A0A087Y545_POEFO Loading...

Tubulin--tyrosine ligase

Catalyzes the post-translational addition of a tyrosine to the C-terminal end of detyrosinated alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A087Y545, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.4	Very low	78.1	Confident	247 Å²	247	77.4 Å²	77.4	100%	1.217	42%	0.422	S	S	*	.				0	108.2	0	-66.8	179.5	-171.3	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 3.01Å
2	M	45.4	Very low	79.7	Confident	195 Å²	195	74.7 Å²	74.7	96%	0.961	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-69.6	116.9	171.8	-78.7	178	165.3	0	0	107.3	S4	M2-S4 PolarHBondContact O-N 3.16Å
3	S	57.5	Low	81	Confident	115 Å²	115	70.2 Å²	70.2	80%	0.804	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-53.8	122.2	169.7	168.9	0	0	0	0	108.4	M1	M1-S3 PolarHBondContact O-N 3.01Å
4	S	62.2	Low	81.7	Confident	47 Å²	47	73.7 Å²	73.7	33%	0.329	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-51.8	141.2	169.1	-61.7	0	0	0	0	109.5	M2 M6	M2-S4 PolarHBondContact O-N 3.16Å; S4-M6 PolarHBondContact O-N 3.38Å
5	P	73.1	Confident	82.5	Confident	60 Å²	60	77.3 Å²	77.3	39%	0.39	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-59.3	130.1	179.8	23.2	-31.7	0	0	0	110	Y7	P5-Y7 HydrophobicContact CG-CE2 4.29Å
6	M	90.8	Very high	83.3	Confident	125 Å²	125	73.1 Å²	73.1	62%	0.616	39%	0.393	S	S	*	.			trans	-87.4	109.4	174	-179.9	169.1	54.8	0	0	108.8	S4 K33	S4-M6 PolarHBondContact O-N 3.38Å; M6-K33 HydrophobicContact CE-CD 4.48Å; M6-K33 HydrophobicContact CG-CB 4.28Å; M6-K33 HydrophobicContact SD-CB 4.1Å; M6-K33 HydrophobicContact SD-CD 4.18Å
7	Y	96.8	Very high	84	Confident	30 Å²	30	73.4 Å²	73.4	12%	0.118	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	157.9	174.9	-60.7	-67.3	0	0	0	111.1	P5 H31 W32 K33 F364 T365	P5-Y7 HydrophobicContact CG-CE2 4.29Å; Y7-H31 PolarHBondContact N-O 2.81Å; Y7-W32 HydrophobicContact CD2-CZ2 4.1Å; Y7-W32 HydrophobicContact CG-CH2 4.24Å; Y7-W32 HydrophobicContact CG-CZ2 4.07Å; Y7-W32 CarbonylContact O-C 3.56Å; Y7-W32 WeakPolarHBondContact O-CA 3.38Å; Y7-K33 PolarHBondContact O-N 2.65Å; Y7-F364 HydrophobicContact CD1-CB 4.09Å; Y7-F364 AromaticContact CD1-CD1 3.87Å; Y7-F364 HydrophobicContact CD1-CD1 3.87Å; Y7-F364 HydrophobicContact CD1-CG 4.21Å; Y7-F364 HydrophobicContact CD2-CB 4.08Å; Y7-F364 HydrophobicContact CE1-CB 3.85Å; Y7-F364 AromaticContact CE1-CD1 3.79Å; Y7-F364 HydrophobicContact CE1-CD1 3.79Å; Y7-F364 HydrophobicContact CE1-CG 4.22Å; Y7-F364 HydrophobicContact CE2-CB 3.84Å; Y7-F364 HydrophobicContact CG-CB 4.2Å; Y7-T365 PolarHBondContact OH-O 3.41Å
8	T	98.1	Very high	84.7	Confident	22 Å²	22	69.4 Å²	69.4	14%	0.135	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.5	-177.7	54.6	0	0	0	0	111.7	K33 L35 R41 F42 N43 L44	T8-K33 VanDerWaalsContact CA-O 3.3Å; T8-K33 WeakPolarHBondContact CA-O 3.5Å; T8-K33 HydrophobicContact CG2-CB 4.41Å; T8-L35 HydrophobicContact CG2-CD1 4.04Å; T8-L35 HydrophobicContact CG2-CD2 4.09Å; T8-L35 HydrophobicContact CG2-CG 4.15Å; T8-R41 PolarHBondContact OG1-O 2.94Å; T8-F42 WeakPolarHBondContact OG1-CA 3.19Å; T8-N43 PolarHBondContact N-OD1 3.08Å; T8-N43 WeakPolarHBondContact O-CA 3.26Å; T8-N43 VanDerWaalsContact O-CB 3.31Å; T8-N43 WeakPolarHBondContact O-CB 3.27Å; T8-N43 PolarHBondContact O-N 2.88Å; T8-N43 PolarHBondContact OG1-N 3.05Å; T8-N43 PolarHBondContact OG1-OD1 3.11Å; T8-L44 PolarHBondContact O-N 3.45Å
