 HydrophobicContact CZ-CD1 3.83Å; F265-F286 AromaticContact CZ-CE1 3.71Å; F265-F286 HydrophobicContact CZ-CE1 3.71Å; I269-F286 HydrophobicContact CB-CE2 4.48Å; I269-F286 HydrophobicContact CD1-CB 3.91Å; I269-F286 HydrophobicContact CD1-CD1 4.12Å; I269-F286 HydrophobicContact CD1-CD2 3.74Å; I269-F286 HydrophobicContact CD1-CE2 4.38Å; I269-F286 HydrophobicContact CD1-CG 3.62Å; I269-F286 HydrophobicContact CG2-CE1 4.32Å; I269-F286 HydrophobicContact CG2-CE2 4.22Å; I269-F286 HydrophobicContact CG2-CZ 4.08Å; L280-F286 HydrophobicContact CB-CE2 4.21Å; L280-F286 HydrophobicContact CB-CZ 3.91Å; L280-F286 HydrophobicContact CD2-CZ 4.16Å; L280-F286 HydrophobicContact CG-CZ 4.5Å; F284-F286 HydrophobicContact CB-CD2 4.49Å; F284-F286 HydrophobicContact CB-CE1 4.12Å; F284-F286 HydrophobicContact CB-CE2 3.95Å; F284-F286 HydrophobicContact CB-CZ 3.72Å; F284-F286 HydrophobicContact CD2-CZ 4.08Å; F284-F286 HydrophobicContact CG-CZ 4.27Å; F286-L288 HydrophobicContact CB-CD1 4.25Å; F286-L288 HydrophobicContact CB-CD2 3.95Å; F286-L288 HydrophobicContact CB-CG 4.04Å; F286-L288 HydrophobicContact CD1-CD2 4.5Å
287	K	98.9	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.7	174.3	-69.7	-72.7	176.7	170.7	0	107.7	L207 L208 T209 E221 I244 F245 F246 L247 H336	L207-K287 HydrophobicContact CD1-CB 4.27Å; L207-K287 HydrophobicContact CD1-CD 4.36Å; L207-K287 HydrophobicContact CD2-CD 4.35Å; L208-K287 WeakPolarHBondContact O-CA 3.36Å; T209-K287 HydrophobicContact CG2-CD 4.42Å; T209-K287 WeakPolarHBondContact OG1-CE 3.38Å; T209-K287 PolarHBondContact OG1-NZ 2.98Å; E221-K287 WeakPolarHBondContact OE1-CE 3.42Å; E221-K287 IonicContact OE1-NZ 3.71Å; E221-K287 PolarHBondContact OE1-NZ 2.93Å; E221-K287 IonicContact OE2-NZ 3.04Å; E221-K287 PolarHBondContact OE2-NZ 3.34Å; I244-K287 HydrophobicContact CD1-CG 4.44Å; I244-K287 HydrophobicContact CG2-CB 3.85Å; I244-K287 HydrophobicContact CG2-CG 3.66Å; F245-K287 PolarHBondContact O-N 3.38Å; F246-K287 WeakPolarHBondContact CA-O 3.49Å; F246-K287 HydrophobicContact CD2-CB 3.87Å; F246-K287 HydrophobicContact CE2-CB 4.32Å; L247-K287 PolarHBondContact N-O 3.45Å; K287-H336 VanDerWaalsContact CE-NE2 3.3Å; K287-H336 WeakPolarHBondContact CE-NE2 3.32Å
288	L	98.9	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.1	-164.6	-42.9	174.3	0	0	0	111.1	L208 I210 L247 F262 F265 L266 I269 F286	L208-L288 HydrophobicContact CB-CB 4.24Å; L208-L288 PolarHBondContact N-O 2.97Å; L208-L288 PolarHBondContact O-N 2.96Å; I210-L288 HydrophobicContact CD1-CD1 4Å; L247-L288 HydrophobicContact CB-CD2 3.52Å; L247-L288 HydrophobicContact CD2-CD2 4.15Å; L247-L288 HydrophobicContact CG-CD2 4.43Å; L247-L288 CarbonylContact O-C 3.51Å; L247-L288 WeakPolarHBondContact O-CA 3.39Å; F262-L288 HydrophobicContact CE2-CB 3.84Å; F262-L288 HydrophobicContact CZ-CB 3.6Å; F265-L288 HydrophobicContact CE1-CD2 4.01Å; L266-L288 HydrophobicContact CD1-CD1 3.95Å; I269-L288 HydrophobicContact CD1-CD1 3.9Å; F286-L288 HydrophobicContact CB-CD1 4.25Å; F286-L288 HydrophobicContact CB-CD2 3.95Å; F286-L288 HydrophobicContact CB-CG 4.04Å; F286-L288 HydrophobicContact CD1-CD2 4.5Å
289	I	98.9	Very high	98.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.2	174.7	-58.5	173.4	0	0	0	109.2	L196 V205 L207 F246 L247 S248 S249 M291 L292 A329	L196-I289 HydrophobicContact CD2-CD1 3.55Å; L196-I289 HydrophobicContact CD2-CG1 4.31Å; V205-I289 HydrophobicContact CG1-CG2 3.95Å; L207-I289 HydrophobicContact CD1-CG1 3.9Å; F246-I289 HydrophobicContact CE1-CD1 4.31Å; F246-I289 HydrophobicContact CZ-CD1 3.72Å; F246-I289 HydrophobicContact CZ-CG1 4.38Å; L247-I289 PolarHBondContact O-N 3.41Å; S248-I289 WeakPolarHBondContact CA-O 3.31Å; S249-I289 PolarHBondContact N-O 2.82Å; S249-I289 VanDerWaalsContact N-O 3.15Å; I289-M291 VanDerWaalsContact C-N 3.31Å; I289-M291 PolarHBondContact O-N 2.79Å; I289-L292 HydrophobicContact CB-CD2 4.44Å; I289-L292 HydrophobicContact CD1-CD2 4.07Å; I289-L292 HydrophobicContact CG2-CD2 3.79Å; I289-L292 HydrophobicContact CG2-CG 4.01Å; I289-A329 HydrophobicContact CD1-CB 3.77Å
290	P	98.8	Very high	98.5	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.039	8%	0.078	C	C	.	.	S	Bend	trans	-63.8	-32.8	-175.3	-20.8	30.8	0	0	0	113.9	L168 D206 L208 S249 F262	L168-P290 HydrophobicContact CD1-CG 4.28Å; L168-P290 HydrophobicContact CD2-CG 4.17Å; D206-P290 WeakPolarHBondContact O-CD 3.42Å; L208-P290 HydrophobicContact CD1-CG 4.33Å; L208-P290 HydrophobicContact CG-CG 4.48Å; S249-P290 PolarHBondContact OG-O 2.97Å; F262-P290 HydrophobicContact CD1-CB 4.25Å; F262-P290 HydrophobicContact CE1-CB 3.65Å; F262-P290 HydrophobicContact CE1-CG 3.64Å; F262-P290 VanDerWaalsContact CZ-CA 3.47Å; F262-P290 HydrophobicContact CZ-CB 3.84Å; F262-P290 HydrophobicContact CZ-CG 3.61Å
291	M	98.8	Very high	98.5	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.039	8%	0.08	C	C	.	.			trans	-148.2	105.5	-175.4	-168.3	170.1	-64.1	0	0	112.4	F159 Y161 C164 R250 I289 P294 V297	F159-M291 HydrophobicContact CD1-CE 4.48Å; Y161-M291 HydrophobicContact CD2-SD 3.8Å; C164-M291 HydrophobicContact CB-CE 3.83Å; R250-M291 HydrophobicContact CB-CB 4.49Å; R250-M291 HydrophobicContact CB-CG 3.95Å; I289-M291 VanDerWaalsContact C-N 3.31Å; I289-M291 PolarHBondContact O-N 2.79Å; M291-P294 HydrophobicContact CG-CB 4.44Å; M291-P294 HydrophobicContact SD-CB 4.16Å; M291-V297 HydrophobicContact CE-CG1 4.12Å; M291-V297 HydrophobicContact CE-CG2 4.29Å; M291-V297 HydrophobicContact CG-CG2 4.41Å; M291-V297 HydrophobicContact SD-CB 3.87Å; M291-V297 HydrophobicContact SD-CG1 3.98Å; M291-V297 HydrophobicContact SD-CG2 3.78Å
292	L	98.9	Very high	98.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-78.4	-16.6	177.4	-79.8	173	0	0	0	114.6	S249 V251 I289 Y315 A325 I326 A329	S249-L292 PolarHBondContact O-N 2.69Å; V251-L292 HydrophobicContact CB-CB 3.91Å; V251-L292 HydrophobicContact CB-CD1 3.87Å; V251-L292 HydrophobicContact CG2-CB 4.4Å; V251-L292 HydrophobicContact CG2-CD1 4.39Å; I289-L292 HydrophobicContact CB-CD2 4.44Å; I289-L292 HydrophobicContact CD1-CD2 4.07Å; I289-L292 HydrophobicContact CG2-CD2 3.79Å; I289-L292 HydrophobicContact CG2-CG 4.01Å; L292-Y315 WeakPolarHBondContact CD1-OH 3.45Å; L292-A325 HydrophobicContact CD2-CB 4.13Å; L292-A325 WeakPolarHBondContact O-CB 3.46Å; L292-I326 HydrophobicContact CD1-CD1 4.38Å; L292-I326 HydrophobicContact CD2-CD1 4.38Å; L292-A329 HydrophobicContact CD2-CB 4.07Å
293	N	98.8	Very high	98.4	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.011	7%	0.069	C	C	.	.			trans	-136.4	68.9	-177.5	-167.8	-17.8	0	0	0	111.5	R250 V251 P253 D295 G296 V297 D305 L311	R250-N293 VanDerWaalsContact O-CB 3.27Å; R250-N293 WeakPolarHBondContact O-CB 3.43Å; R250-N293 PolarHBondContact O-N 3.47Å; R250-N293 VanDerWaalsContact O-N 3.11Å; V251-N293 WeakPolarHBondContact O-CB 3.4Å; V251-N293 PolarHBondContact O-ND2 2.92Å; V251-N293 VanDerWaalsContact O-ND2 3.16Å; P253-N293 HydrophobicContact CG-CB 4.4Å; N293-D295 VanDerWaalsContact C-N 3.32Å; N293-D295 PolarHBondContact O-N 3.26Å; N293-G296 PolarHBondContact OD1-N 3.01Å; N293-V297 WeakPolarHBondContact O-CG2 3.37Å; N293-V297 PolarHBondContact O-N 3.22Å; N293-D305 PolarHBondContact ND2-N 3.04Å; N293-D305 WeakPolarHBondContact OD1-CA 3.06Å; N293-L311 HydrophobicContact CB-CD1 4.01Å
294	P	98.8	Very high	98.4	Very high	1 Å²	1	12 Å²	12	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-36.7	-179.8	28.5	-35.7	0	0	0	112.2	Y161 L203 V205 M291 G296 V297 V298	Y161-P294 HydrophobicContact CD2-CB 3.48Å; Y161-P294 VanDerWaalsContact CD2-CB 3.48Å; Y161-P294 HydrophobicContact CE2-CB 3.55Å; Y161-P294 HydrophobicContact CG-CB 4.28Å; L203-P294 HydrophobicContact CB-CB 4Å; L203-P294 HydrophobicContact CB-CG 3.96Å; L203-P294 HydrophobicContact CD1-CB 3.87Å; L203-P294 HydrophobicContact CD1-CG 4.41Å; V205-P294 HydrophobicContact CG2-CG 4.14Å; M291-P294 HydrophobicContact CG-CB 4.44Å; M291-P294 HydrophobicContact SD-CB 4.16Å; P294-G296 PolarHBondContact O-N 2.89Å; P294-V297 WeakPolarHBondContact O-CA 3.38Å; P294-V297 WeakPolarHBondContact O-CB 3.44Å; P294-V297 PolarHBondContact O-N 3.45Å; P294-V298 PolarHBondContact O-N 3.35Å
295	D	98.6	Very high	98.4	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-54.6	-55.5	-179.1	-62.1	-5.5	0	0	0	112	S199 L200 D201 N293 V297 V298 R299	S199-D295 WeakPolarHBondContact CB-OD1 3.3Å; S199-D295 WeakPolarHBondContact CB-OD2 3.09Å; S199-D295 PolarHBondContact OG-OD1 3.45Å; S199-D295 PolarHBondContact OG-OD2 2.93Å; L200-D295 WeakPolarHBondContact CA-OD2 3.34Å; L200-D295 WeakPolarHBondContact CB-OD2 3.35Å; L200-D295 PolarHBondContact N-OD2 3.36Å; D201-D295 HydrophobicContact CB-CB 4.36Å; D201-D295 WeakPolarHBondContact CB-OD1 3.42Å; D201-D295 PolarHBondContact N-OD2 2.88Å; D201-D295 VanDerWaalsContact N-OD2 3.16Å; D201-D295 VanDerWaalsContact OD2-CB 3.29Å; D201-D295 WeakPolarHBondContact OD2-CB 3.34Å; N293-D295 VanDerWaalsContact C-N 3.32Å; N293-D295 PolarHBondContact O-N 3.26Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 3.33Å; D295-V298 PolarHBondContact O-N 2.86Å; D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 WeakPolarHBondContact O-CD 3.43Å; D295-R299 WeakPolarHBondContact O-CG 3.4Å; D295-R299 PolarHBondContact O-N 3.33Å
296	G	98.5	Very high	98.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.1	-26.4	177.4	0	0	0	0	0	112.8	P253 N293 P294 G300 H301	P253-G296 VanDerWaalsContact CB-C 3.4Å; P253-G296 WeakPolarHBondContact CB-O 3.47Å; P253-G296 VanDerWaalsContact CG-C 3.41Å; P253-G296 VanDerWaalsContact CG-CA 3.48Å; N293-G296 PolarHBondContact OD1-N 3.01Å; P294-G296 PolarHBondContact O-N 2.89Å; G296-G300 PolarHBondContact O-N 2.9Å; G296-H301 VanDerWaalsContact O-CB 3.32Å; G296-H301 WeakPolarHBondContact O-CB 3.5Å; G296-H301 PolarHBondContact O-N 3.15Å
297	V	98.7	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68	-51.2	174.6	170.6	0	0	0	0	110.5	S16 P253 M291 N293 P294 D295 R299 G300	S16-V297 WeakPolarHBondContact CA-O 3.49Å; S16-V297 VanDerWaalsContact CB-O 3.26Å; S16-V297 WeakPolarHBondContact CB-O 3.46Å; S16-V297 PolarHBondContact N-O 2.83Å; S16-V297 PolarHBondContact OG-O 3.29Å; P253-V297 HydrophobicContact CB-CG2 3.82Å; P253-V297 HydrophobicContact CG-CG2 4.5Å; M291-V297 HydrophobicContact CE-CG1 4.12Å; M291-V297 HydrophobicContact CE-CG2 4.29Å; M291-V297 HydrophobicContact CG-CG2 4.41Å; M291-V297 HydrophobicContact SD-CB 3.87Å; M291-V297 HydrophobicContact SD-CG1 3.98Å; M291-V297 HydrophobicContact SD-CG2 3.78Å; N293-V297 WeakPolarHBondContact O-CG2 3.37Å; N293-V297 PolarHBondContact O-N 3.22Å; P294-V297 WeakPolarHBondContact O-CA 3.38Å; P294-V297 WeakPolarHBondContact O-CB 3.44Å; P294-V297 PolarHBondContact O-N 3.45Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 3.33Å; V297-R299 VanDerWaalsContact C-N 3.31Å; V297-R299 PolarHBondContact O-N 3.01Å; V297-G300 PolarHBondContact O-N 3Å; V297-G300 VanDerWaalsContact O-N 3.1Å
298	V	98.5	Very high	98.1	Very high	53 Å²	53	17.3 Å²	17.3	32%	0.321	8%	0.084	S	C	.	.	H	α-helix	trans	-59.4	-42.9	178.1	172.8	0	0	0	0	111.2	D15 S16 Y161 L203 P294 D295 G300	D15-V298 WeakPolarHBondContact OD1-CA 3.32Å; S16-V298 PolarHBondContact N-O 3.09Å; S16-V298 VanDerWaalsContact N-O 3.1Å; Y161-V298 HydrophobicContact CD1-CG2 4.03Å; Y161-V298 HydrophobicContact CG-CG2 3.98Å; L203-V298 HydrophobicContact CD1-CB 4.26Å; L203-V298 HydrophobicContact CD1-CG2 3.64Å; P294-V298 PolarHBondContact O-N 3.35Å; D295-V298 PolarHBondContact O-N 2.86Å; V298-G300 PolarHBondContact O-N 3.11Å
299	R	97.6	Very high	98	Very high	110 Å²	110	18.6 Å²	18.6	42%	0.415	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.2	178.7	-67.4	171.4	-178.3	-97.8	4.5	114.8	D201 D295 V297 H301	D201-R299 IonicContact OD1-CZ 3.96Å; D201-R299 IonicContact OD1-NE 3.93Å; D201-R299 IonicContact OD1-NH2 2.8Å; D201-R299 PolarHBondContact OD1-NH2 3.25Å; D201-R299 IonicContact OD2-CZ 3.37Å; D201-R299 VanDerWaalsContact OD2-CZ 3.31Å; D201-R299 IonicContact OD2-NE 3.76Å; D201-R299 PolarHBondContact OD2-NE 2.76Å; D201-R299 IonicContact OD2-NH2 3.96Å; D201-R299 PolarHBondContact OD2-NH2 3.1Å; D201-R299 VanDerWaalsContact OD2-NH2 3.08Å; D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 WeakPolarHBondContact O-CD 3.43Å; D295-R299 WeakPolarHBondContact O-CG 3.4Å; D295-R299 PolarHBondContact O-N 3.33Å; V297-R299 VanDerWaalsContact C-N 3.31Å; V297-R299 PolarHBondContact O-N 3.01Å; R299-H301 VanDerWaalsContact C-N 3.31Å; R299-H301 WeakPolarHBondContact CB-NE2 3.44Å; R299-H301 PolarHBondContact O-N 3.05Å
300	G	97.9	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	32.2	-176.6	0	0	0	0	0	113.3	N18 W74 G296 V297 V298	N18-G300 WeakPolarHBondContact CB-O 3.25Å; N18-G300 PolarHBondContact ND2-O 3.48Å; W74-G300 VanDerWaalsContact CD1-O 3.24Å; G296-G300 PolarHBondContact O-N 2.9Å; V297-G300 PolarHBondContact O-N 3Å; V297-G300 VanDerWaalsContact O-N 3.1Å; V298-G300 PolarHBondContact O-N 3.11Å
301	H	98.4	Very high	97.9	Very high	9 Å²	9	19 Å²	19	4%	0.042	9%	0.093	C	C	.	.			trans	-69.3	164.7	170.5	-66.7	-178.7	0	0	0	110.8	D61 C62 P253 G296 R299 T304 D305	D61-H301 HydrophobicContact CB-CB 4.24Å; D61-H301 WeakPolarHBondContact OD1-CA 3.48Å; C62-H301 PolarHBondContact N-CE1 3.12Å; C62-H301 PolarHBondContact N-NE2 2.99Å; C62-H301 PolarHBondContact SG-CE1 2.97Å; P253-H301 HydrophobicContact CB-CB 4.17Å; P253-H301 WeakPolarHBondContact CB-O 3.32Å; P253-H301 HydrophobicContact CG-CB 4.04Å; G296-H301 VanDerWaalsContact O-CB 3.32Å; G296-H301 WeakPolarHBondContact O-CB 3.5Å; G296-H301 PolarHBondContact O-N 3.15Å; R299-H301 VanDerWaalsContact C-N 3.31Å; R299-H301 WeakPolarHBondContact CB-NE2 3.44Å; R299-H301 PolarHBondContact O-N 3.05Å; H301-T304 PolarHBondContact ND1-O 2.87Å; H301-D305 PolarHBondContact CE1-O 3.4Å; H301-D305 PolarHBondContact ND1-O 3.04Å; H301-D305 VanDerWaalsContact ND1-O 3.14Å
302	Y	97.2	Very high	97.9	Very high	18 Å²	18	19 Å²	19	7%	0.071	9%	0.093	C	C	.	.	S	Bend	trans	-95.8	-37.8	170	179.1	-114.5	0	0	0	112.5	D61 N71 W74 G254	D61-Y302 PolarHBondContact OD1-N 3.3Å; D61-Y302 PolarHBondContact OD2-N 3.04Å; N71-Y302 HydrophobicContact CB-CD1 4.48Å; W74-Y302 HydrophobicContact CB-CD2 4.34Å; G254-Y302 PolarHBondContact N-O 3.41Å
303	R	97.4	Very high	97.8	Very high	24 Å²	24	19.9 Å²	19.9	9%	0.091	10%	0.096	C	C	.	.	S	Bend	trans	-137.2	-35.3	-157.1	-172.4	64.4	-167	172	16	116.1	D61 N71 H252 E255 N310	D61-R303 WeakPolarHBondContact OD2-CA 3.28Å; D61-R303 WeakPolarHBondContact OD2-CB 3.45Å; D61-R303 PolarHBondContact OD2-N 3.47Å; N71-R303 HydrophobicContact CB-CB 3.91Å; N71-R303 VanDerWaalsContact CG-CB 3.49Å; H252-R303 VanDerWaalsContact CD2-CZ 3.41Å; H252-R303 PolarHBondContact CE1-NH1 3.13Å; H252-R303 PolarHBondContact CE1-NH2 3.49Å; H252-R303 PolarHBondContact ND1-NH1 2.96Å; H252-R303 PolarHBondContact NE2-NH1 3.17Å; H252-R303 PolarHBondContact NE2-NH2 2.86Å; E255-R303 IonicContact OE1-CZ 3.86Å; E255-R303 IonicContact OE1-NH1 3.32Å; E255-R303 PolarHBondContact OE1-NH1 2.98Å; R303-N310 PolarHBondContact NE-OD1 3.23Å; R303-N310 PolarHBondContact NH2-OD1 2.67Å
304	T	97.7	Very high	97.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	11%	0.105	C	C	.	.			trans	-116.9	163.2	-169.9	67.6	0	0	0	0	113.5	D61 N69 H301 G308 V309	D61-T304 WeakPolarHBondContact CB-OG1 3.41Å; D61-T304 PolarHBondContact OD2-N 3.36Å; D61-T304 PolarHBondContact OD2-OG1 2.97Å; N69-T304 PolarHBondContact ND2-OG1 3.24Å; H301-T304 PolarHBondContact ND1-O 2.87Å; T304-G308 VanDerWaalsContact CB-C 3.46Å; T304-G308 WeakPolarHBondContact CG2-O 3.43Å; T304-V309 WeakPolarHBondContact CA-O 3.33Å; T304-V309 WeakPolarHBondContact CB-O 3.48Å
305	D	97.9	Very high	97.7	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.105	C	C	.	.			trans	-68	-168.4	167	65.6	10.7	0	0	0	112.6	C62 N293 H301 R307 G308 V309 L311	C62-D305 PolarHBondContact SG-O 3.11Å; N293-D305 PolarHBondContact ND2-N 3.04Å; N293-D305 WeakPolarHBondContact OD1-CA 3.06Å; H301-D305 PolarHBondContact CE1-O 3.4Å; H301-D305 PolarHBondContact ND1-O 3.04Å; H301-D305 VanDerWaalsContact ND1-O 3.14Å; D305-R307 PolarHBondContact O-N 3.31Å; D305-R307 WeakPolarHBondContact OD1-CA 3.3Å; D305-R307 PolarHBondContact OD1-N 3.14Å; D305-G308 PolarHBondContact OD1-N 2.98Å; D305-G308 VanDerWaalsContact OD1-N 3.15Å; D305-V309 PolarHBondContact N-O 3.4Å; D305-V309 PolarHBondContact OD1-N 3.32Å; D305-V309 WeakPolarHBondContact OD2-CB 3.49Å; D305-L311 HydrophobicContact CB-CD1 4.16Å; D305-L311 HydrophobicContact CB-CG 4.23Å; D305-L311 WeakPolarHBondContact OD2-CD2 3.19Å
306	S	97.3	Very high	97.6	Very high	11 Å²	11	25.3 Å²	25.3	8%	0.077	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.1	177.6	57	0	0	0	0	114.9	L200 D201	L200-S306 WeakPolarHBondContact CB-OG 3.46Å; D201-S306 VanDerWaalsContact OD1-CB 3.27Å; D201-S306 WeakPolarHBondContact OD1-CB 3.36Å; D201-S306 PolarHBondContact OD1-OG 2.95Å
307	R	96.9	Very high	97.5	Very high	85 Å²	85	34.4 Å²	34.4	32%	0.321	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	20.3	178.8	-67.1	-178.6	66	-133.6	3.6	113.1	F67 L200 D305 V309	F67-R307 VanDerWaalsContact CB-C 3.49Å; F67-R307 HydrophobicContact CD1-CB 4.34Å; F67-R307 WeakPolarHBondContact CD1-O 3.49Å; F67-R307 HydrophobicContact CD2-CB 4.29Å; F67-R307 HydrophobicContact CD2-CG 4.26Å; F67-R307 HydrophobicContact CE1-CB 4.46Å; F67-R307 HydrophobicContact CE2-CB 4.4Å; F67-R307 HydrophobicContact CE2-CG 4.02Å; F67-R307 HydrophobicContact CG-CB 4.27Å; F67-R307 HydrophobicContact CZ-CB 4.5Å; F67-R307 HydrophobicContact CZ-CG 4.28Å; L200-R307 HydrophobicContact CD1-CB 4.4Å; L200-R307 HydrophobicContact CD1-CG 3.99Å; D305-R307 PolarHBondContact O-N 3.31Å; D305-R307 WeakPolarHBondContact OD1-CA 3.3Å; D305-R307 PolarHBondContact OD1-N 3.14Å; R307-V309 HydrophobicContact CB-CG2 4.27Å; R307-V309 PolarHBondContact O-N 3.38Å
308	G	96.5	Very high	97.5	Very high	25 Å²	25	35.2 Å²	35.2	26%	0.258	17%	0.169	S	C	.	.	S	Bend	trans	71.5	11.3	176.9	0	0	0	0	0	114.1	C62 T304 D305	C62-G308 PolarHBondContact SG-N 3.05Å; T304-G308 VanDerWaalsContact CB-C 3.46Å; T304-G308 WeakPolarHBondContact CG2-O 3.43Å; D305-G308 PolarHBondContact OD1-N 2.98Å; D305-G308 VanDerWaalsContact OD1-N 3.15Å
309	V	96.5	Very high	97.4	Very high	26 Å²	26	35.9 Å²	35.9	16%	0.158	17%	0.17	C	C	.	.			trans	-85	130.5	-175.3	-170.5	0	0	0	0	111.2	T304 D305 R307 L311 Q314	T304-V309 WeakPolarHBondContact CA-O 3.33Å; T304-V309 WeakPolarHBondContact CB-O 3.48Å; D305-V309 PolarHBondContact N-O 3.4Å; D305-V309 PolarHBondContact OD1-N 3.32Å; D305-V309 WeakPolarHBondContact OD2-CB 3.49Å; R307-V309 HydrophobicContact CB-CG2 4.27Å; R307-V309 PolarHBondContact O-N 3.38Å; V309-L311 VanDerWaalsContact C-N 3.32Å; V309-L311 HydrophobicContact CG1-CD2 4.42Å; V309-L311 PolarHBondContact O-N 3.15Å; V309-Q314 HydrophobicContact CG1-CG 3.74Å
310	N	97.1	Very high	97.4	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	16%	0.157	C	C	.	.			trans	-76.1	81.9	169.6	-170.4	-1.4	0	0	0	108.4	R303 N312 R313 D491	R303-N310 PolarHBondContact NE-OD1 3.23Å; R303-N310 PolarHBondContact NH2-OD1 2.67Å; N310-N312 PolarHBondContact O-N 3.32Å; N310-R313 HydrophobicContact CB-CG 4.07Å; N310-R313 VanDerWaalsContact O-CB 3.29Å; N310-R313 WeakPolarHBondContact O-CB 3.38Å; N310-R313 PolarHBondContact O-N 3.25Å; N310-D491 PolarHBondContact ND2-OD2 2.93Å
311	L	98.2	Very high	97.4	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-51.8	-34.3	-170.3	-73.8	-177.5	0	0	0	114.2	V251 N293 D305 V309 R313 Q314 I326	V251-L311 HydrophobicContact CG2-CB 3.53Å; N293-L311 HydrophobicContact CB-CD1 4.01Å; D305-L311 HydrophobicContact CB-CD1 4.16Å; D305-L311 HydrophobicContact CB-CG 4.23Å; D305-L311 WeakPolarHBondContact OD2-CD2 3.19Å; V309-L311 VanDerWaalsContact C-N 3.32Å; V309-L311 HydrophobicContact CG1-CD2 4.42Å; V309-L311 PolarHBondContact O-N 3.15Å; L311-R313 PolarHBondContact O-N 3Å; L311-Q314 PolarHBondContact O-N 3.42Å; L311-I326 HydrophobicContact CB-CD1 4.04Å; L311-I326 HydrophobicContact CB-CG1 3.99Å; L311-I326 HydrophobicContact CD1-CD1 4.46Å; L311-I326 HydrophobicContact CD1-CG1 4.38Å; L311-I326 HydrophobicContact CD2-CG1 4.02Å; L311-I326 HydrophobicContact CG-CG1 4.36Å
312	N	97.9	Very high	97.4	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.032	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-74.9	35.9	171.8	-157.3	11	0	0	0	114	V251 H252 N310 D432 H434 S498 G499	V251-N312 HydrophobicContact CG1-CB 4.05Å; V251-N312 HydrophobicContact CG2-CB 4.1Å; H252-N312 VanDerWaalsContact NE2-CB 3.26Å; H252-N312 WeakPolarHBondContact NE2-CB 3.44Å; N310-N312 PolarHBondContact O-N 3.32Å; N312-D432 PolarHBondContact ND2-OD2 3.37Å; N312-H434 PolarHBondContact ND2-CE1 3.05Å; N312-H434 PolarHBondContact ND2-NE2 3.13Å; N312-S498 WeakPolarHBondContact O-CA 3.44Å; N312-S498 WeakPolarHBondContact OD1-CA 3.3Å; N312-S498 VanDerWaalsContact OD1-CB 3.26Å; N312-S498 WeakPolarHBondContact OD1-CB 3.45Å; N312-G499 PolarHBondContact OD1-N 3.48Å
313	R	96.9	Very high	97.4	Very high	21 Å²	21	39.3 Å²	39.3	8%	0.079	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-132.3	-7.4	167.7	-61.6	-68.6	-174.3	-75	-12.1	112.4	N310 L311 D488 Q493 S494 G497	N310-R313 HydrophobicContact CB-CG 4.07Å; N310-R313 VanDerWaalsContact O-CB 3.29Å; N310-R313 WeakPolarHBondContact O-CB 3.38Å; N310-R313 PolarHBondContact O-N 3.25Å; L311-R313 PolarHBondContact O-N 3Å; R313-D488 IonicContact NH2-OD2 3.51Å; R313-Q493 HydrophobicContact CB-CB 4.46Å; R313-Q493 HydrophobicContact CG-CB 4Å; R313-Q493 VanDerWaalsContact CG-OE1 3.23Å; R313-S494 VanDerWaalsContact CD-O 3.23Å; R313-S494 WeakPolarHBondContact CD-O 3.28Å; R313-G497 CarbonylContact C-O 3.09Å; R313-G497 WeakPolarHBondContact CA-O 3.49Å; R313-G497 VanDerWaalsContact O-CA 3.26Å; R313-G497 WeakPolarHBondContact O-CA 3.45Å
314	Q	97.6	Very high	97.5	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.192	20%	0.204	C	C	.	.			trans	-97.2	-4.5	-171.9	-50.5	-51.2	-32.2	0	0	114.2	V309 L311 L316 K317 P318 G497	V309-Q314 HydrophobicContact CG1-CG 3.74Å; L311-Q314 PolarHBondContact O-N 3.42Å; Q314-L316 PolarHBondContact O-N 2.98Å; Q314-L316 VanDerWaalsContact O-N 3.09Å; Q314-K317 CarbonylContact O-C 3.02Å; Q314-K317 PolarHBondContact O-N 2.73Å; Q314-P318 WeakPolarHBondContact O-CA 3.4Å; Q314-P318 VanDerWaalsContact O-CD 3.32Å; Q314-P318 WeakPolarHBondContact O-CD 3.42Å; Q314-G497 PolarHBondContact N-O 2.82Å
315	Y	98.2	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-66.2	-14.1	-173.5	-77.5	-95	0	0	0	115	L292 I326 K330 Y430 G497 G499 I503	L292-Y315 WeakPolarHBondContact CD1-OH 3.45Å; Y315-I326 HydrophobicContact CD1-CG2 3.63Å; Y315-I326 HydrophobicContact CD2-CG2 3.69Å; Y315-I326 HydrophobicContact CE1-CG2 3.82Å; Y315-I326 HydrophobicContact CE2-CD1 3.99Å; Y315-I326 HydrophobicContact CE2-CG2 3.89Å; Y315-I326 HydrophobicContact CG-CG2 3.57Å; Y315-K330 WeakPolarHBondContact O-CD 3.35Å; Y315-K330 PolarHBondContact O-NZ 3.17Å; Y315-Y430 PolarHBondContact OH-OH 3.49Å; Y315-G497 PolarHBondContact N-O 2.76Å; Y315-G497 VanDerWaalsContact N-O 3.17Å; Y315-G499 VanDerWaalsContact CD2-CA 3.42Å; Y315-I503 HydrophobicContact CD1-CD1 4.35Å; Y315-I503 HydrophobicContact CD1-CG1 4.42Å
316	L	96.9	Very high	97.5	Very high	80 Å²	80	38.9 Å²	38.9	42%	0.419	20%	0.204	S	C	.	.	S	Bend	trans	-66.1	-53.4	175.4	-75.6	166.9	0	0	0	111.3	Q314 K330 E496 A502	Q314-L316 PolarHBondContact O-N 2.98Å; Q314-L316 VanDerWaalsContact O-N 3.09Å; L316-K330 PolarHBondContact O-NZ 2.96Å; L316-E496 HydrophobicContact CD1-CB 4.47Å; L316-E496 HydrophobicContact CD1-CG 4.11Å; L316-E496 HydrophobicContact CD2-CG 4.35Å; L316-A502 HydrophobicContact CD2-CB 3.95Å; L316-A502 HydrophobicContact CG-CB 4.09Å
317	K	96.4	Very high	97.6	Very high	190 Å²	190	40.7 Å²	40.7	83%	0.826	21%	0.21	S	C	*	.	S	Bend	trans	-139.2	76.6	174.6	-170.8	179.3	-179.5	179.5	0	108.5	Q314	Q314-K317 CarbonylContact O-C 3.02Å; Q314-K317 PolarHBondContact O-N 2.73Å
318	P	97.6	Very high	97.7	Very high	18 Å²	18	36.7 Å²	36.7	12%	0.117	20%	0.195	C	C	.	.			trans	-68.1	159.2	174.3	30.9	-34.2	0	0	0	109.2	Q314 H323 I326 K330	Q314-P318 WeakPolarHBondContact O-CA 3.4Å; Q314-P318 VanDerWaalsContact O-CD 3.32Å; Q314-P318 WeakPolarHBondContact O-CD 3.42Å; P318-H323 HydrophobicContact CB-CB 4.44Å; P318-I326 HydrophobicContact CB-CB 4.2Å; P318-I326 HydrophobicContact CB-CG2 3.95Å; P318-K330 HydrophobicContact CG-CB 4.34Å; P318-K330 HydrophobicContact CG-CD 3.82Å
319	D	97.9	Very high	97.8	Very high	66 Å²	66	35.5 Å²	35.5	35%	0.353	18%	0.183	S	C	.	.			trans	-119.7	135.4	-177.9	-178	-72.3	0	0	0	107.6	V321 L322 H323	D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 2.97Å; D319-V321 WeakPolarHBondContact OD1-CA 3.4Å; D319-V321 PolarHBondContact OD1-N 3.42Å; D319-L322 HydrophobicContact CB-CB 4.03Å; D319-L322 HydrophobicContact CB-CG 4.29Å; D319-L322 PolarHBondContact OD1-N 3.27Å; D319-H323 PolarHBondContact N-ND1 2.85Å; D319-H323 CarbonylContact O-C 3.58Å; D319-H323 VanDerWaalsContact O-CA 3.25Å; D319-H323 WeakPolarHBondContact O-CA 3.42Å; D319-H323 WeakPolarHBondContact O-CB 3.38Å; D319-H323 PolarHBondContact O-N 3.39Å
320	A	97.3	Very high	97.9	Very high	18 Å²	18	35.6 Å²	35.6	15%	0.149	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.2	-174.3	0	0	0	0	0	113.1	Q226 P324 Y327	Q226-A320 HydrophobicContact CB-CB 4.04Å; Q226-A320 HydrophobicContact CG-CB 4.46Å; A320-P324 WeakPolarHBondContact O-CA 3.45Å; A320-P324 WeakPolarHBondContact O-CB 3.3Å; A320-Y327 HydrophobicContact CB-CD1 3.72Å; A320-Y327 HydrophobicContact CB-CD2 3.92Å; A320-Y327 HydrophobicContact CB-CE1 3.85Å; A320-Y327 HydrophobicContact CB-CE2 4.02Å; A320-Y327 HydrophobicContact CB-CG 3.77Å
321	V	97.4	Very high	98	Very high	100 Å²	100	36.3 Å²	36.3	61%	0.606	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-42.5	179.5	-177.4	0	0	0	0	111	L200 D319	L200-V321 VanDerWaalsContact CD2-O 3.29Å; L200-V321 WeakPolarHBondContact CD2-O 3.17Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 2.97Å; D319-V321 WeakPolarHBondContact OD1-CA 3.4Å; D319-V321 PolarHBondContact OD1-N 3.42Å
322	L	97.8	Very high	98	Very high	70 Å²	70	36 Å²	36	37%	0.366	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-24.3	-175.6	-48.8	-176.9	0	0	0	113.4	D319	D319-L322 HydrophobicContact CB-CB 4.03Å; D319-L322 HydrophobicContact CB-CG 4.29Å; D319-L322 PolarHBondContact OD1-N 3.27Å
323	H	98.3	Very high	98	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.102	19%	0.185	C	C	.	.	S	Bend	trans	-138.2	45.4	-174.6	-47.1	122.4	0	0	0	112.8	P318 D319 A325 I326 Y327	P318-H323 HydrophobicContact CB-CB 4.44Å; D319-H323 PolarHBondContact N-ND1 2.85Å; D319-H323 CarbonylContact O-C 3.58Å; D319-H323 VanDerWaalsContact O-CA 3.25Å; D319-H323 WeakPolarHBondContact O-CA 3.42Å; D319-H323 WeakPolarHBondContact O-CB 3.38Å; D319-H323 PolarHBondContact O-N 3.39Å; H323-A325 PolarHBondContact O-N 2.86Å; H323-A325 VanDerWaalsContact O-N 3.17Å; H323-I326 HydrophobicContact CB-CB 4.42Å; H323-I326 PolarHBondContact O-N 2.78Å; H323-Y327 PolarHBondContact O-N 3.21Å
324	P	98.6	Very high	98	Very high	15 Å²	15	37.1 Å²	37.1	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-52.5	-46.4	-162.8	17.8	-32.4	0	0	0	114.3	C197 Y198 L200 A320 I326 Y327 G328	C197-P324 HydrophobicContact CB-CB 4.33Å; Y198-P324 WeakPolarHBondContact O-CB 3.44Å; Y198-P324 WeakPolarHBondContact O-CG 3.49Å; L200-P324 HydrophobicContact CD2-CG 4.47Å; A320-P324 WeakPolarHBondContact O-CA 3.45Å; A320-P324 WeakPolarHBondContact O-CB 3.3Å; P324-I326 VanDerWaalsContact C-N 3.28Å; P324-I326 PolarHBondContact O-N 3.02Å; P324-Y327 PolarHBondContact O-N 2.86Å; P324-G328 PolarHBondContact O-N 2.94Å
325	A	98.6	Very high	98	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-33.7	179.6	0	0	0	0	0	113.6	V205 L292 H323 A329	V205-A325 HydrophobicContact CG1-CB 4.25Å; V205-A325 HydrophobicContact CG2-CB 4.08Å; L292-A325 HydrophobicContact CD2-CB 4.13Å; L292-A325 WeakPolarHBondContact O-CB 3.46Å; H323-A325 PolarHBondContact O-N 2.86Å; H323-A325 VanDerWaalsContact O-N 3.17Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.32Å
326	I	98.8	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-83.9	-34.8	-178.3	-51	-56.2	0	0	0	110.8	V251 L292 L311 Y315 P318 H323 P324 K330	V251-I326 HydrophobicContact CG2-CD1 3.88Å; L292-I326 HydrophobicContact CD1-CD1 4.38Å; L292-I326 HydrophobicContact CD2-CD1 4.38Å; L311-I326 HydrophobicContact CB-CD1 4.04Å; L311-I326 HydrophobicContact CB-CG1 3.99Å; L311-I326 HydrophobicContact CD1-CD1 4.46Å; L311-I326 HydrophobicContact CD1-CG1 4.38Å; L311-I326 HydrophobicContact CD2-CG1 4.02Å; L311-I326 HydrophobicContact CG-CG1 4.36Å; Y315-I326 HydrophobicContact CD1-CG2 3.63Å; Y315-I326 HydrophobicContact CD2-CG2 3.69Å; Y315-I326 HydrophobicContact CE1-CG2 3.82Å; Y315-I326 HydrophobicContact CE2-CD1 3.99Å; Y315-I326 HydrophobicContact CE2-CG2 3.89Å; Y315-I326 HydrophobicContact CG-CG2 3.57Å; P318-I326 HydrophobicContact CB-CB 4.2Å; P318-I326 HydrophobicContact CB-CG2 3.95Å; H323-I326 HydrophobicContact CB-CB 4.42Å; H323-I326 PolarHBondContact O-N 2.78Å; P324-I326 VanDerWaalsContact C-N 3.28Å; P324-I326 PolarHBondContact O-N 3.02Å; I326-K330 VanDerWaalsContact O-CB 3.31Å; I326-K330 WeakPolarHBondContact O-CB 3.33Å; I326-K330 PolarHBondContact O-N 3.35Å; I326-K330 VanDerWaalsContact O-N 3.12Å
327	Y	98.8	Very high	97.9	Very high	49 Å²	49	33.5 Å²	33.5	19%	0.192	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-51.1	167.5	176.4	-90.1	0	0	0	110.1	E225 Q226 L227 A320 H323 P324 A329 K330 A331	E225-Y327 WeakPolarHBondContact O-CE1 3.37Å; E225-Y327 PolarHBondContact O-OH 2.72Å; Q226-Y327 HydrophobicContact CB-CE1 4.4Å; L227-Y327 HydrophobicContact CD1-CD1 4.11Å; L227-Y327 HydrophobicContact CD1-CE1 3.87Å; L227-Y327 HydrophobicContact CD2-CD1 4.16Å; L227-Y327 HydrophobicContact CD2-CE1 4.46Å; L227-Y327 HydrophobicContact CG-CD1 4.18Å; L227-Y327 HydrophobicContact CG-CE1 3.99Å; A320-Y327 HydrophobicContact CB-CD1 3.72Å; A320-Y327 HydrophobicContact CB-CD2 3.92Å; A320-Y327 HydrophobicContact CB-CE1 3.85Å; A320-Y327 HydrophobicContact CB-CE2 4.02Å; A320-Y327 HydrophobicContact CB-CG 3.77Å; H323-Y327 PolarHBondContact O-N 3.21Å; P324-Y327 PolarHBondContact O-N 2.86Å; Y327-A329 PolarHBondContact O-N 3.4Å; Y327-K330 PolarHBondContact O-N 2.84Å; Y327-A331 HydrophobicContact CE1-CB 4.45Å; Y327-A331 VanDerWaalsContact O-CB 3.29Å; Y327-A331 WeakPolarHBondContact O-CB 2.93Å; Y327-A331 PolarHBondContact O-N 3.32Å
328	G	98.7	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-51.9	177.6	0	0	0	0	0	113.7	L227 P324 K330 A331 V332	L227-G328 VanDerWaalsContact CD2-CA 3.49Å; P324-G328 PolarHBondContact O-N 2.94Å; G328-K330 VanDerWaalsContact C-N 3.3Å; G328-K330 PolarHBondContact O-N 2.79Å; G328-A331 PolarHBondContact O-N 2.84Å; G328-V332 WeakPolarHBondContact O-CG2 3.14Å; G328-V332 PolarHBondContact O-N 3.03Å
329	A	98.8	Very high	97.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-41	178	0	0	0	0	0	112.6	F246 I289 L292 A325 Y327 L333	F246-A329 HydrophobicContact CE1-CB 4.37Å; F246-A329 HydrophobicContact CZ-CB 3.96Å; I289-A329 HydrophobicContact CD1-CB 3.77Å; L292-A329 HydrophobicContact CD2-CB 4.07Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.32Å; Y327-A329 PolarHBondContact O-N 3.4Å; A329-L333 WeakPolarHBondContact O-CB 3.42Å; A329-L333 PolarHBondContact O-N 3.15Å
330	K	98.6	Very high	97.2	Very high	28 Å²	28	29.2 Å²	29.2	12%	0.122	16%	0.159	C	C	.	.	H	α-helix	trans	-71	-43.6	177.7	-176	173.6	-176.3	171.9	0	112.4	Y315 L316 P318 I326 Y327 G328 L333 L334 I503	Y315-K330 WeakPolarHBondContact O-CD 3.35Å; Y315-K330 PolarHBondContact O-NZ 3.17Å; L316-K330 PolarHBondContact O-NZ 2.96Å; P318-K330 HydrophobicContact CG-CB 4.34Å; P318-K330 HydrophobicContact CG-CD 3.82Å; I326-K330 VanDerWaalsContact O-CB 3.31Å; I326-K330 WeakPolarHBondContact O-CB 3.33Å; I326-K330 PolarHBondContact O-N 3.35Å; I326-K330 VanDerWaalsContact O-N 3.12Å; Y327-K330 PolarHBondContact O-N 2.84Å; G328-K330 VanDerWaalsContact C-N 3.3Å; G328-K330 PolarHBondContact O-N 2.79Å; K330-L333 PolarHBondContact O-N 3.24Å; K330-L334 HydrophobicContact CD-CD1 4.38Å; K330-L334 HydrophobicContact CG-CD1 3.87Å; K330-L334 HydrophobicContact CG-CG 4.22Å; K330-L334 WeakPolarHBondContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CG 3.34Å; K330-L334 PolarHBondContact O-N 2.82Å; K330-I503 HydrophobicContact CB-CD1 4.34Å; K330-I503 HydrophobicContact CG-CD1 4.02Å
331	A	98.6	Very high	96.8	Very high	23 Å²	23	34.5 Å²	34.5	19%	0.19	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-45.8	-178	0	0	0	0	0	111.7	L224 L227 Y327 G328 L333 L334 Y335	L224-A331 HydrophobicContact CD1-CB 4.2Å; L227-A331 HydrophobicContact CD1-CB 3.61Å; Y327-A331 HydrophobicContact CE1-CB 4.45Å; Y327-A331 VanDerWaalsContact O-CB 3.29Å; Y327-A331 WeakPolarHBondContact O-CB 2.93Å; Y327-A331 PolarHBondContact O-N 3.32Å; G328-A331 PolarHBondContact O-N 2.84Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.28Å; A331-L334 PolarHBondContact O-N 3.01Å; A331-Y335 WeakPolarHBondContact O-CB 3.5Å; A331-Y335 PolarHBondContact O-N 2.93Å
332	V	98.6	Very high	96	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-44.3	175.1	172.2	0	0	0	0	111.1	L196 L207 L224 F228 F246 G328 H336	L196-V332 HydrophobicContact CD1-CG2 3.7Å; L207-V332 HydrophobicContact CD2-CG1 4.31Å; L207-V332 HydrophobicContact CD2-CG2 4.37Å; L224-V332 HydrophobicContact CD1-CG2 4.07Å; F228-V332 HydrophobicContact CE2-CG2 4.29Å; F228-V332 HydrophobicContact CZ-CG2 3.73Å; F246-V332 HydrophobicContact CE2-CB 4.35Å; F246-V332 HydrophobicContact CE2-CG1 4.06Å; G328-V332 WeakPolarHBondContact O-CG2 3.14Å; G328-V332 PolarHBondContact O-N 3.03Å; V332-H336 PolarHBondContact O-CD2 2.67Å; V332-H336 PolarHBondContact O-N 3.24Å; V332-H336 VanDerWaalsContact O-N 3.12Å
333	L	97.9	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-47.1	179.2	-169.4	154	0	0	0	112.2	F246 A329 K330 A331 H336 H337 V427 Y430 I503	F246-L333 HydrophobicContact CB-CD1 4.24Å; F246-L333 HydrophobicContact CD1-CD1 4.39Å; F246-L333 HydrophobicContact CD2-CB 4.26Å; F246-L333 HydrophobicContact CD2-CD1 4.35Å; F246-L333 HydrophobicContact CE2-CB 4.36Å; F246-L333 HydrophobicContact CG-CD1 4.07Å; A329-L333 WeakPolarHBondContact O-CB 3.42Å; A329-L333 PolarHBondContact O-N 3.15Å; K330-L333 PolarHBondContact O-N 3.24Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.28Å; L333-H336 PolarHBondContact O-N 3.21Å; L333-H337 WeakPolarHBondContact O-CB 3.19Å; L333-H337 PolarHBondContact O-N 3.29Å; L333-V427 HydrophobicContact CD2-CG2 4.17Å; L333-V427 HydrophobicContact CG-CG1 4.38Å; L333-V427 HydrophobicContact CG-CG2 4.06Å; L333-V427 WeakPolarHBondContact O-CG2 3.33Å; L333-Y430 HydrophobicContact CD1-CD2 3.32Å; L333-Y430 HydrophobicContact CD1-CE2 4.08Å; L333-Y430 HydrophobicContact CD1-CG 3.98Å; L333-I503 HydrophobicContact CD1-CD1 4.14Å; L333-I503 HydrophobicContact CD1-CG1 4.29Å; L333-I503 HydrophobicContact CD1-CG2 3.64Å; L333-I503 HydrophobicContact CD2-CD1 4.37Å; L333-I503 HydrophobicContact CD2-CG2 3.66Å; L333-I503 HydrophobicContact CG-CG2 4.33Å
334	L	97.1	Very high	92	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.267	21%	0.211	S	C	.	.	H	α-helix	trans	-68.4	-35.4	179.6	-67.8	-178.4	0	0	0	112.4	K330 A331 H336 H337 V338 A506	K330-L334 HydrophobicContact CD-CD1 4.38Å; K330-L334 HydrophobicContact CG-CD1 3.87Å; K330-L334 HydrophobicContact CG-CG 4.22Å; K330-L334 WeakPolarHBondContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CG 3.34Å; K330-L334 PolarHBondContact O-N 2.82Å; A331-L334 PolarHBondContact O-N 3.01Å; L334-H336 PolarHBondContact O-N 2.81Å; L334-H337 PolarHBondContact O-N 3Å; L334-V338 PolarHBondContact O-N 2.83Å; L334-A506 HydrophobicContact CD1-CB 4.44Å; L334-A506 HydrophobicContact CD2-CB 4.03Å; L334-A506 WeakPolarHBondContact CD2-O 3.4Å
335	Y	97.6	Very high	89.3	Confident	26 Å²	26	47.3 Å²	47.3	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-54.4	-53.6	169.3	168.6	-101.6	0	0	0	110.5	P222 L224 A331 H337 V338 H339	P222-Y335 VanDerWaalsContact CD-OH 3.22Å; P222-Y335 WeakPolarHBondContact CD-OH 3.4Å; P222-Y335 HydrophobicContact CG-CD2 4.35Å; P222-Y335 HydrophobicContact CG-CE2 3.56Å; L224-Y335 HydrophobicContact CD1-CG 4.42Å; L224-Y335 HydrophobicContact CD2-CD2 3.88Å; L224-Y335 HydrophobicContact CD2-CG 3.98Å; A331-Y335 WeakPolarHBondContact O-CB 3.5Å; A331-Y335 PolarHBondContact O-N 2.93Å; Y335-H337 PolarHBondContact O-N 3.26Å; Y335-V338 PolarHBondContact O-N 3.48Å; Y335-H339 HydrophobicContact CD2-CB 4.14Å; Y335-H339 AromaticContact CD2-CE1 3.91Å; Y335-H339 AromaticContact CD2-CG 3.79Å; Y335-H339 AromaticContact CD2-ND1 3.32Å; Y335-H339 VanDerWaalsContact CD2-ND1 3.32Å; Y335-H339 WeakPolarHBondContact CD2-ND1 3.33Å; Y335-H339 HydrophobicContact CE1-CB 4.29Å; Y335-H339 HydrophobicContact CE2-CB 3.61Å; Y335-H339 AromaticContact CE2-CG 3.46Å; Y335-H339 VanDerWaalsContact CE2-CG 3.46Å; Y335-H339 AromaticContact CE2-ND1 3.51Å; Y335-H339 WeakPolarHBondContact O-CB 3.43Å; Y335-H339 PolarHBondContact O-N 2.95Å; Y335-H339 PolarHBondContact O-ND1 2.82Å
336	H	97.3	Very high	86.3	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-69.8	-31.7	-178.1	-74.8	-64.5	0	0	0	114.5	E221 I244 K287 V332 L333 L334 V338 S340 G426 V427	E221-H336 IonicContact OE1-CE1 3.03Å; E221-H336 PolarHBondContact OE1-CE1 2.73Å; E221-H336 VanDerWaalsContact OE1-CE1 3.29Å; E221-H336 IonicContact OE1-NE2 3.22Å; E221-H336 IonicContact OE2-NE2 3.55Å; I244-H336 HydrophobicContact CB-CB 4.47Å; I244-H336 HydrophobicContact CD1-CB 4.38Å; I244-H336 HydrophobicContact CG1-CB 3.46Å; I244-H336 VanDerWaalsContact CG1-CB 3.46Å; I244-H336 VanDerWaalsContact CG1-CG 3.49Å; K287-H336 VanDerWaalsContact CE-NE2 3.3Å; K287-H336 WeakPolarHBondContact CE-NE2 3.32Å; V332-H336 PolarHBondContact O-CD2 2.67Å; V332-H336 PolarHBondContact O-N 3.24Å; V332-H336 VanDerWaalsContact O-N 3.12Å; L333-H336 PolarHBondContact O-N 3.21Å; L334-H336 PolarHBondContact O-N 2.81Å; H336-V338 PolarHBondContact O-N 3.41Å; H336-S340 PolarHBondContact ND1-OG 3.21Å; H336-S340 WeakPolarHBondContact O-CB 3.45Å; H336-S340 PolarHBondContact O-N 2.89Å; H336-G426 WeakPolarHBondContact O-CA 3.37Å; H336-V427 HydrophobicContact CB-CG2 4.04Å
337	H	95.6	Very high	83.2	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-54.3	-41.2	174.6	169.4	60.5	0	0	0	111.3	L333 L334 Y335 S425 G426 V427 S507	L333-H337 WeakPolarHBondContact O-CB 3.19Å; L333-H337 PolarHBondContact O-N 3.29Å; L334-H337 PolarHBondContact O-N 3Å; Y335-H337 PolarHBondContact O-N 3.26Å; H337-S425 WeakPolarHBondContact ND1-CB 3.34Å; H337-S425 PolarHBondContact ND1-OG 3.45Å; H337-G426 PolarHBondContact O-N 3.03Å; H337-G426 VanDerWaalsContact O-N 3.09Å; H337-V427 HydrophobicContact CB-CG2 4.16Å; H337-S507 PolarHBondContact CE1-O 3.09Å
338	V	94.2	Very high	80	Confident	63 Å²	63	60.8 Å²	60.8	38%	0.382	34%	0.344	S	S	.	.	H	α-helix	trans	-88.1	-41.6	179.2	-178.2	0	0	0	0	113.2	L334 Y335 H336 R341 I420	L334-V338 PolarHBondContact O-N 2.83Å; Y335-V338 PolarHBondContact O-N 3.48Å; H336-V338 PolarHBondContact O-N 3.41Å; V338-R341 WeakPolarHBondContact O-CG 3.26Å; V338-R341 PolarHBondContact O-NE 2.98Å; V338-I420 HydrophobicContact CB-CD1 4.3Å; V338-I420 HydrophobicContact CG1-CD1 4.46Å; V338-I420 HydrophobicContact CG2-CD1 3.89Å
339	H	92	Very high	77	Confident	98 Å²	98	69.2 Å²	69.2	45%	0.454	38%	0.383	S	S	.	.	H	α-helix	trans	-104.9	5.5	-166.1	-56.7	89.1	0	0	0	115.4	R238 Y335	R238-H339 PolarHBondContact NH2-O 3.27Å; Y335-H339 HydrophobicContact CD2-CB 4.14Å; Y335-H339 AromaticContact CD2-CE1 3.91Å; Y335-H339 AromaticContact CD2-CG 3.79Å; Y335-H339 AromaticContact CD2-ND1 3.32Å; Y335-H339 VanDerWaalsContact CD2-ND1 3.32Å; Y335-H339 WeakPolarHBondContact CD2-ND1 3.33Å; Y335-H339 HydrophobicContact CE1-CB 4.29Å; Y335-H339 HydrophobicContact CE2-CB 3.61Å; Y335-H339 AromaticContact CE2-CG 3.46Å; Y335-H339 VanDerWaalsContact CE2-CG 3.46Å; Y335-H339 AromaticContact CE2-ND1 3.51Å; Y335-H339 WeakPolarHBondContact O-CB 3.43Å; Y335-H339 PolarHBondContact O-N 2.95Å; Y335-H339 PolarHBondContact O-ND1 2.82Å
340	S	91.4	Very high	73.7	Confident	23 Å²	23	78.1 Å²	78.1	16%	0.161	42%	0.424	C	S	.	.	S	Bend	trans	-128	25	175.7	-53.2	0	0	0	0	112.5	H336 G426	H336-S340 PolarHBondContact ND1-OG 3.21Å; H336-S340 WeakPolarHBondContact O-CB 3.45Å; H336-S340 PolarHBondContact O-N 2.89Å; S340-G426 WeakPolarHBondContact O-CA 3.37Å
341	R	88.8	Confident	70.2	Confident	129 Å²	129	85.1 Å²	85.1	49%	0.487	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-57.1	148	173.8	-61.3	-173	-67.6	-168.7	2.3	110.6	V338 E424	V338-R341 WeakPolarHBondContact O-CG 3.26Å; V338-R341 PolarHBondContact O-NE 2.98Å; R341-E424 WeakPolarHBondContact CA-O 3.49Å; R341-E424 WeakPolarHBondContact CB-O 3.38Å; R341-E424 VanDerWaalsContact CG-O 3.29Å; R341-E424 WeakPolarHBondContact CG-O 3.4Å
342	L	80.9	Confident	66.9	Low	70 Å²	70	89.2 Å²	89.2	37%	0.366	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-81.5	122.2	165.7	-58.4	178.8	0	0	0	107.4	G241 R243 S344	G241-L342 VanDerWaalsContact C-CD2 3.43Å; G241-L342 WeakPolarHBondContact O-CD2 3.3Å; R243-L342 HydrophobicContact CG-CD1 3.93Å; R243-L342 HydrophobicContact CG-CD2 4.18Å; R243-L342 HydrophobicContact CG-CG 3.84Å; L342-S344 PolarHBondContact O-N 2.75Å
343	N	65.4	Low	63.5	Low	145 Å²	145	94.1 Å²	94.1	78%	0.775	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-59.6	122.4	-175.5	-74.9	9.6	0	0	0	111.3	Q345	N343-Q345 PolarHBondContact O-N 2.96Å
344	S	46.1	Very low	60.3	Low	96 Å²	96	99.2 Å²	99.2	67%	0.671	55%	0.55	S	S	*	.	S	Bend	trans	-84.8	11.2	167.5	44.4	0	0	0	0	113	L342	L342-S344 PolarHBondContact O-N 2.75Å
345	Q	41.7	Very low	56.9	Low	165 Å²	165	102.7 Å²	102.7	77%	0.771	58%	0.577	S	S	*	*			trans	-125.7	107.3	177.3	-74.5	-177.9	-29.9	0	0	111	N343	N343-Q345 PolarHBondContact O-N 2.96Å
346	S	36.4	Very low	53.7	Low	127 Å²	127	109.2 Å²	109.2	89%	0.888	61%	0.612	S	S	*	*			trans	-152.9	47.5	159.5	68.6	0	0	0	0	109.4
347	S	33.1	Very low	50.5	Low	92 Å²	92	114.2 Å²	114.2	64%	0.643	65%	0.645	S	S	*	*	S	Bend	trans	-146	111.4	-179.3	55.3	0	0	0	0	108.3
348	S	32.2	Very low	47.7	Very low	119 Å²	119	118.7 Å²	118.7	83%	0.832	68%	0.676	S	S	*	*	S	Bend	trans	63.1	134.3	-163.7	77.3	0	0	0	0	113.1
349	E	34.2	Very low	44.8	Very low	177 Å²	177	123.2 Å²	123.2	83%	0.827	70%	0.698	S	S	*	*	S	Bend	cis	-129.9	170.5	2.9	-67.9	-175.8	122.9	0	0	112.3
350	H	29.5	Very low	41.8	Very low	187 Å²	187	122.8 Å²	122.8	87%	0.866	71%	0.711	S	S	*	*			trans	98	81.5	-174.4	-61.9	-55.5	0	0	0	116.6	P352	H350-P352 VanDerWaalsContact O-CD 3.3Å; H350-P352 WeakPolarHBondContact O-CD 3.26Å
351	Q	25.4	Very low	39	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	75%	0.746	S	S	*	*			trans	-88.9	105.9	153.4	-84.4	-86.9	-5.6	0	0	109
352	P	29	Very low	36.2	Very low	109 Å²	109	128.8 Å²	128.8	71%	0.708	76%	0.763	S	S	*	*			trans	-74.7	120	159.4	30.3	-30.8	0	0	0	108.8	H350	H350-P352 VanDerWaalsContact O-CD 3.3Å; H350-P352 WeakPolarHBondContact O-CD 3.26Å
353	S	27.2	Very low	34.2	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	78%	0.78	S	S	*	*			trans	-57	125.7	-175.3	-51.4	0	0	0	0	112.3	C355	S353-C355 PolarHBondContact O-N 2.98Å; S353-C355 VanDerWaalsContact O-N 3.09Å
354	P	31	Very low	32.7	Very low	108 Å²	108	129.5 Å²	129.5	70%	0.701	78%	0.776	S	S	*	*			trans	-76.4	100.4	180	29.4	-33.9	0	0	0	111.4	L356	P354-L356 PolarHBondContact O-N 3.05Å
355	C	26.7	Very low	32.3	Very low	124 Å²	124	132.7 Å²	132.7	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.9	161.1	-67.8	0	0	0	0	109.5	S353	S353-C355 PolarHBondContact O-N 2.98Å; S353-C355 VanDerWaalsContact O-N 3.09Å
356	L	29.9	Very low	31.9	Very low	162 Å²	162	134.1 Å²	134.1	85%	0.848	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-85.2	126.9	178.6	-69.3	168.5	0	0	0	111.5	P354	P354-L356 PolarHBondContact O-N 3.05Å
357	P	30.6	Very low	31.8	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-79.7	151.1	147.5	34.1	-30.5	0	0	0	110.1
358	P	36.6	Very low	31.7	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	79%	0.787	S	S	*	*			trans	-85.2	-179.5	-179.6	36	-37.1	0	0	0	113.9
359	D	31.8	Very low	31.4	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	79%	0.786	S	S	*	*			trans	75.1	79.4	158.5	-55.1	-31.5	0	0	0	120.4
360	A	30.5	Very low	31.2	Very low	90 Å²	90	137.1 Å²	137.1	74%	0.744	79%	0.789	S	S	*	*			trans	-160	137.7	134.7	0	0	0	0	0	111.3
361	P	32.8	Very low	31.1	Very low	135 Å²	135	136.2 Å²	136.2	88%	0.877	79%	0.79	S	S	*	*			trans	-84.9	143.9	-179	33.2	-34.5	0	0	0	113.4
362	V	29.7	Very low	31.3	Very low	142 Å²	142	136.3 Å²	136.3	86%	0.861	79%	0.79	S	S	*	*			trans	-111.6	137.2	171	-175.9	0	0	0	0	109.1
363	S	38.3	Very low	31.2	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	79%	0.794	S	S	*	*			trans	-77.5	147.8	-171.5	55.4	0	0	0	0	114.5	L365	S363-L365 PolarHBondContact O-N 2.98Å
364	D	34.6	Very low	31.2	Very low	126 Å²	126	142.2 Å²	142.2	67%	0.674	80%	0.801	S	S	*	*	S	Bend	trans	-62.6	91.5	175.5	-71.8	-78.8	0	0	0	114.1	K367	D364-K367 IonicContact OD1-NZ 3.6Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å
365	L	36.3	Very low	30.9	Very low	164 Å²	164	141.8 Å²	141.8	86%	0.859	81%	0.807	S	S	*	*			trans	-144.8	23.2	161.2	-155	61.6	0	0	0	114.7	S363	S363-L365 PolarHBondContact O-N 2.98Å
366	E	35.1	Very low	31	Very low	195 Å²	195	144.9 Å²	144.9	91%	0.911	81%	0.809	S	S	*	*			trans	-131.9	26.1	178.9	-115.1	167.7	-153.8	0	0	114.2
367	K	33.2	Very low	30.8	Very low	180 Å²	180	143.6 Å²	143.6	78%	0.783	81%	0.812	S	S	*	*			trans	-103	68.4	172.9	-72.5	174.4	-176	150.6	0	112.3	D364	D364-K367 IonicContact OD1-NZ 3.6Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å
368	A	31.3	Very low	30.5	Very low	80 Å²	80	141.1 Å²	141.1	66%	0.661	81%	0.806	S	S	*	*			trans	-153.2	144.3	164	0	0	0	0	0	111.8
369	N	26.6	Very low	30	Very low	150 Å²	150	145.6 Å²	145.6	80%	0.802	82%	0.817	S	S	*	*			trans	62.1	84.3	167.5	-53.1	-24.2	0	0	0	116.9
370	N	28.3	Very low	29.7	Very low	167 Å²	167	143.6 Å²	143.6	89%	0.893	82%	0.816	S	S	*	*				-165.5	107.8	118.3	-91.5	-32.4	0	0	0	110.9
371	L	28.9	Very low	29.5	Very low	169 Å²	169	143.3 Å²	143.3	89%	0.885	81%	0.813	S	S	*	*			trans	-140	157.5	165.2	-79.9	175	0	0	0	107.3
372	Q	29.5	Very low	29.2	Very low	177 Å²	177	145 Å²	145	83%	0.827	82%	0.815	S	S	*	*			trans	85.2	123.8	-165	-57.2	-176.5	-29.3	0	0	113.5
373	N	27	Very low	29.1	Very low	147 Å²	147	146.2 Å²	146.2	79%	0.786	81%	0.813	S	S	*	*			cis	-145	148	-6.2	-80.8	-39.7	0	0	0	110.1
374	E	26.3	Very low	28.5	Very low	190 Å²	190	147.4 Å²	147.4	89%	0.888	81%	0.811	S	S	*	*			trans	-88.8	153.2	158.9	-71.5	-162.6	141.6	0	0	111.3
375	A	26.1	Very low	28.1	Very low	99 Å²	99	148.2 Å²	148.2	82%	0.818	82%	0.816	S	S	*	*			trans	-154.8	71.6	165.5	0	0	0	0	0	112.1
376	Q	28	Very low	27.6	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	81%	0.807	S	S	*	*			trans	21.7	119.4	148.6	-62.5	173.8	-27.2	0	0	120.5
377	C	24.6	Very low	27.4	Very low	136 Å²	136	144 Å²	144	92%	0.919	81%	0.806	S	S	*	*				-174.6	139.3	123.5	-153.3	0	0	0	0	109.9
378	G	25	Very low	27	Very low	56 Å²	56	139.6 Å²	139.6	58%	0.577	80%	0.803	S	S	*	*			cis	159.6	85.2	-9	0	0	0	0	0	113.8
379	H	26.7	Very low	26.7	Very low	204 Å²	204	146.9 Å²	146.9	94%	0.944	81%	0.813	S	S	*	*			trans	62.8	166.5	176.5	-58.1	-78.3	0	0	0	115.7
380	S	25.5	Very low	26.7	Very low	116 Å²	116	149.9 Å²	149.9	81%	0.811	82%	0.819	S	S	*	*			cis	-131.2	176.2	2.7	60.3	0	0	0	0	112.4
381	A	26.8	Very low	26.5	Very low	84 Å²	84	149.9 Å²	149.9	69%	0.694	81%	0.814	S	S	*	*			trans	-90.9	169.1	177.1	0	0	0	0	0	112.7
382	D	25.7	Very low	26.3	Very low	170 Å²	170	148.5 Å²	148.5	91%	0.909	81%	0.813	S	S	*	*			trans	-160.9	161.6	130.4	-97	-27.8	0	0	0	110.6
383	M	26.6	Very low	26.2	Very low	167 Å²	167	147.6 Å²	147.6	82%	0.823	81%	0.808	S	S	*	*			trans	-113.6	156.3	175.5	-62.4	-165.1	65.7	0	0	109.7
384	D	27.5	Very low	26.5	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	81%	0.807	S	S	*	*				176.5	165.9	82.5	-111.8	-22.5	0	0	0	112.4
385	N	25.7	Very low	26.4	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	80%	0.801	S	S	*	*			trans	62	139.7	161.8	-76.4	-37.4	0	0	0	118.6
386	A	25.8	Very low	26.6	Very low	81 Å²	81	146.2 Å²	146.2	67%	0.669	81%	0.806	S	S	*	*			cis	75.9	140.3	23	0	0	0	0	0	115.8
387	E	30.2	Very low	26.6	Very low	191 Å²	191	146 Å²	146	89%	0.893	81%	0.805	S	S	*	*			cis	-100.6	-136.5	-8.3	-62.1	-169.4	86.5	0	0	110.4
388	A	25.5	Very low	26.7	Very low	87 Å²	87	149.6 Å²	149.6	72%	0.719	81%	0.805	S	S	*	*			cis	-154.1	166.6	0.3	0	0	0	0	0	111.5
389	W	25	Very low	26.7	Very low	233 Å²	233	154.5 Å²	154.5	88%	0.883	82%	0.817	S	S	*	*			trans	-97.2	157.1	-176.3	-48.8	-19.3	0	0	0	114.6
390	K	25.6	Very low	26.9	Very low	212 Å²	212	152.6 Å²	152.6	92%	0.922	81%	0.814	S	S	*	*				-145.3	139.5	126.1	-72.8	-155.9	177.6	-175.3	0	111
391	Q	25.5	Very low	26.9	Very low	167 Å²	167	151 Å²	151	78%	0.78	80%	0.803	S	S	*	*			trans	-98.2	152.9	170.3	-68.4	176.1	-37.8	0	0	110.8
392	T	24.6	Very low	26.8	Very low	141 Å²	141	153.3 Å²	153.3	87%	0.865	81%	0.808	S	S	*	*			trans	-152.6	128.7	151.4	-46.3	0	0	0	0	109.2
393	E	26	Very low	27	Very low	157 Å²	157	156.3 Å²	156.3	73%	0.734	81%	0.807	S	S	*	*			trans	-95	-176	178.2	-76.4	-74.4	157	0	0	110.4
394	P	34.6	Very low	27.2	Very low	116 Å²	116	155.3 Å²	155.3	75%	0.753	80%	0.803	S	S	*	*				-117.8	176.7	-96.3	32	-11.6	0	0	0	112.9
395	A	24.2	Very low	27.5	Very low	92 Å²	92	154.3 Å²	154.3	76%	0.76	80%	0.801	S	S	*	*			trans	-142.4	124.5	172.8	0	0	0	0	0	112.5
396	E	30	Very low	28	Very low	199 Å²	199	153.3 Å²	153.3	93%	0.93	80%	0.803	S	S	*	*			trans	-71.2	135.2	174	-56.4	-179.2	122	0	0	111.4
397	Q	26.6	Very low	28.2	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	81%	0.813	S	S	*	*			trans	-137.3	128.5	164	-68.6	-164.9	-1.8	0	0	112.3
398	K	28.7	Very low	28.5	Very low	212 Å²	212	158.9 Å²	158.9	92%	0.922	82%	0.815	S	S	*	*			trans	-72.5	126.8	174.4	-69.4	173.2	177.2	171.4	0	110.2
399	L	24.6	Very low	28.7	Very low	158 Å²	158	160.4 Å²	160.4	83%	0.827	82%	0.82	S	S	*	*			trans	-96.1	98.2	173.9	-155.8	82.1	0	0	0	111.8
400	N	29.4	Very low	29.1	Very low	165 Å²	165	154 Å²	154	88%	0.882	82%	0.817	S	S	*	*			trans	-92.9	106.3	162.5	-88.1	-9.9	0	0	0	108.9
401	S	26	Very low	29.8	Very low	82 Å²	82	148.6 Å²	148.6	57%	0.573	81%	0.812	S	S	*	*			trans	-112.7	92.6	177	59.5	0	0	0	0	111.6
402	V	25.4	Very low	30	Very low	133 Å²	133	148.9 Å²	148.9	81%	0.806	82%	0.818	S	S	*	*			trans	-87.2	130.2	169.6	176.9	0	0	0	0	108.8
403	W	30.3	Very low	30.4	Very low	232 Å²	232	151.5 Å²	151.5	88%	0.879	82%	0.82	S	S	*	*			trans	-87.6	140.2	178.7	-70.3	89.5	0	0	0	111.9
404	I	31.2	Very low	30.8	Very low	146 Å²	146	152.3 Å²	152.3	75%	0.749	82%	0.824	S	S	*	*			trans	-127.2	128.3	169.6	-64	176.6	0	0	0	107.7
405	V	32.1	Very low	30.6	Very low	108 Å²	108	152 Å²	152	66%	0.655	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-79.2	132.5	171.5	179.4	0	0	0	0	108.6	Q407	V405-Q407 PolarHBondContact O-N 2.98Å
406	P	36.4	Very low	31.1	Very low	123 Å²	123	151.7 Å²	151.7	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.2	-165.6	-25.6	35.2	0	0	0	115.2
407	Q	31.1	Very low	31.9	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88	142.1	161.5	-158.1	170.6	15.6	0	0	108.8	V405 S409	V405-Q407 PolarHBondContact O-N 2.98Å; Q407-S409 PolarHBondContact O-N 2.83Å
408	Q	36.9	Very low	33.2	Very low	203 Å²	203	146.1 Å²	146.1	95%	0.949	81%	0.808	S	S	*	*			trans	-71.1	115.9	-166.7	-68.7	-178.3	-55.6	0	0	113.9
409	S	27.9	Very low	35.4	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	80%	0.803	S	S	*	*			trans	-114.5	151.8	152.9	55	0	0	0	0	109.7	Q407	Q407-S409 PolarHBondContact O-N 2.83Å
410	A	35.2	Very low	38.1	Very low	99 Å²	99	136 Å²	136	82%	0.818	77%	0.77	S	S	*	*			trans	-83.7	144.1	-167.6	0	0	0	0	0	114.2
411	A	38.3	Very low	40.6	Very low	98 Å²	98	130.8 Å²	130.8	81%	0.81	75%	0.745	S	S	*	*			trans	59.2	84.2	157.9	0	0	0	0	0	118.5
412	L	31.3	Very low	43.1	Very low	173 Å²	173	129.6 Å²	129.6	91%	0.906	74%	0.736	S	S	*	*				-150.1	141.6	122.3	-98.3	169	0	0	0	107.3	E414	L412-E414 PolarHBondContact O-N 3.49Å
413	E	33.5	Very low	45.8	Very low	196 Å²	196	132 Å²	132	92%	0.916	74%	0.735	S	S	*	*			trans	-86.2	98	177.3	-72.3	-169.1	140.5	0	0	110.1
414	E	33.3	Very low	48.5	Very low	175 Å²	175	124.6 Å²	124.6	82%	0.818	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.9	139	159	-75.4	-80.7	125.4	0	0	109.4	L412	L412-E414 PolarHBondContact O-N 3.49Å
415	P	30.1	Very low	51.5	Low	110 Å²	110	117.6 Å²	117.6	71%	0.714	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61.2	141.9	175.9	27.1	-33.9	0	0	0	110.4
416	A	34.7	Very low	54.5	Low	85 Å²	85	112.5 Å²	112.5	70%	0.702	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.4	132	177.6	0	0	0	0	0	110	D418	A416-D418 PolarHBondContact O-N 3.36Å
417	P	46.3	Very low	57.4	Low	115 Å²	115	106.7 Å²	106.7	75%	0.747	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-60.1	131.5	-176.6	24.6	-34.4	0	0	0	110	T419	P417-T419 PolarHBondContact O-N 2.76Å
418	D	54.8	Low	60.5	Low	152 Å²	152	98 Å²	98	81%	0.813	57%	0.566	S	S	*	*			trans	-45	115.1	-172	-70.1	-57.8	0	0	0	111.5	A416 I420	A416-D418 PolarHBondContact O-N 3.36Å; D418-I420 PolarHBondContact O-N 2.8Å
419	T	74.1	Confident	63.5	Low	132 Å²	132	88.9 Å²	88.9	81%	0.81	52%	0.523	S	S	*	.			trans	-69.2	92.7	-172.7	46.9	0	0	0	0	110.4	P417 P421	P417-T419 PolarHBondContact O-N 2.76Å; T419-P421 WeakPolarHBondContact O-CD 3.48Å; T419-P421 VanDerWaalsContact O-N 3.13Å
420	I	81.1	Confident	66.9	Low	24 Å²	24	83.3 Å²	83.3	12%	0.123	48%	0.484	C	S	.	.			trans	-46.8	116.1	-176.5	-60	170.3	0	0	0	109.7	V338 D418 E424	V338-I420 HydrophobicContact CB-CD1 4.3Å; V338-I420 HydrophobicContact CG1-CD1 4.46Å; V338-I420 HydrophobicContact CG2-CD1 3.89Å; D418-I420 PolarHBondContact O-N 2.8Å; I420-E424 HydrophobicContact CG2-CB 4.09Å
421	P	83.1	Confident	69.9	Low	56 Å²	56	78.6 Å²	78.6	36%	0.364	45%	0.445	S	S	.	.			trans	-56	142.6	-179.2	-30.8	38.5	0	0	0	112.1	T419 K423 E424 S425	T419-P421 WeakPolarHBondContact O-CD 3.48Å; T419-P421 VanDerWaalsContact O-N 3.13Å; P421-K423 PolarHBondContact O-N 3Å; P421-E424 WeakPolarHBondContact CG-OE1 3.36Å; P421-E424 PolarHBondContact O-N 3.31Å; P421-S425 PolarHBondContact O-N 3.06Å; P421-S425 VanDerWaalsContact O-N 3.08Å
422	P	78.6	Confident	72.8	Confident	58 Å²	58	73.9 Å²	73.9	38%	0.377	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.2	-176	-28.6	36.6	0	0	0	115.7	G508 I510	P422-G508 WeakPolarHBondContact CG-O 3.48Å; P422-I510 HydrophobicContact CB-CG2 4.03Å; P422-I510 HydrophobicContact CG-CG2 4.17Å
423	K	81.1	Confident	76	Confident	183 Å²	183	65.8 Å²	65.8	80%	0.796	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-35.1	172.9	-66.1	-177	178.5	179.7	0	112.9	P421	P421-K423 PolarHBondContact O-N 3Å
424	E	88	Confident	79.1	Confident	76 Å²	76	56.6 Å²	56.6	36%	0.355	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-24.2	-177.4	-70.1	161.3	-130	0	0	112.5	R341 I420 P421 G426	R341-E424 WeakPolarHBondContact CA-O 3.49Å; R341-E424 WeakPolarHBondContact CB-O 3.38Å; R341-E424 VanDerWaalsContact CG-O 3.29Å; R341-E424 WeakPolarHBondContact CG-O 3.4Å; I420-E424 HydrophobicContact CG2-CB 4.09Å; P421-E424 WeakPolarHBondContact CG-OE1 3.36Å; P421-E424 PolarHBondContact O-N 3.31Å; E424-G426 PolarHBondContact O-N 3.16Å
425	S	93.2	Very high	82.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.283	C	S	.	.			trans	-41.5	127.8	170.1	169.8	0	0	0	0	112.3	R243 H337 P421 V427 I509	R243-S425 WeakPolarHBondContact CD-O 3.45Å; H337-S425 WeakPolarHBondContact ND1-CB 3.34Å; H337-S425 PolarHBondContact ND1-OG 3.45Å; P421-S425 PolarHBondContact O-N 3.06Å; P421-S425 VanDerWaalsContact O-N 3.08Å; S425-V427 PolarHBondContact O-N 2.96Å; S425-V427 PolarHBondContact OG-N 2.85Å; S425-V427 VanDerWaalsContact OG-N 3.13Å; S425-V427 PolarHBondContact OG-O 2.76Å; S425-I509 VanDerWaalsContact OG-CG2 3.27Å; S425-I509 WeakPolarHBondContact OG-CG2 3.36Å