9	F	98.6	Very high	85.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.3	175.9	77.6	-80.3	0	0	0	112.8	S23 L26 L27 W32 K33 R34 L35 L44 L46	F9-S23 VanDerWaalsContact CE2-OG 3.27Å; F9-S23 WeakPolarHBondContact CE2-OG 3.48Å; F9-S23 WeakPolarHBondContact CZ-OG 3.23Å; F9-L26 HydrophobicContact CE1-CB 4.43Å; F9-L27 HydrophobicContact CE1-CD2 3.97Å; F9-L27 HydrophobicContact CE1-CG 4.12Å; F9-L27 HydrophobicContact CZ-CD1 4.41Å; F9-L27 HydrophobicContact CZ-CD2 4.29Å; F9-L27 HydrophobicContact CZ-CG 4.09Å; F9-W32 HydrophobicContact CB-CE3 4.07Å; F9-W32 HydrophobicContact CB-CZ3 4.07Å; F9-W32 HydrophobicContact CD1-CB 4.34Å; F9-W32 AromaticContact CD1-CE3 3.98Å; F9-W32 HydrophobicContact CD1-CE3 3.98Å; F9-W32 HydrophobicContact CE1-CB 4.41Å; F9-W32 HydrophobicContact CG-CE3 4.44Å; F9-K33 PolarHBondContact N-O 3.15Å; F9-R34 HydrophobicContact CD1-CB 4.39Å; F9-R34 HydrophobicContact CE1-CB 3.72Å; F9-R34 HydrophobicContact CE1-CG 4.36Å; F9-R34 HydrophobicContact CE2-CB 4.2Å; F9-R34 HydrophobicContact CE2-CG 3.94Å; F9-R34 HydrophobicContact CZ-CB 3.61Å; F9-R34 HydrophobicContact CZ-CG 3.85Å; F9-R34 CarbonylContact O-C 3.52Å; F9-R34 WeakPolarHBondContact O-CA 3.38Å; F9-L35 PolarHBondContact O-N 2.88Å; F9-L44 CarbonylContact C-O 3.54Å; F9-L44 WeakPolarHBondContact CA-O 3.41Å; F9-L44 HydrophobicContact CB-CB 3.76Å; F9-L44 HydrophobicContact CB-CD2 4.23Å; F9-L44 HydrophobicContact CB-CG 4.16Å; F9-L44 VanDerWaalsContact CB-O 3.3Å; F9-L44 WeakPolarHBondContact CB-O 3.31Å; F9-L46 HydrophobicContact CD2-CD1 4.03Å; F9-L46 HydrophobicContact CD2-CG 4.45Å; F9-L46 HydrophobicContact CE2-CD1 4.14Å
10	V	98.6	Very high	86	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.9	169.5	-65.9	0	0	0	0	109.4	L35 K36 F42 L44 M45 L46	V10-L35 HydrophobicContact CG1-CB 4Å; V10-K36 WeakPolarHBondContact CG1-O 3.26Å; V10-F42 HydrophobicContact CB-CD1 4.49Å; V10-F42 HydrophobicContact CG1-CB 4.11Å; V10-F42 HydrophobicContact CG1-CD1 3.97Å; V10-F42 HydrophobicContact CG1-CG 4.29Å; V10-F42 HydrophobicContact CG2-CB 4.38Å; V10-F42 HydrophobicContact CG2-CD1 3.68Å; V10-F42 HydrophobicContact CG2-CD2 4.32Å; V10-F42 HydrophobicContact CG2-CE1 3.99Å; V10-F42 HydrophobicContact CG2-CG 3.86Å; V10-F42 HydrophobicContact CG2-CZ 4.45Å; V10-L44 PolarHBondContact N-O 3.39Å; V10-M45 HydrophobicContact CG2-CB 4.1Å; V10-M45 HydrophobicContact CG2-CG 3.99Å; V10-L46 PolarHBondContact O-N 3.03Å
11	S	97.8	Very high	86.5	Confident	10 Å²	10	64.6 Å²	64.6	7%	0.07	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.7	171.5	174.6	0	0	0	0	109.5	L46	S11-L46 WeakPolarHBondContact CA-O 3.39Å
12	R	97.5	Very high	89.2	Confident	45 Å²	45	52.9 Å²	52.9	17%	0.17	30%	0.295	C	S	.	.			trans	-130.8	-1.3	-169.5	-63.5	175.1	61	85.8	3.6	113.2	R37 D38 L46 E48	R12-R37 HydrophobicContact CG-CB 4.36Å; R12-R37 PolarHBondContact NH1-O 3.23Å; R12-D38 IonicContact CZ-OD1 2.91Å; R12-D38 IonicContact NH1-OD1 3.12Å; R12-D38 PolarHBondContact NH1-OD1 3.1Å; R12-L46 PolarHBondContact N-O 3.07Å; R12-E48 VanDerWaalsContact CB-OE2 3.23Å; R12-E48 WeakPolarHBondContact CB-OE2 3.48Å; R12-E48 WeakPolarHBondContact CD-OE2 3.22Å; R12-E48 IonicContact CZ-OE1 3.52Å; R12-E48 IonicContact CZ-OE2 2.73Å; R12-E48 IonicContact NE-OE1 2.65Å; R12-E48 PolarHBondContact NE-OE1 3.02Å; R12-E48 IonicContact NE-OE2 3.98Å; R12-E48 PolarHBondContact NE-OE2 3.29Å; R12-E48 IonicContact NH2-OE1 3.16Å; R12-E48 PolarHBondContact NH2-OE1 2.95Å; R12-E48 IonicContact NH2-OE2 3.73Å