426	G	95.7	Very high	85.2	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-67	-12	173.4	0	0	0	0	0	114.5	R243 I244 H336 H337 S340 E424	R243-G426 CarbonylContact C-O 3.49Å; R243-G426 VanDerWaalsContact CA-O 3.31Å; R243-G426 WeakPolarHBondContact CA-O 3.09Å; R243-G426 WeakPolarHBondContact CB-O 3.39Å; I244-G426 PolarHBondContact N-O 2.94Å; H336-G426 WeakPolarHBondContact O-CA 3.37Å; H337-G426 PolarHBondContact O-N 3.03Å; H337-G426 VanDerWaalsContact O-N 3.09Å; S340-G426 WeakPolarHBondContact O-CA 3.37Å; E424-G426 PolarHBondContact O-N 3.16Å
427	V	97.4	Very high	88	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.5	171.2	-179.6	0	0	0	0	109.3	I244 L333 H336 H337 S425 Y429 I509	I244-V427 HydrophobicContact CB-CG2 4.22Å; L333-V427 HydrophobicContact CD2-CG2 4.17Å; L333-V427 HydrophobicContact CG-CG1 4.38Å; L333-V427 HydrophobicContact CG-CG2 4.06Å; L333-V427 WeakPolarHBondContact O-CG2 3.33Å; H336-V427 HydrophobicContact CB-CG2 4.04Å; H337-V427 HydrophobicContact CB-CG2 4.16Å; S425-V427 PolarHBondContact O-N 2.96Å; S425-V427 PolarHBondContact OG-N 2.85Å; S425-V427 VanDerWaalsContact OG-N 3.13Å; S425-V427 PolarHBondContact OG-O 2.76Å; V427-Y429 WeakPolarHBondContact CG1-O 3.47Å; V427-I509 HydrophobicContact CB-CD1 4.33Å; V427-I509 HydrophobicContact CG1-CD1 3.67Å
428	A	97.1	Very high	90.1	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-34.3	176.5	0	0	0	0	0	113.1	R243 I244 F284 H511	R243-A428 HydrophobicContact CB-CB 3.76Å; I244-A428 PolarHBondContact O-N 2.71Å; F284-A428 HydrophobicContact CD1-CB 4.36Å; F284-A428 HydrophobicContact CE1-CB 3.83Å; A428-H511 VanDerWaalsContact O-CB 3.31Å; A428-H511 WeakPolarHBondContact O-CB 3.49Å
429	Y	98.6	Very high	92	Very high	10 Å²	10	34.2 Å²	34.2	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.6	-178.9	-65.8	-86	0	0	0	111.6	I244 F245 F246 F284 V427 Y461 H511 Y513 A566 M569	I244-Y429 PolarHBondContact O-N 2.85Å; F245-Y429 AromaticContact CD2-CD2 3.4Å; F245-Y429 HydrophobicContact CD2-CD2 3.4Å; F245-Y429 HydrophobicContact CD2-CE2 4.26Å; F245-Y429 AromaticContact CD2-CG 3.67Å; F245-Y429 HydrophobicContact CD2-CG 3.67Å; F245-Y429 HydrophobicContact CE2-CD1 4.18Å; F245-Y429 AromaticContact CE2-CD2 3.66Å; F245-Y429 HydrophobicContact CE2-CD2 3.66Å; F245-Y429 HydrophobicContact CE2-CE2 4.37Å; F245-Y429 AromaticContact CE2-CG 3.57Å; F245-Y429 HydrophobicContact CE2-CG 3.57Å; F245-Y429 HydrophobicContact CG-CD2 4.34Å; F245-Y429 HydrophobicContact CG-CG 4.48Å; F245-Y429 HydrophobicContact CZ-CG 4.31Å; F246-Y429 PolarHBondContact N-O 2.83Å; F284-Y429 HydrophobicContact CE1-CD2 4.17Å; F284-Y429 HydrophobicContact CE1-CE2 4.03Å; F284-Y429 HydrophobicContact CZ-CD2 4.47Å; F284-Y429 AromaticContact CZ-CE2 3.97Å; F284-Y429 HydrophobicContact CZ-CE2 3.97Å; V427-Y429 WeakPolarHBondContact CG1-O 3.47Å; Y429-Y461 HydrophobicContact CD1-CD1 4.17Å; Y429-Y461 AromaticContact CD1-CE1 3.92Å; Y429-Y461 HydrophobicContact CD1-CE1 3.92Å; Y429-Y461 AromaticContact CE1-CD1 3.88Å; Y429-Y461 HydrophobicContact CE1-CD1 3.88Å; Y429-Y461 AromaticContact CE1-CD2 3.89Å; Y429-Y461 HydrophobicContact CE1-CD2 3.89Å; Y429-Y461 AromaticContact CE1-CE1 3.96Å; Y429-Y461 HydrophobicContact CE1-CE1 3.96Å; Y429-Y461 AromaticContact CE1-CE2 4Å; Y429-Y461 HydrophobicContact CE1-CE2 4Å; Y429-Y461 AromaticContact CE1-CG 3.82Å; Y429-Y461 HydrophobicContact CE1-CG 3.82Å; Y429-H511 HydrophobicContact CD1-CB 3.67Å; Y429-H511 HydrophobicContact CE1-CB 3.93Å; Y429-H511 AromaticContact CE1-CD2 3.99Å; Y429-H511 AromaticContact CE1-CG 3.81Å; Y429-H511 HydrophobicContact CG-CB 4.41Å; Y429-Y513 HydrophobicContact CD1-CE2 4.49Å; Y429-A566 HydrophobicContact CE2-CB 4.19Å; Y429-M569 VanDerWaalsContact OH-CB 3.28Å; Y429-M569 WeakPolarHBondContact OH-CB 3.5Å; Y429-M569 WeakPolarHBondContact OH-CG 3.36Å
430	Y	98.8	Very high	92.9	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	160.2	173.1	-95.2	0	0	0	109.3	F246 Y315 L333 D432 I503 H511 S512 Y513	F246-Y430 HydrophobicContact CB-CD2 4.3Å; F246-Y430 AromaticContact CD1-CD2 3.57Å; F246-Y430 HydrophobicContact CD1-CD2 3.57Å; F246-Y430 AromaticContact CD1-CE2 3.72Å; F246-Y430 HydrophobicContact CD1-CE2 3.72Å; F246-Y430 HydrophobicContact CE1-CD2 4.26Å; F246-Y430 AromaticContact CE1-CE2 3.96Å; F246-Y430 HydrophobicContact CE1-CE2 3.96Å; F246-Y430 HydrophobicContact CG-CD2 4.18Å; F246-Y430 WeakPolarHBondContact O-CA 3.21Å; Y315-Y430 PolarHBondContact OH-OH 3.49Å; L333-Y430 HydrophobicContact CD1-CD2 3.32Å; L333-Y430 HydrophobicContact CD1-CE2 4.08Å; L333-Y430 HydrophobicContact CD1-CG 3.98Å; Y430-D432 HydrophobicContact CE1-CB 3.84Å; Y430-I503 HydrophobicContact CD1-CB 4.48Å; Y430-I503 HydrophobicContact CD1-CG1 4.48Å; Y430-I503 HydrophobicContact CD2-CG1 4.36Å; Y430-I503 HydrophobicContact CD2-CG2 4.48Å; Y430-I503 HydrophobicContact CE1-CG1 4.35Å; Y430-I503 HydrophobicContact CE2-CG1 4.17Å; Y430-I503 HydrophobicContact CG-CG1 4.49Å; Y430-I503 HydrophobicContact CG-CG2 4.15Å; Y430-H511 PolarHBondContact N-O 3.4Å; Y430-S512 WeakPolarHBondContact CD1-OG 3.25Å; Y430-S512 WeakPolarHBondContact O-CA 3.21Å; Y430-Y513 PolarHBondContact O-N 2.97Å
431	V	98.9	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.2	174.1	-170.9	0	0	0	0	110.7	F245 F246 L247 S248 L433 M444 Y513 L515 M562	F245-V431 HydrophobicContact CE1-CG2 4.36Å; F245-V431 HydrophobicContact CZ-CG2 4.2Å; F246-V431 PolarHBondContact O-N 3.38Å; L247-V431 WeakPolarHBondContact CA-O 3.37Å; L247-V431 HydrophobicContact CD1-CB 3.75Å; L247-V431 HydrophobicContact CD1-CG1 4.08Å; S248-V431 PolarHBondContact N-O 2.7Å; V431-L433 HydrophobicContact CG1-CD2 3.88Å; V431-M444 HydrophobicContact CG1-CE 4.05Å; V431-M444 HydrophobicContact CG2-CE 4.48Å; V431-Y513 HydrophobicContact CG2-CD2 4.24Å; V431-L515 HydrophobicContact CG1-CB 4.2Å; V431-M562 HydrophobicContact CB-SD 4.44Å; V431-M562 HydrophobicContact CG1-SD 3.85Å; V431-M562 HydrophobicContact CG2-SD 4.39Å
432	D	98.9	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.3	177	-174.7	7.6	0	0	0	108.6	N312 Y430 H434 Y513 T514 L515	N312-D432 PolarHBondContact ND2-OD2 3.37Å; Y430-D432 HydrophobicContact CE1-CB 3.84Å; D432-H434 PolarHBondContact O-CD2 3.04Å; D432-H434 IonicContact OD1-CD2 2.82Å; D432-H434 IonicContact OD1-CE1 3.67Å; D432-H434 IonicContact OD1-NE2 2.82Å; D432-H434 PolarHBondContact OD1-NE2 3.4Å; D432-H434 IonicContact OD2-CD2 2.74Å; D432-H434 IonicContact OD2-CE1 3.11Å; D432-H434 IonicContact OD2-NE2 2.94Å; D432-H434 PolarHBondContact OD2-NE2 2.99Å; D432-Y513 PolarHBondContact N-O 3.48Å; D432-T514 CarbonylContact O-C 3.51Å; D432-T514 VanDerWaalsContact O-CA 3.3Å; D432-T514 WeakPolarHBondContact O-CA 3.28Å; D432-L515 PolarHBondContact O-N 3.08Å
433	L	98.9	Very high	95.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.4	-169.7	-57.5	-179.1	0	0	0	113.1	L247 S248 S258 V261 F262 V431 L515 M562	L247-L433 HydrophobicContact CD1-CD1 3.9Å; L247-L433 HydrophobicContact CD1-CD2 4.01Å; L247-L433 HydrophobicContact CD1-CG 3.82Å; L247-L433 HydrophobicContact CD2-CD1 4.39Å; L247-L433 HydrophobicContact CG-CD1 4.28Å; S248-L433 WeakPolarHBondContact O-CB 3.38Å; S248-L433 WeakPolarHBondContact O-CG 3.41Å; S248-L433 PolarHBondContact O-N 3.01Å; S258-L433 WeakPolarHBondContact CB-O 3.27Å; V261-L433 HydrophobicContact CB-CD1 4.11Å; V261-L433 HydrophobicContact CG1-CD1 3.84Å; V261-L433 HydrophobicContact CG1-CD2 3.91Å; V261-L433 HydrophobicContact CG1-CG 4.49Å; F262-L433 HydrophobicContact CB-CD1 3.85Å; F262-L433 HydrophobicContact CD2-CD1 4.36Å; V431-L433 HydrophobicContact CG1-CD2 3.88Å; L433-L515 HydrophobicContact CD2-CB 3.64Å; L433-L515 HydrophobicContact CD2-CD1 3.91Å; L433-L515 HydrophobicContact CD2-CD2 4.46Å; L433-L515 HydrophobicContact CD2-CG 4.21Å; L433-M562 HydrophobicContact CD2-CE 4.27Å; L433-M562 HydrophobicContact CD2-SD 4.32Å
434	H	98.8	Very high	96.1	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	165.2	-165.7	-71	-103.8	0	0	0	113.7	V251 H252 E255 N312 D432 T514 L515 E516 C517	V251-H434 WeakPolarHBondContact CG1-CE1 3.49Å; H252-H434 AromaticContact CE1-CE1 3.08Å; H252-H434 PolarHBondContact CE1-CE1 2.97Å; H252-H434 AromaticContact CE1-ND1 3.01Å; H252-H434 PolarHBondContact CE1-ND1 3.15Å; H252-H434 AromaticContact ND1-CE1 3.4Å; H252-H434 PolarHBondContact ND1-CE1 2.86Å; H252-H434 AromaticContact ND1-ND1 3.06Å; H252-H434 PolarHBondContact ND1-ND1 2.8Å; E255-H434 WeakPolarHBondContact OE2-CB 3.39Å; E255-H434 IonicContact OE2-CG 3.56Å; E255-H434 IonicContact OE2-ND1 2.77Å; E255-H434 PolarHBondContact OE2-ND1 3.1Å; N312-H434 PolarHBondContact ND2-CE1 3.05Å; N312-H434 PolarHBondContact ND2-NE2 3.13Å; D432-H434 PolarHBondContact O-CD2 3.04Å; D432-H434 IonicContact OD1-CD2 2.82Å; D432-H434 IonicContact OD1-CE1 3.67Å; D432-H434 IonicContact OD1-NE2 2.82Å; D432-H434 PolarHBondContact OD1-NE2 3.4Å; D432-H434 IonicContact OD2-CD2 2.74Å; D432-H434 IonicContact OD2-CE1 3.11Å; D432-H434 IonicContact OD2-NE2 2.94Å; D432-H434 PolarHBondContact OD2-NE2 2.99Å; H434-T514 HydrophobicContact CB-CG2 4.15Å; H434-T514 WeakPolarHBondContact CD2-CG2 3.33Å; H434-L515 WeakPolarHBondContact CA-O 3.47Å; H434-L515 WeakPolarHBondContact CB-O 3.24Å; H434-L515 PolarHBondContact N-O 3.03Å; H434-E516 HydrophobicContact CB-CG 4.38Å; H434-E516 WeakPolarHBondContact CB-OE2 3.48Å; H434-C517 PolarHBondContact O-N 3.06Å
435	G	97.1	Very high	96.6	Very high	3 Å²	3	14 Å²	14	3%	0.031	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.8	-175.4	0	0	0	0	0	113.8	E255 C517 Y519	E255-G435 PolarHBondContact OE2-N 3.41Å; G435-C517 CarbonylContact C-O 3.42Å; G435-C517 WeakPolarHBondContact CA-O 3.33Å; G435-Y519 PolarHBondContact O-OH 3.13Å
436	H	95.2	Very high	96.8	Very high	38 Å²	38	14 Å²	14	18%	0.176	7%	0.069	C	C	.	.			trans	-111.2	99.7	-163.8	-166.7	-80.6	0	0	0	115	S438 K439 F443 E516 C517 N518	H436-S438 PolarHBondContact O-N 2.79Å; H436-K439 WeakPolarHBondContact CE1-CB 3.47Å; H436-K439 PolarHBondContact CE1-N 2.93Å; H436-K439 WeakPolarHBondContact ND1-CB 3.41Å; H436-K439 PolarHBondContact ND1-N 2.77Å; H436-K439 VanDerWaalsContact ND1-N 3.1Å; H436-F443 HydrophobicContact CB-CZ 4.12Å; H436-F443 AromaticContact CG-CZ 3.74Å; H436-F443 AromaticContact ND1-CZ 3.88Å; H436-E516 HydrophobicContact CB-CB 4.01Å; H436-E516 WeakPolarHBondContact CB-OE2 3.3Å; H436-E516 IonicContact CD2-OE1 3.84Å; H436-E516 IonicContact CD2-OE2 3.52Å; H436-E516 PolarHBondContact CD2-OE2 3.41Å; H436-E516 IonicContact CG-OE2 3.77Å; H436-C517 PolarHBondContact N-O 3.3Å; H436-N518 WeakPolarHBondContact O-CA 3.37Å; H436-N518 PolarHBondContact O-ND2 2.82Å
437	A	92	Very high	96.9	Very high	10 Å²	10	14 Å²	14	8%	0.083	7%	0.069	C	C	.	.	S	Bend	trans	-63	-40.5	-173.5	0	0	0	0	0	116	Q98 L101 N518 Y519	Q98-A437 VanDerWaalsContact OE1-CB 3.28Å; L101-A437 WeakPolarHBondContact CB-O 3.45Å; L101-A437 WeakPolarHBondContact CD1-O 3.46Å; L101-A437 HydrophobicContact CD2-CB 4.1Å; A437-N518 PolarHBondContact O-ND2 3.09Å; A437-Y519 HydrophobicContact CB-CD2 4.32Å; A437-Y519 HydrophobicContact CB-CE2 4.13Å
438	S	90.4	Very high	96.9	Very high	53 Å²	53	15.8 Å²	15.8	37%	0.371	8%	0.082	S	C	.	.	S	Bend	trans	-90.6	-27.7	-166.3	-83.5	0	0	0	0	116.4	Q104 H436	Q104-S438 PolarHBondContact NE2-O 2.79Å; Q104-S438 VanDerWaalsContact NE2-O 3.07Å; H436-S438 PolarHBondContact O-N 2.79Å
439	K	94.3	Very high	96.9	Very high	63 Å²	63	16.6 Å²	16.6	27%	0.274	8%	0.084	S	C	.	.	S	Bend	trans	-108.2	124.7	-177.8	-173.8	174.4	-177.4	173.9	0	108.6	H436 F443 G476 N518	H436-K439 WeakPolarHBondContact CE1-CB 3.47Å; H436-K439 PolarHBondContact CE1-N 2.93Å; H436-K439 WeakPolarHBondContact ND1-CB 3.41Å; H436-K439 PolarHBondContact ND1-N 2.77Å; H436-K439 VanDerWaalsContact ND1-N 3.1Å; K439-F443 HydrophobicContact CB-CE1 3.93Å; K439-F443 HydrophobicContact CB-CZ 4Å; K439-F443 HydrophobicContact CD-CD1 4.29Å; K439-F443 HydrophobicContact CD-CE1 3.78Å; K439-F443 HydrophobicContact CD-CE2 4.21Å; K439-F443 HydrophobicContact CD-CZ 3.74Å; K439-F443 HydrophobicContact CG-CD1 4.44Å; K439-F443 HydrophobicContact CG-CE1 3.76Å; K439-F443 HydrophobicContact CG-CZ 4.07Å; K439-G476 WeakPolarHBondContact CE-O 3.46Å; K439-G476 VanDerWaalsContact NZ-C 3.32Å; K439-G476 PolarHBondContact NZ-O 3.12Å; K439-N518 WeakPolarHBondContact O-CB 3.3Å; K439-N518 PolarHBondContact O-ND2 3.17Å; K439-N518 VanDerWaalsContact O-ND2 3.13Å
440	R	94.7	Very high	96.7	Very high	80 Å²	80	21.6 Å²	21.6	30%	0.302	12%	0.12	S	C	.	.			trans	-69.6	149.2	172.8	-70.3	170.7	61.1	175.6	5.9	111.3	Q104 T521 G522 R523	Q104-R440 HydrophobicContact CG-CG 4.25Å; R440-T521 WeakPolarHBondContact CA-O 3.44Å; R440-T521 WeakPolarHBondContact CB-O 3.46Å; R440-T521 HydrophobicContact CG-CG2 4.25Å; R440-G522 PolarHBondContact NE-O 2.98Å; R440-G522 PolarHBondContact NH2-O 3.22Å; R440-R523 HydrophobicContact CB-CG 3.53Å; R440-R523 PolarHBondContact O-NH1 3.48Å
441	G	95.3	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	107.3	164.2	-174.7	0	0	0	0	0	113.1	N518 T521 Y550	G441-N518 WeakPolarHBondContact O-CB 3.31Å; G441-N518 PolarHBondContact O-N 3.43Å; G441-T521 PolarHBondContact N-O 2.92Å; G441-Y550 WeakPolarHBondContact CA-OH 3.41Å
442	C	98.1	Very high	96.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.2	156.2	-55.2	0	0	0	0	106.6	F472 D473 E516 C517 Y550 V558	C442-F472 CarbonylContact O-C 3.44Å; C442-F472 WeakPolarHBondContact O-CA 3.16Å; C442-D473 PolarHBondContact O-N 3.31Å; C442-E516 WeakPolarHBondContact CA-O 3.37Å; C442-C517 PolarHBondContact SG-SG 3.09Å; C442-Y550 PolarHBondContact N-OH 2.77Å; C442-Y550 VanDerWaalsContact SG-CE2 3.55Å; C442-V558 HydrophobicContact CB-CG1 4.21Å; C442-V558 HydrophobicContact CB-CG2 4.08Å
443	F	98.4	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.9	-171.7	55.3	-92.3	0	0	0	111	H436 K439 Y445 D473 G476 E516	H436-F443 HydrophobicContact CB-CZ 4.12Å; H436-F443 AromaticContact CG-CZ 3.74Å; H436-F443 AromaticContact ND1-CZ 3.88Å; K439-F443 HydrophobicContact CB-CE1 3.93Å; K439-F443 HydrophobicContact CB-CZ 4Å; K439-F443 HydrophobicContact CD-CD1 4.29Å; K439-F443 HydrophobicContact CD-CE1 3.78Å; K439-F443 HydrophobicContact CD-CE2 4.21Å; K439-F443 HydrophobicContact CD-CZ 3.74Å; K439-F443 HydrophobicContact CG-CD1 4.44Å; K439-F443 HydrophobicContact CG-CE1 3.76Å; K439-F443 HydrophobicContact CG-CZ 4.07Å; F443-Y445 HydrophobicContact CD2-CD1 4.37Å; F443-Y445 HydrophobicContact CD2-CE1 4.01Å; F443-Y445 HydrophobicContact CE2-CD1 4.28Å; F443-Y445 AromaticContact CE2-CE1 3.58Å; F443-Y445 HydrophobicContact CE2-CE1 3.58Å; F443-Y445 HydrophobicContact CE2-CE2 4.46Å; F443-Y445 AromaticContact CE2-CZ 3.69Å; F443-D473 WeakPolarHBondContact CB-O 3.34Å; F443-G476 VanDerWaalsContact CD2-O 3.28Å; F443-G476 WeakPolarHBondContact CD2-O 3.5Å; F443-G476 WeakPolarHBondContact CG-O 3.33Å; F443-E516 HydrophobicContact CD2-CB 3.91Å; F443-E516 HydrophobicContact CE1-CB 4.28Å; F443-E516 HydrophobicContact CE2-CB 3.37Å; F443-E516 HydrophobicContact CE2-CG 3.92Å; F443-E516 HydrophobicContact CZ-CB 3.58Å; F443-E516 HydrophobicContact CZ-CG 4.42Å; F443-E516 PolarHBondContact N-O 3.29Å; F443-E516 PolarHBondContact O-N 3.43Å
444	M	98.4	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.9	177.2	-80.6	179	175.4	0	0	113.7	V431 Y461 P462 I465 F472 C477 N478 Y513 T514 L515 M562	V431-M444 HydrophobicContact CG1-CE 4.05Å; V431-M444 HydrophobicContact CG2-CE 4.48Å; M444-Y461 HydrophobicContact CE-CE1 4.13Å; M444-P462 HydrophobicContact CB-CG 4.37Å; M444-P462 HydrophobicContact SD-CB 4.27Å; M444-P462 HydrophobicContact SD-CG 3.79Å; M444-I465 HydrophobicContact CE-CD1 3.44Å; M444-I465 VanDerWaalsContact CE-CD1 3.44Å; M444-I465 HydrophobicContact SD-CD1 3.93Å; M444-F472 HydrophobicContact CB-CZ 4.09Å; M444-F472 HydrophobicContact CG-CE2 4.01Å; M444-F472 HydrophobicContact CG-CZ 3.8Å; M444-F472 HydrophobicContact SD-CZ 4.23Å; M444-C477 PolarHBondContact N-SG 2.79Å; M444-C477 CarbonylContact O-C 3.58Å; M444-C477 WeakPolarHBondContact O-CA 3.31Å; M444-C477 WeakPolarHBondContact O-CB 3.42Å; M444-N478 PolarHBondContact O-N 2.79Å; M444-Y513 HydrophobicContact SD-CD1 4.11Å; M444-Y513 HydrophobicContact SD-CD2 4.42Å; M444-Y513 HydrophobicContact SD-CG 3.92Å; M444-T514 CarbonylContact C-O 3.59Å; M444-T514 VanDerWaalsContact CA-O 3.29Å; M444-T514 WeakPolarHBondContact CA-O 3.21Å; M444-L515 HydrophobicContact CE-CB 4.19Å; M444-L515 HydrophobicContact CE-CD1 3.88Å; M444-L515 HydrophobicContact CE-CG 4.3Å; M444-L515 HydrophobicContact CG-CB 4.05Å; M444-L515 HydrophobicContact CG-CG 4.2Å; M444-M562 HydrophobicContact CE-CG 4.22Å; M444-M562 HydrophobicContact CE-SD 3.86Å
445	Y	98.5	Very high	96	Very high	24 Å²	24	33.1 Å²	33.1	9%	0.094	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.6	155.7	-61.6	-29.9	0	0	0	108.7	F443 N478 R500 Y513 T514 E516	F443-Y445 HydrophobicContact CD2-CD1 4.37Å; F443-Y445 HydrophobicContact CD2-CE1 4.01Å; F443-Y445 HydrophobicContact CE2-CD1 4.28Å; F443-Y445 AromaticContact CE2-CE1 3.58Å; F443-Y445 HydrophobicContact CE2-CE1 3.58Å; F443-Y445 HydrophobicContact CE2-CE2 4.46Å; F443-Y445 AromaticContact CE2-CZ 3.69Å; Y445-N478 WeakPolarHBondContact CA-O 3.49Å; Y445-N478 HydrophobicContact CD1-CB 3.67Å; Y445-N478 HydrophobicContact CE1-CB 3.86Å; Y445-R500 WeakPolarHBondContact O-CD 3.06Å; Y445-Y513 WeakPolarHBondContact O-CA 3.41Å; Y445-T514 PolarHBondContact N-O 3.46Å; Y445-T514 PolarHBondContact O-N 2.79Å; Y445-E516 HydrophobicContact CD2-CG 3.93Å; Y445-E516 WeakPolarHBondContact CD2-OE1 3.13Å; Y445-E516 HydrophobicContact CE2-CG 3.89Å; Y445-E516 WeakPolarHBondContact CE2-OE1 3.47Å
446	G	97.9	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.			trans	-115.5	-179.4	171.5	0	0	0	0	0	110.6	N478 R500	G446-N478 PolarHBondContact N-O 3.42Å; G446-N478 VanDerWaalsContact N-O 3.16Å; G446-R500 PolarHBondContact O-NH1 2.97Å
447	N	97.9	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.			trans	-86.1	171.9	178.8	-66.5	-45.3	0	0	0	111.9	F449 N458 M484 R500 Y504	N447-F449 HydrophobicContact CB-CE2 3.83Å; N447-F449 HydrophobicContact CB-CZ 4.05Å; N447-N458 PolarHBondContact O-ND2 2.94Å; N447-M484 HydrophobicContact CB-CE 3.97Å; N447-M484 HydrophobicContact CB-SD 4.05Å; N447-R500 PolarHBondContact ND2-O 2.98Å; N447-Y504 HydrophobicContact CB-CD1 4.11Å; N447-Y504 HydrophobicContact CB-CE1 4.47Å; N447-Y504 HydrophobicContact CB-CG 4.46Å; N447-Y504 WeakPolarHBondContact ND2-CB 3.32Å
448	S	97.4	Very high	96.3	Very high	38 Å²	38	32.8 Å²	32.8	27%	0.266	19%	0.185	S	C	.	.			trans	-113.1	127	-177.3	-168.5	0	0	0	0	109.3	F479 E481 M484	S448-F479 VanDerWaalsContact CA-O 3.28Å; S448-F479 WeakPolarHBondContact CA-O 3.49Å; S448-F479 WeakPolarHBondContact CB-O 3.47Å; S448-F479 PolarHBondContact OG-O 3.19Å; S448-E481 PolarHBondContact OG-N 2.79Å; S448-M484 VanDerWaalsContact CB-SD 3.56Å; S448-M484 PolarHBondContact N-SD 3.05Å
449	F	96	Very high	96.7	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.096	17%	0.17	C	C	.	.			trans	-118.7	148.8	-178.8	-62	-89.4	0	0	0	110.5	N447 T454 Q455 N458 Y504 I510 R601	N447-F449 HydrophobicContact CB-CE2 3.83Å; N447-F449 HydrophobicContact CB-CZ 4.05Å; F449-T454 HydrophobicContact CB-CG2 4.07Å; F449-T454 HydrophobicContact CD1-CG2 3.45Å; F449-T454 VanDerWaalsContact CD1-CG2 3.45Å; F449-T454 HydrophobicContact CD2-CG2 4.2Å; F449-T454 HydrophobicContact CE1-CG2 3.89Å; F449-T454 HydrophobicContact CG-CG2 3.63Å; F449-T454 HydrophobicContact CZ-CG2 4.46Å; F449-Q455 HydrophobicContact CB-CB 4.28Å; F449-N458 HydrophobicContact CD2-CB 4.16Å; F449-N458 WeakPolarHBondContact CD2-ND2 3.37Å; F449-N458 HydrophobicContact CE2-CB 4Å; F449-N458 WeakPolarHBondContact CE2-ND2 3.41Å; F449-Y504 HydrophobicContact CE1-CD2 4.24Å; F449-Y504 HydrophobicContact CE1-CE1 4.46Å; F449-Y504 AromaticContact CE1-CE2 3.42Å; F449-Y504 HydrophobicContact CE1-CE2 3.42Å; F449-Y504 VanDerWaalsContact CE1-CE2 3.42Å; F449-Y504 AromaticContact CE1-CZ 3.54Å; F449-Y504 WeakPolarHBondContact CE1-OH 3.22Å; F449-Y504 HydrophobicContact CZ-CD2 4.15Å; F449-Y504 AromaticContact CZ-CE2 3.77Å; F449-Y504 HydrophobicContact CZ-CE2 3.77Å; F449-I510 HydrophobicContact CE1-CB 4.46Å; F449-I510 HydrophobicContact CE1-CG2 3.99Å; F449-I510 HydrophobicContact CE2-CB 4.46Å; F449-I510 HydrophobicContact CZ-CB 3.98Å; F449-I510 HydrophobicContact CZ-CG2 4.02Å; F449-R601 PolarHBondContact O-NH2 3.11Å
450	S	94.1	Very high	96.9	Very high	114 Å²	114	27.9 Å²	27.9	80%	0.797	16%	0.157	S	C	*	.	S	Bend	trans	-80	-45.2	177.3	47.9	0	0	0	0	111.8	R601	S450-R601 VanDerWaalsContact O-CZ 3.27Å; S450-R601 PolarHBondContact O-NH1 3.1Å; S450-R601 PolarHBondContact O-NH2 3.31Å
451	D	95.2	Very high	97.1	Very high	74 Å²	74	24 Å²	24	40%	0.396	14%	0.142	S	C	.	.	S	Bend	trans	-58.9	144.1	168.1	169.6	40.7	0	0	0	111.3	S453 T454 Q455 R601	D451-S453 PolarHBondContact OD1-N 3.02Å; D451-S453 WeakPolarHBondContact OD2-CB 3.46Å; D451-S453 PolarHBondContact OD2-N 2.93Å; D451-T454 VanDerWaalsContact OD2-CB 3.22Å; D451-T454 WeakPolarHBondContact OD2-CB 3.25Å; D451-T454 PolarHBondContact OD2-N 3.42Å; D451-T454 PolarHBondContact OD2-OG1 3.02Å; D451-Q455 VanDerWaalsContact O-CB 3.3Å; D451-Q455 WeakPolarHBondContact O-CB 3.34Å; D451-Q455 PolarHBondContact O-N 3.21Å; D451-R601 PolarHBondContact O-NH2 3.34Å
452	E	95.8	Very high	97.2	Very high	45 Å²	45	24 Å²	24	21%	0.21	14%	0.142	C	C	.	.	H	α-helix	trans	-80.6	-35.9	177.1	-65.9	-165.5	141.2	0	0	112.5	Q455 V456 L594 R598 R601	E452-Q455 PolarHBondContact O-N 3.42Å; E452-V456 WeakPolarHBondContact O-CG2 3.42Å; E452-V456 PolarHBondContact O-N 3.24Å; E452-L594 HydrophobicContact CB-CD1 3.85Å; E452-R598 WeakPolarHBondContact OE1-CG 3.44Å; E452-R598 IonicContact OE1-NE 3.53Å; E452-R598 IonicContact OE2-CZ 3.37Å; E452-R598 IonicContact OE2-NE 2.78Å; E452-R598 PolarHBondContact OE2-NE 3.28Å; E452-R598 IonicContact OE2-NH2 3.49Å; E452-R598 PolarHBondContact OE2-NH2 3.22Å; E452-R601 VanDerWaalsContact CG-NH1 3.29Å; E452-R601 IonicContact OE1-NH1 3.97Å
453	S	95.5	Very high	97.2	Very high	77 Å²	77	24.8 Å²	24.8	54%	0.538	15%	0.146	S	C	.	.	H	α-helix	trans	-67	-47.9	-177.9	-172.4	0	0	0	0	111.1	D451 Q455 V456 E457	D451-S453 PolarHBondContact OD1-N 3.02Å; D451-S453 WeakPolarHBondContact OD2-CB 3.46Å; D451-S453 PolarHBondContact OD2-N 2.93Å; S453-Q455 VanDerWaalsContact C-N 3.31Å; S453-Q455 PolarHBondContact O-N 3.1Å; S453-V456 WeakPolarHBondContact O-CB 3.32Å; S453-V456 PolarHBondContact O-N 2.78Å; S453-V456 VanDerWaalsContact O-N 3.09Å; S453-E457 PolarHBondContact O-N 3.05Å
454	T	95.8	Very high	97.2	Very high	42 Å²	42	24.8 Å²	24.8	26%	0.258	15%	0.146	S	C	.	.	H	α-helix	trans	-60.2	-40.3	173.8	-55.2	0	0	0	0	111.7	F449 D451 V456 N458 I510	F449-T454 HydrophobicContact CB-CG2 4.07Å; F449-T454 HydrophobicContact CD1-CG2 3.45Å; F449-T454 VanDerWaalsContact CD1-CG2 3.45Å; F449-T454 HydrophobicContact CD2-CG2 4.2Å; F449-T454 HydrophobicContact CE1-CG2 3.89Å; F449-T454 HydrophobicContact CG-CG2 3.63Å; F449-T454 HydrophobicContact CZ-CG2 4.46Å; D451-T454 VanDerWaalsContact OD2-CB 3.22Å; D451-T454 WeakPolarHBondContact OD2-CB 3.25Å; D451-T454 PolarHBondContact OD2-N 3.42Å; D451-T454 PolarHBondContact OD2-OG1 3.02Å; T454-V456 VanDerWaalsContact C-N 3.33Å; T454-V456 PolarHBondContact O-N 3.21Å; T454-N458 WeakPolarHBondContact O-CB 3.33Å; T454-N458 PolarHBondContact O-N 3.42Å; T454-N458 VanDerWaalsContact O-N 3.07Å; T454-I510 HydrophobicContact CG2-CB 4.32Å; T454-I510 HydrophobicContact CG2-CG2 3.66Å
455	Q	97.3	Very high	97.2	Very high	11 Å²	11	24.8 Å²	24.8	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-33.3	175.6	-172.6	59.1	54.7	0	0	112.3	F449 D451 E452 S453 N458 M459 V597	F449-Q455 HydrophobicContact CB-CB 4.28Å; D451-Q455 VanDerWaalsContact O-CB 3.3Å; D451-Q455 WeakPolarHBondContact O-CB 3.34Å; D451-Q455 PolarHBondContact O-N 3.21Å; E452-Q455 PolarHBondContact O-N 3.42Å; S453-Q455 VanDerWaalsContact C-N 3.31Å; S453-Q455 PolarHBondContact O-N 3.1Å; Q455-N458 PolarHBondContact NE2-ND2 3.44Å; Q455-M459 HydrophobicContact CG-SD 4.22Å; Q455-M459 PolarHBondContact NE2-SD 3.22Å; Q455-M459 WeakPolarHBondContact O-CB 3.38Å; Q455-M459 VanDerWaalsContact O-CG 3.29Å; Q455-M459 WeakPolarHBondContact O-CG 3.49Å; Q455-M459 PolarHBondContact O-N 2.87Å; Q455-V597 HydrophobicContact CB-CG1 4.29Å; Q455-V597 HydrophobicContact CG-CG1 3.89Å; Q455-V597 HydrophobicContact CG-CG2 4Å
456	V	97.9	Very high	97.2	Very high	6 Å²	6	24 Å²	24	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-54.8	173.6	161.9	0	0	0	0	111.1	E452 S453 T454 N458 M459 L460 R590 M593 L594 V597	E452-V456 WeakPolarHBondContact O-CG2 3.42Å; E452-V456 PolarHBondContact O-N 3.24Å; S453-V456 WeakPolarHBondContact O-CB 3.32Å; S453-V456 PolarHBondContact O-N 2.78Å; S453-V456 VanDerWaalsContact O-N 3.09Å; T454-V456 VanDerWaalsContact C-N 3.33Å; T454-V456 PolarHBondContact O-N 3.21Å; V456-N458 VanDerWaalsContact C-N 3.33Å; V456-N458 PolarHBondContact O-N 2.74Å; V456-M459 CarbonylContact O-C 3.57Å; V456-M459 PolarHBondContact O-N 3.07Å; V456-L460 WeakPolarHBondContact O-CB 3.31Å; V456-L460 PolarHBondContact O-N 3.15Å; V456-R590 HydrophobicContact CG1-CB 4.33Å; V456-R590 HydrophobicContact CG1-CG 4.34Å; V456-M593 HydrophobicContact CB-CG 4.28Å; V456-M593 HydrophobicContact CG1-CB 3.97Å; V456-M593 HydrophobicContact CG1-CG 4.03Å; V456-M593 HydrophobicContact CG2-CB 4.29Å; V456-M593 HydrophobicContact CG2-CG 4.1Å; V456-L594 HydrophobicContact CG2-CB 3.97Å; V456-L594 HydrophobicContact CG2-CD1 4.1Å; V456-V597 HydrophobicContact CG2-CG2 4.04Å
457	E	96.7	Very high	97.1	Very high	39 Å²	39	24.5 Å²	24.5	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-39.6	-178.7	-64.1	-57.5	108.9	0	0	111.9	S453 M459 L460 I510 H511 R590	S453-E457 PolarHBondContact O-N 3.05Å; E457-M459 VanDerWaalsContact C-N 3.27Å; E457-M459 PolarHBondContact O-N 3.29Å; E457-L460 WeakPolarHBondContact O-CB 3.29Å; E457-L460 PolarHBondContact O-N 3.05Å; E457-L460 WeakPolarHBondContact OE1-CD2 3.43Å; E457-I510 HydrophobicContact CB-CD1 3.86Å; E457-H511 PolarHBondContact O-CE1 2.83Å; E457-R590 WeakPolarHBondContact OE1-CD 3.29Å; E457-R590 WeakPolarHBondContact OE1-CG 3.32Å; E457-R590 IonicContact OE1-CZ 3.41Å; E457-R590 IonicContact OE1-NE 3.36Å; E457-R590 PolarHBondContact OE1-NE 3.06Å; E457-R590 IonicContact OE1-NH2 2.77Å; E457-R590 IonicContact OE2-CZ 3.46Å; E457-R590 IonicContact OE2-NE 3.04Å; E457-R590 PolarHBondContact OE2-NE 2.8Å; E457-R590 IonicContact OE2-NH2 3.61Å; E457-R590 PolarHBondContact OE2-NH2 2.66Å
458	N	97.3	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-35.8	171.7	166.5	39.9	0	0	0	113.1	N447 F449 T454 Q455 V456 P462 Y513	N447-N458 PolarHBondContact O-ND2 2.94Å; F449-N458 HydrophobicContact CD2-CB 4.16Å; F449-N458 WeakPolarHBondContact CD2-ND2 3.37Å; F449-N458 HydrophobicContact CE2-CB 4Å; F449-N458 WeakPolarHBondContact CE2-ND2 3.41Å; T454-N458 WeakPolarHBondContact O-CB 3.33Å; T454-N458 PolarHBondContact O-N 3.42Å; T454-N458 VanDerWaalsContact O-N 3.07Å; Q455-N458 PolarHBondContact NE2-ND2 3.44Å; V456-N458 VanDerWaalsContact C-N 3.33Å; V456-N458 PolarHBondContact O-N 2.74Å; N458-P462 WeakPolarHBondContact O-CD 3.27Å; N458-Y513 WeakPolarHBondContact O-CE1 3.27Å; N458-Y513 PolarHBondContact O-OH 3.39Å; N458-Y513 WeakPolarHBondContact OD1-CE1 3.49Å
459	M	98.3	Very high	96.9	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.059	14%	0.139	C	C	.	.	H	α-helix	trans	-89.7	-16.7	177.6	-68.6	-178	61.8	0	0	114	Q455 V456 E457 K463 F474 F479 M593 V597	Q455-M459 HydrophobicContact CG-SD 4.22Å; Q455-M459 PolarHBondContact NE2-SD 3.22Å; Q455-M459 WeakPolarHBondContact O-CB 3.38Å; Q455-M459 VanDerWaalsContact O-CG 3.29Å; Q455-M459 WeakPolarHBondContact O-CG 3.49Å; Q455-M459 PolarHBondContact O-N 2.87Å; V456-M459 CarbonylContact O-C 3.57Å; V456-M459 PolarHBondContact O-N 3.07Å; E457-M459 VanDerWaalsContact C-N 3.27Å; E457-M459 PolarHBondContact O-N 3.29Å; M459-K463 PolarHBondContact O-N 3.38Å; M459-F474 HydrophobicContact CE-CZ 3.91Å; M459-F479 HydrophobicContact CB-CE2 4.48Å; M459-F479 HydrophobicContact CB-CZ 4.38Å; M459-F479 HydrophobicContact CE-CD2 3.8Å; M459-F479 HydrophobicContact CE-CE2 3.89Å; M459-F479 HydrophobicContact CG-CD1 3.85Å; M459-F479 HydrophobicContact CG-CD2 3.67Å; M459-F479 HydrophobicContact CG-CE1 3.89Å; M459-F479 HydrophobicContact CG-CE2 3.71Å; M459-F479 HydrophobicContact CG-CG 3.75Å; M459-F479 HydrophobicContact CG-CZ 3.83Å; M459-F479 HydrophobicContact SD-CB 4.43Å; M459-F479 HydrophobicContact SD-CD2 3.82Å; M459-F479 HydrophobicContact SD-CE2 4.26Å; M459-F479 HydrophobicContact SD-CG 4.11Å; M459-M593 HydrophobicContact CB-CE 4.24Å; M459-M593 HydrophobicContact CB-CG 4.12Å; M459-M593 HydrophobicContact CB-SD 3.7Å; M459-M593 HydrophobicContact CE-SD 4.06Å; M459-V597 HydrophobicContact SD-CG2 3.85Å
460	L	98.1	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-49.7	-176.6	-168.6	62	0	0	0	111.6	V456 E457 K463 L464 M569 L586 L589 R590	V456-L460 WeakPolarHBondContact O-CB 3.31Å; V456-L460 PolarHBondContact O-N 3.15Å; E457-L460 WeakPolarHBondContact O-CB 3.29Å; E457-L460 PolarHBondContact O-N 3.05Å; E457-L460 WeakPolarHBondContact OE1-CD2 3.43Å; L460-K463 PolarHBondContact O-N 2.88Å; L460-K463 VanDerWaalsContact O-N 3.09Å; L460-L464 HydrophobicContact CG-CD1 4.42Å; L460-L464 PolarHBondContact O-N 3.22Å; L460-M569 HydrophobicContact CB-CE 4.49Å; L460-M569 HydrophobicContact CB-SD 3.88Å; L460-M569 HydrophobicContact CD2-CE 4.09Å; L460-M569 HydrophobicContact CD2-SD 3.77Å; L460-M569 HydrophobicContact CG-SD 3.69Å; L460-L586 HydrophobicContact CD1-CD1 3.84Å; L460-L586 HydrophobicContact CD2-CD1 3.87Å; L460-L586 HydrophobicContact CD2-CD2 4.22Å; L460-L586 HydrophobicContact CD2-CG 4.11Å; L460-L586 HydrophobicContact CG-CD1 3.97Å; L460-L589 HydrophobicContact CD1-CB 4.34Å; L460-L589 HydrophobicContact CD1-CD2 3.68Å; L460-L589 HydrophobicContact CD1-CG 3.58Å; L460-R590 HydrophobicContact CD1-CG 4.14Å; L460-R590 HydrophobicContact CD2-CG 3.7Å
461	Y	98.5	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-51.8	-179.4	173.5	-116.7	0	0	0	112.6	F245 Y429 M444 K463 L464 I465 Y513 M562 A565 A566 M569	F245-Y461 WeakPolarHBondContact CZ-OH 3.45Å; Y429-Y461 HydrophobicContact CD1-CD1 4.17Å; Y429-Y461 AromaticContact CD1-CE1 3.92Å; Y429-Y461 HydrophobicContact CD1-CE1 3.92Å; Y429-Y461 AromaticContact CE1-CD1 3.88Å; Y429-Y461 HydrophobicContact CE1-CD1 3.88Å; Y429-Y461 AromaticContact CE1-CD2 3.89Å; Y429-Y461 HydrophobicContact CE1-CD2 3.89Å; Y429-Y461 AromaticContact CE1-CE1 3.96Å; Y429-Y461 HydrophobicContact CE1-CE1 3.96Å; Y429-Y461 AromaticContact CE1-CE2 4Å; Y429-Y461 HydrophobicContact CE1-CE2 4Å; Y429-Y461 AromaticContact CE1-CG 3.82Å; Y429-Y461 HydrophobicContact CE1-CG 3.82Å; M444-Y461 HydrophobicContact CE-CE1 4.13Å; Y461-K463 VanDerWaalsContact C-N 3.28Å; Y461-K463 PolarHBondContact O-N 2.77Å; Y461-L464 WeakPolarHBondContact O-CB 3.42Å; Y461-L464 PolarHBondContact O-N 3.35Å; Y461-I465 HydrophobicContact CD1-CD1 4.38Å; Y461-I465 HydrophobicContact CE1-CD1 4Å; Y461-I465 HydrophobicContact CE2-CD1 4.45Å; Y461-I465 HydrophobicContact CE2-CG1 4.43Å; Y461-I465 WeakPolarHBondContact O-CG1 3.31Å; Y461-I465 PolarHBondContact O-N 2.78Å; Y461-Y513 HydrophobicContact CD1-CD2 4.08Å; Y461-Y513 AromaticContact CD1-CE2 3.48Å; Y461-Y513 HydrophobicContact CD1-CE2 3.48Å; Y461-Y513 VanDerWaalsContact CD1-CE2 3.48Å; Y461-Y513 AromaticContact CD1-CZ 3.97Å; Y461-Y513 HydrophobicContact CE1-CD2 4.2Å; Y461-Y513 HydrophobicContact CE1-CE2 4.02Å; Y461-M562 WeakPolarHBondContact OH-CG 3.35Å; Y461-M562 PolarHBondContact OH-O 2.89Å; Y461-A565 HydrophobicContact CD2-CB 3.94Å; Y461-A565 HydrophobicContact CE2-CB 3.72Å; Y461-A566 HydrophobicContact CE2-CB 4.21Å; Y461-M569 HydrophobicContact CD2-CG 3.69Å; Y461-M569 HydrophobicContact CG-CG 4.19Å
462	P	98.5	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-30.6	173.7	-28.1	37.5	0	0	0	115.1	M444 N458 I465 S466 F472 F474 F479 Y513	M444-P462 HydrophobicContact CB-CG 4.37Å; M444-P462 HydrophobicContact SD-CB 4.27Å; M444-P462 HydrophobicContact SD-CG 3.79Å; N458-P462 WeakPolarHBondContact O-CD 3.27Å; P462-I465 PolarHBondContact O-N 3.05Å; P462-S466 PolarHBondContact O-N 3.48Å; P462-F472 HydrophobicContact CB-CE1 4.08Å; P462-F472 HydrophobicContact CB-CZ 4.17Å; P462-F472 WeakPolarHBondContact O-CE1 3.42Å; P462-F474 HydrophobicContact CB-CD2 4.19Å; P462-F474 HydrophobicContact CB-CE2 4.31Å; P462-F479 HydrophobicContact CB-CZ 4.21Å; P462-F479 HydrophobicContact CG-CE1 4.22Å; P462-F479 HydrophobicContact CG-CZ 3.92Å; P462-Y513 HydrophobicContact CG-CD1 4.4Å; P462-Y513 HydrophobicContact CG-CE1 3.92Å
463	K	98.4	Very high	96.9	Very high	17 Å²	17	12.9 Å²	12.9	7%	0.074	8%	0.077	C	C	.	.	H	α-helix	trans	-71.7	-35.6	173.8	173.8	54.2	177.8	169.8	0	111.4	M459 L460 Y461 S466 L467 F474 E582 H583 L589 M593	M459-K463 PolarHBondContact O-N 3.38Å; L460-K463 PolarHBondContact O-N 2.88Å; L460-K463 VanDerWaalsContact O-N 3.09Å; Y461-K463 VanDerWaalsContact C-N 3.28Å; Y461-K463 PolarHBondContact O-N 2.77Å; K463-S466 WeakPolarHBondContact O-CB 3.48Å; K463-S466 PolarHBondContact O-N 2.86Å; K463-S466 VanDerWaalsContact O-N 3.14Å; K463-S466 PolarHBondContact O-OG 3.07Å; K463-L467 PolarHBondContact O-N 2.92Å; K463-F474 HydrophobicContact CB-CD2 3.79Å; K463-F474 HydrophobicContact CB-CE2 3.7Å; K463-F474 HydrophobicContact CB-CG 4.27Å; K463-F474 HydrophobicContact CB-CZ 4.11Å; K463-F474 HydrophobicContact CD-CD1 4.3Å; K463-F474 HydrophobicContact CD-CG 4.35Å; K463-E582 IonicContact NZ-OE1 3.59Å; K463-E582 PolarHBondContact NZ-OE1 2.96Å; K463-H583 WeakPolarHBondContact CE-NE2 3.39Å; K463-H583 PolarHBondContact NZ-NE2 3.29Å; K463-L589 HydrophobicContact CD-CD1 4.4Å; K463-L589 HydrophobicContact CG-CD1 3.64Å; K463-L589 HydrophobicContact CG-CD2 4.19Å; K463-L589 HydrophobicContact CG-CG 4.45Å; K463-M593 HydrophobicContact CB-CE 3.53Å; K463-M593 HydrophobicContact CG-CE 3.77Å
464	L	98.4	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-34.7	171.6	-67.4	169.7	0	0	0	113	L460 Y461 S466 L467 N468 A565 D568 M569 I578 L586 L589	L460-L464 HydrophobicContact CG-CD1 4.42Å; L460-L464 PolarHBondContact O-N 3.22Å; Y461-L464 WeakPolarHBondContact O-CB 3.42Å; Y461-L464 PolarHBondContact O-N 3.35Å; L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 3.27Å; L464-L467 HydrophobicContact CD2-CD1 4.09Å; L464-L467 PolarHBondContact O-N 3.22Å; L464-L467 VanDerWaalsContact O-N 3.15Å; L464-N468 PolarHBondContact O-N 3.41Å; L464-N468 PolarHBondContact O-ND2 2.87Å; L464-A565 HydrophobicContact CB-CB 3.86Å; L464-D568 HydrophobicContact CB-CB 4.38Å; L464-D568 HydrophobicContact CD1-CB 3.85Å; L464-D568 HydrophobicContact CD2-CB 3.92Å; L464-D568 HydrophobicContact CG-CB 4.27Å; L464-M569 HydrophobicContact CD1-CB 4.33Å; L464-M569 HydrophobicContact CD1-CG 3.59Å; L464-M569 HydrophobicContact CD1-SD 3.58Å; L464-M569 VanDerWaalsContact CD1-SD 3.58Å; L464-I578 HydrophobicContact CD2-CD1 3.93Å; L464-L586 HydrophobicContact CD1-CD1 3.97Å; L464-L586 HydrophobicContact CD2-CD1 4.06Å; L464-L586 HydrophobicContact CG-CD1 4.41Å; L464-L589 HydrophobicContact CD2-CD2 3.61Å; L464-L589 HydrophobicContact CG-CD2 4.09Å
465	I	98.5	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-39	170.5	-54.4	176.9	0	0	0	110.3	M444 Y461 P462 L467 N468 S469 F472 A561 M562 A565	M444-I465 HydrophobicContact CE-CD1 3.44Å; M444-I465 VanDerWaalsContact CE-CD1 3.44Å; M444-I465 HydrophobicContact SD-CD1 3.93Å; Y461-I465 HydrophobicContact CD1-CD1 4.38Å; Y461-I465 HydrophobicContact CE1-CD1 4Å; Y461-I465 HydrophobicContact CE2-CD1 4.45Å; Y461-I465 HydrophobicContact CE2-CG1 4.43Å; Y461-I465 WeakPolarHBondContact O-CG1 3.31Å; Y461-I465 PolarHBondContact O-N 2.78Å; P462-I465 PolarHBondContact O-N 3.05Å; I465-L467 VanDerWaalsContact C-N 3.3Å; I465-L467 PolarHBondContact O-N 2.72Å; I465-N468 CarbonylContact O-C 3.51Å; I465-N468 PolarHBondContact O-N 3.45Å; I465-S469 PolarHBondContact O-N 3.24Å; I465-F472 HydrophobicContact CB-CD1 3.97Å; I465-F472 HydrophobicContact CB-CD2 4.31Å; I465-F472 HydrophobicContact CB-CE1 4.17Å; I465-F472 HydrophobicContact CB-CE2 4.47Å; I465-F472 HydrophobicContact CB-CG 4.04Å; I465-F472 HydrophobicContact CB-CZ 4.4Å; I465-F472 HydrophobicContact CD1-CE2 4.34Å; I465-F472 HydrophobicContact CD1-CZ 4.34Å; I465-F472 HydrophobicContact CG2-CB 3.85Å; I465-F472 HydrophobicContact CG2-CD1 3.97Å; I465-F472 HydrophobicContact CG2-CD2 3.56Å; I465-F472 HydrophobicContact CG2-CE1 4.44Å; I465-F472 HydrophobicContact CG2-CE2 4.06Å; I465-F472 HydrophobicContact CG2-CG 3.5Å; I465-F472 VanDerWaalsContact CG2-CG 3.5Å; I465-F472 HydrophobicContact CG2-CZ 4.47Å; I465-A561 HydrophobicContact CG2-CB 4.08Å; I465-M562 HydrophobicContact CD1-CB 4.14Å; I465-M562 HydrophobicContact CD1-CG 3.98Å; I465-A565 HydrophobicContact CB-CB 4.38Å; I465-A565 HydrophobicContact CG1-CB 3.58Å
466	S	97.3	Very high	97	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-25.7	176.7	79.8	0	0	0	0	114.2	P462 K463 L464 N468 N526 I528	P462-S466 PolarHBondContact O-N 3.48Å; K463-S466 WeakPolarHBondContact O-CB 3.48Å; K463-S466 PolarHBondContact O-N 2.86Å; K463-S466 VanDerWaalsContact O-N 3.14Å; K463-S466 PolarHBondContact O-OG 3.07Å; L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 3.27Å; S466-N468 VanDerWaalsContact C-N 3.29Å; S466-N526 PolarHBondContact O-ND2 2.98Å; S466-I528 WeakPolarHBondContact O-CD1 3.35Å
467	L	96.1	Very high	97	Very high	10 Å²	10	14 Å²	14	5%	0.052	7%	0.072	C	C	.	.	H	α-helix	trans	-74.3	-19.7	171	-62.1	-175.3	0	0	0	112.6	K463 L464 I465 I528 R577 I578	K463-L467 PolarHBondContact O-N 2.92Å; L464-L467 HydrophobicContact CD2-CD1 4.09Å; L464-L467 PolarHBondContact O-N 3.22Å; L464-L467 VanDerWaalsContact O-N 3.15Å; I465-L467 VanDerWaalsContact C-N 3.3Å; I465-L467 PolarHBondContact O-N 2.72Å; L467-I528 WeakPolarHBondContact O-CD1 3.26Å; L467-R577 WeakPolarHBondContact O-CD 3.34Å; L467-I578 HydrophobicContact CD1-CB 4.39Å; L467-I578 HydrophobicContact CD1-CG1 4.34Å
468	N	96.3	Very high	97	Very high	17 Å²	17	14.7 Å²	14.7	9%	0.091	8%	0.076	C	C	.	.	H	α-helix	trans	-108.3	-17.5	-176.3	-77.8	-74.6	0	0	0	114.9	L464 I465 S466 A561 I564 D568 R577	L464-N468 PolarHBondContact O-N 3.41Å; L464-N468 PolarHBondContact O-ND2 2.87Å; I465-N468 CarbonylContact O-C 3.51Å; I465-N468 PolarHBondContact O-N 3.45Å; S466-N468 VanDerWaalsContact C-N 3.29Å; N468-A561 HydrophobicContact CB-CB 3.67Å; N468-I564 WeakPolarHBondContact OD1-CG2 3.48Å; N468-D568 PolarHBondContact ND2-OD2 3.32Å; N468-R577 VanDerWaalsContact OD1-CD 3.31Å; N468-R577 WeakPolarHBondContact OD1-CD 3.09Å; N468-R577 PolarHBondContact OD1-NE 2.81Å; N468-R577 VanDerWaalsContact OD1-NE 3.07Å
469	S	95.1	Very high	97	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.021	8%	0.08	C	C	.	.			trans	-122.4	125.6	175	178.3	0	0	0	0	111.6	I465 H471 F472 N526 I528 V558	I465-S469 PolarHBondContact O-N 3.24Å; S469-H471 PolarHBondContact O-N 3.49Å; S469-H471 PolarHBondContact OG-N 2.92Å; S469-H471 VanDerWaalsContact OG-N 3.11Å; S469-F472 PolarHBondContact O-N 3.5Å; S469-F472 PolarHBondContact OG-N 3.1Å; S469-N526 PolarHBondContact O-ND2 3.46Å; S469-I528 VanDerWaalsContact C-CD1 3.43Å; S469-V558 WeakPolarHBondContact OG-CG2 3.33Å
470	A	93.8	Very high	96.9	Very high	14 Å²	14	17.3 Å²	17.3	12%	0.116	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.6	171.7	0	0	0	0	0	113	V525 N526 I528 P543	A470-V525 HydrophobicContact CB-CG1 3.86Å; A470-V525 CarbonylContact O-C 3.6Å; A470-V525 VanDerWaalsContact O-CA 3.3Å; A470-V525 WeakPolarHBondContact O-CA 3.25Å; A470-V525 WeakPolarHBondContact O-CG1 3.41Å; A470-N526 PolarHBondContact O-N 3.12Å; A470-I528 HydrophobicContact CB-CG1 4.04Å; A470-P543 HydrophobicContact CB-CB 4.48Å
471	H	94.5	Very high	96.8	Very high	9 Å²	9	23.1 Å²	23.1	4%	0.042	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	0.9	-171.4	-60.3	-39.6	0	0	0	114.6	S469 Y550 V558	S469-H471 PolarHBondContact O-N 3.49Å; S469-H471 PolarHBondContact OG-N 2.92Å; S469-H471 VanDerWaalsContact OG-N 3.11Å; H471-Y550 HydrophobicContact CB-CE1 3.84Å; H471-Y550 AromaticContact CG-CE1 3.91Å; H471-Y550 PolarHBondContact O-OH 3.31Å; H471-Y550 VanDerWaalsContact O-OH 3.14Å; H471-V558 HydrophobicContact CB-CG2 4.3Å
472	F	97.1	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-88.9	114	174.3	-169.8	-86.4	0	0	0	111.9	C442 M444 P462 I465 S469 F474 L515 N526 V558	C442-F472 CarbonylContact O-C 3.44Å; C442-F472 WeakPolarHBondContact O-CA 3.16Å; M444-F472 HydrophobicContact CB-CZ 4.09Å; M444-F472 HydrophobicContact CG-CE2 4.01Å; M444-F472 HydrophobicContact CG-CZ 3.8Å; M444-F472 HydrophobicContact SD-CZ 4.23Å; P462-F472 HydrophobicContact CB-CE1 4.08Å; P462-F472 HydrophobicContact CB-CZ 4.17Å; P462-F472 WeakPolarHBondContact O-CE1 3.42Å; I465-F472 HydrophobicContact CB-CD1 3.97Å; I465-F472 HydrophobicContact CB-CD2 4.31Å; I465-F472 HydrophobicContact CB-CE1 4.17Å; I465-F472 HydrophobicContact CB-CE2 4.47Å; I465-F472 HydrophobicContact CB-CG 4.04Å; I465-F472 HydrophobicContact CB-CZ 4.4Å; I465-F472 HydrophobicContact CD1-CE2 4.34Å; I465-F472 HydrophobicContact CD1-CZ 4.34Å; I465-F472 HydrophobicContact CG2-CB 3.85Å; I465-F472 HydrophobicContact CG2-CD1 3.97Å; I465-F472 HydrophobicContact CG2-CD2 3.56Å; I465-F472 HydrophobicContact CG2-CE1 4.44Å; I465-F472 HydrophobicContact CG2-CE2 4.06Å; I465-F472 HydrophobicContact CG2-CG 3.5Å; I465-F472 VanDerWaalsContact CG2-CG 3.5Å; I465-F472 HydrophobicContact CG2-CZ 4.47Å; S469-F472 PolarHBondContact O-N 3.5Å; S469-F472 PolarHBondContact OG-N 3.1Å; F472-F474 PolarHBondContact O-N 3.29Å; F472-L515 HydrophobicContact CE2-CD1 4.43Å; F472-L515 HydrophobicContact CE2-CG 4.41Å; F472-N526 PolarHBondContact O-ND2 3.33Å; F472-V558 HydrophobicContact CD2-CG1 4.14Å
473	D	96.6	Very high	96.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	16%	0.162	C	C	.	.			trans	-92.8	89	-171.6	165.3	36.8	0	0	0	110.7	C442 F443 Q475 G476 R523	C442-D473 PolarHBondContact O-N 3.31Å; F443-D473 WeakPolarHBondContact CB-O 3.34Å; D473-Q475 VanDerWaalsContact C-N 3.3Å; D473-Q475 PolarHBondContact O-N 3.05Å; D473-G476 VanDerWaalsContact CG-CA 3.48Å; D473-G476 VanDerWaalsContact O-CA 3.23Å; D473-G476 WeakPolarHBondContact O-CA 3.39Å; D473-G476 PolarHBondContact O-N 2.91Å; D473-G476 PolarHBondContact OD1-N 3.39Å; D473-G476 WeakPolarHBondContact OD2-CA 3.47Å; D473-G476 PolarHBondContact OD2-N 2.94Å; D473-R523 IonicContact OD1-CZ 2.66Å; D473-R523 IonicContact OD1-NH1 2.65Å; D473-R523 IonicContact OD1-NH2 3.95Å; D473-R523 PolarHBondContact OD1-NH2 3.12Å; D473-R523 IonicContact OD2-CZ 3.32Å; D473-R523 IonicContact OD2-NH1 2.73Å; D473-R523 PolarHBondContact OD2-NH1 3.34Å; D473-R523 IonicContact OD2-NH2 2.81Å; D473-R523 PolarHBondContact OD2-NH2 2.84Å
474	F	97.4	Very high	96.5	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.061	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-58.8	-39.6	178.3	179.4	-105.5	0	0	0	112.7	M459 P462 K463 F472 G476 C477 W592 M593	M459-F474 HydrophobicContact CE-CZ 3.91Å; P462-F474 HydrophobicContact CB-CD2 4.19Å; P462-F474 HydrophobicContact CB-CE2 4.31Å; K463-F474 HydrophobicContact CB-CD2 3.79Å; K463-F474 HydrophobicContact CB-CE2 3.7Å; K463-F474 HydrophobicContact CB-CG 4.27Å; K463-F474 HydrophobicContact CB-CZ 4.11Å; K463-F474 HydrophobicContact CD-CD1 4.3Å; K463-F474 HydrophobicContact CD-CG 4.35Å; F472-F474 PolarHBondContact O-N 3.29Å; F474-G476 PolarHBondContact O-N 3.06Å; F474-G476 VanDerWaalsContact O-N 3.14Å; F474-C477 VanDerWaalsContact O-CB 3.22Å; F474-C477 WeakPolarHBondContact O-CB 3.41Å; F474-C477 PolarHBondContact O-N 3.44Å; F474-C477 PolarHBondContact O-SG 2.89Å; F474-C477 VanDerWaalsContact O-SG 3.39Å; F474-W592 HydrophobicContact CE1-CZ3 4.38Å; F474-M593 HydrophobicContact CE1-CE 4.25Å; F474-M593 HydrophobicContact CE2-CE 4.16Å; F474-M593 HydrophobicContact CZ-CE 3.59Å; F474-M593 HydrophobicContact CZ-SD 3.94Å
475	Q	95.8	Very high	96.4	Very high	126 Å²	126	36 Å²	36	59%	0.589	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-68.1	-10.1	173.8	-55.3	-60.7	-24.8	0	0	112.6	D473	D473-Q475 VanDerWaalsContact C-N 3.3Å; D473-Q475 PolarHBondContact O-N 3.05Å
476	G	95.9	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-81.1	-16.3	169.1	0	0	0	0	0	114	K439 F443 D473 F474	K439-G476 WeakPolarHBondContact CE-O 3.46Å; K439-G476 VanDerWaalsContact NZ-C 3.32Å; K439-G476 PolarHBondContact NZ-O 3.12Å; F443-G476 VanDerWaalsContact CD2-O 3.28Å; F443-G476 WeakPolarHBondContact CD2-O 3.5Å; F443-G476 WeakPolarHBondContact CG-O 3.33Å; D473-G476 VanDerWaalsContact CG-CA 3.48Å; D473-G476 VanDerWaalsContact O-CA 3.23Å; D473-G476 WeakPolarHBondContact O-CA 3.39Å; D473-G476 PolarHBondContact O-N 2.91Å; D473-G476 PolarHBondContact OD1-N 3.39Å; D473-G476 WeakPolarHBondContact OD2-CA 3.47Å; D473-G476 PolarHBondContact OD2-N 2.94Å; F474-G476 PolarHBondContact O-N 3.06Å; F474-G476 VanDerWaalsContact O-N 3.14Å
477	C	97.9	Very high	95.9	Very high	19 Å²	19	46.6 Å²	46.6	13%	0.128	22%	0.223	C	C	.	.			trans	-70	162.4	-175.6	-60.8	0	0	0	0	111.8	M444 F474 F479	M444-C477 PolarHBondContact N-SG 2.79Å; M444-C477 CarbonylContact O-C 3.58Å; M444-C477 WeakPolarHBondContact O-CA 3.31Å; M444-C477 WeakPolarHBondContact O-CB 3.42Å; F474-C477 VanDerWaalsContact O-CB 3.22Å; F474-C477 WeakPolarHBondContact O-CB 3.41Å; F474-C477 PolarHBondContact O-N 3.44Å; F474-C477 PolarHBondContact O-SG 2.89Å; F474-C477 VanDerWaalsContact O-SG 3.39Å; C477-F479 HydrophobicContact CB-CD2 4.37Å; C477-F479 HydrophobicContact CB-CE2 3.44Å; C477-F479 VanDerWaalsContact CB-CE2 3.44Å; C477-F479 HydrophobicContact CB-CZ 3.83Å
478	N	97.6	Very high	95.4	Very high	53 Å²	53	47.9 Å²	47.9	28%	0.283	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-148.7	122.2	175.5	-169.1	-46.4	0	0	0	111.3	M444 Y445 G446 S480 N483	M444-N478 PolarHBondContact O-N 2.79Å; Y445-N478 WeakPolarHBondContact CA-O 3.49Å; Y445-N478 HydrophobicContact CD1-CB 3.67Å; Y445-N478 HydrophobicContact CE1-CB 3.86Å; G446-N478 PolarHBondContact N-O 3.42Å; G446-N478 VanDerWaalsContact N-O 3.16Å; N478-S480 WeakPolarHBondContact OD1-CB 3.45Å; N478-S480 PolarHBondContact OD1-N 3.23Å; N478-S480 PolarHBondContact OD1-OG 3.37Å; N478-N483 WeakPolarHBondContact OD1-CB 3.28Å
479	F	97.4	Very high	94.6	Very high	19 Å²	19	59.1 Å²	59.1	8%	0.083	27%	0.271	C	S	.	.			trans	-120.5	18.1	-177.3	-52.7	-92.2	0	0	0	111.7	S448 M459 P462 C477 Y513	S448-F479 VanDerWaalsContact CA-O 3.28Å; S448-F479 WeakPolarHBondContact CA-O 3.49Å; S448-F479 WeakPolarHBondContact CB-O 3.47Å; S448-F479 PolarHBondContact OG-O 3.19Å; M459-F479 HydrophobicContact CB-CE2 4.48Å; M459-F479 HydrophobicContact CB-CZ 4.38Å; M459-F479 HydrophobicContact CE-CD2 3.8Å; M459-F479 HydrophobicContact CE-CE2 3.89Å; M459-F479 HydrophobicContact CG-CD1 3.85Å; M459-F479 HydrophobicContact CG-CD2 3.67Å; M459-F479 HydrophobicContact CG-CE1 3.89Å; M459-F479 HydrophobicContact CG-CE2 3.71Å; M459-F479 HydrophobicContact CG-CG 3.75Å; M459-F479 HydrophobicContact CG-CZ 3.83Å; M459-F479 HydrophobicContact SD-CB 4.43Å; M459-F479 HydrophobicContact SD-CD2 3.82Å; M459-F479 HydrophobicContact SD-CE2 4.26Å; M459-F479 HydrophobicContact SD-CG 4.11Å; P462-F479 HydrophobicContact CB-CZ 4.21Å; P462-F479 HydrophobicContact CG-CE1 4.22Å; P462-F479 HydrophobicContact CG-CZ 3.92Å; C477-F479 HydrophobicContact CB-CD2 4.37Å; C477-F479 HydrophobicContact CB-CE2 3.44Å; C477-F479 VanDerWaalsContact CB-CE2 3.44Å; C477-F479 HydrophobicContact CB-CZ 3.83Å; F479-Y513 HydrophobicContact CE1-CE1 4.23Å
480	S	96.4	Very high	93.6	Very high	48 Å²	48	65.8 Å²	65.8	34%	0.336	30%	0.296	S	S	.	.			trans	-79.1	140.5	-177.9	63.3	0	0	0	0	111.7	N478 K482 N483 M484	N478-S480 WeakPolarHBondContact OD1-CB 3.45Å; N478-S480 PolarHBondContact OD1-N 3.23Å; N478-S480 PolarHBondContact OD1-OG 3.37Å; S480-K482 PolarHBondContact O-N 2.86Å; S480-N483 WeakPolarHBondContact O-CA 3.4Å; S480-N483 VanDerWaalsContact O-CB 3.29Å; S480-N483 WeakPolarHBondContact O-CB 3.46Å; S480-N483 PolarHBondContact O-N 2.83Å; S480-N483 PolarHBondContact OG-N 3.35Å; S480-M484 PolarHBondContact O-N 2.87Å
481	E	95.8	Very high	92.7	Very high	123 Å²	123	68 Å²	68	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-52	-39.8	173	-178.6	177.6	-137.2	0	0	112.2	S448 N483 M484 Y485	S448-E481 PolarHBondContact OG-N 2.79Å; E481-N483 PolarHBondContact O-N 2.87Å; E481-N483 VanDerWaalsContact O-N 3.12Å; E481-M484 WeakPolarHBondContact O-CA 3.29Å; E481-M484 WeakPolarHBondContact O-CB 3.41Å; E481-M484 PolarHBondContact O-N 2.92Å; E481-Y485 HydrophobicContact CG-CD2 3.65Å; E481-Y485 HydrophobicContact CG-CE2 3.63Å; E481-Y485 PolarHBondContact O-N 3.35Å; E481-Y485 VanDerWaalsContact O-N 3.13Å
482	K	96.4	Very high	92.3	Very high	180 Å²	180	69.4 Å²	69.4	78%	0.783	32%	0.323	S	S	*	.	H	α-helix	trans	-56.5	-26.6	173.5	-174.6	171.6	-177.8	171	0	113.7	S480 A486	S480-K482 PolarHBondContact O-N 2.86Å; K482-A486 VanDerWaalsContact O-CB 3.29Å; K482-A486 WeakPolarHBondContact O-CB 3.07Å; K482-A486 PolarHBondContact O-N 3.04Å
483	N	95.7	Very high	91.9	Very high	16 Å²	16	73 Å²	73	9%	0.086	34%	0.339	C	S	.	.	H	α-helix	trans	-82	-29.2	172.9	177	-69.4	0	0	0	112.5	N478 S480 E481 K495 R500	N478-N483 WeakPolarHBondContact OD1-CB 3.28Å; S480-N483 WeakPolarHBondContact O-CA 3.4Å; S480-N483 VanDerWaalsContact O-CB 3.29Å; S480-N483 WeakPolarHBondContact O-CB 3.46Å; S480-N483 PolarHBondContact O-N 2.83Å; S480-N483 PolarHBondContact OG-N 3.35Å; E481-N483 PolarHBondContact O-N 2.87Å; E481-N483 VanDerWaalsContact O-N 3.12Å; N483-K495 VanDerWaalsContact O-CD 3.25Å; N483-K495 WeakPolarHBondContact O-CD 3.3Å; N483-R500 PolarHBondContact O-NH2 3.27Å; N483-R500 PolarHBondContact OD1-NH1 3.14Å; N483-R500 PolarHBondContact OD1-NH2 2.64Å
484	M	96.1	Very high	91.7	Very high	3 Å²	3	74 Å²	74	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-45.6	175.2	-62.3	171.1	66.5	0	0	111.6	N447 S448 S480 E481 K495 E496 V501 Y504	N447-M484 HydrophobicContact CB-CE 3.97Å; N447-M484 HydrophobicContact CB-SD 4.05Å; S448-M484 VanDerWaalsContact CB-SD 3.56Å; S448-M484 PolarHBondContact N-SD 3.05Å; S480-M484 PolarHBondContact O-N 2.87Å; E481-M484 WeakPolarHBondContact O-CA 3.29Å; E481-M484 WeakPolarHBondContact O-CB 3.41Å; E481-M484 PolarHBondContact O-N 2.92Å; M484-K495 CarbonylContact O-C 3.51Å; M484-K495 WeakPolarHBondContact O-CB 3.43Å; M484-E496 PolarHBondContact O-N 3.43Å; M484-V501 HydrophobicContact CB-CG1 4.42Å; M484-V501 HydrophobicContact CB-CG2 4.06Å; M484-V501 HydrophobicContact CE-CG1 3.89Å; M484-V501 HydrophobicContact CG-CG2 4.23Å; M484-Y504 HydrophobicContact CE-CD1 4.07Å; M484-Y504 HydrophobicContact CE-CE1 4.05Å
485	Y	95.8	Very high	91.6	Very high	88 Å²	88	75.5 Å²	75.5	35%	0.345	35%	0.353	S	S	.	.	S	Bend	trans	-101.3	9.6	-174.5	-54.3	-60.1	0	0	0	114.5	E481 R487 E496 K505	E481-Y485 HydrophobicContact CG-CD2 3.65Å; E481-Y485 HydrophobicContact CG-CE2 3.63Å; E481-Y485 PolarHBondContact O-N 3.35Å; E481-Y485 VanDerWaalsContact O-N 3.13Å; Y485-R487 PolarHBondContact O-N 2.76Å; Y485-E496 HydrophobicContact CD1-CB 4.04Å; Y485-E496 HydrophobicContact CD1-CG 4.05Å; Y485-E496 HydrophobicContact CE1-CB 4.35Å; Y485-E496 HydrophobicContact CE1-CG 3.9Å; Y485-K505 WeakPolarHBondContact OH-CE 3.45Å
486	A	94.3	Very high	91.6	Very high	39 Å²	39	72.2 Å²	72.2	32%	0.322	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.5	128.6	173.9	0	0	0	0	0	111.2	K482 K495	K482-A486 VanDerWaalsContact O-CB 3.29Å; K482-A486 WeakPolarHBondContact O-CB 3.07Å; K482-A486 PolarHBondContact O-N 3.04Å; A486-K495 HydrophobicContact CB-CD 4.47Å; A486-K495 WeakPolarHBondContact O-CB 3.47Å; A486-K495 WeakPolarHBondContact O-CG 3.45Å; A486-K495 PolarHBondContact O-N 3.25Å
487	R	92.6	Very high	91.6	Very high	191 Å²	191	72.3 Å²	72.3	72%	0.721	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-82.5	141.2	169.8	-64.3	177.8	-177.3	-150	1.6	110.3	Y485 G492 Q493	Y485-R487 PolarHBondContact O-N 2.76Å; R487-G492 WeakPolarHBondContact CB-O 3.38Å; R487-G492 WeakPolarHBondContact CD-O 3.46Å; R487-G492 WeakPolarHBondContact CG-O 3.42Å; R487-Q493 WeakPolarHBondContact CA-O 3.05Å
488	D	84.2	Confident	91.6	Very high	38 Å²	38	71.6 Å²	71.6	20%	0.203	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.8	149.3	168.4	-161.7	-55.1	0	0	0	109.2	R313 R490 D491 G492 Q493	R313-D488 IonicContact NH2-OD2 3.51Å; D488-R490 VanDerWaalsContact C-N 3.31Å; D488-R490 IonicContact OD1-CZ 3.31Å; D488-R490 PolarHBondContact OD1-N 2.99Å; D488-R490 IonicContact OD1-NE 3.63Å; D488-R490 PolarHBondContact OD1-NE 3.23Å; D488-R490 IonicContact OD1-NH2 3.71Å; D488-R490 IonicContact OD2-CZ 2.75Å; D488-R490 IonicContact OD2-NE 2.83Å; D488-R490 IonicContact OD2-NH2 3.33Å; D488-R490 PolarHBondContact OD2-NH2 2.89Å; D488-D491 WeakPolarHBondContact CB-OD1 3.47Å; D488-G492 VanDerWaalsContact O-CA 3.3Å; D488-G492 WeakPolarHBondContact O-CA 3.49Å; D488-G492 PolarHBondContact O-N 3.21Å; D488-Q493 PolarHBondContact N-O 3.05Å
489	R	80	Confident	91.6	Very high	253 Å²	253	69.1 Å²	69.1	96%	0.955	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.8	-178.9	-66.1	-177.1	176.5	-168.3	-3.6	113.2
490	R	73.3	Confident	91.6	Very high	142 Å²	142	68.2 Å²	68.2	54%	0.536	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-50.1	-177.6	-65.2	170.4	-69.9	167.8	-0.8	112.6	N71 D488	N71-R490 PolarHBondContact OD1-NH1 2.79Å; D488-R490 VanDerWaalsContact C-N 3.31Å; D488-R490 IonicContact OD1-CZ 3.31Å; D488-R490 PolarHBondContact OD1-N 2.99Å; D488-R490 IonicContact OD1-NE 3.63Å; D488-R490 PolarHBondContact OD1-NE 3.23Å; D488-R490 IonicContact OD1-NH2 3.71Å; D488-R490 IonicContact OD2-CZ 2.75Å; D488-R490 IonicContact OD2-NE 2.83Å; D488-R490 IonicContact OD2-NH2 3.33Å; D488-R490 PolarHBondContact OD2-NH2 2.89Å
491	D	76.1	Confident	91.7	Very high	62 Å²	62	66 Å²	66	33%	0.332	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.9	-175	59.3	30.4	0	0	0	113.5	N310 D488 Q493	N310-D491 PolarHBondContact ND2-OD2 2.93Å; D488-D491 WeakPolarHBondContact CB-OD1 3.47Å; D491-Q493 HydrophobicContact CB-CG 4.07Å; D491-Q493 PolarHBondContact O-N 3.02Å; D491-Q493 VanDerWaalsContact OD1-CB 3.3Å; D491-Q493 WeakPolarHBondContact OD1-CB 3.18Å; D491-Q493 PolarHBondContact OD1-N 3.13Å
492	G	85.8	Confident	91.8	Very high	38 Å²	38	60.2 Å²	60.2	39%	0.392	28%	0.275	S	S	.	.			trans	70.5	1	-176.6	0	0	0	0	0	114.9	R487 D488	R487-G492 WeakPolarHBondContact CB-O 3.38Å; R487-G492 WeakPolarHBondContact CD-O 3.46Å; R487-G492 WeakPolarHBondContact CG-O 3.42Å; D488-G492 VanDerWaalsContact O-CA 3.3Å; D488-G492 WeakPolarHBondContact O-CA 3.49Å; D488-G492 PolarHBondContact O-N 3.21Å
493	Q	88.3	Confident	91.8	Very high	74 Å²	74	51.6 Å²	51.6	35%	0.346	24%	0.237	S	C	.	.			trans	-79.2	135.6	-172.7	-59	-176.4	1.6	0	0	111.2	R313 R487 D488 D491	R313-Q493 HydrophobicContact CB-CB 4.46Å; R313-Q493 HydrophobicContact CG-CB 4Å; R313-Q493 VanDerWaalsContact CG-OE1 3.23Å; R487-Q493 WeakPolarHBondContact CA-O 3.05Å; D488-Q493 PolarHBondContact N-O 3.05Å; D491-Q493 HydrophobicContact CB-CG 4.07Å; D491-Q493 PolarHBondContact O-N 3.02Å; D491-Q493 VanDerWaalsContact OD1-CB 3.3Å; D491-Q493 WeakPolarHBondContact OD1-CB 3.18Å; D491-Q493 PolarHBondContact OD1-N 3.13Å
494	S	93.6	Very high	91.9	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-69.4	138.3	-178.2	-171.8	0	0	0	0	111.8	R313 E496 G497	R313-S494 VanDerWaalsContact CD-O 3.23Å; R313-S494 WeakPolarHBondContact CD-O 3.28Å; S494-E496 PolarHBondContact O-N 3.23Å; S494-E496 VanDerWaalsContact O-N 3.09Å; S494-E496 WeakPolarHBondContact OG-CB 3.47Å; S494-E496 PolarHBondContact OG-N 2.99Å; S494-G497 PolarHBondContact O-N 3.03Å