13	D	95.6	Very high	91.7	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.091	25%	0.252	C	S	.	.			trans	-118.5	93.3	167	-177.1	16.3	0	0	0	110.5	N15 S16 G47 R49	D13-N15 PolarHBondContact O-N 3.46Å; D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 3.11Å; D13-S16 PolarHBondContact O-N 3.19Å; D13-S16 WeakPolarHBondContact OD2-CB 3.39Å; D13-G47 WeakPolarHBondContact CB-O 3.4Å; D13-R49 IonicContact OD1-NE 3.85Å; D13-R49 IonicContact OD1-NH2 3.52Å; D13-R49 WeakPolarHBondContact OD2-CG 3.4Å; D13-R49 IonicContact OD2-CZ 3.87Å; D13-R49 IonicContact OD2-NE 3.66Å; D13-R49 PolarHBondContact OD2-NE 3.3Å; D13-R49 IonicContact OD2-NH2 3.94Å; D13-R49 PolarHBondContact OD2-NH2 3.16Å
14	D	92	Very high	93.6	Very high	119 Å²	119	44.4 Å²	44.4	64%	0.636	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.2	178	-61.2	-46	0	0	0	112.7	R34	D14-R34 IonicContact OD1-NH2 3.2Å
15	N	93.4	Very high	95.2	Very high	128 Å²	128	43.2 Å²	43.2	68%	0.684	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.9	178.9	-60.4	-55	0	0	0	113	D13 T17 R49	D13-N15 PolarHBondContact O-N 3.46Å; D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 3.11Å; N15-T17 PolarHBondContact O-N 3.06Å; N15-R49 PolarHBondContact O-NH2 3.01Å
16	S	95.2	Very high	96.3	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.07	21%	0.211	C	C	.	.			trans	-80.8	110.6	176.5	-174.6	0	0	0	0	110.6	D13 Y19 A20	D13-S16 PolarHBondContact O-N 3.19Å; D13-S16 WeakPolarHBondContact OD2-CB 3.39Å; S16-Y19 VanDerWaalsContact OG-CD2 3.26Å; S16-Y19 WeakPolarHBondContact OG-CD2 3.38Å; S16-Y19 PolarHBondContact OG-N 2.85Å; S16-Y19 VanDerWaalsContact OG-N 3.13Å; S16-A20 WeakPolarHBondContact O-CB 3.37Å; S16-A20 PolarHBondContact O-N 3.46Å
17	T	94.8	Very high	96.6	Very high	77 Å²	77	38.1 Å²	38.1	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-38.4	174.5	48.2	0	0	0	0	112.1	N15 E21 Y348	N15-T17 PolarHBondContact O-N 3.06Å; T17-E21 PolarHBondContact O-N 2.82Å; T17-Y348 VanDerWaalsContact CB-OH 3.25Å; T17-Y348 WeakPolarHBondContact CB-OH 3.4Å; T17-Y348 PolarHBondContact OG1-OH 3.15Å
18	I	96.9	Very high	96.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-52.2	178.1	-66.1	-179	0	0	0	110.4	A20 E21 V22 L319 P341 C343 Y348 L351 I355	I18-A20 VanDerWaalsContact C-N 3.29Å; I18-A20 PolarHBondContact O-N 2.93Å; I18-E21 PolarHBondContact O-N 3.4Å; I18-E21 VanDerWaalsContact O-N 3.11Å; I18-V22 WeakPolarHBondContact O-CG2 3.01Å; I18-V22 PolarHBondContact O-N 3.35Å; I18-L319 HydrophobicContact CD1-CD2 3.41Å; I18-L319 VanDerWaalsContact CD1-CD2 3.41Å; I18-L319 HydrophobicContact CG2-CD2 4.2Å; I18-P341 VanDerWaalsContact CD1-O 3.23Å; I18-P341 WeakPolarHBondContact CD1-O 3.4Å; I18-C343 HydrophobicContact CD1-CB 3.96Å; I18-C343 HydrophobicContact CG1-CB 4.05Å; I18-Y348 HydrophobicContact CB-CE1 4.42Å; I18-Y348 HydrophobicContact CG1-CD1 4.35Å; I18-Y348 HydrophobicContact CG1-CE1 3.68Å; I18-L351 HydrophobicContact CD1-CD2 4.44Å; I18-I355 HydrophobicContact CG2-CD1 3.82Å