495	K	94.9	Very high	91.9	Very high	47 Å²	47	58 Å²	58	20%	0.204	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-61.1	-9.4	166.2	-83.3	-169.5	171.9	-151.7	0	113.4	N483 M484 A486 G497 S498 V501	N483-K495 VanDerWaalsContact O-CD 3.25Å; N483-K495 WeakPolarHBondContact O-CD 3.3Å; M484-K495 CarbonylContact O-C 3.51Å; M484-K495 WeakPolarHBondContact O-CB 3.43Å; A486-K495 HydrophobicContact CB-CD 4.47Å; A486-K495 WeakPolarHBondContact O-CB 3.47Å; A486-K495 WeakPolarHBondContact O-CG 3.45Å; A486-K495 PolarHBondContact O-N 3.25Å; K495-G497 PolarHBondContact O-N 3.04Å; K495-S498 VanDerWaalsContact O-CB 3.24Å; K495-S498 WeakPolarHBondContact O-CB 3.14Å; K495-S498 PolarHBondContact O-N 3.23Å; K495-S498 PolarHBondContact O-OG 2.66Å; K495-V501 WeakPolarHBondContact O-CG2 3.43Å
496	E	96.2	Very high	91.8	Very high	56 Å²	56	55.8 Å²	55.8	26%	0.262	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.4	-31.3	167.7	-167.2	174.6	-169.9	0	0	113	L316 M484 Y485 S494 S498 V501 K505	L316-E496 HydrophobicContact CD1-CB 4.47Å; L316-E496 HydrophobicContact CD1-CG 4.11Å; L316-E496 HydrophobicContact CD2-CG 4.35Å; M484-E496 PolarHBondContact O-N 3.43Å; Y485-E496 HydrophobicContact CD1-CB 4.04Å; Y485-E496 HydrophobicContact CD1-CG 4.05Å; Y485-E496 HydrophobicContact CE1-CB 4.35Å; Y485-E496 HydrophobicContact CE1-CG 3.9Å; S494-E496 PolarHBondContact O-N 3.23Å; S494-E496 VanDerWaalsContact O-N 3.09Å; S494-E496 WeakPolarHBondContact OG-CB 3.47Å; S494-E496 PolarHBondContact OG-N 2.99Å; E496-S498 PolarHBondContact O-N 3.28Å; E496-V501 HydrophobicContact CG-CG1 4.31Å; E496-K505 IonicContact OE1-NZ 3.93Å; E496-K505 PolarHBondContact OE1-NZ 3.14Å
497	G	95.4	Very high	91.9	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.031	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-72.9	-5.8	172.4	0	0	0	0	0	115	R313 Q314 Y315 S494 K495	R313-G497 CarbonylContact C-O 3.09Å; R313-G497 WeakPolarHBondContact CA-O 3.49Å; R313-G497 VanDerWaalsContact O-CA 3.26Å; R313-G497 WeakPolarHBondContact O-CA 3.45Å; Q314-G497 PolarHBondContact N-O 2.82Å; Y315-G497 PolarHBondContact N-O 2.76Å; Y315-G497 VanDerWaalsContact N-O 3.17Å; S494-G497 PolarHBondContact O-N 3.03Å; K495-G497 PolarHBondContact O-N 3.04Å
498	S	97.6	Very high	91.9	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.028	23%	0.229	C	C	.	.	S	Bend	trans	-77.5	148	179.1	69	0	0	0	0	111.9	N312 K495 E496 R500 V501 A502	N312-S498 WeakPolarHBondContact O-CA 3.44Å; N312-S498 WeakPolarHBondContact OD1-CA 3.3Å; N312-S498 VanDerWaalsContact OD1-CB 3.26Å; N312-S498 WeakPolarHBondContact OD1-CB 3.45Å; K495-S498 VanDerWaalsContact O-CB 3.24Å; K495-S498 WeakPolarHBondContact O-CB 3.14Å; K495-S498 PolarHBondContact O-N 3.23Å; K495-S498 PolarHBondContact O-OG 2.66Å; E496-S498 PolarHBondContact O-N 3.28Å; S498-R500 VanDerWaalsContact C-N 3.3Å; S498-R500 PolarHBondContact O-N 3.39Å; S498-V501 PolarHBondContact O-N 3.03Å; S498-A502 WeakPolarHBondContact O-CB 3.2Å; S498-A502 PolarHBondContact O-N 3.09Å
499	G	97.8	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-49.7	-49.7	-176.8	0	0	0	0	0	112.2	N312 Y315 V501 A502 I503	N312-G499 PolarHBondContact OD1-N 3.48Å; Y315-G499 VanDerWaalsContact CD2-CA 3.42Å; G499-V501 VanDerWaalsContact C-N 3.29Å; G499-V501 PolarHBondContact O-N 3.39Å; G499-V501 VanDerWaalsContact O-N 3.16Å; G499-A502 PolarHBondContact O-N 3.36Å; G499-I503 WeakPolarHBondContact O-CB 3.32Å; G499-I503 WeakPolarHBondContact O-CG1 3.33Å; G499-I503 PolarHBondContact O-N 2.85Å
500	R	97.4	Very high	93.2	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-46.9	-47.3	175.6	177.8	-159.1	60.2	161	-17.5	113.9	Y445 G446 N447 N483 S498 Y504 S512 T514	Y445-R500 WeakPolarHBondContact O-CD 3.06Å; G446-R500 PolarHBondContact O-NH1 2.97Å; N447-R500 PolarHBondContact ND2-O 2.98Å; N483-R500 PolarHBondContact O-NH2 3.27Å; N483-R500 PolarHBondContact OD1-NH1 3.14Å; N483-R500 PolarHBondContact OD1-NH2 2.64Å; S498-R500 VanDerWaalsContact C-N 3.3Å; S498-R500 PolarHBondContact O-N 3.39Å; R500-Y504 WeakPolarHBondContact O-CB 3.23Å; R500-S512 WeakPolarHBondContact CA-OG 3.06Å; R500-S512 WeakPolarHBondContact CG-O 3.49Å; R500-S512 PolarHBondContact O-OG 3.34Å; R500-T514 WeakPolarHBondContact CB-OG1 3.16Å
501	V	98.1	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-84.4	-43.8	-174.6	-174.9	0	0	0	0	110.8	M484 K495 E496 S498 G499 Y504 K505	M484-V501 HydrophobicContact CB-CG1 4.42Å; M484-V501 HydrophobicContact CB-CG2 4.06Å; M484-V501 HydrophobicContact CE-CG1 3.89Å; M484-V501 HydrophobicContact CG-CG2 4.23Å; K495-V501 WeakPolarHBondContact O-CG2 3.43Å; E496-V501 HydrophobicContact CG-CG1 4.31Å; S498-V501 PolarHBondContact O-N 3.03Å; G499-V501 VanDerWaalsContact C-N 3.29Å; G499-V501 PolarHBondContact O-N 3.39Å; G499-V501 VanDerWaalsContact O-N 3.16Å; V501-Y504 PolarHBondContact O-N 2.93Å; V501-K505 WeakPolarHBondContact O-CG 3.43Å; V501-K505 PolarHBondContact O-N 3.31Å
502	A	97.9	Very high	95.4	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-71.6	-36.1	-176.9	0	0	0	0	0	113.4	L316 S498 G499 K505 A506	L316-A502 HydrophobicContact CD2-CB 3.95Å; L316-A502 HydrophobicContact CG-CB 4.09Å; S498-A502 WeakPolarHBondContact O-CB 3.2Å; S498-A502 PolarHBondContact O-N 3.09Å; G499-A502 PolarHBondContact O-N 3.36Å; A502-K505 PolarHBondContact O-N 2.93Å; A502-A506 VanDerWaalsContact O-CB 3.28Å; A502-A506 WeakPolarHBondContact O-CB 3.36Å; A502-A506 PolarHBondContact O-N 2.82Å
503	I	97.6	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-45.2	172.6	-67.1	-58	0	0	0	110.2	Y315 K330 L333 Y430 G499 K505 A506 S507 I509	Y315-I503 HydrophobicContact CD1-CD1 4.35Å; Y315-I503 HydrophobicContact CD1-CG1 4.42Å; K330-I503 HydrophobicContact CB-CD1 4.34Å; K330-I503 HydrophobicContact CG-CD1 4.02Å; L333-I503 HydrophobicContact CD1-CD1 4.14Å; L333-I503 HydrophobicContact CD1-CG1 4.29Å; L333-I503 HydrophobicContact CD1-CG2 3.64Å; L333-I503 HydrophobicContact CD2-CD1 4.37Å; L333-I503 HydrophobicContact CD2-CG2 3.66Å; L333-I503 HydrophobicContact CG-CG2 4.33Å; Y430-I503 HydrophobicContact CD1-CB 4.48Å; Y430-I503 HydrophobicContact CD1-CG1 4.48Å; Y430-I503 HydrophobicContact CD2-CG1 4.36Å; Y430-I503 HydrophobicContact CD2-CG2 4.48Å; Y430-I503 HydrophobicContact CE1-CG1 4.35Å; Y430-I503 HydrophobicContact CE2-CG1 4.17Å; Y430-I503 HydrophobicContact CG-CG1 4.49Å; Y430-I503 HydrophobicContact CG-CG2 4.15Å; G499-I503 WeakPolarHBondContact O-CB 3.32Å; G499-I503 WeakPolarHBondContact O-CG1 3.33Å; G499-I503 PolarHBondContact O-N 2.85Å; I503-K505 PolarHBondContact O-N 2.61Å; I503-A506 CarbonylContact O-C 3.58Å; I503-A506 PolarHBondContact O-N 2.82Å; I503-A506 VanDerWaalsContact O-N 3.09Å; I503-S507 PolarHBondContact O-N 3.18Å; I503-S507 PolarHBondContact O-OG 2.73Å; I503-I509 HydrophobicContact CG2-CD1 3.89Å; I503-I509 HydrophobicContact CG2-CG1 4.33Å
504	Y	96.7	Very high	96.5	Very high	56 Å²	56	20.7 Å²	20.7	22%	0.22	11%	0.113	C	C	.	.	H	α-helix	trans	-57.7	-48.7	173.3	161.3	-118.7	0	0	0	111.6	N447 F449 M484 R500 V501 A506 S507 G508 I509	N447-Y504 HydrophobicContact CB-CD1 4.11Å; N447-Y504 HydrophobicContact CB-CE1 4.47Å; N447-Y504 HydrophobicContact CB-CG 4.46Å; N447-Y504 WeakPolarHBondContact ND2-CB 3.32Å; F449-Y504 HydrophobicContact CE1-CD2 4.24Å; F449-Y504 HydrophobicContact CE1-CE1 4.46Å; F449-Y504 AromaticContact CE1-CE2 3.42Å; F449-Y504 HydrophobicContact CE1-CE2 3.42Å; F449-Y504 VanDerWaalsContact CE1-CE2 3.42Å; F449-Y504 AromaticContact CE1-CZ 3.54Å; F449-Y504 WeakPolarHBondContact CE1-OH 3.22Å; F449-Y504 HydrophobicContact CZ-CD2 4.15Å; F449-Y504 AromaticContact CZ-CE2 3.77Å; F449-Y504 HydrophobicContact CZ-CE2 3.77Å; M484-Y504 HydrophobicContact CE-CD1 4.07Å; M484-Y504 HydrophobicContact CE-CE1 4.05Å; R500-Y504 WeakPolarHBondContact O-CB 3.23Å; V501-Y504 PolarHBondContact O-N 2.93Å; Y504-A506 PolarHBondContact O-N 2.66Å; Y504-A506 VanDerWaalsContact O-N 3.17Å; Y504-S507 PolarHBondContact O-N 3.26Å; Y504-G508 WeakPolarHBondContact O-CA 3.46Å; Y504-G508 PolarHBondContact O-N 2.84Å; Y504-I509 WeakPolarHBondContact CD2-O 3.36Å
505	K	95.9	Very high	96.8	Very high	98 Å²	98	19.4 Å²	19.4	43%	0.426	10%	0.104	S	C	.	.	H	α-helix	trans	-61	-23	176	-77.1	-164.8	170.5	-157.3	0	114.2	Y485 E496 V501 A502 I503	Y485-K505 WeakPolarHBondContact OH-CE 3.45Å; E496-K505 IonicContact OE1-NZ 3.93Å; E496-K505 PolarHBondContact OE1-NZ 3.14Å; V501-K505 WeakPolarHBondContact O-CG 3.43Å; V501-K505 PolarHBondContact O-N 3.31Å; A502-K505 PolarHBondContact O-N 2.93Å; I503-K505 PolarHBondContact O-N 2.61Å
506	A	95	Very high	97	Very high	41 Å²	41	18 Å²	18	34%	0.339	10%	0.099	S	C	.	.	H	α-helix	trans	-101.5	-5	-177.7	0	0	0	0	0	114.7	L334 A502 I503 Y504	L334-A506 HydrophobicContact CD1-CB 4.44Å; L334-A506 HydrophobicContact CD2-CB 4.03Å; L334-A506 WeakPolarHBondContact CD2-O 3.4Å; A502-A506 VanDerWaalsContact O-CB 3.28Å; A502-A506 WeakPolarHBondContact O-CB 3.36Å; A502-A506 PolarHBondContact O-N 2.82Å; I503-A506 CarbonylContact O-C 3.58Å; I503-A506 PolarHBondContact O-N 2.82Å; I503-A506 VanDerWaalsContact O-N 3.09Å; Y504-A506 PolarHBondContact O-N 2.66Å; Y504-A506 VanDerWaalsContact O-N 3.17Å
507	S	94.4	Very high	97	Very high	6 Å²	6	15.4 Å²	15.4	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-149.1	0.6	-174.7	62.8	0	0	0	0	115.1	H337 I503 Y504 I509	H337-S507 PolarHBondContact CE1-O 3.09Å; I503-S507 PolarHBondContact O-N 3.18Å; I503-S507 PolarHBondContact O-OG 2.73Å; Y504-S507 PolarHBondContact O-N 3.26Å; S507-I509 WeakPolarHBondContact O-CG2 3.26Å; S507-I509 PolarHBondContact O-N 3.41Å
508	G	94	Very high	97.1	Very high	28 Å²	28	15.2 Å²	15.2	29%	0.289	9%	0.085	S	C	.	.			trans	66.7	-11.7	-177.4	0	0	0	0	0	116	P422 Y504 I510	P422-G508 WeakPolarHBondContact CG-O 3.48Å; Y504-G508 WeakPolarHBondContact O-CA 3.46Å; Y504-G508 PolarHBondContact O-N 2.84Å; G508-I510 PolarHBondContact O-N 3.07Å
509	I	95.1	Very high	97.1	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.084	C	C	.	.			trans	-60.7	126.5	-168.3	71.3	-178.5	0	0	0	112.4	S425 V427 I503 Y504 S507	S425-I509 VanDerWaalsContact OG-CG2 3.27Å; S425-I509 WeakPolarHBondContact OG-CG2 3.36Å; V427-I509 HydrophobicContact CB-CD1 4.33Å; V427-I509 HydrophobicContact CG1-CD1 3.67Å; I503-I509 HydrophobicContact CG2-CD1 3.89Å; I503-I509 HydrophobicContact CG2-CG1 4.33Å; Y504-I509 WeakPolarHBondContact CD2-O 3.36Å; S507-I509 WeakPolarHBondContact O-CG2 3.26Å; S507-I509 PolarHBondContact O-N 3.41Å
510	I	95.4	Very high	97	Very high	29 Å²	29	15.3 Å²	15.3	15%	0.149	8%	0.084	C	C	.	.	S	Bend	trans	-77.3	-31.8	-173.3	71.1	172.7	0	0	0	111.6	P422 F449 T454 E457 G508 S512	P422-I510 HydrophobicContact CB-CG2 4.03Å; P422-I510 HydrophobicContact CG-CG2 4.17Å; F449-I510 HydrophobicContact CE1-CB 4.46Å; F449-I510 HydrophobicContact CE1-CG2 3.99Å; F449-I510 HydrophobicContact CE2-CB 4.46Å; F449-I510 HydrophobicContact CZ-CB 3.98Å; F449-I510 HydrophobicContact CZ-CG2 4.02Å; T454-I510 HydrophobicContact CG2-CB 4.32Å; T454-I510 HydrophobicContact CG2-CG2 3.66Å; E457-I510 HydrophobicContact CB-CD1 3.86Å; G508-I510 PolarHBondContact O-N 3.07Å; I510-S512 PolarHBondContact O-N 2.86Å
511	H	97.9	Very high	96.8	Very high	27 Å²	27	15.7 Å²	15.7	13%	0.125	9%	0.087	C	C	.	.			trans	-85.4	52.7	179.6	-64.6	-46.1	0	0	0	112.1	A428 Y429 Y430 E457 Y513	A428-H511 VanDerWaalsContact O-CB 3.31Å; A428-H511 WeakPolarHBondContact O-CB 3.49Å; Y429-H511 HydrophobicContact CD1-CB 3.67Å; Y429-H511 HydrophobicContact CE1-CB 3.93Å; Y429-H511 AromaticContact CE1-CD2 3.99Å; Y429-H511 AromaticContact CE1-CG 3.81Å; Y429-H511 HydrophobicContact CG-CB 4.41Å; Y430-H511 PolarHBondContact N-O 3.4Å; E457-H511 PolarHBondContact O-CE1 2.83Å; H511-Y513 VanDerWaalsContact C-CE2 3.43Å; H511-Y513 HydrophobicContact CB-CE2 3.7Å; H511-Y513 AromaticContact ND1-CZ 3.91Å; H511-Y513 PolarHBondContact ND1-OH 2.92Å
512	S	98.4	Very high	96.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	175.1	-176.8	0	0	0	0	109.5	Y430 R500 I510	Y430-S512 WeakPolarHBondContact CD1-OG 3.25Å; Y430-S512 WeakPolarHBondContact O-CA 3.21Å; R500-S512 WeakPolarHBondContact CA-OG 3.06Å; R500-S512 WeakPolarHBondContact CG-O 3.49Å; R500-S512 PolarHBondContact O-OG 3.34Å; I510-S512 PolarHBondContact O-N 2.86Å
513	Y	98.9	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.6	-167.2	-56.8	-71.9	0	0	0	114	Y429 Y430 V431 D432 M444 Y445 N458 Y461 P462 F479 H511	Y429-Y513 HydrophobicContact CD1-CE2 4.49Å; Y430-Y513 PolarHBondContact O-N 2.97Å; V431-Y513 HydrophobicContact CG2-CD2 4.24Å; D432-Y513 PolarHBondContact N-O 3.48Å; M444-Y513 HydrophobicContact SD-CD1 4.11Å; M444-Y513 HydrophobicContact SD-CD2 4.42Å; M444-Y513 HydrophobicContact SD-CG 3.92Å; Y445-Y513 WeakPolarHBondContact O-CA 3.41Å; N458-Y513 WeakPolarHBondContact O-CE1 3.27Å; N458-Y513 PolarHBondContact O-OH 3.39Å; N458-Y513 WeakPolarHBondContact OD1-CE1 3.49Å; Y461-Y513 HydrophobicContact CD1-CD2 4.08Å; Y461-Y513 AromaticContact CD1-CE2 3.48Å; Y461-Y513 HydrophobicContact CD1-CE2 3.48Å; Y461-Y513 VanDerWaalsContact CD1-CE2 3.48Å; Y461-Y513 AromaticContact CD1-CZ 3.97Å; Y461-Y513 HydrophobicContact CE1-CD2 4.2Å; Y461-Y513 HydrophobicContact CE1-CE2 4.02Å; P462-Y513 HydrophobicContact CG-CD1 4.4Å; P462-Y513 HydrophobicContact CG-CE1 3.92Å; F479-Y513 HydrophobicContact CE1-CE1 4.23Å; H511-Y513 VanDerWaalsContact C-CE2 3.43Å; H511-Y513 HydrophobicContact CB-CE2 3.7Å; H511-Y513 AromaticContact ND1-CZ 3.91Å; H511-Y513 PolarHBondContact ND1-OH 2.92Å
514	T	98.8	Very high	95.9	Very high	5 Å²	5	23 Å²	23	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	159.9	-53	0	0	0	0	108.2	D432 H434 M444 Y445 R500 E516	D432-T514 CarbonylContact O-C 3.51Å; D432-T514 VanDerWaalsContact O-CA 3.3Å; D432-T514 WeakPolarHBondContact O-CA 3.28Å; H434-T514 HydrophobicContact CB-CG2 4.15Å; H434-T514 WeakPolarHBondContact CD2-CG2 3.33Å; M444-T514 CarbonylContact C-O 3.59Å; M444-T514 VanDerWaalsContact CA-O 3.29Å; M444-T514 WeakPolarHBondContact CA-O 3.21Å; Y445-T514 PolarHBondContact N-O 3.46Å; Y445-T514 PolarHBondContact O-N 2.79Å; R500-T514 WeakPolarHBondContact CB-OG1 3.16Å; T514-E516 HydrophobicContact CG2-CG 4.21Å
515	L	98.8	Very high	95.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.3	173.4	-169.4	167	0	0	0	109.1	V261 V431 D432 L433 H434 M444 F472 C517 V558 M562	V261-L515 HydrophobicContact CG1-CD1 4.21Å; V431-L515 HydrophobicContact CG1-CB 4.2Å; D432-L515 PolarHBondContact O-N 3.08Å; L433-L515 HydrophobicContact CD2-CB 3.64Å; L433-L515 HydrophobicContact CD2-CD1 3.91Å; L433-L515 HydrophobicContact CD2-CD2 4.46Å; L433-L515 HydrophobicContact CD2-CG 4.21Å; H434-L515 WeakPolarHBondContact CA-O 3.47Å; H434-L515 WeakPolarHBondContact CB-O 3.24Å; H434-L515 PolarHBondContact N-O 3.03Å; M444-L515 HydrophobicContact CE-CB 4.19Å; M444-L515 HydrophobicContact CE-CD1 3.88Å; M444-L515 HydrophobicContact CE-CG 4.3Å; M444-L515 HydrophobicContact CG-CB 4.05Å; M444-L515 HydrophobicContact CG-CG 4.2Å; F472-L515 HydrophobicContact CE2-CD1 4.43Å; F472-L515 HydrophobicContact CE2-CG 4.41Å; L515-C517 WeakPolarHBondContact CD2-SG 3.23Å; L515-V558 HydrophobicContact CD1-CG1 4.11Å; L515-M562 HydrophobicContact CD1-SD 3.67Å
516	E	98.6	Very high	95.5	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.084	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.9	-170.4	-70.1	-95.5	-149.8	0	0	109.6	H434 H436 C442 F443 Y445 T514	H434-E516 HydrophobicContact CB-CG 4.38Å; H434-E516 WeakPolarHBondContact CB-OE2 3.48Å; H436-E516 HydrophobicContact CB-CB 4.01Å; H436-E516 WeakPolarHBondContact CB-OE2 3.3Å; H436-E516 IonicContact CD2-OE1 3.84Å; H436-E516 IonicContact CD2-OE2 3.52Å; H436-E516 PolarHBondContact CD2-OE2 3.41Å; H436-E516 IonicContact CG-OE2 3.77Å; C442-E516 WeakPolarHBondContact CA-O 3.37Å; F443-E516 HydrophobicContact CD2-CB 3.91Å; F443-E516 HydrophobicContact CE1-CB 4.28Å; F443-E516 HydrophobicContact CE2-CB 3.37Å; F443-E516 HydrophobicContact CE2-CG 3.92Å; F443-E516 HydrophobicContact CZ-CB 3.58Å; F443-E516 HydrophobicContact CZ-CG 4.42Å; F443-E516 PolarHBondContact N-O 3.29Å; F443-E516 PolarHBondContact O-N 3.43Å; Y445-E516 HydrophobicContact CD2-CG 3.93Å; Y445-E516 WeakPolarHBondContact CD2-OE1 3.13Å; Y445-E516 HydrophobicContact CE2-CG 3.89Å; Y445-E516 WeakPolarHBondContact CE2-OE1 3.47Å; T514-E516 HydrophobicContact CG2-CG 4.21Å
517	C	98.1	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.1	-176	-83	0	0	0	0	113.1	P257 V261 H434 G435 H436 C442 L515 F555	P257-C517 HydrophobicContact CB-CB 3.65Å; V261-C517 VanDerWaalsContact CG2-SG 3.53Å; H434-C517 PolarHBondContact O-N 3.06Å; G435-C517 CarbonylContact C-O 3.42Å; G435-C517 WeakPolarHBondContact CA-O 3.33Å; H436-C517 PolarHBondContact N-O 3.3Å; C442-C517 PolarHBondContact SG-SG 3.09Å; L515-C517 WeakPolarHBondContact CD2-SG 3.23Å; C517-F555 HydrophobicContact CB-CD1 4.21Å; C517-F555 HydrophobicContact CB-CE1 4Å
518	N	97.3	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.			trans	-68.6	141.3	172.5	-172.1	-106.2	0	0	0	112.6	H436 A437 K439 G441 N520 T521 Y550 F555	H436-N518 WeakPolarHBondContact O-CA 3.37Å; H436-N518 PolarHBondContact O-ND2 2.82Å; A437-N518 PolarHBondContact O-ND2 3.09Å; K439-N518 WeakPolarHBondContact O-CB 3.3Å; K439-N518 PolarHBondContact O-ND2 3.17Å; K439-N518 VanDerWaalsContact O-ND2 3.13Å; G441-N518 WeakPolarHBondContact O-CB 3.31Å; G441-N518 PolarHBondContact O-N 3.43Å; N518-N520 VanDerWaalsContact C-N 3.27Å; N518-N520 PolarHBondContact O-N 2.9Å; N518-N520 WeakPolarHBondContact OD1-CA 3.34Å; N518-N520 PolarHBondContact OD1-N 3.33Å; N518-T521 PolarHBondContact OD1-N 3.35Å; N518-T521 PolarHBondContact OD1-O 3.16Å; N518-Y550 HydrophobicContact CB-CE2 4.33Å; N518-Y550 VanDerWaalsContact O-CD2 3.3Å; N518-Y550 WeakPolarHBondContact O-CD2 3.33Å; N518-F555 WeakPolarHBondContact O-CE1 3.3Å; N518-F555 WeakPolarHBondContact O-CZ 3.32Å
519	Y	96.9	Very high	95	Very high	3 Å²	3	22 Å²	22	1%	0.012	12%	0.123	C	C	.	.	S	Bend	trans	-72.4	-12.7	179.7	-59.1	-93.5	0	0	0	114.9	L101 R121 F155 C156 G254 E255 P257 G435 A437	L101-Y519 HydrophobicContact CD2-CD2 4.32Å; R121-Y519 PolarHBondContact NH2-O 3.19Å; F155-Y519 HydrophobicContact CD1-CD1 4.47Å; F155-Y519 HydrophobicContact CD1-CE1 4.35Å; F155-Y519 AromaticContact CE1-CD1 3.87Å; F155-Y519 HydrophobicContact CE1-CD1 3.87Å; F155-Y519 HydrophobicContact CE1-CD2 4.4Å; F155-Y519 AromaticContact CE1-CE1 3.73Å; F155-Y519 HydrophobicContact CE1-CE1 3.73Å; F155-Y519 HydrophobicContact CE1-CE2 4.3Å; F155-Y519 HydrophobicContact CE1-CG 4.19Å; F155-Y519 AromaticContact CE1-CZ 3.95Å; C156-Y519 HydrophobicContact CB-CD1 3.81Å; G254-Y519 PolarHBondContact O-OH 2.77Å; E255-Y519 WeakPolarHBondContact CA-OH 3.4Å; E255-Y519 WeakPolarHBondContact CG-OH 3.34Å; P257-Y519 HydrophobicContact CG-CD1 3.57Å; P257-Y519 HydrophobicContact CG-CE1 3.82Å; P257-Y519 HydrophobicContact CG-CG 4.25Å; G435-Y519 PolarHBondContact O-OH 3.13Å; A437-Y519 HydrophobicContact CB-CD2 4.32Å; A437-Y519 HydrophobicContact CB-CE2 4.13Å
520	N	95.3	Very high	94.9	Very high	2 Å²	2	24 Å²	24	1%	0.011	14%	0.141	C	C	.	.	S	Bend	trans	-120.3	-56.9	-172.7	-167.6	47.6	0	0	0	115.2	L101 Q104 G105 M106 R121 N518 R549 Y550	L101-N520 HydrophobicContact CD1-CB 4.22Å; Q104-N520 PolarHBondContact O-ND2 2.88Å; G105-N520 PolarHBondContact O-ND2 2.98Å; G105-N520 PolarHBondContact O-OD1 3.44Å; M106-N520 HydrophobicContact CB-CB 4.13Å; M106-N520 PolarHBondContact N-ND2 2.67Å; M106-N520 HydrophobicContact SD-CB 3.8Å; R121-N520 PolarHBondContact NH1-OD1 2.82Å; N518-N520 VanDerWaalsContact C-N 3.27Å; N518-N520 PolarHBondContact O-N 2.9Å; N518-N520 WeakPolarHBondContact OD1-CA 3.34Å; N518-N520 PolarHBondContact OD1-N 3.33Å; N520-R549 CarbonylContact O-C 3.18Å; N520-R549 WeakPolarHBondContact O-CA 3.11Å; N520-Y550 PolarHBondContact O-N 3.16Å
521	T	94.4	Very high	94.8	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.055	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-165.9	159.6	-168.9	-175.8	0	0	0	0	114.3	R440 G441 N518 S548	R440-T521 WeakPolarHBondContact CA-O 3.44Å; R440-T521 WeakPolarHBondContact CB-O 3.46Å; R440-T521 HydrophobicContact CG-CG2 4.25Å; G441-T521 PolarHBondContact N-O 2.92Å; N518-T521 PolarHBondContact OD1-N 3.35Å; N518-T521 PolarHBondContact OD1-O 3.16Å; T521-S548 WeakPolarHBondContact CB-O 3.38Å; T521-S548 PolarHBondContact OG1-O 2.69Å
522	G	93.5	Very high	94.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	13%	0.134	C	C	.	.			trans	-72.4	171.2	170.2	0	0	0	0	0	113.7	R440 Y550	R440-G522 PolarHBondContact NE-O 2.98Å; R440-G522 PolarHBondContact NH2-O 3.22Å; G522-Y550 VanDerWaalsContact CA-OH 3.28Å; G522-Y550 WeakPolarHBondContact CA-OH 3.46Å; G522-Y550 VanDerWaalsContact N-CZ 3.26Å; G522-Y550 PolarHBondContact N-OH 3.19Å
523	R	91.2	Very high	93.9	Very high	101 Å²	101	29.5 Å²	29.5	38%	0.381	17%	0.168	S	C	.	.	S	Bend	trans	-89.5	-36	165	-69.5	-160.9	-53.5	-65.7	-9.4	112.4	R440 D473	R440-R523 HydrophobicContact CB-CG 3.53Å; R440-R523 PolarHBondContact O-NH1 3.48Å; D473-R523 IonicContact OD1-CZ 2.66Å; D473-R523 IonicContact OD1-NH1 2.65Å; D473-R523 IonicContact OD1-NH2 3.95Å; D473-R523 PolarHBondContact OD1-NH2 3.12Å; D473-R523 IonicContact OD2-CZ 3.32Å; D473-R523 IonicContact OD2-NH1 2.73Å; D473-R523 PolarHBondContact OD2-NH1 3.34Å; D473-R523 IonicContact OD2-NH2 2.81Å; D473-R523 PolarHBondContact OD2-NH2 2.84Å
524	S	89.4	Confident	93.4	Very high	53 Å²	53	30.1 Å²	30.1	37%	0.371	17%	0.171	S	C	.	.			trans	-131.7	170.2	179.5	49	0	0	0	0	109.3
525	V	91.4	Very high	92.8	Very high	33 Å²	33	37.2 Å²	37.2	20%	0.2	21%	0.208	C	C	.	.			trans	-116	132.8	161	-173.3	0	0	0	0	106	A470 P543 P547	A470-V525 HydrophobicContact CB-CG1 3.86Å; A470-V525 CarbonylContact O-C 3.6Å; A470-V525 VanDerWaalsContact O-CA 3.3Å; A470-V525 WeakPolarHBondContact O-CA 3.25Å; A470-V525 WeakPolarHBondContact O-CG1 3.41Å; V525-P543 HydrophobicContact CG1-CB 3.88Å; V525-P547 HydrophobicContact CG2-CB 4.22Å; V525-P547 HydrophobicContact CG2-CG 4.09Å
526	N	92	Very high	91.9	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.171	23%	0.234	C	C	.	.			trans	-79.2	142.5	177.6	-56.7	-24.5	0	0	0	109.7	S466 S469 A470 F472 I528	S466-N526 PolarHBondContact O-ND2 2.98Å; S469-N526 PolarHBondContact O-ND2 3.46Å; A470-N526 PolarHBondContact O-N 3.12Å; F472-N526 PolarHBondContact O-ND2 3.33Å; N526-I528 HydrophobicContact CB-CD1 4Å
527	S	90.3	Very high	91.3	Very high	105 Å²	105	48.1 Å²	48.1	73%	0.734	27%	0.265	S	S	*	.			trans	-69.7	131.6	158.8	-170	0	0	0	0	108.2
528	I	92	Very high	90.7	Very high	20 Å²	20	48.7 Å²	48.7	10%	0.103	27%	0.27	C	S	.	.			trans	-112	116.8	-176.9	-60.4	-59.5	0	0	0	108.1	S466 L467 S469 A470 N526 P540	S466-I528 WeakPolarHBondContact O-CD1 3.35Å; L467-I528 WeakPolarHBondContact O-CD1 3.26Å; S469-I528 VanDerWaalsContact C-CD1 3.43Å; A470-I528 HydrophobicContact CB-CG1 4.04Å; N526-I528 HydrophobicContact CB-CD1 4Å; I528-P540 HydrophobicContact CB-CG 3.98Å; I528-P540 HydrophobicContact CG2-CG 3.73Å
529	P	91.9	Very high	90.2	Very high	20 Å²	20	50.5 Å²	50.5	13%	0.13	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.3	149.7	176.6	-24	33.4	0	0	0	112	R577 L580	P529-R577 HydrophobicContact CB-CB 4.22Å; P529-R577 WeakPolarHBondContact CB-O 3.44Å; P529-R577 PolarHBondContact O-NH1 2.89Å; P529-L580 HydrophobicContact CB-CB 4.3Å
530	A	92.3	Very high	89.3	Confident	46 Å²	46	53 Å²	53	38%	0.38	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-54.6	150.5	164.1	0	0	0	0	0	110	L580	A530-L580 HydrophobicContact CB-CD1 3.93Å
531	A	93.4	Very high	88.4	Confident	4 Å²	4	58 Å²	58	3%	0.033	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-90.5	134.3	175.9	0	0	0	0	0	109.1	D534 A538 S539 W575 R577	A531-D534 HydrophobicContact CB-CB 4.09Å; A531-A538 HydrophobicContact CB-CB 3.92Å; A531-S539 PolarHBondContact N-OG 3.07Å; A531-W575 HydrophobicContact CB-CB 4.13Å; A531-R577 HydrophobicContact CB-CG 4.37Å
532	C	90.9	Very high	87.5	Confident	16 Å²	16	63.4 Å²	63.4	11%	0.108	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	153.1	174	-66.8	0	0	0	0	111.4	D534 W575 P576	C532-D534 PolarHBondContact O-N 3.33Å; C532-W575 WeakPolarHBondContact O-CA 3.29Å; C532-P576 HydrophobicContact CB-CG 4.13Å; C532-P576 PolarHBondContact N-O 3.03Å
533	H	87.1	Confident	86.5	Confident	151 Å²	151	65.9 Å²	65.9	70%	0.699	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	17.8	170.9	-43.3	-66.8	0	0	0	115.7	W575	H533-W575 VanDerWaalsContact C-CD1 3.5Å; H533-W575 VanDerWaalsContact O-CD1 3.27Å; H533-W575 PolarHBondContact O-NE1 2.81Å
534	D	88.7	Confident	85.5	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.064	39%	0.389	C	S	.	.	S	Bend	trans	-91.1	-13.6	-173.9	80.4	-28.6	0	0	0	114.3	A531 C532 G536 R537 A538 S539 W575	A531-D534 HydrophobicContact CB-CB 4.09Å; C532-D534 PolarHBondContact O-N 3.33Å; D534-G536 VanDerWaalsContact CG-N 3.25Å; D534-G536 PolarHBondContact O-N 3.2Å; D534-G536 PolarHBondContact OD1-N 3.17Å; D534-G536 VanDerWaalsContact OD2-C 3.3Å; D534-G536 WeakPolarHBondContact OD2-CA 3.39Å; D534-G536 PolarHBondContact OD2-N 3.04Å; D534-R537 WeakPolarHBondContact O-CB 3.36Å; D534-R537 VanDerWaalsContact O-CG 3.22Å; D534-R537 WeakPolarHBondContact O-CG 3.49Å; D534-R537 PolarHBondContact O-N 2.71Å; D534-R537 PolarHBondContact OD2-N 2.97Å; D534-A538 HydrophobicContact CB-CB 3.9Å; D534-A538 WeakPolarHBondContact OD2-CA 3.15Å; D534-A538 PolarHBondContact OD2-N 3.09Å; D534-S539 WeakPolarHBondContact OD2-CB 3.49Å; D534-S539 PolarHBondContact OD2-N 3.05Å; D534-S539 PolarHBondContact OD2-OG 2.82Å; D534-W575 HydrophobicContact CB-CB 4.24Å; D534-W575 HydrophobicContact CB-CD2 4.01Å; D534-W575 HydrophobicContact CB-CG 3.83Å
535	N	85.4	Confident	84.8	Confident	154 Å²	154	66.5 Å²	66.5	82%	0.824	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	39.1	-169.3	-60.8	-32.2	0	0	0	112.7	R537	N535-R537 VanDerWaalsContact C-N 3.32Å; N535-R537 PolarHBondContact O-N 3.04Å
536	G	80.6	Confident	84.3	Confident	52 Å²	52	72.9 Å²	72.9	54%	0.536	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-0.7	-177.6	0	0	0	0	0	115.7	D534 A538	D534-G536 VanDerWaalsContact CG-N 3.25Å; D534-G536 PolarHBondContact O-N 3.2Å; D534-G536 PolarHBondContact OD1-N 3.17Å; D534-G536 VanDerWaalsContact OD2-C 3.3Å; D534-G536 WeakPolarHBondContact OD2-CA 3.39Å; D534-G536 PolarHBondContact OD2-N 3.04Å; G536-A538 VanDerWaalsContact C-N 3.31Å; G536-A538 PolarHBondContact O-N 3.38Å
537	R	85.1	Confident	83.8	Confident	196 Å²	196	73.4 Å²	73.4	74%	0.74	44%	0.437	S	S	*	.	S	Bend	trans	-72.4	-17.5	-175.9	-64.2	177.5	174.6	-151.3	-0.6	114.7	D534 N535 W575	D534-R537 WeakPolarHBondContact O-CB 3.36Å; D534-R537 VanDerWaalsContact O-CG 3.22Å; D534-R537 WeakPolarHBondContact O-CG 3.49Å; D534-R537 PolarHBondContact O-N 2.71Å; D534-R537 PolarHBondContact OD2-N 2.97Å; N535-R537 VanDerWaalsContact C-N 3.32Å; N535-R537 PolarHBondContact O-N 3.04Å; R537-W575 HydrophobicContact CB-CH2 4.11Å; R537-W575 HydrophobicContact CB-CZ3 4.43Å
538	A	86.3	Confident	83.7	Confident	13 Å²	13	70.2 Å²	70.2	11%	0.107	41%	0.414	C	S	.	.	S	Bend	trans	-130	-17.7	-174.3	0	0	0	0	0	114.1	A531 D534 G536 W575 R577	A531-A538 HydrophobicContact CB-CB 3.92Å; D534-A538 HydrophobicContact CB-CB 3.9Å; D534-A538 WeakPolarHBondContact OD2-CA 3.15Å; D534-A538 PolarHBondContact OD2-N 3.09Å; G536-A538 VanDerWaalsContact C-N 3.31Å; G536-A538 PolarHBondContact O-N 3.38Å; A538-W575 HydrophobicContact CB-CB 4.45Å; A538-W575 HydrophobicContact CB-CD2 4.3Å; A538-W575 HydrophobicContact CB-CE3 3.68Å; A538-W575 HydrophobicContact CB-CZ3 4.28Å; A538-R577 PolarHBondContact O-NH1 3.09Å; A538-R577 PolarHBondContact O-NH2 2.6Å
539	S	84.9	Confident	83.7	Confident	37 Å²	37	74.9 Å²	74.9	26%	0.259	43%	0.431	S	S	.	.	S	Bend	trans	-65.8	119.8	174.2	-65.1	0	0	0	0	109.6	A531 D534	A531-S539 PolarHBondContact N-OG 3.07Å; D534-S539 WeakPolarHBondContact OD2-CB 3.49Å; D534-S539 PolarHBondContact OD2-N 3.05Å; D534-S539 PolarHBondContact OD2-OG 2.82Å