19	Y	97.8	Very high	96.3	Very high	13 Å²	13	42.5 Å²	42.5	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-76.9	-17.7	-176.2	-65.8	-62.8	0	0	0	113.1	S16 V22 S23 L46 N68 F317	S16-Y19 VanDerWaalsContact OG-CD2 3.26Å; S16-Y19 WeakPolarHBondContact OG-CD2 3.38Å; S16-Y19 PolarHBondContact OG-N 2.85Å; S16-Y19 VanDerWaalsContact OG-N 3.13Å; Y19-V22 HydrophobicContact CD1-CB 4.35Å; Y19-V22 HydrophobicContact CD1-CG2 4.24Å; Y19-S23 VanDerWaalsContact O-CB 3.25Å; Y19-S23 WeakPolarHBondContact O-CB 3.34Å; Y19-S23 PolarHBondContact O-N 2.9Å; Y19-L46 HydrophobicContact CD1-CD2 3.75Å; Y19-L46 HydrophobicContact CE1-CD2 4.33Å; Y19-L46 HydrophobicContact CG-CD2 4.3Å; Y19-N68 WeakPolarHBondContact CD2-ND2 3.46Å; Y19-N68 HydrophobicContact CE1-CB 3.83Å; Y19-N68 HydrophobicContact CE2-CB 4.31Å; Y19-N68 WeakPolarHBondContact CE2-ND2 3.38Å; Y19-N68 VanDerWaalsContact CZ-ND2 3.3Å; Y19-F317 HydrophobicContact CE1-CE2 4.05Å; Y19-F317 HydrophobicContact CE1-CZ 4.37Å
20	A	96.6	Very high	96	Very high	43 Å²	43	45.5 Å²	45.5	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-43.9	164	0	0	0	0	0	111.3	S16 I18 S23 K24	S16-A20 WeakPolarHBondContact O-CB 3.37Å; S16-A20 PolarHBondContact O-N 3.46Å; I18-A20 VanDerWaalsContact C-N 3.29Å; I18-A20 PolarHBondContact O-N 2.93Å; A20-S23 WeakPolarHBondContact O-CB 3.17Å; A20-S23 PolarHBondContact O-N 3.34Å; A20-K24 WeakPolarHBondContact O-CG 3.31Å; A20-K24 PolarHBondContact O-N 3.18Å; A20-K24 VanDerWaalsContact O-N 3.11Å
21	E	96.8	Very high	95.8	Very high	52 Å²	52	48.6 Å²	48.6	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-43.7	177.7	-165.3	58.4	-152.3	0	0	112.1	T17 I18 S23 K24 I25 Y348 C352	T17-E21 PolarHBondContact O-N 2.82Å; I18-E21 PolarHBondContact O-N 3.4Å; I18-E21 VanDerWaalsContact O-N 3.11Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 2.9Å; E21-K24 WeakPolarHBondContact O-CB 3.25Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE2-CD 3.46Å; E21-K24 IonicContact OE2-NZ 2.59Å; E21-K24 PolarHBondContact OE2-NZ 3.05Å; E21-I25 HydrophobicContact CG-CD1 4.33Å; E21-I25 WeakPolarHBondContact O-CG1 3.24Å; E21-I25 PolarHBondContact O-N 3.3Å; E21-Y348 HydrophobicContact CB-CD1 4.5Å; E21-C352 HydrophobicContact CB-CB 4.41Å; E21-C352 HydrophobicContact CG-CB 4.26Å
22	V	97.9	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-53.4	-45.4	170.3	170.4	0	0	0	0	110.8	I18 Y19 K24 I25 L26 C352 I355 I356 I360	I18-V22 WeakPolarHBondContact O-CG2 3.01Å; I18-V22 PolarHBondContact O-N 3.35Å; Y19-V22 HydrophobicContact CD1-CB 4.35Å; Y19-V22 HydrophobicContact CD1-CG2 4.24Å; V22-K24 VanDerWaalsContact C-N 3.31Å; V22-K24 PolarHBondContact O-N 3.35Å; V22-I25 PolarHBondContact O-N 3.2Å; V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.23Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.49Å; V22-C352 HydrophobicContact CG2-CB 3.88Å; V22-I355 HydrophobicContact CG2-CG2 4.37Å; V22-I356 HydrophobicContact CG1-CD1 4.19Å; V22-I356 HydrophobicContact CG1-CG1 3.92Å; V22-I360 HydrophobicContact CG1-CD1 3.78Å
23	S	97.8	Very high	95.8	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-37.7	176.6	176.1	0	0	0	0	113	F9 Y19 A20 E21 L27	F9-S23 VanDerWaalsContact CE2-OG 3.27Å; F9-S23 WeakPolarHBondContact CE2-OG 3.48Å; F9-S23 WeakPolarHBondContact CZ-OG 3.23Å; Y19-S23 VanDerWaalsContact O-CB 3.25Å; Y19-S23 WeakPolarHBondContact O-CB 3.34Å; Y19-S23 PolarHBondContact O-N 2.9Å; A20-S23 WeakPolarHBondContact O-CB 3.17Å; A20-S23 PolarHBondContact O-N 3.34Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 2.9Å; S23-L27 WeakPolarHBondContact O-CD1 3.5Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.39Å; S23-L27 PolarHBondContact O-N 3.3Å
24	K	97.3	Very high	95.9	Very high	126 Å²	126	56.3 Å²	56.3	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-45.3	177.6	-68.8	179.3	-155.2	154.9	0	111.1	A20 E21 V22 L27 S28	A20-K24 WeakPolarHBondContact O-CG 3.31Å; A20-K24 PolarHBondContact O-N 3.18Å; A20-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 WeakPolarHBondContact O-CB 3.25Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE2-CD 3.46Å; E21-K24 IonicContact OE2-NZ 2.59Å; E21-K24 PolarHBondContact OE2-NZ 3.05Å; V22-K24 VanDerWaalsContact C-N 3.31Å; V22-K24 PolarHBondContact O-N 3.35Å; K24-L27 PolarHBondContact O-N 3.06Å; K24-S28 PolarHBondContact O-N 3.14Å
25	I	96.1	Very high	96.2	Very high	23 Å²	23	52 Å²	52	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-43.5	179.1	-59.8	166.5	0	0	0	110.5	E21 V22 L27 S28 T29 C352 I356	E21-I25 HydrophobicContact CG-CD1 4.33Å; E21-I25 WeakPolarHBondContact O-CG1 3.24Å; E21-I25 PolarHBondContact O-N 3.3Å; V22-I25 PolarHBondContact O-N 3.2Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 2.71Å; I25-S28 PolarHBondContact O-N 3.5Å; I25-S28 PolarHBondContact O-OG 3.23Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 2.81Å; I25-C352 HydrophobicContact CD1-CB 3.84Å; I25-I356 HydrophobicContact CB-CD1 3.5Å; I25-I356 HydrophobicContact CD1-CD1 4.18Å; I25-I356 HydrophobicContact CG1-CD1 4.45Å; I25-I356 HydrophobicContact CG2-CD1 3.33Å
26	L	96.4	Very high	96.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-46.9	175.6	-70.9	174.3	0	0	0	111.4	F9 V22 S28 T29 W32 L44 I356 I360	F9-L26 HydrophobicContact CE1-CB 4.43Å; V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.23Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.49Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.04Å; L26-T29 WeakPolarHBondContact O-CB 2.98Å; L26-T29 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.17Å; L26-W32 HydrophobicContact CB-CB 4.05Å; L26-W32 HydrophobicContact CB-CG 4.01Å; L26-W32 HydrophobicContact CD2-CD2 4.03Å; L26-W32 HydrophobicContact CD2-CG 4.05Å; L26-W32 HydrophobicContact CD2-CZ2 4.36Å; L26-W32 WeakPolarHBondContact O-CB 3.44Å; L26-L44 HydrophobicContact CD1-CD2 3.69Å; L26-I356 HydrophobicContact CD2-CD1 4.24Å; L26-I356 HydrophobicContact CD2-CG1 4.15Å; L26-I356 HydrophobicContact CD2-CG2 4.18Å; L26-I356 HydrophobicContact CG-CD1 4.25Å; L26-I356 HydrophobicContact CG-CG1 4.45Å; L26-I360 HydrophobicContact CD1-CD1 4.38Å; L26-I360 HydrophobicContact CD2-CG2 4.24Å
27	L	96.9	Very high	96.4	Very high	78 Å²	78	60 Å²	60	41%	0.408	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-36.7	179	-71.7	168.9	0	0	0	112.9	F9 S23 K24 I25 T29 G30 R34	F9-L27 HydrophobicContact CE1-CD2 3.97Å; F9-L27 HydrophobicContact CE1-CG 4.12Å; F9-L27 HydrophobicContact CZ-CD1 4.41Å; F9-L27 HydrophobicContact CZ-CD2 4.29Å; F9-L27 HydrophobicContact CZ-CG 4.09Å; S23-L27 WeakPolarHBondContact O-CD1 3.5Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.39Å; S23-L27 PolarHBondContact O-N 3.3Å; K24-L27 PolarHBondContact O-N 3.06Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 2.71Å; L27-T29 PolarHBondContact O-N 3.27Å; L27-G30 PolarHBondContact O-N 3.38Å; L27-R34 HydrophobicContact CD2-CB 4.12Å
28	S	95.7	Very high	96.4	Very high	97 Å²	97	61.7 Å²	61.7	68%	0.678	32%	0.316	S	S	*	.	H	α-helix	trans	-68.6	-19.7	179.6	70.1	0	0	0	0	113.3	K24 I25 L26 G30	K24-S28 PolarHBondContact O-N 3.14Å; I25-S28 PolarHBondContact O-N 3.5Å; I25-S28 PolarHBondContact O-OG 3.23Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.04Å; S28-G30 PolarHBondContact O-N 3.19Å