540	P	78.6	Confident	83.9	Confident	57 Å²	57	74 Å²	74	37%	0.37	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-73.7	157.1	-172.3	31.8	-37.7	0	0	0	111.6	I528 R577	I528-P540 HydrophobicContact CB-CG 3.98Å; I528-P540 HydrophobicContact CG2-CG 3.73Å; P540-R577 VanDerWaalsContact CD-NH1 3.35Å
541	P	76.4	Confident	84	Confident	105 Å²	105	73.9 Å²	73.9	68%	0.682	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60	156.9	161.3	29.9	-35.6	0	0	0	110.1
542	P	76.6	Confident	84.2	Confident	124 Å²	124	75 Å²	75	81%	0.805	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-51.4	125.3	177.3	-27.9	35.6	0	0	0	111.6
543	P	71.7	Confident	84.5	Confident	53 Å²	53	79.2 Å²	79.2	34%	0.344	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-67.6	151.4	-176.1	26.6	-34	0	0	0	111.2	A470 V525 A545	A470-P543 HydrophobicContact CB-CB 4.48Å; V525-P543 HydrophobicContact CG1-CB 3.88Å; P543-A545 PolarHBondContact O-N 2.88Å
544	P	71.3	Confident	84.9	Confident	77 Å²	77	73.1 Å²	73.1	50%	0.5	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-56.5	133.5	176.2	-24.6	34.2	0	0	0	111.8	F546	P544-F546 PolarHBondContact O-N 3.37Å
545	A	74.6	Confident	85.3	Confident	90 Å²	90	72.7 Å²	72.7	74%	0.744	41%	0.414	S	S	*	.	S	Bend	trans	-61.6	-12.2	-176.9	0	0	0	0	0	114.7	P543	P543-A545 PolarHBondContact O-N 2.88Å
546	F	79.4	Confident	86	Confident	167 Å²	167	67.3 Å²	67.3	73%	0.732	38%	0.384	S	S	*	.	S	Bend	trans	-135.3	148.7	179.8	-57.8	-74.5	0	0	0	111.1	P544 S548	P544-F546 PolarHBondContact O-N 3.37Å; F546-S548 PolarHBondContact O-N 2.97Å
547	P	82.1	Confident	86.7	Confident	43 Å²	43	68.6 Å²	68.6	28%	0.279	38%	0.376	S	S	.	.			trans	-57.8	113.1	175.3	-23.4	33.1	0	0	0	112	V525	V525-P547 HydrophobicContact CG2-CB 4.22Å; V525-P547 HydrophobicContact CG2-CG 4.09Å
548	S	87.7	Confident	87.3	Confident	37 Å²	37	59.2 Å²	59.2	26%	0.259	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.1	164	171.6	50.9	0	0	0	0	111.4	T521 F546 L554	T521-S548 WeakPolarHBondContact CB-O 3.38Å; T521-S548 PolarHBondContact OG1-O 2.69Å; F546-S548 PolarHBondContact O-N 2.97Å; S548-L554 WeakPolarHBondContact OG-CD1 3.49Å
549	R	92.8	Very high	87.9	Confident	119 Å²	119	58.6 Å²	58.6	45%	0.449	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-73.9	135.2	157.7	-62.7	-165.7	-162.5	-173.4	16.7	108	G105 N520	G105-R549 VanDerWaalsContact O-CZ 3.32Å; G105-R549 PolarHBondContact O-NH1 2.77Å; N520-R549 CarbonylContact O-C 3.18Å; N520-R549 WeakPolarHBondContact O-CA 3.11Å
550	Y	95.3	Very high	88.6	Confident	1 Å²	1	60 Å²	60	0%	0.004	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.2	136.4	-180	-64.2	-30	0	0	0	111.3	R121 G441 C442 H471 N518 N520 G522 L554 F555	R121-Y550 PolarHBondContact NH2-O 2.82Å; G441-Y550 WeakPolarHBondContact CA-OH 3.41Å; C442-Y550 PolarHBondContact N-OH 2.77Å; C442-Y550 VanDerWaalsContact SG-CE2 3.55Å; H471-Y550 HydrophobicContact CB-CE1 3.84Å; H471-Y550 AromaticContact CG-CE1 3.91Å; H471-Y550 PolarHBondContact O-OH 3.31Å; H471-Y550 VanDerWaalsContact O-OH 3.14Å; N518-Y550 HydrophobicContact CB-CE2 4.33Å; N518-Y550 VanDerWaalsContact O-CD2 3.3Å; N518-Y550 WeakPolarHBondContact O-CD2 3.33Å; N520-Y550 PolarHBondContact O-N 3.16Å; G522-Y550 VanDerWaalsContact CA-OH 3.28Å; G522-Y550 WeakPolarHBondContact CA-OH 3.46Å; G522-Y550 VanDerWaalsContact N-CZ 3.26Å; G522-Y550 PolarHBondContact N-OH 3.19Å; Y550-L554 HydrophobicContact CD1-CB 4.44Å; Y550-L554 HydrophobicContact CD1-CD1 4.39Å; Y550-F555 AromaticContact CD2-CE1 3.67Å; Y550-F555 HydrophobicContact CD2-CE1 3.67Å; Y550-F555 AromaticContact CD2-CZ 3.93Å; Y550-F555 HydrophobicContact CD2-CZ 3.93Å; Y550-F555 HydrophobicContact CE2-CE1 4.37Å; Y550-F555 HydrophobicContact CG-CE1 4.18Å; Y550-F555 HydrophobicContact CG-CZ 4.24Å
551	T	95.9	Very high	89.5	Confident	44 Å²	44	57.3 Å²	57.3	27%	0.27	32%	0.318	S	S	.	.			trans	-113.3	175.3	170.2	68.3	0	0	0	0	108.9	Y157 E553 L554 F555	Y157-T551 WeakPolarHBondContact OH-CA 3.48Å; T551-E553 VanDerWaalsContact C-N 3.32Å; T551-E553 WeakPolarHBondContact CB-OE2 3.46Å; T551-E553 PolarHBondContact O-N 2.69Å; T551-E553 PolarHBondContact OG1-OE2 3.1Å; T551-L554 PolarHBondContact O-N 2.83Å; T551-F555 VanDerWaalsContact O-CD2 3.25Å; T551-F555 WeakPolarHBondContact O-CD2 3.22Å; T551-F555 PolarHBondContact O-N 3.44Å
552	V	97.3	Very high	90.6	Very high	27 Å²	27	52.3 Å²	52.3	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-46.6	178.1	167.1	0	0	0	0	111.1	Y157 F260 L554 F555 E556	Y157-V552 HydrophobicContact CD1-CG2 3.9Å; Y157-V552 HydrophobicContact CD2-CG2 4.01Å; Y157-V552 HydrophobicContact CE1-CG2 4.06Å; Y157-V552 HydrophobicContact CE2-CG2 4.18Å; Y157-V552 HydrophobicContact CG-CG2 3.86Å; F260-V552 HydrophobicContact CB-CG1 4.34Å; F260-V552 HydrophobicContact CD1-CB 4.24Å; F260-V552 HydrophobicContact CD1-CG1 3.51Å; F260-V552 HydrophobicContact CD1-CG2 3.89Å; F260-V552 HydrophobicContact CD2-CG2 4.39Å; F260-V552 HydrophobicContact CE1-CG1 4.06Å; F260-V552 HydrophobicContact CE1-CG2 3.83Å; F260-V552 HydrophobicContact CE2-CG2 4.35Å; F260-V552 HydrophobicContact CG-CB 4.5Å; F260-V552 HydrophobicContact CG-CG1 4.06Å; F260-V552 HydrophobicContact CG-CG2 4.17Å; F260-V552 HydrophobicContact CZ-CG2 4.07Å; V552-L554 PolarHBondContact O-N 3.34Å; V552-L554 VanDerWaalsContact O-N 3.17Å; V552-F555 WeakPolarHBondContact O-CB 3.08Å; V552-F555 PolarHBondContact O-N 3.05Å; V552-E556 HydrophobicContact CG1-CG 4.4Å; V552-E556 WeakPolarHBondContact CG1-OE1 3.43Å; V552-E556 WeakPolarHBondContact O-CG 3.28Å; V552-E556 PolarHBondContact O-N 3.42Å
553	E	96.1	Very high	91.6	Very high	105 Å²	105	46.4 Å²	46.4	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-27.3	-178.3	-50.2	84.9	166.8	0	0	112.7	T551 Q557	T551-E553 VanDerWaalsContact C-N 3.32Å; T551-E553 WeakPolarHBondContact CB-OE2 3.46Å; T551-E553 PolarHBondContact O-N 2.69Å; T551-E553 PolarHBondContact OG1-OE2 3.1Å; E553-Q557 WeakPolarHBondContact O-CG 3.39Å; E553-Q557 PolarHBondContact O-N 3.29Å
554	L	95.7	Very high	92.9	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-81.4	-26.4	177.6	-59.3	-172.5	0	0	0	112.6	S548 Y550 T551 V552	S548-L554 WeakPolarHBondContact OG-CD1 3.49Å; Y550-L554 HydrophobicContact CD1-CB 4.44Å; Y550-L554 HydrophobicContact CD1-CD1 4.39Å; T551-L554 PolarHBondContact O-N 2.83Å; V552-L554 PolarHBondContact O-N 3.34Å; V552-L554 VanDerWaalsContact O-N 3.17Å
555	F	98.2	Very high	94.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-72.7	-42.3	166.8	-64.6	-57.3	0	0	0	110.6	P257 F260 V261 C517 N518 Y550 T551 V552 Q557 V558 G559	P257-F555 HydrophobicContact CB-CD1 4.18Å; P257-F555 HydrophobicContact CB-CE1 3.87Å; P257-F555 HydrophobicContact CB-CE2 4.25Å; P257-F555 HydrophobicContact CB-CZ 3.91Å; P257-F555 HydrophobicContact CG-CE1 4.48Å; P257-F555 HydrophobicContact CG-CE2 4.43Å; P257-F555 HydrophobicContact CG-CZ 4.09Å; F260-F555 HydrophobicContact CB-CB 3.64Å; F260-F555 HydrophobicContact CB-CD2 4.2Å; F260-F555 HydrophobicContact CB-CG 4.3Å; F260-F555 HydrophobicContact CD2-CD2 4.36Å; V261-F555 HydrophobicContact CG2-CB 3.98Å; V261-F555 HydrophobicContact CG2-CD1 4.45Å; C517-F555 HydrophobicContact CB-CD1 4.21Å; C517-F555 HydrophobicContact CB-CE1 4Å; N518-F555 WeakPolarHBondContact O-CE1 3.3Å; N518-F555 WeakPolarHBondContact O-CZ 3.32Å; Y550-F555 AromaticContact CD2-CE1 3.67Å; Y550-F555 HydrophobicContact CD2-CE1 3.67Å; Y550-F555 AromaticContact CD2-CZ 3.93Å; Y550-F555 HydrophobicContact CD2-CZ 3.93Å; Y550-F555 HydrophobicContact CE2-CE1 4.37Å; Y550-F555 HydrophobicContact CG-CE1 4.18Å; Y550-F555 HydrophobicContact CG-CZ 4.24Å; T551-F555 VanDerWaalsContact O-CD2 3.25Å; T551-F555 WeakPolarHBondContact O-CD2 3.22Å; T551-F555 PolarHBondContact O-N 3.44Å; V552-F555 WeakPolarHBondContact O-CB 3.08Å; V552-F555 PolarHBondContact O-N 3.05Å; F555-Q557 VanDerWaalsContact C-N 3.29Å; F555-Q557 PolarHBondContact O-N 3.36Å; F555-V558 WeakPolarHBondContact O-CB 3.47Å; F555-V558 PolarHBondContact O-N 3.09Å; F555-G559 PolarHBondContact O-N 3.17Å; F555-G559 VanDerWaalsContact O-N 3.12Å
556	E	98.5	Very high	95.3	Very high	42 Å²	42	36.3 Å²	36.3	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-39.3	175.9	-69.5	168.2	-176.4	0	0	112.4	F260 V552 V558 G559 R560	F260-E556 WeakPolarHBondContact O-CA 3.34Å; F260-E556 WeakPolarHBondContact O-CG 3.27Å; V552-E556 HydrophobicContact CG1-CG 4.4Å; V552-E556 WeakPolarHBondContact CG1-OE1 3.43Å; V552-E556 WeakPolarHBondContact O-CG 3.28Å; V552-E556 PolarHBondContact O-N 3.42Å; E556-V558 VanDerWaalsContact C-N 3.28Å; E556-V558 PolarHBondContact O-N 2.83Å; E556-G559 PolarHBondContact O-N 2.99Å; E556-R560 WeakPolarHBondContact O-CB 3.29Å; E556-R560 PolarHBondContact O-N 2.87Å
557	Q	96.4	Very high	96.2	Very high	78 Å²	78	28.3 Å²	28.3	36%	0.364	14%	0.138	S	C	.	.	H	α-helix	trans	-61.7	-32.1	173.4	-78	170.9	29.1	0	0	113.3	E553 F555 A561	E553-Q557 WeakPolarHBondContact O-CG 3.39Å; E553-Q557 PolarHBondContact O-N 3.29Å; F555-Q557 VanDerWaalsContact C-N 3.29Å; F555-Q557 PolarHBondContact O-N 3.36Å; Q557-A561 WeakPolarHBondContact O-CB 3.39Å; Q557-A561 PolarHBondContact O-N 2.9Å
558	V	98.3	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.1	-42.3	173.5	172.6	0	0	0	0	110.6	C442 S469 H471 F472 L515 F555 E556 A561 M562	C442-V558 HydrophobicContact CB-CG1 4.21Å; C442-V558 HydrophobicContact CB-CG2 4.08Å; S469-V558 WeakPolarHBondContact OG-CG2 3.33Å; H471-V558 HydrophobicContact CB-CG2 4.3Å; F472-V558 HydrophobicContact CD2-CG1 4.14Å; L515-V558 HydrophobicContact CD1-CG1 4.11Å; F555-V558 WeakPolarHBondContact O-CB 3.47Å; F555-V558 PolarHBondContact O-N 3.09Å; E556-V558 VanDerWaalsContact C-N 3.28Å; E556-V558 PolarHBondContact O-N 2.83Å; V558-A561 PolarHBondContact O-N 2.98Å; V558-M562 WeakPolarHBondContact O-CB 3.17Å; V558-M562 PolarHBondContact O-N 3.05Å
559	G	98.7	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-46.7	173	0	0	0	0	0	112.5	V261 F265 F555 E556 A561 M562 A563	V261-G559 VanDerWaalsContact O-CA 3.31Å; V261-G559 WeakPolarHBondContact O-CA 3.39Å; F265-G559 WeakPolarHBondContact CD2-O 3.46Å; F555-G559 PolarHBondContact O-N 3.17Å; F555-G559 VanDerWaalsContact O-N 3.12Å; E556-G559 PolarHBondContact O-N 2.99Å; G559-A561 PolarHBondContact O-N 3.09Å; G559-M562 WeakPolarHBondContact O-CB 3.48Å; G559-M562 PolarHBondContact O-N 3.49Å; G559-A563 PolarHBondContact O-N 3.21Å; G559-A563 VanDerWaalsContact O-N 3.15Å
560	R	98.6	Very high	97.5	Very high	66 Å²	66	22.3 Å²	22.3	25%	0.249	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.5	-170	171.6	-52.4	157.2	14	113	G264 F268 E556 M562 A563 I564	G264-R560 PolarHBondContact O-N 3.14Å; F268-R560 HydrophobicContact CB-CB 4.47Å; F268-R560 HydrophobicContact CB-CG 3.99Å; F268-R560 HydrophobicContact CD1-CG 4.31Å; F268-R560 HydrophobicContact CD2-CG 3.52Å; F268-R560 HydrophobicContact CE2-CG 4.01Å; F268-R560 HydrophobicContact CG-CG 3.68Å; E556-R560 WeakPolarHBondContact O-CB 3.29Å; E556-R560 PolarHBondContact O-N 2.87Å; R560-M562 VanDerWaalsContact C-N 3.32Å; R560-M562 PolarHBondContact O-N 3.08Å; R560-A563 WeakPolarHBondContact O-CB 3.17Å; R560-A563 PolarHBondContact O-N 2.84Å; R560-I564 HydrophobicContact CG-CD1 4.13Å; R560-I564 WeakPolarHBondContact O-CG1 3.37Å; R560-I564 PolarHBondContact O-N 2.87Å
561	A	98.4	Very high	97.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-33.5	177.7	0	0	0	0	0	112.9	I465 N468 Q557 V558 G559 A563 I564 A565	I465-A561 HydrophobicContact CG2-CB 4.08Å; N468-A561 HydrophobicContact CB-CB 3.67Å; Q557-A561 WeakPolarHBondContact O-CB 3.39Å; Q557-A561 PolarHBondContact O-N 2.9Å; V558-A561 PolarHBondContact O-N 2.98Å; G559-A561 PolarHBondContact O-N 3.09Å; A561-A563 VanDerWaalsContact C-N 3.34Å; A561-I564 PolarHBondContact O-N 3.48Å; A561-A565 VanDerWaalsContact O-CB 3.28Å; A561-A565 WeakPolarHBondContact O-CB 3.46Å; A561-A565 PolarHBondContact O-N 3.2Å
562	M	98.6	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-37.4	174.2	-176.7	177.6	72.3	0	0	112.2	L247 F265 V431 L433 M444 Y461 I465 L515 V558 G559 R560	L247-M562 HydrophobicContact CD1-CE 3.59Å; L247-M562 HydrophobicContact CD2-CE 4.05Å; F265-M562 HydrophobicContact CB-CE 4.41Å; F265-M562 HydrophobicContact CD2-CB 4.46Å; F265-M562 HydrophobicContact CD2-CE 3.4Å; F265-M562 HydrophobicContact CE2-CE 3.87Å; F265-M562 HydrophobicContact CG-CE 4.12Å; V431-M562 HydrophobicContact CB-SD 4.44Å; V431-M562 HydrophobicContact CG1-SD 3.85Å; V431-M562 HydrophobicContact CG2-SD 4.39Å; L433-M562 HydrophobicContact CD2-CE 4.27Å; L433-M562 HydrophobicContact CD2-SD 4.32Å; M444-M562 HydrophobicContact CE-CG 4.22Å; M444-M562 HydrophobicContact CE-SD 3.86Å; Y461-M562 WeakPolarHBondContact OH-CG 3.35Å; Y461-M562 PolarHBondContact OH-O 2.89Å; I465-M562 HydrophobicContact CD1-CB 4.14Å; I465-M562 HydrophobicContact CD1-CG 3.98Å; L515-M562 HydrophobicContact CD1-SD 3.67Å; V558-M562 WeakPolarHBondContact O-CB 3.17Å; V558-M562 PolarHBondContact O-N 3.05Å; G559-M562 WeakPolarHBondContact O-CB 3.48Å; G559-M562 PolarHBondContact O-N 3.49Å; R560-M562 VanDerWaalsContact C-N 3.32Å; R560-M562 PolarHBondContact O-N 3.08Å
563	A	98.6	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-50.5	171.6	0	0	0	0	0	111.9	F265 F268 I269 L280 G559 R560 A561 A565 A566	F265-A563 HydrophobicContact CD2-CB 3.67Å; F265-A563 HydrophobicContact CE2-CB 3.66Å; F265-A563 HydrophobicContact CG-CB 4.4Å; F265-A563 HydrophobicContact CZ-CB 4.37Å; F268-A563 HydrophobicContact CD1-CB 3.62Å; F268-A563 HydrophobicContact CE1-CB 4.08Å; I269-A563 HydrophobicContact CG2-CB 4.44Å; L280-A563 HydrophobicContact CD1-CB 3.85Å; G559-A563 PolarHBondContact O-N 3.21Å; G559-A563 VanDerWaalsContact O-N 3.15Å; R560-A563 WeakPolarHBondContact O-CB 3.17Å; R560-A563 PolarHBondContact O-N 2.84Å; A561-A563 VanDerWaalsContact C-N 3.34Å; A563-A565 VanDerWaalsContact C-N 3.31Å; A563-A565 PolarHBondContact O-N 3.31Å; A563-A566 WeakPolarHBondContact O-CB 3.43Å; A563-A566 PolarHBondContact O-N 3.02Å; A563-A566 VanDerWaalsContact O-N 3.1Å
564	I	98.4	Very high	97.6	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.036	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-39.5	-178.7	-63.6	167.1	0	0	0	111.6	F268 N468 R560 A561 A566 L567 D568 N573	F268-I564 HydrophobicContact CD1-CG1 4.48Å; F268-I564 HydrophobicContact CE1-CD1 4.3Å; F268-I564 HydrophobicContact CE1-CG1 3.54Å; F268-I564 HydrophobicContact CE2-CD1 4.27Å; F268-I564 HydrophobicContact CE2-CG1 4.37Å; F268-I564 HydrophobicContact CZ-CD1 3.81Å; F268-I564 HydrophobicContact CZ-CG1 3.46Å; F268-I564 VanDerWaalsContact CZ-CG1 3.46Å; N468-I564 WeakPolarHBondContact OD1-CG2 3.48Å; R560-I564 HydrophobicContact CG-CD1 4.13Å; R560-I564 WeakPolarHBondContact O-CG1 3.37Å; R560-I564 PolarHBondContact O-N 2.87Å; A561-I564 PolarHBondContact O-N 3.48Å; I564-A566 PolarHBondContact O-N 3.45Å; I564-A566 VanDerWaalsContact O-N 3.11Å; I564-L567 WeakPolarHBondContact O-CB 3.21Å; I564-L567 PolarHBondContact O-N 3.28Å; I564-D568 PolarHBondContact O-N 2.92Å; I564-N573 WeakPolarHBondContact CG2-ND2 3.46Å
565	A	98.5	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-20.4	178.1	0	0	0	0	0	114.1	Y461 L464 I465 A561 A563 M569	Y461-A565 HydrophobicContact CD2-CB 3.94Å; Y461-A565 HydrophobicContact CE2-CB 3.72Å; L464-A565 HydrophobicContact CB-CB 3.86Å; I465-A565 HydrophobicContact CB-CB 4.38Å; I465-A565 HydrophobicContact CG1-CB 3.58Å; A561-A565 VanDerWaalsContact O-CB 3.28Å; A561-A565 WeakPolarHBondContact O-CB 3.46Å; A561-A565 PolarHBondContact O-N 3.2Å; A563-A565 VanDerWaalsContact C-N 3.31Å; A563-A565 PolarHBondContact O-N 3.31Å; A565-M569 WeakPolarHBondContact O-CG 3.29Å; A565-M569 PolarHBondContact O-N 3.37Å
566	A	98.3	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-75.1	-28.7	174.2	0	0	0	0	0	112.1	F245 L280 F284 Y429 Y461 A563 I564 A570	F245-A566 HydrophobicContact CD2-CB 4.48Å; F245-A566 HydrophobicContact CE2-CB 4.14Å; L280-A566 HydrophobicContact CD2-CB 4.2Å; F284-A566 HydrophobicContact CE2-CB 4.19Å; F284-A566 HydrophobicContact CZ-CB 4.4Å; Y429-A566 HydrophobicContact CE2-CB 4.19Å; Y461-A566 HydrophobicContact CE2-CB 4.21Å; A563-A566 WeakPolarHBondContact O-CB 3.43Å; A563-A566 PolarHBondContact O-N 3.02Å; A563-A566 VanDerWaalsContact O-N 3.1Å; I564-A566 PolarHBondContact O-N 3.45Å; I564-A566 VanDerWaalsContact O-N 3.11Å; A566-A570 WeakPolarHBondContact O-CB 3.43Å; A566-A570 PolarHBondContact O-N 3.04Å
567	L	98.1	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-73.8	-37.6	169.3	-62.2	175.6	0	0	0	112.1	R276 T279 L280 L283 I564 M569 A570 E571 C572 N573	R276-L567 HydrophobicContact CB-CD1 3.59Å; R276-L567 HydrophobicContact CG-CD1 4.07Å; R276-L567 WeakPolarHBondContact O-CD1 3.42Å; T279-L567 HydrophobicContact CG2-CD2 3.69Å; L280-L567 HydrophobicContact CD1-CD1 4.49Å; L280-L567 HydrophobicContact CD1-CG 4.49Å; L280-L567 HydrophobicContact CD2-CD2 3.76Å; L280-L567 HydrophobicContact CD2-CG 3.76Å; L280-L567 HydrophobicContact CG-CD1 4.03Å; L280-L567 HydrophobicContact CG-CD2 3.75Å; L280-L567 HydrophobicContact CG-CG 3.73Å; L283-L567 HydrophobicContact CD1-CD2 3.82Å; I564-L567 WeakPolarHBondContact O-CB 3.21Å; I564-L567 PolarHBondContact O-N 3.28Å; L567-M569 VanDerWaalsContact C-N 3.34Å; L567-A570 CarbonylContact O-C 3.33Å; L567-A570 PolarHBondContact O-N 3.15Å; L567-E571 PolarHBondContact O-N 3.09Å; L567-C572 PolarHBondContact O-N 3.5Å; L567-C572 VanDerWaalsContact O-N 3.13Å; L567-N573 HydrophobicContact CB-CB 3.6Å; L567-N573 HydrophobicContact CD1-CB 4.41Å; L567-N573 PolarHBondContact O-N 3.19Å
568	D	97.6	Very high	97.3	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-39.6	175.2	-68.2	-41.6	0	0	0	110.7	L464 N468 I564 A570 E571 N573	L464-D568 HydrophobicContact CB-CB 4.38Å; L464-D568 HydrophobicContact CD1-CB 3.85Å; L464-D568 HydrophobicContact CD2-CB 3.92Å; L464-D568 HydrophobicContact CG-CB 4.27Å; N468-D568 PolarHBondContact ND2-OD2 3.32Å; I564-D568 PolarHBondContact O-N 2.92Å; D568-A570 VanDerWaalsContact C-N 3.29Å; D568-A570 PolarHBondContact O-N 3.13Å; D568-E571 PolarHBondContact O-N 2.78Å; D568-N573 WeakPolarHBondContact OD1-CB 3.44Å; D568-N573 PolarHBondContact OD1-ND2 2.82Å
569	M	96.9	Very high	97.1	Very high	18 Å²	18	24.6 Å²	24.6	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-32.4	172.3	-81.4	-64.6	-56.6	0	0	113.6	Y429 L460 Y461 L464 A565 L567 E571	Y429-M569 VanDerWaalsContact OH-CB 3.28Å; Y429-M569 WeakPolarHBondContact OH-CB 3.5Å; Y429-M569 WeakPolarHBondContact OH-CG 3.36Å; L460-M569 HydrophobicContact CB-CE 4.49Å; L460-M569 HydrophobicContact CB-SD 3.88Å; L460-M569 HydrophobicContact CD2-CE 4.09Å; L460-M569 HydrophobicContact CD2-SD 3.77Å; L460-M569 HydrophobicContact CG-SD 3.69Å; Y461-M569 HydrophobicContact CD2-CG 3.69Å; Y461-M569 HydrophobicContact CG-CG 4.19Å; L464-M569 HydrophobicContact CD1-CB 4.33Å; L464-M569 HydrophobicContact CD1-CG 3.59Å; L464-M569 HydrophobicContact CD1-SD 3.58Å; L464-M569 VanDerWaalsContact CD1-SD 3.58Å; A565-M569 WeakPolarHBondContact O-CG 3.29Å; A565-M569 PolarHBondContact O-N 3.37Å; L567-M569 VanDerWaalsContact C-N 3.34Å; M569-E571 VanDerWaalsContact C-N 3.33Å
570	A	95.8	Very high	96.9	Very high	46 Å²	46	29.5 Å²	29.5	38%	0.38	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.5	178.9	0	0	0	0	0	112.8	A566 L567 D568 C572	A566-A570 WeakPolarHBondContact O-CB 3.43Å; A566-A570 PolarHBondContact O-N 3.04Å; L567-A570 CarbonylContact O-C 3.33Å; L567-A570 PolarHBondContact O-N 3.15Å; D568-A570 VanDerWaalsContact C-N 3.29Å; D568-A570 PolarHBondContact O-N 3.13Å; A570-C572 WeakPolarHBondContact CB-SG 3.29Å; A570-C572 WeakPolarHBondContact O-CB 3.33Å; A570-C572 PolarHBondContact O-N 3.37Å; A570-C572 PolarHBondContact O-SG 2.9Å
571	E	96.3	Very high	96.8	Very high	119 Å²	119	26.9 Å²	26.9	56%	0.556	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	28.5	175.2	-55.4	-168.2	68.2	0	0	114.6	L567 D568 M569 L586 R590	L567-E571 PolarHBondContact O-N 3.09Å; D568-E571 PolarHBondContact O-N 2.78Å; M569-E571 VanDerWaalsContact C-N 3.33Å; E571-L586 HydrophobicContact CG-CB 4.25Å; E571-L586 HydrophobicContact CG-CD2 3.49Å; E571-L586 VanDerWaalsContact CG-CD2 3.49Å; E571-L586 HydrophobicContact CG-CG 4.48Å; E571-R590 IonicContact OE2-CZ 2.73Å; E571-R590 IonicContact OE2-NH1 2.74Å; E571-R590 PolarHBondContact OE2-NH1 3.07Å; E571-R590 IonicContact OE2-NH2 3.17Å
572	C	96.4	Very high	96.6	Very high	46 Å²	46	33.7 Å²	33.7	31%	0.311	18%	0.183	S	C	.	.			trans	-134.1	17.2	-171.7	58.2	0	0	0	0	113.8	L283 L567 A570 P574	L283-C572 WeakPolarHBondContact CD1-SG 3.5Å; L567-C572 PolarHBondContact O-N 3.5Å; L567-C572 VanDerWaalsContact O-N 3.13Å; A570-C572 WeakPolarHBondContact CB-SG 3.29Å; A570-C572 WeakPolarHBondContact O-CB 3.33Å; A570-C572 PolarHBondContact O-N 3.37Å; A570-C572 PolarHBondContact O-SG 2.9Å; C572-P574 VanDerWaalsContact O-CD 3.25Å; C572-P574 WeakPolarHBondContact O-CD 3.38Å
573	N	97.1	Very high	96.5	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.064	19%	0.185	C	C	.	.			trans	-62.7	119.7	173	-176.3	-2.5	0	0	0	110.4	I564 L567 D568 W575 P576	I564-N573 WeakPolarHBondContact CG2-ND2 3.46Å; L567-N573 HydrophobicContact CB-CB 3.6Å; L567-N573 HydrophobicContact CD1-CB 4.41Å; L567-N573 PolarHBondContact O-N 3.19Å; D568-N573 WeakPolarHBondContact OD1-CB 3.44Å; D568-N573 PolarHBondContact OD1-ND2 2.82Å; N573-W575 PolarHBondContact ND2-O 3.32Å; N573-W575 PolarHBondContact O-N 3.49Å; N573-W575 PolarHBondContact OD1-N 2.83Å; N573-W575 PolarHBondContact OD1-O 3.12Å; N573-P576 HydrophobicContact CB-CB 4.32Å; N573-P576 WeakPolarHBondContact O-CD 3.48Å
574	P	96.3	Very high	96.3	Very high	41 Å²	41	37.6 Å²	37.6	27%	0.266	21%	0.21	S	C	.	.	S	Bend	trans	-59.4	-28.8	176.6	-27.1	36.3	0	0	0	114	P275 C572	P275-P574 HydrophobicContact CB-CB 4.29Å; P275-P574 HydrophobicContact CB-CG 4.27Å; P275-P574 HydrophobicContact CG-CB 4.4Å; C572-P574 VanDerWaalsContact O-CD 3.25Å; C572-P574 WeakPolarHBondContact O-CD 3.38Å
575	W	96.4	Very high	96.2	Very high	29 Å²	29	39.1 Å²	39.1	11%	0.11	22%	0.221	C	C	.	.	S	Bend	trans	-126.5	70.7	-179.4	-59.8	-32	0	0	0	110.7	P275 R276 A531 C532 H533 D534 R537 A538 N573	P275-W575 VanDerWaalsContact CD-CH2 3.45Å; P275-W575 HydrophobicContact CG-CD2 4.26Å; P275-W575 HydrophobicContact CG-CE3 4.39Å; P275-W575 HydrophobicContact CG-CH2 3.65Å; P275-W575 HydrophobicContact CG-CZ2 3.47Å; P275-W575 VanDerWaalsContact CG-CZ2 3.47Å; P275-W575 HydrophobicContact CG-CZ3 4.12Å; R276-W575 HydrophobicContact CG-CE3 4.21Å; R276-W575 VanDerWaalsContact CZ-CE3 3.5Å; A531-W575 HydrophobicContact CB-CB 4.13Å; C532-W575 WeakPolarHBondContact O-CA 3.29Å; H533-W575 VanDerWaalsContact C-CD1 3.5Å; H533-W575 VanDerWaalsContact O-CD1 3.27Å; H533-W575 PolarHBondContact O-NE1 2.81Å; D534-W575 HydrophobicContact CB-CB 4.24Å; D534-W575 HydrophobicContact CB-CD2 4.01Å; D534-W575 HydrophobicContact CB-CG 3.83Å; R537-W575 HydrophobicContact CB-CH2 4.11Å; R537-W575 HydrophobicContact CB-CZ3 4.43Å; A538-W575 HydrophobicContact CB-CB 4.45Å; A538-W575 HydrophobicContact CB-CD2 4.3Å; A538-W575 HydrophobicContact CB-CE3 3.68Å; A538-W575 HydrophobicContact CB-CZ3 4.28Å; N573-W575 PolarHBondContact ND2-O 3.32Å; N573-W575 PolarHBondContact O-N 3.49Å; N573-W575 PolarHBondContact OD1-N 2.83Å; N573-W575 PolarHBondContact OD1-O 3.12Å
576	P	95.6	Very high	96.2	Very high	21 Å²	21	39.4 Å²	39.4	14%	0.136	22%	0.222	C	C	.	.			trans	-74.6	141.6	-172.3	31.6	-33.1	0	0	0	111.3	C532 N573 I578 V579	C532-P576 HydrophobicContact CB-CG 4.13Å; C532-P576 PolarHBondContact N-O 3.03Å; N573-P576 HydrophobicContact CB-CB 4.32Å; N573-P576 WeakPolarHBondContact O-CD 3.48Å; P576-I578 HydrophobicContact CB-CG2 4.49Å; P576-V579 HydrophobicContact CB-CG2 4.35Å; P576-V579 HydrophobicContact CG-CG2 4.05Å
577	R	95.4	Very high	96.1	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.06	25%	0.25	C	C	.	.	S	Bend	trans	-95.5	-21.9	172.6	-65.9	-172.2	-165.7	-69.9	-3.7	113.5	L467 N468 P529 A531 A538 P540 V579 L580 S581	L467-R577 WeakPolarHBondContact O-CD 3.34Å; N468-R577 VanDerWaalsContact OD1-CD 3.31Å; N468-R577 WeakPolarHBondContact OD1-CD 3.09Å; N468-R577 PolarHBondContact OD1-NE 2.81Å; N468-R577 VanDerWaalsContact OD1-NE 3.07Å; P529-R577 HydrophobicContact CB-CB 4.22Å; P529-R577 WeakPolarHBondContact CB-O 3.44Å; P529-R577 PolarHBondContact O-NH1 2.89Å; A531-R577 HydrophobicContact CB-CG 4.37Å; A538-R577 PolarHBondContact O-NH1 3.09Å; A538-R577 PolarHBondContact O-NH2 2.6Å; P540-R577 VanDerWaalsContact CD-NH1 3.35Å; R577-V579 PolarHBondContact O-N 2.99Å; R577-L580 PolarHBondContact O-N 3.36Å; R577-S581 PolarHBondContact O-N 3.19Å
578	I	95.4	Very high	96.1	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.077	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.1	-32.4	-174.1	-168.6	161	0	0	0	112.4	L464 L467 P576 L580 S581 S584 S585 L586 L589	L464-I578 HydrophobicContact CD2-CD1 3.93Å; L467-I578 HydrophobicContact CD1-CB 4.39Å; L467-I578 HydrophobicContact CD1-CG1 4.34Å; P576-I578 HydrophobicContact CB-CG2 4.49Å; I578-L580 VanDerWaalsContact C-N 3.34Å; I578-L580 PolarHBondContact O-N 3.3Å; I578-S581 WeakPolarHBondContact O-CB 3.48Å; I578-S581 PolarHBondContact O-N 2.68Å; I578-S581 VanDerWaalsContact O-N 3.09Å; I578-S581 PolarHBondContact O-OG 2.82Å; I578-S584 CarbonylContact O-C 3.56Å; I578-S584 WeakPolarHBondContact O-CA 3.48Å; I578-S584 PolarHBondContact O-N 2.94Å; I578-S585 WeakPolarHBondContact CD1-O 3.49Å; I578-L586 HydrophobicContact CD1-CB 4.17Å; I578-L586 HydrophobicContact CD1-CD1 3.79Å; I578-L589 HydrophobicContact CD1-CB 3.99Å; I578-L589 HydrophobicContact CD1-CD2 3.78Å
579	V	94.8	Very high	96.2	Very high	72 Å²	72	47.5 Å²	47.5	44%	0.436	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.4	-39.4	178.4	-179.5	0	0	0	0	112.5	P576 R577 S584	P576-V579 HydrophobicContact CB-CG2 4.35Å; P576-V579 HydrophobicContact CG-CG2 4.05Å; R577-V579 PolarHBondContact O-N 2.99Å; V579-S584 WeakPolarHBondContact CA-O 3.39Å
580	L	94.2	Very high	96.2	Very high	102 Å²	102	49.6 Å²	49.6	53%	0.534	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-98.6	13.3	176.9	-61.6	175.5	0	0	0	112.8	P529 A530 R577 I578	P529-L580 HydrophobicContact CB-CB 4.3Å; A530-L580 HydrophobicContact CB-CD1 3.93Å; R577-L580 PolarHBondContact O-N 3.36Å; I578-L580 VanDerWaalsContact C-N 3.34Å; I578-L580 PolarHBondContact O-N 3.3Å
581	S	94.9	Very high	96.3	Very high	11 Å²	11	50.4 Å²	50.4	8%	0.077	28%	0.283	C	S	.	.	S	Bend	trans	-90.3	168.7	176.4	81.9	0	0	0	0	112.2	R577 I578 H583 S584	R577-S581 PolarHBondContact O-N 3.19Å; I578-S581 WeakPolarHBondContact O-CB 3.48Å; I578-S581 PolarHBondContact O-N 2.68Å; I578-S581 VanDerWaalsContact O-N 3.09Å; I578-S581 PolarHBondContact O-OG 2.82Å; S581-H583 PolarHBondContact O-N 3.24Å; S581-H583 PolarHBondContact OG-N 3.23Å; S581-S584 PolarHBondContact O-N 3.5Å; S581-S584 VanDerWaalsContact O-N 3.07Å
582	E	94.6	Very high	96.4	Very high	144 Å²	144	49.1 Å²	49.1	67%	0.673	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-11.7	169.9	72.7	-165.9	175.9	0	0	114.9	K463	K463-E582 IonicContact NZ-OE1 3.59Å; K463-E582 PolarHBondContact NZ-OE1 2.96Å
583	H	96.2	Very high	96.5	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.046	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-25.6	177.7	-54.5	-77.7	0	0	0	113.7	K463 S581 S585 N588 L589 W592	K463-H583 WeakPolarHBondContact CE-NE2 3.39Å; K463-H583 PolarHBondContact NZ-NE2 3.29Å; S581-H583 PolarHBondContact O-N 3.24Å; S581-H583 PolarHBondContact OG-N 3.23Å; H583-S585 PolarHBondContact O-N 2.81Å; H583-N588 HydrophobicContact CB-CB 4.46Å; H583-N588 WeakPolarHBondContact O-CB 2.98Å; H583-N588 PolarHBondContact O-ND2 2.87Å; H583-L589 HydrophobicContact CB-CB 3.93Å; H583-L589 WeakPolarHBondContact ND1-CD1 3.5Å; H583-W592 AromaticContact CE1-CD1 2.86Å; H583-W592 AromaticContact CE1-CD2 2.79Å; H583-W592 AromaticContact CE1-CE2 3Å; H583-W592 AromaticContact CE1-CE3 3.51Å; H583-W592 AromaticContact CE1-CG 2.75Å; H583-W592 AromaticContact CE1-CZ2 3.87Å; H583-W592 AromaticContact CE1-NE1 2.99Å; H583-W592 PolarHBondContact CE1-NE1 3.34Å; H583-W592 AromaticContact ND1-CG 3.84Å