29	T	92.7	Very high	96.4	Very high	47 Å²	47	64.4 Å²	64.4	29%	0.288	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.6	175.1	70.6	0	0	0	0	114.1	I25 L26 L27 H31	I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 2.81Å; L26-T29 WeakPolarHBondContact O-CB 2.98Å; L26-T29 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.17Å; L27-T29 PolarHBondContact O-N 3.27Å; T29-H31 PolarHBondContact O-CD2 2.53Å; T29-H31 VanDerWaalsContact O-CD2 3.31Å; T29-H31 PolarHBondContact O-N 3.39Å; T29-H31 VanDerWaalsContact O-N 3.15Å; T29-H31 PolarHBondContact OG1-N 3.32Å; T29-H31 VanDerWaalsContact OG1-N 3.16Å
30	G	92.8	Very high	96.4	Very high	62 Å²	62	67 Å²	67	64%	0.639	35%	0.349	S	S	*	.	S	Bend	trans	71.4	-5	-171.9	0	0	0	0	0	115.2	L27 S28	L27-G30 PolarHBondContact O-N 3.38Å; S28-G30 PolarHBondContact O-N 3.19Å
31	H	94	Very high	96.4	Very high	66 Å²	66	71.1 Å²	71.1	31%	0.306	36%	0.356	S	S	.	.	S	Bend	trans	-97.7	-5.9	179.3	-63.5	-57.9	0	0	0	113.7	Y7 T29 L366	Y7-H31 PolarHBondContact N-O 2.81Å; T29-H31 PolarHBondContact O-CD2 2.53Å; T29-H31 VanDerWaalsContact O-CD2 3.31Å; T29-H31 PolarHBondContact O-N 3.39Å; T29-H31 VanDerWaalsContact O-N 3.15Å; T29-H31 PolarHBondContact OG1-N 3.32Å; T29-H31 VanDerWaalsContact OG1-N 3.16Å; H31-L366 HydrophobicContact CB-CD2 3.57Å
32	W	97.1	Very high	96.4	Very high	10 Å²	10	69.6 Å²	69.6	4%	0.038	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.2	-178.9	-72	84.8	0	0	0	112.2	Y7 F9 L26 N43 L44 I360 F364	Y7-W32 HydrophobicContact CD2-CZ2 4.1Å; Y7-W32 HydrophobicContact CG-CH2 4.24Å; Y7-W32 HydrophobicContact CG-CZ2 4.07Å; Y7-W32 CarbonylContact O-C 3.56Å; Y7-W32 WeakPolarHBondContact O-CA 3.38Å; F9-W32 HydrophobicContact CB-CE3 4.07Å; F9-W32 HydrophobicContact CB-CZ3 4.07Å; F9-W32 HydrophobicContact CD1-CB 4.34Å; F9-W32 AromaticContact CD1-CE3 3.98Å; F9-W32 HydrophobicContact CD1-CE3 3.98Å; F9-W32 HydrophobicContact CE1-CB 4.41Å; F9-W32 HydrophobicContact CG-CE3 4.44Å; L26-W32 HydrophobicContact CB-CB 4.05Å; L26-W32 HydrophobicContact CB-CG 4.01Å; L26-W32 HydrophobicContact CD2-CD2 4.03Å; L26-W32 HydrophobicContact CD2-CG 4.05Å; L26-W32 HydrophobicContact CD2-CZ2 4.36Å; L26-W32 WeakPolarHBondContact O-CB 3.44Å; W32-N43 HydrophobicContact CZ3-CB 4.36Å; W32-L44 HydrophobicContact CH2-CB 3.96Å; W32-L44 HydrophobicContact CH2-CD2 4.28Å; W32-L44 HydrophobicContact CZ3-CB 3.68Å; W32-L44 HydrophobicContact CZ3-CD2 4.21Å; W32-I360 HydrophobicContact CH2-CG2 3.91Å; W32-I360 HydrophobicContact CZ2-CG2 3.57Å; W32-F364 HydrophobicContact CH2-CB 4.22Å; W32-F364 AromaticContact CH2-CD2 3.47Å; W32-F364 HydrophobicContact CH2-CD2 3.47Å; W32-F364 VanDerWaalsContact CH2-CD2 3.47Å; W32-F364 AromaticContact CH2-CE2 3.93Å; W32-F364 HydrophobicContact CH2-CE2 3.93Å; W32-F364 AromaticContact CH2-CG 3.88Å; W32-F364 HydrophobicContact CH2-CG 3.88Å; W32-F364 HydrophobicContact CZ2-CB 3.86Å; W32-F364 AromaticContact CZ2-CD2 3.81Å; W32-F364 HydrophobicContact CZ2-CD2 3.81Å; W32-F364 HydrophobicContact CZ2-CG 4.03Å
33	K	97.6	Very high	96.4	Very high	110 Å²	110	70.4 Å²	70.4	48%	0.478	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.3	173.8	-177.6	176.4	-179.4	175.9	0	111	M6 Y7 T8 F9 L35	M6-K33 HydrophobicContact CE-CD 4.48Å; M6-K33 HydrophobicContact CG-CB 4.28Å; M6-K33 HydrophobicContact SD-CB 4.1Å; M6-K33 HydrophobicContact SD-CD 4.18Å; Y7-K33 PolarHBondContact O-N 2.65Å; T8-K33 VanDerWaalsContact CA-O 3.3Å; T8-K33 WeakPolarHBondContact CA-O 3.5Å; T8-K33 HydrophobicContact CG2-CB 4.41Å; F9-K33 PolarHBondContact N-O 3.15Å; K33-L35 HydrophobicContact CD-CD2 4.44Å; K33-L35 HydrophobicContact CG-CD2 4.4Å
34	R	98.3	Very high	96.5	Very high	113 Å²	113	70.1 Å²	70.1	43%	0.426	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.7	170.5	-170.1	174	177.4	177.8	0.6	110	F9 D14 L27	F9-R34 HydrophobicContact CD1-CB 4.39Å; F9-R34 HydrophobicContact CE1-CB 3.72Å; F9-R34 HydrophobicContact CE1-CG 4.36Å; F9-R34 HydrophobicContact CE2-CB 4.2Å; F9-R34 HydrophobicContact CE2-CG 3.94Å; F9-R34 HydrophobicContact CZ-CB 3.61Å; F9-R34 HydrophobicContact CZ-CG 3.85Å; F9-R34 CarbonylContact O-C 3.52Å; F9-R34 WeakPolarHBondContact O-CA 3.38Å; D14-R34 IonicContact OD1-NH2 3.2Å; L27-R34 HydrophobicContact CD2-CB 4.12Å
35	L	98.4	Very high	96.6	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-97.6	169	174	-57.7	-177.9	0	0	0	111.2	T8 F9 V10 K33 N39 R41 F42	T8-L35 HydrophobicContact CG2-CD1 4.04Å; T8-L35 HydrophobicContact CG2-CD2 4.09Å; T8-L35 HydrophobicContact CG2-CG 4.15Å; F9-L35 PolarHBondContact O-N 2.88Å; V10-L35 HydrophobicContact CG1-CB 4Å; K33-L35 HydrophobicContact CD-CD2 4.44Å; K33-L35 HydrophobicContact CG-CD2 4.4Å; L35-N39 HydrophobicContact CB-CB 4.09Å; L35-N39 HydrophobicContact CD1-CB 4.31Å; L35-R41 WeakPolarHBondContact CD1-O 3.12Å; L35-F42 HydrophobicContact CD1-CB 4.43Å
36	K	97.5	Very high	96.7	Very high	180 Å²	180	63.2 Å²	63.2	78%	0.783	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-59.4	141.9	167.8	-66.8	-174.9	179.4	-178.4	0	109.5	V10 D38 N39	V10-K36 WeakPolarHBondContact CG1-O 3.26Å; K36-D38 PolarHBondContact O-N 2.5Å; K36-N39 WeakPolarHBondContact O-CB 3.37Å; K36-N39 PolarHBondContact O-N 2.82Å
37	R	95.7	Very high	96.7	Very high	125 Å²	125	63.2 Å²	63.2	47%	0.472	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-28.7	-172.8	63.5	174.4	-66.3	161.5	7.5	116.2	R12	R12-R37 HydrophobicContact CG-CB 4.36Å; R12-R37 PolarHBondContact NH1-O 3.23Å
38	D	94.8	Very high	96.6	Very high	113 Å²	113	61 Å²	61	60%	0.604	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	5.6	-176.7	-57.5	-48.5	0	0	0	113	R12 K36 P40	R12-D38 IonicContact CZ-OD1 2.91Å; R12-D38 IonicContact NH1-OD1 3.12Å; R12-D38 PolarHBondContact NH1-OD1 3.1Å; K36-D38 PolarHBondContact O-N 2.5Å; D38-P40 WeakPolarHBondContact O-CD 3.36Å
39	N	97.2	Very high	96.5	Very high	59 Å²	59	62 Å²	62	32%	0.316	30%	0.296	S	S	.	.			trans	-66.8	123	171.3	-173.6	-33.5	0	0	0	108.3	L35 K36 R41 F42	L35-N39 HydrophobicContact CB-CB 4.09Å; L35-N39 HydrophobicContact CD1-CB 4.31Å; K36-N39 WeakPolarHBondContact O-CB 3.37Å; K36-N39 PolarHBondContact O-N 2.82Å; N39-R41 PolarHBondContact OD1-N 2.9Å; N39-F42 VanDerWaalsContact O-CD1 3.25Å; N39-F42 WeakPolarHBondContact O-CD1 3.36Å
40	P	95.9	Very high	96.5	Very high	67 Å²	67	64.8 Å²	64.8	44%	0.435	31%	0.31	S	S	.	.	S	Bend	trans	-80.1	-20.4	-176.2	32.1	-35.8	0	0	0	113.6	D38 F42 Q65	D38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-F42 VanDerWaalsContact C-N 3.3Å; P40-F42 WeakPolarHBondContact O-CD1 3.15Å; P40-F42 PolarHBondContact O-N 3.45Å; P40-Q65 PolarHBondContact O-NE2 3.46Å