584	S	95.9	Very high	96.5	Very high	73 Å²	73	48.7 Å²	48.7	51%	0.51	27%	0.267	S	S	.	.			trans	57.8	-21.5	-173.1	-46.4	0	0	0	0	118.3	I578 V579 S581	I578-S584 CarbonylContact O-C 3.56Å; I578-S584 WeakPolarHBondContact O-CA 3.48Å; I578-S584 PolarHBondContact O-N 2.94Å; V579-S584 WeakPolarHBondContact CA-O 3.39Å; S581-S584 PolarHBondContact O-N 3.5Å; S581-S584 VanDerWaalsContact O-N 3.07Å
585	S	96.4	Very high	96.6	Very high	38 Å²	38	53.5 Å²	53.5	27%	0.266	28%	0.284	S	S	.	.	S	Bend	trans	-153.6	162.4	178.3	75.4	0	0	0	0	112.6	I578 H583 N588 L589	I578-S585 WeakPolarHBondContact CD1-O 3.49Å; H583-S585 PolarHBondContact O-N 2.81Å; S585-N588 PolarHBondContact O-N 3.1Å; S585-N588 WeakPolarHBondContact OG-CB 3.29Å; S585-N588 PolarHBondContact OG-N 3Å; S585-N588 VanDerWaalsContact OG-N 3.1Å; S585-N588 PolarHBondContact OG-ND2 2.85Å; S585-L589 PolarHBondContact O-N 3.44Å
586	L	96.9	Very high	96.5	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-34.7	177.7	-163.8	60.5	0	0	0	112	L460 L464 E571 I578 N588 L589 R590	L460-L586 HydrophobicContact CD1-CD1 3.84Å; L460-L586 HydrophobicContact CD2-CD1 3.87Å; L460-L586 HydrophobicContact CD2-CD2 4.22Å; L460-L586 HydrophobicContact CD2-CG 4.11Å; L460-L586 HydrophobicContact CG-CD1 3.97Å; L464-L586 HydrophobicContact CD1-CD1 3.97Å; L464-L586 HydrophobicContact CD2-CD1 4.06Å; L464-L586 HydrophobicContact CG-CD1 4.41Å; E571-L586 HydrophobicContact CG-CB 4.25Å; E571-L586 HydrophobicContact CG-CD2 3.49Å; E571-L586 VanDerWaalsContact CG-CD2 3.49Å; E571-L586 HydrophobicContact CG-CG 4.48Å; I578-L586 HydrophobicContact CD1-CB 4.17Å; I578-L586 HydrophobicContact CD1-CD1 3.79Å; L586-N588 PolarHBondContact O-N 3.41Å; L586-L589 HydrophobicContact CD1-CB 4.45Å; L586-L589 HydrophobicContact CD1-CD2 4.02Å; L586-L589 PolarHBondContact O-N 2.88Å; L586-R590 WeakPolarHBondContact O-CB 3.35Å; L586-R590 WeakPolarHBondContact O-CG 3.39Å; L586-R590 PolarHBondContact O-N 3.27Å
587	T	97.9	Very high	96.5	Very high	94 Å²	94	53.6 Å²	53.6	58%	0.577	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-45.2	172.1	-53.8	0	0	0	0	112.3	R590 A591	T587-R590 WeakPolarHBondContact O-CB 3.35Å; T587-R590 PolarHBondContact O-N 3.32Å; T587-A591 PolarHBondContact O-N 2.97Å
588	N	98	Very high	96.5	Very high	85 Å²	85	59.1 Å²	59.1	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-40.1	176	-72.1	-5.1	0	0	0	111.5	H583 S585 L586 A591 W592	H583-N588 HydrophobicContact CB-CB 4.46Å; H583-N588 WeakPolarHBondContact O-CB 2.98Å; H583-N588 PolarHBondContact O-ND2 2.87Å; S585-N588 PolarHBondContact O-N 3.1Å; S585-N588 WeakPolarHBondContact OG-CB 3.29Å; S585-N588 PolarHBondContact OG-N 3Å; S585-N588 VanDerWaalsContact OG-N 3.1Å; S585-N588 PolarHBondContact OG-ND2 2.85Å; L586-N588 PolarHBondContact O-N 3.41Å; N588-A591 PolarHBondContact O-N 2.63Å; N588-W592 WeakPolarHBondContact O-CB 3.46Å; N588-W592 PolarHBondContact O-N 3.18Å
589	L	97.9	Very high	96.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-38.3	176	178.2	59.5	0	0	0	112.1	L460 K463 L464 I578 H583 S585 L586 W592 M593	L460-L589 HydrophobicContact CD1-CB 4.34Å; L460-L589 HydrophobicContact CD1-CD2 3.68Å; L460-L589 HydrophobicContact CD1-CG 3.58Å; K463-L589 HydrophobicContact CD-CD1 4.4Å; K463-L589 HydrophobicContact CG-CD1 3.64Å; K463-L589 HydrophobicContact CG-CD2 4.19Å; K463-L589 HydrophobicContact CG-CG 4.45Å; L464-L589 HydrophobicContact CD2-CD2 3.61Å; L464-L589 HydrophobicContact CG-CD2 4.09Å; I578-L589 HydrophobicContact CD1-CB 3.99Å; I578-L589 HydrophobicContact CD1-CD2 3.78Å; H583-L589 HydrophobicContact CB-CB 3.93Å; H583-L589 WeakPolarHBondContact ND1-CD1 3.5Å; S585-L589 PolarHBondContact O-N 3.44Å; L586-L589 HydrophobicContact CD1-CB 4.45Å; L586-L589 HydrophobicContact CD1-CD2 4.02Å; L586-L589 PolarHBondContact O-N 2.88Å; L589-W592 HydrophobicContact CD1-CE3 4.32Å; L589-W592 PolarHBondContact O-N 3.28Å; L589-M593 VanDerWaalsContact O-CB 3.29Å; L589-M593 WeakPolarHBondContact O-CB 3.22Å; L589-M593 PolarHBondContact O-N 3.35Å
590	R	98.2	Very high	96	Very high	62 Å²	62	62.7 Å²	62.7	23%	0.234	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-45.7	171.2	-76.2	170	168.9	127.7	3.9	111.3	V456 E457 L460 E571 L586 T587 M593 L594	V456-R590 HydrophobicContact CG1-CB 4.33Å; V456-R590 HydrophobicContact CG1-CG 4.34Å; E457-R590 WeakPolarHBondContact OE1-CD 3.29Å; E457-R590 WeakPolarHBondContact OE1-CG 3.32Å; E457-R590 IonicContact OE1-CZ 3.41Å; E457-R590 IonicContact OE1-NE 3.36Å; E457-R590 PolarHBondContact OE1-NE 3.06Å; E457-R590 IonicContact OE1-NH2 2.77Å; E457-R590 IonicContact OE2-CZ 3.46Å; E457-R590 IonicContact OE2-NE 3.04Å; E457-R590 PolarHBondContact OE2-NE 2.8Å; E457-R590 IonicContact OE2-NH2 3.61Å; E457-R590 PolarHBondContact OE2-NH2 2.66Å; L460-R590 HydrophobicContact CD1-CG 4.14Å; L460-R590 HydrophobicContact CD2-CG 3.7Å; E571-R590 IonicContact OE2-CZ 2.73Å; E571-R590 IonicContact OE2-NH1 2.74Å; E571-R590 PolarHBondContact OE2-NH1 3.07Å; E571-R590 IonicContact OE2-NH2 3.17Å; L586-R590 WeakPolarHBondContact O-CB 3.35Å; L586-R590 WeakPolarHBondContact O-CG 3.39Å; L586-R590 PolarHBondContact O-N 3.27Å; T587-R590 WeakPolarHBondContact O-CB 3.35Å; T587-R590 PolarHBondContact O-N 3.32Å; R590-M593 PolarHBondContact O-N 3.24Å; R590-L594 PolarHBondContact O-N 3.32Å
591	A	98.1	Very high	95.4	Very high	62 Å²	62	61.8 Å²	61.8	51%	0.512	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.4	0	0	0	0	0	112.7	T587 N588 M593 L594 K595	T587-A591 PolarHBondContact O-N 2.97Å; N588-A591 PolarHBondContact O-N 2.63Å; A591-M593 VanDerWaalsContact C-N 3.34Å; A591-L594 PolarHBondContact O-N 3.44Å; A591-K595 PolarHBondContact O-N 2.78Å
592	W	98.1	Very high	93.9	Very high	92 Å²	92	62.9 Å²	62.9	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-42.8	172.3	-177	99.3	0	0	0	111.6	F474 H583 N588 L589 K595 H596	F474-W592 HydrophobicContact CE1-CZ3 4.38Å; H583-W592 AromaticContact CE1-CD1 2.86Å; H583-W592 AromaticContact CE1-CD2 2.79Å; H583-W592 AromaticContact CE1-CE2 3Å; H583-W592 AromaticContact CE1-CE3 3.51Å; H583-W592 AromaticContact CE1-CG 2.75Å; H583-W592 AromaticContact CE1-CZ2 3.87Å; H583-W592 AromaticContact CE1-NE1 2.99Å; H583-W592 PolarHBondContact CE1-NE1 3.34Å; H583-W592 AromaticContact ND1-CG 3.84Å; N588-W592 WeakPolarHBondContact O-CB 3.46Å; N588-W592 PolarHBondContact O-N 3.18Å; L589-W592 HydrophobicContact CD1-CE3 4.32Å; L589-W592 PolarHBondContact O-N 3.28Å; W592-K595 PolarHBondContact O-N 3.4Å; W592-H596 HydrophobicContact CE3-CB 4.38Å; W592-H596 HydrophobicContact CH2-CB 4.49Å; W592-H596 HydrophobicContact CZ3-CB 4.12Å; W592-H596 PolarHBondContact O-N 3.05Å
593	M	98	Very high	92.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-38.4	178.8	-167.8	61.4	69.9	0	0	111.9	V456 M459 K463 F474 L589 R590 A591 K595 H596 V597	V456-M593 HydrophobicContact CB-CG 4.28Å; V456-M593 HydrophobicContact CG1-CB 3.97Å; V456-M593 HydrophobicContact CG1-CG 4.03Å; V456-M593 HydrophobicContact CG2-CB 4.29Å; V456-M593 HydrophobicContact CG2-CG 4.1Å; M459-M593 HydrophobicContact CB-CE 4.24Å; M459-M593 HydrophobicContact CB-CG 4.12Å; M459-M593 HydrophobicContact CB-SD 3.7Å; M459-M593 HydrophobicContact CE-SD 4.06Å; K463-M593 HydrophobicContact CB-CE 3.53Å; K463-M593 HydrophobicContact CG-CE 3.77Å; F474-M593 HydrophobicContact CE1-CE 4.25Å; F474-M593 HydrophobicContact CE2-CE 4.16Å; F474-M593 HydrophobicContact CZ-CE 3.59Å; F474-M593 HydrophobicContact CZ-SD 3.94Å; L589-M593 VanDerWaalsContact O-CB 3.29Å; L589-M593 WeakPolarHBondContact O-CB 3.22Å; L589-M593 PolarHBondContact O-N 3.35Å; R590-M593 PolarHBondContact O-N 3.24Å; A591-M593 VanDerWaalsContact C-N 3.34Å; M593-K595 VanDerWaalsContact C-N 3.33Å; M593-K595 PolarHBondContact O-N 3.44Å; M593-H596 CarbonylContact O-C 3.6Å; M593-H596 WeakPolarHBondContact O-CA 3.1Å; M593-H596 WeakPolarHBondContact O-CB 3.28Å; M593-H596 PolarHBondContact O-N 3.19Å; M593-H596 VanDerWaalsContact O-N 3.1Å; M593-H596 HydrophobicContact SD-CB 4.36Å; M593-V597 HydrophobicContact CG-CG2 4.49Å; M593-V597 WeakPolarHBondContact O-CG2 3.3Å; M593-V597 PolarHBondContact O-N 2.84Å
594	L	97.9	Very high	89.9	Confident	50 Å²	50	65.7 Å²	65.7	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-42.9	174.8	-177.3	60.3	0	0	0	111.4	E452 V456 R590 A591 H596 V597 R598	E452-L594 HydrophobicContact CB-CD1 3.85Å; V456-L594 HydrophobicContact CG2-CB 3.97Å; V456-L594 HydrophobicContact CG2-CD1 4.1Å; R590-L594 PolarHBondContact O-N 3.32Å; A591-L594 PolarHBondContact O-N 3.44Å; L594-H596 VanDerWaalsContact C-N 3.34Å; L594-V597 PolarHBondContact O-N 3.13Å; L594-R598 WeakPolarHBondContact O-CB 3.33Å; L594-R598 WeakPolarHBondContact O-CG 3.44Å; L594-R598 PolarHBondContact O-N 3.47Å
595	K	97	Very high	87.5	Confident	142 Å²	142	65.6 Å²	65.6	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-40	172.4	-173.7	173.6	-179.7	175.4	0	111.8	A591 W592 M593 N599	A591-K595 PolarHBondContact O-N 2.78Å; W592-K595 PolarHBondContact O-N 3.4Å; M593-K595 VanDerWaalsContact C-N 3.33Å; M593-K595 PolarHBondContact O-N 3.44Å; K595-N599 WeakPolarHBondContact O-CB 3.37Å; K595-N599 PolarHBondContact O-N 3.41Å; K595-N599 PolarHBondContact O-ND2 2.7Å; K595-N599 PolarHBondContact O-OD1 2.99Å
596	H	95.4	Very high	84.8	Confident	51 Å²	51	68.8 Å²	68.8	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-46	175.8	-178.5	86.3	0	0	0	112.6	W592 M593 L594 N599 S600	W592-H596 HydrophobicContact CE3-CB 4.38Å; W592-H596 HydrophobicContact CH2-CB 4.49Å; W592-H596 HydrophobicContact CZ3-CB 4.12Å; W592-H596 PolarHBondContact O-N 3.05Å; M593-H596 CarbonylContact O-C 3.6Å; M593-H596 WeakPolarHBondContact O-CA 3.1Å; M593-H596 WeakPolarHBondContact O-CB 3.28Å; M593-H596 PolarHBondContact O-N 3.19Å; M593-H596 VanDerWaalsContact O-N 3.1Å; M593-H596 HydrophobicContact SD-CB 4.36Å; L594-H596 VanDerWaalsContact C-N 3.34Å; H596-N599 PolarHBondContact O-N 3.44Å; H596-S600 PolarHBondContact O-N 3.04Å
597	V	95.9	Very high	82.2	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.006	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-51.4	176.1	170.2	0	0	0	0	110.5	Q455 V456 M459 M593 L594 N599 S600 R601	Q455-V597 HydrophobicContact CB-CG1 4.29Å; Q455-V597 HydrophobicContact CG-CG1 3.89Å; Q455-V597 HydrophobicContact CG-CG2 4Å; V456-V597 HydrophobicContact CG2-CG2 4.04Å; M459-V597 HydrophobicContact SD-CG2 3.85Å; M593-V597 HydrophobicContact CG-CG2 4.49Å; M593-V597 WeakPolarHBondContact O-CG2 3.3Å; M593-V597 PolarHBondContact O-N 2.84Å; L594-V597 PolarHBondContact O-N 3.13Å; V597-N599 PolarHBondContact O-N 3.37Å; V597-S600 PolarHBondContact O-N 3.08Å; V597-S600 VanDerWaalsContact O-N 3.13Å; V597-S600 PolarHBondContact O-OG 3.43Å; V597-R601 PolarHBondContact O-N 3.4Å; V597-R601 VanDerWaalsContact O-N 3.08Å
598	R	95.3	Very high	79.3	Confident	131 Å²	131	78 Å²	78	49%	0.494	42%	0.417	S	S	.	.	H	α-helix	trans	-55.1	-47.1	176.9	-76.7	172.4	177.8	177.4	2.2	112.7	E452 L594 S600 R601 G602	E452-R598 WeakPolarHBondContact OE1-CG 3.44Å; E452-R598 IonicContact OE1-NE 3.53Å; E452-R598 IonicContact OE2-CZ 3.37Å; E452-R598 IonicContact OE2-NE 2.78Å; E452-R598 PolarHBondContact OE2-NE 3.28Å; E452-R598 IonicContact OE2-NH2 3.49Å; E452-R598 PolarHBondContact OE2-NH2 3.22Å; L594-R598 WeakPolarHBondContact O-CB 3.33Å; L594-R598 WeakPolarHBondContact O-CG 3.44Å; L594-R598 PolarHBondContact O-N 3.47Å; R598-S600 PolarHBondContact O-N 3Å; R598-R601 PolarHBondContact O-N 3.4Å; R598-G602 PolarHBondContact O-N 2.82Å
599	N	92.8	Very high	76.4	Confident	102 Å²	102	79.1 Å²	79.1	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-41.1	177.3	-72.1	-6.8	0	0	0	112.5	K595 H596 V597 R601 G602 L603	K595-N599 WeakPolarHBondContact O-CB 3.37Å; K595-N599 PolarHBondContact O-N 3.41Å; K595-N599 PolarHBondContact O-ND2 2.7Å; K595-N599 PolarHBondContact O-OD1 2.99Å; H596-N599 PolarHBondContact O-N 3.44Å; V597-N599 PolarHBondContact O-N 3.37Å; N599-R601 VanDerWaalsContact C-N 3.35Å; N599-R601 PolarHBondContact O-N 3.22Å; N599-G602 PolarHBondContact O-N 2.73Å; N599-L603 PolarHBondContact O-N 3.44Å
600	S	86	Confident	73.7	Confident	60 Å²	60	82.7 Å²	82.7	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-64.7	-35.4	177.7	75.6	0	0	0	0	113.3	H596 V597 R598 S604	H596-S600 PolarHBondContact O-N 3.04Å; V597-S600 PolarHBondContact O-N 3.08Å; V597-S600 VanDerWaalsContact O-N 3.13Å; V597-S600 PolarHBondContact O-OG 3.43Å; R598-S600 PolarHBondContact O-N 3Å; S600-S604 PolarHBondContact O-OG 3.49Å
601	R	81.5	Confident	70.6	Confident	83 Å²	83	84.6 Å²	84.6	31%	0.313	48%	0.482	S	S	.	.	H	α-helix	trans	-73.6	-44.7	176.5	-69.9	178.7	175.6	-165.6	0.4	111.8	F449 S450 D451 E452 V597 R598 N599 L603 S604 S605	F449-R601 PolarHBondContact O-NH2 3.11Å; S450-R601 VanDerWaalsContact O-CZ 3.27Å; S450-R601 PolarHBondContact O-NH1 3.1Å; S450-R601 PolarHBondContact O-NH2 3.31Å; D451-R601 PolarHBondContact O-NH2 3.34Å; E452-R601 VanDerWaalsContact CG-NH1 3.29Å; E452-R601 IonicContact OE1-NH1 3.97Å; V597-R601 PolarHBondContact O-N 3.4Å; V597-R601 VanDerWaalsContact O-N 3.08Å; R598-R601 PolarHBondContact O-N 3.4Å; N599-R601 VanDerWaalsContact C-N 3.35Å; N599-R601 PolarHBondContact O-N 3.22Å; R601-L603 PolarHBondContact O-N 3.34Å; R601-S604 WeakPolarHBondContact O-CB 3.18Å; R601-S604 PolarHBondContact O-N 2.95Å; R601-S605 PolarHBondContact O-N 2.75Å
602	G	62.9	Low	67.7	Low	35 Å²	35	87.5 Å²	87.5	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-28.2	177.9	0	0	0	0	0	114.4	R598 N599 S604 S605 T606	R598-G602 PolarHBondContact O-N 2.82Å; N599-G602 PolarHBondContact O-N 2.73Å; G602-S604 VanDerWaalsContact C-N 3.25Å; G602-S604 PolarHBondContact O-N 3.43Å; G602-S605 PolarHBondContact O-OG 3.29Å; G602-T606 PolarHBondContact O-OG1 2.74Å
603	L	57.5	Low	64.6	Low	133 Å²	133	92.1 Å²	92.1	70%	0.696	52%	0.52	S	S	*	.	H	α-helix	trans	-75.3	-12.2	173.5	-138.1	73.7	0	0	0	113.7	N599 R601	N599-L603 PolarHBondContact O-N 3.44Å; R601-L603 PolarHBondContact O-N 3.34Å
604	S	51	Low	61.6	Low	80 Å²	80	102.1 Å²	102.1	56%	0.559	56%	0.564	S	S	*	*	H	α-helix	trans	-95.9	-34.3	177.4	-59.5	0	0	0	0	112.5	S600 R601 G602	S600-S604 PolarHBondContact O-OG 3.49Å; R601-S604 WeakPolarHBondContact O-CB 3.18Å; R601-S604 PolarHBondContact O-N 2.95Å; G602-S604 VanDerWaalsContact C-N 3.25Å; G602-S604 PolarHBondContact O-N 3.43Å
605	S	44.3	Very low	58.5	Low	71 Å²	71	111.9 Å²	111.9	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-70.9	-35.4	177.3	55.6	0	0	0	0	112.8	R601 G602 L607 N608	R601-S605 PolarHBondContact O-N 2.75Å; G602-S605 PolarHBondContact O-OG 3.29Å; S605-L607 PolarHBondContact O-N 2.97Å; S605-N608 PolarHBondContact O-N 3.27Å
606	T	41	Very low	55.3	Low	104 Å²	104	108.5 Å²	108.5	64%	0.638	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-12.2	-178.8	40.4	0	0	0	0	114.8	G602	G602-T606 PolarHBondContact O-OG1 2.74Å
607	L	41.5	Very low	52.8	Low	149 Å²	149	111.9 Å²	111.9	78%	0.78	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-10.2	175.7	-74.1	165.5	0	0	0	114.4	S605	S605-L607 PolarHBondContact O-N 2.97Å
608	N	37.5	Very low	49.8	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	67%	0.674	S	S	*	*	S	Bend	trans	-106	-3.4	-174.9	-88.4	1.9	0	0	0	114.9	S605 G610	S605-N608 PolarHBondContact O-N 3.27Å; N608-G610 PolarHBondContact O-N 2.87Å
609	V	36.6	Very low	47	Very low	108 Å²	108	124.1 Å²	124.1	66%	0.655	69%	0.691	S	S	*	*			trans	-94.3	91.4	177.4	-168.9	0	0	0	0	110.6	V611	V609-V611 HydrophobicContact CB-CG2 4.5Å; V609-V611 HydrophobicContact CG1-CG2 3.72Å; V609-V611 PolarHBondContact O-N 3.21Å
610	G	40.6	Very low	44.6	Very low	75 Å²	75	124.7 Å²	124.7	77%	0.773	70%	0.7	S	S	*	*			trans	-70.4	85	171	0	0	0	0	0	112.1	N608 S612	N608-G610 PolarHBondContact O-N 2.87Å; G610-S612 PolarHBondContact O-N 3.19Å
611	V	32.9	Very low	42.3	Very low	102 Å²	102	128 Å²	128	62%	0.618	72%	0.72	S	S	*	*			trans	-73.2	87.9	-177.2	-175.4	0	0	0	0	111.9	V609 K613	V609-V611 HydrophobicContact CB-CG2 4.5Å; V609-V611 HydrophobicContact CG1-CG2 3.72Å; V609-V611 PolarHBondContact O-N 3.21Å; V611-K613 HydrophobicContact CG1-CB 4.31Å; V611-K613 HydrophobicContact CG1-CD 3.97Å; V611-K613 HydrophobicContact CG1-CG 3.8Å; V611-K613 PolarHBondContact O-N 3.22Å
612	S	38.3	Very low	40	Very low	123 Å²	123	133.2 Å²	133.2	86%	0.86	75%	0.745	S	S	*	*			trans	-66.7	107.3	157.2	-75.3	0	0	0	0	109.8	G610	G610-S612 PolarHBondContact O-N 3.19Å
613	K	33.8	Very low	38.4	Very low	188 Å²	188	136.5 Å²	136.5	82%	0.817	76%	0.762	S	S	*	*			trans	-118.7	100.4	169.4	-96.2	-177.4	175.4	-179	0	111.5	V611	V611-K613 HydrophobicContact CG1-CB 4.31Å; V611-K613 HydrophobicContact CG1-CD 3.97Å; V611-K613 HydrophobicContact CG1-CG 3.8Å; V611-K613 PolarHBondContact O-N 3.22Å
614	K	33.6	Very low	37.2	Very low	210 Å²	210	137.5 Å²	137.5	91%	0.913	76%	0.763	S	S	*	*			trans	-66	144.3	158.6	-75.6	-174.7	175.6	-179.9	0	109
615	R	32.7	Very low	36.3	Very low	255 Å²	255	140.9 Å²	140.9	96%	0.962	78%	0.775	S	S	*	*			trans	-74.3	145.2	169	-76.3	179.9	168.6	-177	-4.4	110.6
616	G	31.1	Very low	35.5	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	79%	0.79	S	S	*	*			trans	-143.6	128.2	160	0	0	0	0	0	108.3
617	P	41.5	Very low	35.2	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	80%	0.802	S	S	*	*			trans	-94.9	144.4	-175.6	35.2	-32.9	0	0	0	112.7
618	R	33.9	Very low	35	Very low	251 Å²	251	142.9 Å²	142.9	95%	0.947	80%	0.801	S	S	*	*			trans	-164.9	160.3	151.8	-107.2	155.9	-166.8	-168.1	1.8	110.9
619	T	36.4	Very low	34.6	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	80%	0.8	S	S	*	*			trans	-100.1	166.8	-164.4	31.8	0	0	0	0	113.9
620	P	41.3	Very low	34.3	Very low	115 Å²	115	142 Å²	142	75%	0.747	81%	0.806	S	S	*	*			trans	-107.3	165.4	-168.5	40.7	-35.5	0	0	0	115.2
621	P	38.5	Very low	33.7	Very low	129 Å²	129	144.3 Å²	144.3	84%	0.838	81%	0.809	S	S	*	*			trans	-105.9	-176	150.4	31.8	-19.1	0	0	0	112.6
622	K	32.5	Very low	33.6	Very low	193 Å²	193	144.6 Å²	144.6	84%	0.839	82%	0.816	S	S	*	*			trans	-120.5	154.4	-156.8	-58.4	173.5	179	176	0	115.3
623	S	30.9	Very low	33.2	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	81%	0.814	S	S	*	*			trans	61.9	162.1	153.1	67.6	0	0	0	0	118.5
624	H	31.3	Very low	33.1	Very low	155 Å²	155	146 Å²	146	72%	0.718	82%	0.817	S	S	*	*			cis	-142.5	158.2	9.6	-122.3	-67.4	0	0	0	112.5
625	N	32.4	Very low	33.1	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	81%	0.811	S	S	*	*			trans	47.4	125.6	155.5	-64	0.4	0	0	0	121.9
626	G	28.3	Very low	33.1	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	81%	0.808	S	S	*	*			trans	156.4	101.3	161	0	0	0	0	0	114.1
627	L	34.3	Very low	33	Very low	169 Å²	169	140.7 Å²	140.7	89%	0.885	81%	0.814	S	S	*	*			trans	-90.7	148.4	169.3	-72.1	171.3	0	0	0	109.4
628	P	37.2	Very low	32.5	Very low	118 Å²	118	145.3 Å²	145.3	77%	0.766	82%	0.816	S	S	*	*				-140.3	145.3	84.4	34.2	-17.7	0	0	0	116.8
629	V	28.9	Very low	32.3	Very low	124 Å²	124	137.9 Å²	137.9	75%	0.752	81%	0.808	S	S	*	*			trans	23.6	117.7	142.1	-170.1	0	0	0	0	118.6
630	S	29.2	Very low	32.1	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	81%	0.807	S	S	*	*			trans	-119.5	123.2	159.9	178.2	0	0	0	0	109.8
631	C	29.4	Very low	31.5	Very low	122 Å²	122	141.9 Å²	141.9	82%	0.824	81%	0.811	S	S	*	*			trans	-130.6	93	171.5	-67.4	0	0	0	0	109.6
632	S	31.2	Very low	30.9	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	82%	0.815	S	S	*	*			trans	-81	139.8	164.6	57.1	0	0	0	0	110.5
633	E	29.9	Very low	30.7	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	82%	0.815	S	S	*	*			trans	-148.6	139.7	147.4	-130.5	172.8	-148.6	0	0	112.9
634	N	31.6	Very low	30.6	Very low	164 Å²	164	144.2 Å²	144.2	88%	0.877	82%	0.824	S	S	*	*			trans	-135.7	110.6	178.4	-101.7	-43.4	0	0	0	107.3
635	T	32	Very low	30.4	Very low	128 Å²	128	140 Å²	140	79%	0.785	82%	0.822	S	S	*	*			trans	-118.8	94.8	178.1	37	0	0	0	0	111.1
636	L	32.9	Very low	30.3	Very low	171 Å²	171	139.6 Å²	139.6	90%	0.895	83%	0.825	S	S	*	*			trans	-82.8	119.3	169.1	-78.8	169.4	0	0	0	110.2	R638	L636-R638 PolarHBondContact O-N 3.41Å
637	S	28.6	Very low	30.3	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	83%	0.826	S	S	*	*			trans	-67.3	116.3	177.6	52.5	0	0	0	0	111.9
638	R	32.1	Very low	30	Very low	219 Å²	219	138.3 Å²	138.3	83%	0.826	82%	0.824	S	S	*	*			trans	-99.6	115.2	179.3	179	174.5	178.4	173.4	1	111.5	L636	L636-R638 PolarHBondContact O-N 3.41Å
639	A	30	Very low	29.6	Very low	96 Å²	96	136.8 Å²	136.8	79%	0.793	83%	0.83	S	S	*	*			trans	-62.5	147.6	168.7	0	0	0	0	0	111.9
640	R	31.5	Very low	29.5	Very low	215 Å²	215	134.2 Å²	134.2	81%	0.811	83%	0.829	S	S	*	*			trans	-127.2	132.8	168.2	-74.4	-172	176	-170.4	0.2	110.1
641	S	28	Very low	29.4	Very low	121 Å²	121	134.8 Å²	134.8	85%	0.846	83%	0.833	S	S	*	*			trans	-75.8	153.9	163.3	-49.3	0	0	0	0	109.9
642	F	27.5	Very low	29.3	Very low	206 Å²	206	134.3 Å²	134.3	90%	0.904	83%	0.831	S	S	*	*			trans	-104.4	139.8	167	-73.9	-83.6	0	0	0	110.9
643	S	27.2	Very low	29.1	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	83%	0.83	S	S	*	*			trans	-146.2	147.6	163	53.4	0	0	0	0	108.4
644	T	29.5	Very low	29.2	Very low	146 Å²	146	131 Å²	131	90%	0.896	83%	0.827	S	S	*	*			trans	-88.8	155.7	-160.9	44.4	0	0	0	0	115.5
645	G	27.8	Very low	29.1	Very low	67 Å²	67	131 Å²	131	69%	0.691	82%	0.822	S	S	*	*			trans	149.4	92.3	167.3	0	0	0	0	0	111.4
646	T	28.9	Very low	29	Very low	141 Å²	141	131.8 Å²	131.8	87%	0.865	82%	0.817	S	S	*	*				89.3	78.2	50.2	70.1	0	0	0	0	116
647	S	28.3	Very low	28.7	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	81%	0.806	S	S	*	*			trans	-155.7	130.7	143.7	47.7	0	0	0	0	107.5
648	A	28.3	Very low	28.7	Very low	103 Å²	103	129.2 Å²	129.2	85%	0.851	80%	0.803	S	S	*	*			cis	101.8	101.5	13.6	0	0	0	0	0	114.8
649	G	28.4	Very low	29.2	Very low	87 Å²	87	124.2 Å²	124.2	90%	0.897	80%	0.799	S	S	*	*			trans	97.5	128.3	170.9	0	0	0	0	0	115
650	G	26.9	Very low	29.2	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	80%	0.799	S	S	*	*			cis	161.2	148.7	-12.1	0	0	0	0	0	113.9
651	S	28.5	Very low	29.2	Very low	126 Å²	126	124.8 Å²	124.8	88%	0.881	80%	0.796	S	S	*	*			trans	66.9	153	170.6	-57.2	0	0	0	0	116.1
652	S	26.9	Very low	29.2	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	80%	0.795	S	S	*	*			cis	-173.5	154.3	-6.3	37.7	0	0	0	0	107.9
653	S	27.3	Very low	29.3	Very low	106 Å²	106	125.4 Å²	125.4	74%	0.741	79%	0.791	S	S	*	*			cis	-169	-154.8	-5	59.5	0	0	0	0	109.5
654	S	30.5	Very low	29.5	Very low	112 Å²	112	125 Å²	125	78%	0.783	79%	0.788	S	S	*	*			trans	77.8	146.1	170.4	81.5	0	0	0	0	117.6
655	Q	30.2	Very low	30.2	Very low	163 Å²	163	123.4 Å²	123.4	76%	0.762	78%	0.78	S	S	*	*			cis	-162.9	161.8	-34	-143.8	-173	53.9	0	0	110.2
656	Q	30.7	Very low	30.6	Very low	144 Å²	144	125.5 Å²	125.5	67%	0.673	78%	0.784	S	S	*	*			trans	85.4	114.4	156.6	-65	-176.3	31.2	0	0	123.5
657	N	26.7	Very low	30.7	Very low	127 Å²	127	128.5 Å²	128.5	68%	0.679	79%	0.785	S	S	*	*				81.1	93.3	124.5	-57.9	-11.3	0	0	0	124.3
658	S	27.3	Very low	31.4	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	78%	0.777	S	S	*	*				66.6	162.7	117.8	-58	0	0	0	0	122
659	P	43.4	Very low	31.4	Very low	113 Å²	113	132.9 Å²	132.9	73%	0.734	78%	0.781	S	S	*	*			cis	-130.4	163.7	0.6	41.2	-25	0	0	0	118.2
660	Q	30.7	Very low	31.4	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	78%	0.78	S	S	*	*			trans	6.8	157.5	139.3	-63.8	176.8	-12.4	0	0	121.6
661	M	30.1	Very low	31.4	Very low	151 Å²	151	137.5 Å²	137.5	74%	0.744	78%	0.777	S	S	*	*			cis	-166.7	171.3	-4	-102.2	165	75.9	0	0	107.3
662	K	28.7	Very low	31.5	Very low	187 Å²	187	137.7 Å²	137.7	81%	0.813	78%	0.778	S	S	*	*				-164.3	175	54.5	-74.7	-178	177	-179.7	0	111.4
663	N	28.7	Very low	31.8	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	78%	0.783	S	S	*	*			trans	-116.1	152.9	-170.3	-71.5	-18.6	0	0	0	116.1
664	S	31.9	Very low	32.8	Very low	114 Å²	114	144.4 Å²	144.4	80%	0.797	79%	0.786	S	S	*	*			trans	65.6	172	143.2	-65.5	0	0	0	0	119.2
665	P	43.9	Very low	33	Very low	112 Å²	112	143.9 Å²	143.9	73%	0.727	79%	0.788	S	S	*	*			cis	-127.3	-170.2	0.7	42.7	-27	0	0	0	115.5
666	S	36.3	Very low	32.8	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	79%	0.788	S	S	*	*			trans	-144	137.8	172.5	-51.1	0	0	0	0	110.8
667	F	30.9	Very low	33	Very low	204 Å²	204	140.8 Å²	140.8	90%	0.895	80%	0.798	S	S	*	*			trans	-158	173.1	179.1	-96.9	-46.8	0	0	0	112.2
668	P	44	Very low	33.8	Very low	99 Å²	99	140.6 Å²	140.6	64%	0.643	80%	0.804	S	S	*	*			trans	-125.7	-174.3	-134.3	44.7	-30.4	0	0	0	115.9
669	F	27.6	Very low	33.9	Very low	215 Å²	215	138.6 Å²	138.6	94%	0.943	80%	0.801	S	S	*	*			trans	-142.7	170.9	163.7	-99	-76.7	0	0	0	113.3
670	H	29.1	Very low	33.2	Very low	191 Å²	191	141.9 Å²	141.9	88%	0.884	81%	0.812	S	S	*	*			trans	-150.6	154.6	-149.3	-147.2	-69.1	0	0	0	113.9
671	G	26.6	Very low	33	Very low	61 Å²	61	137 Å²	137	63%	0.629	81%	0.807	S	S	*	*			trans	105.3	149.2	167.1	0	0	0	0	0	115.8
672	S	29.7	Very low	33.1	Very low	130 Å²	130	136 Å²	136	91%	0.909	82%	0.815	S	S	*	*			cis	-150.4	172.8	7.6	-69.2	0	0	0	0	112.9
673	R	32.8	Very low	33.1	Very low	235 Å²	235	132.2 Å²	132.2	89%	0.887	81%	0.813	S	S	*	*			trans	-127.4	169	179.2	-85.6	-174	172.1	-171.2	-2.3	112.1
674	P	49	Very low	33.1	Very low	124 Å²	124	131 Å²	131	81%	0.805	81%	0.811	S	S	*	*				-130.8	135.5	112.5	36.8	-28.4	0	0	0	112.7
675	A	34	Very low	32.9	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	81%	0.814	S	S	*	*				77.3	133.4	98.5	0	0	0	0	0	114.6
676	G	26.4	Very low	32.2	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	82%	0.819	S	S	*	*			cis	-144.1	-150.3	9.8	0	0	0	0	0	116.3
677	L	34.5	Very low	31.7	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	82%	0.818	S	S	*	*			trans	-101.4	-178.2	-160.5	-91.7	76.4	0	0	0	114.4
678	P	45.4	Very low	31.5	Very low	124 Å²	124	135.3 Å²	135.3	81%	0.805	81%	0.814	S	S	*	*			cis	-137.4	179.3	-35.8	37	-19.3	0	0	0	114.7
679	G	27.5	Very low	30.7	Very low	72 Å²	72	139 Å²	139	74%	0.742	82%	0.822	S	S	*	*			trans	177.7	138.2	164.1	0	0	0	0	0	115.6
680	L	29.9	Very low	30.9	Very low	183 Å²	183	140.8 Å²	140.8	96%	0.958	82%	0.822	S	S	*	*			trans	-61.9	159.8	-177.2	-74	56.9	0	0	0	113.9
681	G	26.8	Very low	30.8	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	82%	0.817	S	S	*	*			cis	150.4	126.9	-8.4	0	0	0	0	0	114.8
682	S	30.9	Very low	31	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	83%	0.831	S	S	*	*			trans	66.9	158.6	171.3	-125.3	0	0	0	0	117.6
683	S	28.3	Very low	30.9	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	82%	0.823	S	S	*	*			cis	-144.1	176.1	0.7	75.9	0	0	0	0	112.5
684	T	30.1	Very low	31.5	Very low	128 Å²	128	135.4 Å²	135.4	79%	0.785	82%	0.82	S	S	*	*			trans	-130.1	144.2	-173.4	58.6	0	0	0	0	114.4
685	Q	28.3	Very low	30.5	Very low	186 Å²	186	135.3 Å²	135.3	87%	0.869	82%	0.817	S	S	*	*			trans	-165.1	141	150.6	-104.1	157.9	39.6	0	0	108.2
686	K	27.9	Very low	30.3	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	82%	0.82	S	S	*	*			cis	67.9	131.7	45.3	-75.3	-171.1	177.8	-178.7	0	112.7
687	V	25.7	Very low	30.4	Very low	123 Å²	123	146.5 Å²	146.5	75%	0.745	82%	0.822	S	S	*	*			cis	-165	-175.4	-4.8	95.5	0	0	0	0	111.2
688	T	26.3	Very low	30.5	Very low	131 Å²	131	143.9 Å²	143.9	80%	0.804	82%	0.815	S	S	*	*			trans	85.5	146.3	161.6	18.1	0	0	0	0	122.1
689	H	29	Very low	29.5	Very low	177 Å²	177	149 Å²	149	82%	0.819	82%	0.819	S	S	*	*			trans	-95.9	163.7	175.2	-70.1	-114	0	0	0	112.5
690	R	30.3	Very low	29.4	Very low	252 Å²	252	151.1 Å²	151.1	95%	0.951	82%	0.822	S	S	*	*			trans	-144.4	155.5	142.9	-110.8	178.1	-177.3	179.7	0.9	111.3
691	V	28.4	Very low	29.4	Very low	128 Å²	128	151.8 Å²	151.8	78%	0.776	82%	0.82	S	S	*	*			trans	-127.2	137.3	-179.3	173.9	0	0	0	0	108.7
692	L	29.5	Very low	29.5	Very low	177 Å²	177	156.2 Å²	156.2	93%	0.927	83%	0.828	S	S	*	*			trans	-140.7	157.3	164.3	-75.6	-180	0	0	0	110.4
693	G	28.7	Very low	29.4	Very low	71 Å²	71	160.9 Å²	160.9	73%	0.732	83%	0.826	S	S	*	*			trans	-100.1	-173	-163.3	0	0	0	0	0	117.4
694	P	45.5	Very low	29.4	Very low	127 Å²	127	167.3 Å²	167.3	83%	0.825	83%	0.833	S	S	*	*			trans	-114.2	160.1	-155.2	40.8	-33.4	0	0	0	115.7
695	V	26.9	Very low	29.3	Very low	123 Å²	123	169 Å²	169	75%	0.745	83%	0.832	S	S	*	*			trans	-146.8	133.3	173.9	179.5	0	0	0	0	112.9
696	R	29.2	Very low	29.4	Very low	237 Å²	237	171.3 Å²	171.3	89%	0.894	83%	0.833	S	S	*	*			trans	71	119.3	158.2	-79.7	168.3	-169.5	167.4	2.8	122.5
697	E	28.8	Very low	29.3	Very low	171 Å²	171	171.7 Å²	171.7	80%	0.799	84%	0.837	S	S	*	*			trans	-74.4	175.2	134.9	-53.3	-175.8	144.7	0	0	110.8
698	P	36.1	Very low	29.4	Very low	114 Å²	114	174.4 Å²	174.4	74%	0.74	84%	0.842	S	S	*	*				-149.2	140.4	92.9	36.9	-19.4	0	0	0	117.9
699	R	25.8	Very low	30.4	Very low	231 Å²	231	172.5 Å²	172.5	87%	0.872	83%	0.832	S	S	*	*			trans	61.2	132.3	136.2	-64.4	-178.6	175.5	-179.8	-1.7	122.3
700	S	25.7	Very low	30.3	Very low	116 Å²	116	171.5 Å²	171.5	81%	0.811	83%	0.832	S	S	*	*			trans	-75.2	160.5	160.3	53.7	0	0	0	0	114.1
701	Q	30.1	Very low	30.2	Very low	198 Å²	198	164.8 Å²	164.8	93%	0.925	82%	0.819	S	S	*	*			trans	-138.2	-176.6	159.8	-124.6	-178	8.5	0	0	112.7
702	D	27.3	Very low	30.3	Very low	162 Å²	162	167.8 Å²	167.8	87%	0.866	82%	0.824	S	S	*	*			trans	-106.2	175.5	-133.8	-133.2	-46.9	0	0	0	117.4
703	R	30.5	Very low	30.3	Very low	227 Å²	227	170.1 Å²	170.1	86%	0.857	82%	0.821	S	S	*	*			trans	-127.8	106.3	-168	-179.2	-166.1	-174.4	-160.4	4.8	113.3
704	R	27.4	Very low	31.1	Very low	244 Å²	244	172.5 Å²	172.5	92%	0.921	82%	0.823	S	S	*	*			trans	-167.1	170.6	164.3	-104.1	161.7	-160.9	-144.5	5.8	111.3
705	Q	28	Very low	30.4	Very low	164 Å²	164	170.8 Å²	170.8	77%	0.766	82%	0.82	S	S	*	*				-170.5	114.6	-74.4	172.2	178.4	11.5	0	0	109.6
706	R	31	Very low	30.5	Very low	233 Å²	233	168.8 Å²	168.8	88%	0.879	82%	0.824	S	S	*	*			trans	54.6	131.3	164.6	-71.5	-174.6	165.8	-151.5	-4.7	120.3
707	Q	25.1	Very low	30.5	Very low	199 Å²	199	162.6 Å²	162.6	93%	0.93	82%	0.817	S	S	*	*			trans	-156.2	161	135.4	-113.9	173.8	32.3	0	0	112.9
708	Q	28.5	Very low	30.6	Very low	180 Å²	180	162.7 Å²	162.7	84%	0.841	82%	0.822	S	S	*	*			trans	-173.4	169	-179.7	-121.7	-167.7	9.7	0	0	106.1
709	P	45.7	Very low	30.5	Very low	92 Å²	92	161.6 Å²	161.6	60%	0.597	82%	0.822	S	S	*	*			cis	-138.9	-162.9	-2.9	31.6	-6.3	0	0	0	114.1
710	L	28.1	Very low	31.5	Very low	155 Å²	155	156.5 Å²	156.5	81%	0.812	82%	0.819	S	S	*	*			trans	72.7	150.6	162.8	-52.4	169.6	0	0	0	116.2
711	T	28.7	Very low	32	Very low	112 Å²	112	156.2 Å²	156.2	69%	0.687	82%	0.817	S	S	*	*			cis	-161	153.9	-6.6	6.6	0	0	0	0	110
712	H	28.8	Very low	32.9	Very low	191 Å²	191	152.7 Å²	152.7	88%	0.884	81%	0.812	S	S	*	*			trans	-178.7	162.1	131.5	-104.5	-76.7	0	0	0	113.5
713	R	29.4	Very low	33.2	Very low	226 Å²	226	149.5 Å²	149.5	85%	0.853	81%	0.808	S	S	*	*			trans	-149	173.4	176.5	-124.7	-167.5	175.4	-171.6	-1.2	107.1
714	P	46	Very low	34.3	Very low	120 Å²	120	144.6 Å²	144.6	78%	0.779	81%	0.805	S	S	*	*			cis	-122	-144.3	33	32.8	-9	0	0	0	111.4
715	A	30.3	Very low	34.4	Very low	92 Å²	92	140 Å²	140	76%	0.76	81%	0.805	S	S	*	*			cis	-157.6	158.2	-2.2	0	0	0	0	0	112.1
716	G	29.3	Very low	34.7	Very low	80 Å²	80	137.9 Å²	137.9	83%	0.825	81%	0.808	S	S	*	*			trans	70	151.9	157.3	0	0	0	0	0	119.3
717	S	29.8	Very low	34.8	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	81%	0.808	S	S	*	*			cis	-158.5	137.4	-15.8	-161.1	0	0	0	0	113
718	L	31.9	Very low	35.1	Very low	174 Å²	174	126.5 Å²	126.5	91%	0.911	80%	0.796	S	S	*	*			trans	60.7	168.8	157.5	-68.8	168.5	0	0	0	121.6
719	A	32.5	Very low	36	Very low	90 Å²	90	124.7 Å²	124.7	74%	0.744	80%	0.8	S	S	*	*			trans	-145	-164	-165.3	0	0	0	0	0	108.2
720	P	48.1	Very low	35.3	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	81%	0.81	S	S	*	*			cis	-137	-175.1	7.5	44.1	-25.2	0	0	0	116.4
721	S	36	Very low	35.4	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	81%	0.814	S	S	*	*			trans	-89.3	171.9	163	-44.6	0	0	0	0	111.5
722	P	47.9	Very low	35.6	Very low	125 Å²	125	123 Å²	123	81%	0.812	81%	0.814	S	S	*	*				-150.8	153.2	98.7	39	-22.7	0	0	0	118
723	A	35.2	Very low	35.8	Very low	95 Å²	95	123 Å²	123	79%	0.785	81%	0.814	S	S	*	*			trans	36.9	148.8	138.8	0	0	0	0	0	124.3
724	P	51.5	Low	35.8	Very low	124 Å²	124	120.4 Å²	120.4	81%	0.805	81%	0.809	S	S	*	*			trans	-99.7	174.2	-179.6	41.4	-37.1	0	0	0	114.8
725	T	29.8	Very low	35	Very low	148 Å²	148	122.9 Å²	122.9	91%	0.908	82%	0.815	S	S	*	*			trans	-129.2	163.7	166.9	50.9	0	0	0	0	111.8
726	S	34.4	Very low	34.8	Very low	118 Å²	118	122.2 Å²	122.2	83%	0.825	82%	0.817	S	S	*	*			trans	-134.9	137.5	-173.2	59.2	0	0	0	0	112.3
727	S	33	Very low	34.8	Very low	126 Å²	126	123.6 Å²	123.6	88%	0.881	81%	0.814	S	S	*	*			trans	-157.6	141.2	157.7	51.8	0	0	0	0	112.3
728	G	32.3	Very low	34.6	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	82%	0.815	S	S	*	*			trans	-109.5	174.6	149.1	0	0	0	0	0	108.1
729	P	48.1	Very low	34.5	Very low	143 Å²	143	123.4 Å²	123.4	93%	0.929	81%	0.813	S	S	*	*				-142.1	-172.3	81.3	37.8	-21.5	0	0	0	114.1
730	A	30.8	Very low	34.5	Very low	96 Å²	96	126.5 Å²	126.5	79%	0.793	82%	0.815	S	S	*	*			trans	-106.4	163.6	-174.1	0	0	0	0	0	113.6
731	S	29.6	Very low	34.4	Very low	128 Å²	128	125.8 Å²	125.8	90%	0.895	81%	0.811	S	S	*	*			trans	-160.9	171.3	147.1	52.6	0	0	0	0	110.2
732	S	33.4	Very low	34.2	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	81%	0.811	S	S	*	*			trans	-139.4	139.8	-163.4	53.9	0	0	0	0	113.9
733	H	31.9	Very low	33.6	Very low	189 Å²	189	125.7 Å²	125.7	88%	0.875	80%	0.802	S	S	*	*			trans	-157	161.7	153.3	-72.8	-60.2	0	0	0	108.2
734	K	30.8	Very low	33.4	Very low	173 Å²	173	128.4 Å²	128.4	75%	0.752	80%	0.803	S	S	*	*			cis	158.3	131.4	-29.5	-168.1	-178.1	-173.3	-170.9	0	104.9
735	L	28.3	Very low	32.4	Very low	171 Å²	171	129.4 Å²	129.4	90%	0.895	80%	0.801	S	S	*	*			trans	71.3	144.5	170.5	-70.4	148.9	0	0	0	119
736	G	26.4	Very low	32.6	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	80%	0.795	S	S	*	*			trans	149.9	113.5	176.5	0	0	0	0	0	111.8
737	S	28.1	Very low	33.4	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	80%	0.796	S	S	*	*			trans	-134	-169.3	-179.4	61.2	0	0	0	0	111
738	C	27.4	Very low	33.2	Very low	113 Å²	113	127.3 Å²	127.3	76%	0.764	79%	0.787	S	S	*	*			trans	81.8	141.1	178.5	-56.7	0	0	0	0	114.1
739	L	29.1	Very low	33.1	Very low	164 Å²	164	130.2 Å²	130.2	86%	0.859	80%	0.796	S	S	*	*			cis	-150.5	167.6	6.2	-116.7	155.2	0	0	0	111.4
740	L	31.4	Very low	32.1	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	78%	0.783	S	S	*	*			trans	-93.3	178.6	168.2	-70.7	169.9	0	0	0	110.8
741	P	46	Very low	32	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	79%	0.785	S	S	*	*				-146.8	146.7	97.3	38.6	-22.6	0	0	0	117.2
742	D	32.5	Very low	31.9	Very low	143 Å²	143	126 Å²	126	77%	0.765	77%	0.773	S	S	*	*			trans	58.7	148	130.9	-69.9	-56.2	0	0	0	124.3
743	S	35.7	Very low	31.8	Very low	90 Å²	90	128.2 Å²	128.2	63%	0.629	78%	0.776	S	S	*	*			cis	-169	-173.9	-15.6	-122.8	0	0	0	0	112
744	L	31.3	Very low	31.6	Very low	153 Å²	153	126.9 Å²	126.9	80%	0.801	78%	0.775	S	S	*	*			trans	81.5	144.6	163.7	-52.3	178.6	0	0	0	119
745	N	29	Very low	31.8	Very low	144 Å²	144	123.4 Å²	123.4	77%	0.77	77%	0.772	S	S	*	*			cis	-162.9	167.8	-35.7	-134.2	-13.1	0	0	0	111.5
746	I	34.9	Very low	31.9	Very low	151 Å²	151	121.4 Å²	121.4	77%	0.774	77%	0.772	S	S	*	*			trans	-132.8	151.3	178.4	-40.5	172.8	0	0	0	110.6
747	P	51.8	Low	32.1	Very low	132 Å²	132	121.3 Å²	121.3	86%	0.857	77%	0.772	S	S	*	*				-143.2	165.4	121.6	37.8	-24.7	0	0	0	113
748	G	28.2	Very low	32.1	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	78%	0.775	S	S	*	*			cis	-163.6	151.9	-4.5	0	0	0	0	0	109
749	S	30.3	Very low	32.4	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	77%	0.767	S	S	*	*				62.5	133.3	89.5	-160.2	0	0	0	0	115.8
750	G	27.6	Very low	33.3	Very low	63 Å²	63	122.3 Å²	122.3	65%	0.649	76%	0.761	S	S	*	*			cis	155.6	166.6	-6.4	0	0	0	0	0	114.4
751	C	27.4	Very low	33.3	Very low	124 Å²	124	122 Å²	122	84%	0.838	76%	0.756	S	S	*	*			trans	72.1	158	159.8	-62.5	0	0	0	0	120.3
752	S	28.8	Very low	32.6	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	76%	0.756	S	S	*	*			cis	-174.5	147.6	-22.2	-95	0	0	0	0	115
753	L	30.4	Very low	32.4	Very low	147 Å²	147	119.9 Å²	119.9	77%	0.77	76%	0.755	S	S	*	*			trans	61.6	168.4	141.1	-62.8	169.4	0	0	0	119.8
754	L	29.3	Very low	31.9	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	76%	0.763	S	S	*	*			cis	-143.2	-177.5	20.8	-72.6	160.1	0	0	0	112
755	S	34.4	Very low	31.7	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	76%	0.759	S	S	*	*				175.4	92.2	-51	178.4	0	0	0	0	113
756	S	30.4	Very low	31.5	Very low	128 Å²	128	122.6 Å²	122.6	90%	0.895	76%	0.762	S	S	*	*			trans	-161.9	134.3	168.4	57.8	0	0	0	0	111.4
757	G	29.5	Very low	31.1	Very low	78 Å²	78	118.3 Å²	118.3	80%	0.804	76%	0.755	S	S	*	*			cis	170.8	168	-3.1	0	0	0	0	0	108.5
758	D	29.3	Very low	30	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	76%	0.761	S	S	*	*			cis	-152.6	-115	-6.4	-171.5	-116.5	0	0	0	112.6
759	K	32.7	Very low	29.9	Very low	134 Å²	134	123.1 Å²	123.1	58%	0.583	77%	0.765	S	S	*	*			trans	-144.8	-176.2	-163.3	-88	-169.7	170.1	-159	0	114.7	E761	K759-E761 WeakPolarHBondContact CE-OE1 3.38Å; K759-E761 IonicContact NZ-OE1 3.59Å; K759-E761 PolarHBondContact NZ-OE1 2.96Å; K759-E761 IonicContact NZ-OE2 2.69Å; K759-E761 PolarHBondContact NZ-OE2 2.92Å
760	P	48.4	Very low	29.9	Very low	116 Å²	116	125 Å²	125	75%	0.753	76%	0.764	S	S	*	*			cis	-118.3	168.8	1.7	19.5	6.2	0	0	0	114.4
761	E	32.4	Very low	30.1	Very low	147 Å²	147	130.1 Å²	130.1	69%	0.687	78%	0.776	S	S	*	*				69.5	142.6	50.9	-68.9	180	168.6	0	0	116.1	K759	K759-E761 WeakPolarHBondContact CE-OE1 3.38Å; K759-E761 IonicContact NZ-OE1 3.59Å; K759-E761 PolarHBondContact NZ-OE1 2.96Å; K759-E761 IonicContact NZ-OE2 2.69Å; K759-E761 PolarHBondContact NZ-OE2 2.92Å
762	A	30.8	Very low	30.2	Very low	86 Å²	86	127.4 Å²	127.4	71%	0.711	77%	0.769	S	S	*	*			cis	-175.4	178.4	-22.2	0	0	0	0	0	112
763	V	27.3	Very low	30.3	Very low	123 Å²	123	129.8 Å²	129.8	75%	0.745	78%	0.78	S	S	*	*			trans	95.2	121.7	153.7	-170.1	0	0	0	0	123
764	M	25.6	Very low	30.2	Very low	163 Å²	163	126.8 Å²	126.8	80%	0.803	78%	0.784	S	S	*	*			trans	-8.1	157.8	153.4	-49.5	-177.7	-64.5	0	0	124.8
765	V	26.7	Very low	30.3	Very low	116 Å²	116	123.9 Å²	123.9	70%	0.703	78%	0.784	S	S	*	*				157.7	120.4	114	165.4	0	0	0	0	116.3
766	I	26.3	Very low	30	Very low	165 Å²	165	130.7 Å²	130.7	85%	0.846	79%	0.794	S	S	*	*			trans	32.2	126.1	141.1	-50.5	170.9	0	0	0	123.4
767	G	25.9	Very low	30.2	Very low	61 Å²	61	131.9 Å²	131.9	63%	0.629	79%	0.787	S	S	*	*				130	124.4	111.4	0	0	0	0	0	124.4
768	K	28.1	Very low	30.7	Very low	223 Å²	223	133.7 Å²	133.7	97%	0.97	79%	0.785	S	S	*	*			trans	64.9	154.1	157.4	-55.6	172	-177.4	173.1	0	116.4
769	G	27.3	Very low	30.6	Very low	75 Å²	75	131.4 Å²	131.4	77%	0.773	78%	0.78	S	S	*	*			cis	-165	-160.2	-3.5	0	0	0	0	0	107.8
770	L	29.6	Very low	30.4	Very low	166 Å²	166	132.9 Å²	132.9	87%	0.869	79%	0.792	S	S	*	*			cis	-166.9	177.9	-12.5	-131.4	176.9	0	0	0	108.2
771	L	32.1	Very low	29.5	Very low	171 Å²	171	136.1 Å²	136.1	90%	0.895	79%	0.794	S	S	*	*			trans	66.5	141	-175.8	-58.4	160.7	0	0	0	114.6
772	G	28.5	Very low	29.4	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	80%	0.8	S	S	*	*			cis	143.2	136.5	-0.9	0	0	0	0	0	109.6
773	T	31.6	Very low	29.2	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	81%	0.809	S	S	*	*			cis	-161.3	147.1	10.3	51.5	0	0	0	0	113.2
774	G	28.4	Very low	29.4	Very low	83 Å²	83	144.5 Å²	144.5	86%	0.856	81%	0.814	S	S	*	*			trans	84.2	153.6	155.6	0	0	0	0	0	118.4
775	A	30.5	Very low	29.5	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	82%	0.817	S	S	*	*			cis	-155.2	140.5	-7.5	0	0	0	0	0	114.7
776	R	29.1	Very low	29.5	Very low	244 Å²	244	144.3 Å²	144.3	92%	0.921	82%	0.819	S	S	*	*			trans	25.3	121.1	153.8	-70.1	-178.3	173.8	169.7	-1.7	122.4
777	M	34.8	Very low	29.8	Very low	153 Å²	153	148.1 Å²	148.1	75%	0.754	82%	0.823	S	S	*	*			trans	-63.1	161.9	142.7	-77.3	-95.2	-76.1	0	0	112.2	C779	M777-C779 WeakPolarHBondContact CE-SG 3.42Å
778	P	39.1	Very low	30.4	Very low	115 Å²	115	150.8 Å²	150.8	75%	0.747	83%	0.829	S	S	*	*				-142.5	150.8	111.3	38	-26.1	0	0	0	115.5
779	C	28.4	Very low	30.8	Very low	108 Å²	108	151.8 Å²	151.8	73%	0.73	83%	0.827	S	S	*	*			trans	-89.8	144.5	163.4	-62.7	0	0	0	0	111.2	M777	M777-C779 WeakPolarHBondContact CE-SG 3.42Å
780	I	28.5	Very low	30.9	Very low	166 Å²	166	156.6 Å²	156.6	85%	0.851	83%	0.834	S	S	*	*			trans	-132.2	144	165	-65.8	-176.6	0	0	0	109.6
781	K	28.1	Very low	30.9	Very low	183 Å²	183	151.9 Å²	151.9	80%	0.796	83%	0.826	S	S	*	*			trans	-101.6	146.7	179.7	-88.8	-176.6	174.8	177.4	0	112.6
782	T	31.3	Very low	30.9	Very low	131 Å²	131	156.1 Å²	156.1	80%	0.804	83%	0.829	S	S	*	*			trans	54.3	127.7	146.3	56	0	0	0	0	121
783	R	25.9	Very low	30.8	Very low	236 Å²	236	156.3 Å²	156.3	89%	0.891	83%	0.832	S	S	*	*				-152.7	146.5	117.5	-131.3	178.1	-174	-177.4	2.5	113.6
784	L	32	Very low	30.8	Very low	165 Å²	165	155.2 Å²	155.2	86%	0.864	83%	0.83	S	S	*	*			trans	-91.5	142.5	163.7	-85.1	158.8	0	0	0	109.5
785	Q	27.5	Very low	32.3	Very low	186 Å²	186	156.7 Å²	156.7	87%	0.869	83%	0.825	S	S	*	*			trans	-153.4	166.4	152	-112.1	177.5	8.1	0	0	109.4
786	A	27.7	Very low	33.4	Very low	90 Å²	90	156.8 Å²	156.8	74%	0.744	82%	0.817	S	S	*	*			trans	-148	159.1	-161.8	0	0	0	0	0	114.3
787	R	31.4	Very low	33.8	Very low	244 Å²	244	150.8 Å²	150.8	92%	0.921	81%	0.807	S	S	*	*			trans	71.8	162.9	165.9	-80.7	-177.2	-177.6	-159.3	2.6	115
788	P	39.6	Very low	33.6	Very low	117 Å²	117	154 Å²	154	76%	0.76	81%	0.811	S	S	*	*			cis	-118.4	171.3	16.2	41.5	-29.8	0	0	0	117.5
789	R	35.3	Very low	33.2	Very low	244 Å²	244	160 Å²	160	92%	0.921	82%	0.819	S	S	*	*			trans	-92	141.9	156.1	-75.3	-177.9	173.1	-178.9	-2.7	108.8
790	L	29.7	Very low	33.2	Very low	177 Å²	177	158.2 Å²	158.2	93%	0.927	82%	0.818	S	S	*	*			trans	-145.1	158.6	160.3	-107.5	166	0	0	0	108.7
791	G	29.1	Very low	33.3	Very low	67 Å²	67	159.1 Å²	159.1	69%	0.691	82%	0.822	S	S	*	*			trans	174.3	153.5	177	0	0	0	0	0	114
792	R	31.8	Very low	33.3	Very low	259 Å²	259	159.8 Å²	159.8	98%	0.977	82%	0.824	S	S	*	*			trans	-173.1	153.8	169.2	-106.6	170.2	179.2	-123.4	0.9	108.2
793	G	26.4	Very low	33.2	Very low	73 Å²	73	157 Å²	157	75%	0.753	82%	0.821	S	S	*	*			trans	165.1	69.8	177.6	0	0	0	0	0	115.8
794	S	33.1	Very low	33.4	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	82%	0.821	S	S	*	*			trans	-170.6	163.8	172.2	-66.3	0	0	0	0	108.8
795	P	59.9	Low	33.2	Very low	114 Å²	114	149.3 Å²	149.3	74%	0.74	82%	0.818	S	S	*	*			cis	-117.9	-144.6	-7.3	30.3	-6.4	0	0	0	110.2
796	P	53.7	Low	33.1	Very low	102 Å²	102	143.5 Å²	143.5	66%	0.662	81%	0.807	S	S	*	*				-156	135.7	73.3	39.5	-17.5	0	0	0	119.3
797	T	35.7	Very low	33.9	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.724	81%	0.808	S	S	*	*			trans	59.3	160.5	134.6	70.7	0	0	0	0	122
798	R	32.3	Very low	33.7	Very low	221 Å²	221	139.5 Å²	139.5	83%	0.834	80%	0.803	S	S	*	*			cis	-164.7	171.4	-2.5	-127.9	171.7	179.1	-168.4	-0.1	113.5
799	R	30.5	Very low	33.1	Very low	240 Å²	240	139.4 Å²	139.4	91%	0.906	81%	0.805	S	S	*	*			trans	75.3	136.6	159.1	-75	175.9	170.2	171.2	-3.2	118.6
800	G	27.9	Very low	33.1	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	80%	0.8	S	S	*	*			cis	146.2	146.9	-20.4	0	0	0	0	0	116.3
801	M	30.2	Very low	32.9	Very low	186 Å²	186	131.3 Å²	131.3	92%	0.916	79%	0.793	S	S	*	*			trans	62.4	146.4	169.4	-79.4	-177.3	165.1	0	0	117
802	K	29.6	Very low	33.8	Very low	197 Å²	197	133.1 Å²	133.1	86%	0.857	79%	0.793	S	S	*	*			cis	-137.2	-170.1	3	-106.4	166.1	-172.2	-179.6	0	107.7
803	G	28.2	Very low	33.5	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	79%	0.786	S	S	*	*			cis	-177.3	-145.3	7.4	0	0	0	0	0	112.2
804	S	29.4	Very low	33.5	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	78%	0.782	S	S	*	*			trans	-91.3	170.2	174.3	47.4	0	0	0	0	112
805	S	29.3	Very low	33.2	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	78%	0.779	S	S	*	*			cis	-155.8	178.1	29.5	54	0	0	0	0	114
806	G	24.7	Very low	31.6	Very low	63 Å²	63	138 Å²	138	65%	0.649	77%	0.773	S	S	*	*			trans	-108.8	-158.9	161.7	0	0	0	0	0	111.6
807	P	44.9	Very low	30.4	Very low	116 Å²	116	138.1 Å²	138.1	75%	0.753	78%	0.776	S	S	*	*			cis	-138.7	-153.1	7	43.1	-23.1	0	0	0	114.6
808	T	26.8	Very low	30.1	Very low	135 Å²	135	136.3 Å²	136.3	83%	0.828	77%	0.768	S	S	*	*			trans	83.5	146.9	156.2	32.5	0	0	0	0	122.8
809	S	26.3	Very low	29.9	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	77%	0.765	S	S	*	*			trans	-91.2	-172.7	-175	-24.8	0	0	0	0	111.7
810	P	34.7	Very low	29.7	Very low	124 Å²	124	128.7 Å²	128.7	81%	0.805	76%	0.756	S	S	*	*			cis	-145.4	-172.9	34.2	43.2	-20.8	0	0	0	118.4
811	T	25.8	Very low	29.7	Very low	127 Å²	127	133.1 Å²	133.1	78%	0.779	76%	0.758	S	S	*	*			trans	-88.9	-177	171	51.3	0	0	0	0	113
812	P	49.2	Very low	30.5	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	75%	0.751	S	S	*	*			cis	-133.2	-143.9	-42.6	34.5	-12.3	0	0	0	110.9
813	R	26	Very low	30.4	Very low	225 Å²	225	123.9 Å²	123.9	85%	0.849	75%	0.745	S	S	*	*			trans	81.7	154.5	167.8	-62.2	-170.7	174.5	-177.4	-1.4	115.8
814	T	25	Very low	31.5	Very low	107 Å²	107	126.2 Å²	126.2	66%	0.656	75%	0.747	S	S	*	*			cis	-164	159.8	-5.1	11.9	0	0	0	0	111.4
815	R	27.4	Very low	31.4	Very low	203 Å²	203	126.2 Å²	126.2	77%	0.766	75%	0.745	S	S	*	*			trans	64.2	162.4	145.9	-77.1	173.5	131.1	-176.9	-22	117.5
816	E	25.9	Very low	31.5	Very low	133 Å²	133	126.3 Å²	126.3	62%	0.621	75%	0.746	S	S	*	*			cis	-145.8	-168.4	-10.1	-140.1	140.5	-170.9	0	0	112.9
817	S	28.9	Very low	31.7	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	75%	0.75	S	S	*	*			trans	-70.7	-174.5	169.6	52.5	0	0	0	0	112.7
818	S	28.6	Very low	31	Very low	79 Å²	79	131.6 Å²	131.6	55%	0.552	76%	0.756	S	S	*	*			cis	-166.1	170.5	26.8	59.5	0	0	0	0	114.9
819	E	28.5	Very low	32.2	Very low	165 Å²	165	131.4 Å²	131.4	77%	0.771	76%	0.757	S	S	*	*			trans	60.1	165.5	143.4	-68.7	159.5	136.6	0	0	120.6
820	L	27.2	Very low	32.2	Very low	136 Å²	136	129.6 Å²	129.6	71%	0.712	76%	0.756	S	S	*	*			cis	-164.7	133.3	-32.6	-107.9	170.8	0	0	0	108.8
821	E	26.6	Very low	32.2	Very low	164 Å²	164	131.3 Å²	131.3	77%	0.766	76%	0.758	S	S	*	*			trans	42.4	-173.9	143.7	-72	-58.2	131.9	0	0	121.6
822	P	46.4	Very low	33.4	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	76%	0.76	S	S	*	*			cis	-124.3	178.4	-38.4	25.6	-5.5	0	0	0	113.2
823	G	28.1	Very low	32.8	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	77%	0.769	S	S	*	*			trans	161.7	148.9	153.7	0	0	0	0	0	118.2
824	P	51	Low	33	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	77%	0.769	S	S	*	*			trans	-136.6	-174.8	-138	40.3	-21.1	0	0	0	118.6
825	C	28	Very low	33.2	Very low	124 Å²	124	135.8 Å²	135.8	84%	0.838	78%	0.781	S	S	*	*			trans	75.8	149.2	167.2	-60.2	0	0	0	0	117.3
826	S	30.9	Very low	34.8	Very low	118 Å²	118	131.3 Å²	131.3	83%	0.825	78%	0.779	S	S	*	*			cis	-165	-171.3	-13.2	59.2	0	0	0	0	108.1
827	A	28.8	Very low	36.1	Very low	89 Å²	89	131 Å²	131	74%	0.736	79%	0.788	S	S	*	*			cis	-153.9	-134.3	6.1	0	0	0	0	0	112
828	K	30.7	Very low	36.4	Very low	200 Å²	200	137 Å²	137	87%	0.87	79%	0.794	S	S	*	*			trans	-155.5	-163.4	176.1	-54.8	-174.3	-179.5	177	0	109.3
829	P	51.6	Low	37.4	Very low	132 Å²	132	139.3 Å²	139.3	86%	0.857	81%	0.808	S	S	*	*			cis	-137.6	-171.7	-14.4	42.2	-23.3	0	0	0	115.9
830	G	27.1	Very low	37.9	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	81%	0.813	S	S	*	*			trans	174	141.2	162.6	0	0	0	0	0	116.8
831	L	33.8	Very low	38.3	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	82%	0.819	S	S	*	*			trans	-167	153.9	178.1	-118.4	171.2	0	0	0	111.1
832	P	51	Low	38.7	Very low	126 Å²	126	138.4 Å²	138.4	82%	0.818	82%	0.819	S	S	*	*				-154.6	-151.9	102.7	40.5	-19	0	0	0	116.4
833	Q	37.4	Very low	38.7	Very low	189 Å²	189	139 Å²	139	88%	0.883	82%	0.823	S	S	*	*			trans	-125.9	165.1	-157.9	-51	172.4	-4.5	0	0	116.5
834	A	29.4	Very low	39	Very low	104 Å²	104	139.8 Å²	139.8	86%	0.86	82%	0.823	S	S	*	*			trans	-167	160.9	153.3	0	0	0	0	0	115.5
835	R	30.1	Very low	38	Very low	240 Å²	240	144.1 Å²	144.1	91%	0.906	83%	0.83	S	S	*	*			trans	-176.6	178.5	176.1	-119.3	-168.8	-178.2	-172	3.8	110.2
836	P	61.4	Low	38.1	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	83%	0.826	S	S	*	*			cis	-120.1	-161.7	-42.6	40.4	-22.1	0	0	0	111.5
837	P	51.8	Low	39	Very low	126 Å²	126	143.8 Å²	143.8	82%	0.818	83%	0.826	S	S	*	*				-153.8	-157	86.1	40.3	-17.5	0	0	0	116.4
838	R	37.2	Very low	39.1	Very low	229 Å²	229	147.7 Å²	147.7	86%	0.864	83%	0.832	S	S	*	*			trans	-138	170.8	-176.7	-74.1	-175.3	174.7	-178.8	-2.4	112.8
839	P	48.7	Very low	39.1	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	82%	0.823	S	S	*	*				-137.6	-162.8	121.9	35.7	-20.4	0	0	0	116.1
840	R	39.5	Very low	37.9	Very low	232 Å²	232	141.9 Å²	141.9	88%	0.875	82%	0.819	S	S	*	*			trans	-113.4	178.1	-173.2	-65.1	174.7	171.9	164.3	-4.1	110.6
841	S	35.3	Very low	38.1	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	81%	0.814	S	S	*	*			cis	-169.5	-179	47.7	-64.7	0	0	0	0	113.2
842	A	34.6	Very low	38	Very low	92 Å²	92	143.2 Å²	143.2	76%	0.76	82%	0.816	S	S	*	*			trans	-116.8	174.5	174.4	0	0	0	0	0	112.3
843	P	46.2	Very low	36.9	Very low	131 Å²	131	142.1 Å²	142.1	85%	0.851	81%	0.811	S	S	*	*				-146.9	-170.3	104.7	40.8	-24.9	0	0	0	114.8
844	A	35.5	Very low	36.6	Very low	88 Å²	88	140.3 Å²	140.3	73%	0.727	81%	0.808	S	S	*	*			trans	-146.8	159.1	178.1	0	0	0	0	0	111.9
845	F	29.3	Very low	36.8	Very low	211 Å²	211	140.1 Å²	140.1	93%	0.925	80%	0.8	S	S	*	*			trans	-153.5	172.5	171.5	-102.1	-71.1	0	0	0	113.6
846	S	29.3	Very low	37.5	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	80%	0.798	S	S	*	*			trans	-113	168.2	-164.8	-56.1	0	0	0	0	113.5
847	P	50.8	Low	36.1	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	80%	0.796	S	S	*	*			trans	-90.9	159	-170.6	36.3	-35.8	0	0	0	115
848	I	30	Very low	35	Very low	170 Å²	170	140.7 Å²	140.7	87%	0.872	80%	0.804	S	S	*	*			trans	-136.8	157	173.7	-64.3	-178.4	0	0	0	109.5
849	S	31.1	Very low	34.7	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	80%	0.797	S	S	*	*			trans	-110.2	-175.5	-172.9	58.1	0	0	0	0	114.4
850	C	27.7	Very low	33.8	Very low	115 Å²	115	135.2 Å²	135.2	78%	0.777	79%	0.792	S	S	*	*			trans	79.7	157	168.2	-52	0	0	0	0	116.6
851	S	29.6	Very low	33.4	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	80%	0.795	S	S	*	*			cis	-175.9	139.8	-32.6	54.3	0	0	0	0	112.2
852	L	31.3	Very low	33.4	Very low	168 Å²	168	135.4 Å²	135.4	88%	0.88	79%	0.794	S	S	*	*			trans	63.6	168.6	154.2	-80.5	163.9	0	0	0	120.8
853	S	29.9	Very low	33.1	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	80%	0.797	S	S	*	*			trans	69	142.8	174.5	71.4	0	0	0	0	117.3
854	D	29.5	Very low	32.3	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	79%	0.794	S	S	*	*			cis	-154.2	178.8	-16.2	-126.8	-53.1	0	0	0	113.7
855	S	34.1	Very low	33	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	80%	0.795	S	S	*	*			trans	-85.7	172.5	-179.2	-50.3	0	0	0	0	113.6
856	P	45.3	Very low	33.3	Very low	134 Å²	134	132 Å²	132	87%	0.87	80%	0.795	S	S	*	*				-143.1	170.2	87	38.1	-22.2	0	0	0	115.8
857	S	32	Very low	33.2	Very low	94 Å²	94	130.4 Å²	130.4	66%	0.657	80%	0.796	S	S	*	*			trans	-105.1	164.7	-174.9	53.3	0	0	0	0	114.1
858	W	29.1	Very low	32.3	Very low	258 Å²	258	133.4 Å²	133.4	98%	0.977	80%	0.799	S	S	*	*			trans	-131.8	155.1	158.3	-98	68.8	0	0	0	110.3
859	N	30.5	Very low	33	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	79%	0.79	S	S	*	*			trans	-103.5	140.6	-154.1	-73.7	-38.4	0	0	0	116.9
860	C	29	Very low	33	Very low	107 Å²	107	135.1 Å²	135.1	72%	0.723	80%	0.802	S	S	*	*			trans	10.3	142.6	136	-48.9	0	0	0	0	121.3
861	Y	32.2	Very low	33.1	Very low	237 Å²	237	135.4 Å²	135.4	93%	0.929	80%	0.8	S	S	*	*			trans	-135.6	163.8	131.7	-106.4	-81.6	0	0	0	110.1
862	S	34.8	Very low	33	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	81%	0.808	S	S	*	*			trans	-138.6	158.7	-157.2	52.9	0	0	0	0	114.8
863	G	28.5	Very low	32.9	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	81%	0.805	S	S	*	*			trans	-175.4	110.6	172.8	0	0	0	0	0	113.2
864	G	28.5	Very low	32.9	Very low	76 Å²	76	139 Å²	139	78%	0.784	81%	0.808	S	S	*	*			trans	-97.7	-163.6	166.6	0	0	0	0	0	111.7
865	P	50.4	Low	33.2	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	81%	0.807	S	S	*	*			cis	-138.9	157.8	26.9	40.4	-22.5	0	0	0	118.4
866	L	35.2	Very low	32.9	Very low	178 Å²	178	142.4 Å²	142.4	93%	0.932	82%	0.816	S	S	*	*			trans	42.9	121.1	140.2	-62.6	168.8	0	0	0	122
867	G	28.7	Very low	32.3	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	81%	0.812	S	S	*	*			trans	-177	114.1	158.3	0	0	0	0	0	112.6
868	Q	31.1	Very low	32.5	Very low	190 Å²	190	142.5 Å²	142.5	89%	0.888	82%	0.817	S	S	*	*			trans	-156.1	167.4	176.6	-101.3	-152.1	16.6	0	0	109.6
869	P	45.3	Very low	32.7	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	81%	0.808	S	S	*	*			cis	-125.6	172.5	-3	40.4	-27.6	0	0	0	113.7
870	E	29.6	Very low	32.6	Very low	199 Å²	199	137.7 Å²	137.7	93%	0.93	82%	0.816	S	S	*	*			trans	-156.5	168.5	137.6	-129.3	174.1	-152.7	0	0	112.6
871	V	30.5	Very low	32.6	Very low	121 Å²	121	139.4 Å²	139.4	73%	0.733	82%	0.823	S	S	*	*			trans	-118.3	137.3	-162.9	176	0	0	0	0	111.5	F873	V871-F873 HydrophobicContact CG1-CD2 4.48Å; V871-F873 HydrophobicContact CG1-CE2 4.34Å
872	C	27.7	Very low	32.5	Very low	125 Å²	125	135.9 Å²	135.9	85%	0.845	82%	0.819	S	S	*	*			trans	-143.8	147.6	161.7	-151.1	0	0	0	0	112.2
873	F	29	Very low	32.1	Very low	187 Å²	187	135.1 Å²	135.1	82%	0.82	81%	0.814	S	S	*	*			trans	-89.8	144.2	-167.2	-83.2	-112.2	0	0	0	113.3	V871	V871-F873 HydrophobicContact CG1-CD2 4.48Å; V871-F873 HydrophobicContact CG1-CE2 4.34Å
874	V	30.3	Very low	32.7	Very low	130 Å²	130	137 Å²	137	79%	0.788	81%	0.812	S	S	*	*			trans	-116.2	118.2	166.7	-179.3	0	0	0	0	109.5
875	P	34.9	Very low	33.1	Very low	118 Å²	118	145 Å²	145	77%	0.766	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.4	138	175.7	29.5	-33.1	0	0	0	111.3
876	K	28.3	Very low	32.3	Very low	206 Å²	206	149.9 Å²	149.9	90%	0.896	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-86.9	128.1	-177.6	-66.9	176.4	178.6	175.3	0	112.1
877	S	33.2	Very low	32.2	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84.3	144.9	164.4	-61.4	0	0	0	0	111.1
878	P	35.9	Very low	32.4	Very low	118 Å²	118	152.3 Å²	152.3	77%	0.766	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-76.1	151.5	-179	31	-35.3	0	0	0	112.9
879	P	32.5	Very low	32.4	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-79	141	-175.9	31.6	-35.3	0	0	0	113.2
880	L	29.4	Very low	31.7	Very low	171 Å²	171	152.9 Å²	152.9	90%	0.895	85%	0.851	S	S	*	*			trans	-91.6	115.7	168.3	-75.6	167.8	0	0	0	110.3	I882	L880-I882 PolarHBondContact O-N 3.23Å
881	T	28.3	Very low	31.8	Very low	142 Å²	142	150.1 Å²	150.1	87%	0.871	85%	0.846	S	S	*	*			trans	-71.1	113	173.4	41.1	0	0	0	0	111.5
882	I	31.2	Very low	31.9	Very low	163 Å²	163	152 Å²	152	84%	0.836	85%	0.854	S	S	*	*			trans	-75.9	134.7	166	-60.9	172.8	0	0	0	108.3	L880	L880-I882 PolarHBondContact O-N 3.23Å
883	S	24.9	Very low	32.2	Very low	104 Å²	104	153.9 Å²	153.9	73%	0.727	85%	0.854	S	S	*	*			trans	-127	123	173.1	-173	0	0	0	0	109.7
884	P	42.7	Very low	32.4	Very low	120 Å²	120	151.4 Å²	151.4	78%	0.779	86%	0.857	S	S	*	*			trans	-73.5	149.2	-178.6	31.4	-34.7	0	0	0	111.1
885	R	36.5	Very low	32.6	Very low	244 Å²	244	153.2 Å²	153.2	92%	0.921	86%	0.863	S	S	*	*			trans	-101	135.8	171.6	-75.2	-175.3	173.5	-173	-4.4	111.3
886	V	33.4	Very low	32.4	Very low	217 Å²	217	156.4 Å²	156.4	100%	1.315	87%	0.872	S	S	*	*			trans	-97.3	0	146.8	-177.6	0	0	0	0	106.9

Retrieved 886 of 886 residues in 198.1 ms (Link to these results)

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