41	R	97.1	Very high	96.4	Very high	130 Å²	130	73.6 Å²	73.6	49%	0.491	32%	0.323	S	S	.	.			trans	-85.6	65.6	-176.7	-64.1	-168.5	77	87	-3.9	111.7	T8 L35 N39 E60 P61 L63	T8-R41 PolarHBondContact OG1-O 2.94Å; L35-R41 WeakPolarHBondContact CD1-O 3.12Å; N39-R41 PolarHBondContact OD1-N 2.9Å; R41-E60 WeakPolarHBondContact CG-OE2 3.32Å; R41-E60 IonicContact CZ-OE2 2.96Å; R41-E60 IonicContact NH1-OE2 2.84Å; R41-E60 PolarHBondContact NH1-OE2 3.04Å; R41-E60 VanDerWaalsContact NH1-OE2 3.12Å; R41-P61 PolarHBondContact NH2-O 3.45Å; R41-L63 HydrophobicContact CB-CD1 3.83Å; R41-L63 HydrophobicContact CG-CD1 4.33Å
42	F	97.8	Very high	96.5	Very high	19 Å²	19	71.2 Å²	71.2	8%	0.083	31%	0.313	C	S	.	.			trans	-114.5	157.4	174.8	58.7	-97.8	0	0	0	112.3	T8 V10 L35 N39 P40 M45 L57 Q65	T8-F42 WeakPolarHBondContact OG1-CA 3.19Å; V10-F42 HydrophobicContact CB-CD1 4.49Å; V10-F42 HydrophobicContact CG1-CB 4.11Å; V10-F42 HydrophobicContact CG1-CD1 3.97Å; V10-F42 HydrophobicContact CG1-CG 4.29Å; V10-F42 HydrophobicContact CG2-CB 4.38Å; V10-F42 HydrophobicContact CG2-CD1 3.68Å; V10-F42 HydrophobicContact CG2-CD2 4.32Å; V10-F42 HydrophobicContact CG2-CE1 3.99Å; V10-F42 HydrophobicContact CG2-CG 3.86Å; V10-F42 HydrophobicContact CG2-CZ 4.45Å; L35-F42 HydrophobicContact CD1-CB 4.43Å; N39-F42 VanDerWaalsContact O-CD1 3.25Å; N39-F42 WeakPolarHBondContact O-CD1 3.36Å; P40-F42 VanDerWaalsContact C-N 3.3Å; P40-F42 WeakPolarHBondContact O-CD1 3.15Å; P40-F42 PolarHBondContact O-N 3.45Å; F42-M45 HydrophobicContact CD2-CB 4.13Å; F42-M45 HydrophobicContact CE2-CB 3.6Å; F42-M45 HydrophobicContact CE2-CG 4.49Å; F42-M45 HydrophobicContact CZ-CB 4.03Å; F42-M45 HydrophobicContact CZ-CG 4.46Å; F42-M45 HydrophobicContact CZ-SD 4.2Å; F42-L57 HydrophobicContact CE2-CD2 3.97Å; F42-L57 HydrophobicContact CZ-CD2 3.62Å; F42-Q65 HydrophobicContact CE2-CG 4.47Å; F42-Q65 WeakPolarHBondContact O-CG 3.42Å; F42-Q65 PolarHBondContact O-NE2 2.78Å; F42-Q65 VanDerWaalsContact O-NE2 3.16Å
43	N	98.4	Very high	96.4	Very high	17 Å²	17	72.4 Å²	72.4	9%	0.091	32%	0.322	C	S	.	.	S	Bend	trans	-88.3	-43.7	167.4	-59.2	101.3	0	0	0	111.9	T8 W32 V64 Q65 L66 F364	T8-N43 PolarHBondContact N-OD1 3.08Å; T8-N43 WeakPolarHBondContact O-CA 3.26Å; T8-N43 VanDerWaalsContact O-CB 3.31Å; T8-N43 WeakPolarHBondContact O-CB 3.27Å; T8-N43 PolarHBondContact O-N 2.88Å; T8-N43 PolarHBondContact OG1-N 3.05Å; T8-N43 PolarHBondContact OG1-OD1 3.11Å; W32-N43 HydrophobicContact CZ3-CB 4.36Å; N43-V64 WeakPolarHBondContact CA-O 3.23Å; N43-Q65 CarbonylContact O-C 3.52Å; N43-Q65 VanDerWaalsContact O-CA 3.31Å; N43-Q65 WeakPolarHBondContact O-CA 3.2Å; N43-L66 PolarHBondContact O-N 2.73Å; N43-F364 HydrophobicContact CB-CD1 4.34Å; N43-F364 HydrophobicContact CB-CE1 3.72Å; N43-F364 HydrophobicContact CB-CE2 4.49Å; N43-F364 HydrophobicContact CB-CZ 3.8Å; N43-F364 WeakPolarHBondContact O-CZ 3.39Å
44	L	98.7	Very high	96.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.4	-177.2	172.4	65.9	0	0	0	111.6	T8 F9 V10 L26 W32 L46 L66 F317 I360 F364	T8-L44 PolarHBondContact O-N 3.45Å; F9-L44 CarbonylContact C-O 3.54Å; F9-L44 WeakPolarHBondContact CA-O 3.41Å; F9-L44 HydrophobicContact CB-CB 3.76Å; F9-L44 HydrophobicContact CB-CD2 4.23Å; F9-L44 HydrophobicContact CB-CG 4.16Å; F9-L44 VanDerWaalsContact CB-O 3.3Å; F9-L44 WeakPolarHBondContact CB-O 3.31Å; V10-L44 PolarHBondContact N-O 3.39Å; L26-L44 HydrophobicContact CD1-CD2 3.69Å; W32-L44 HydrophobicContact CH2-CB 3.96Å; W32-L44 HydrophobicContact CH2-CD2 4.28Å; W32-L44 HydrophobicContact CZ3-CB 3.68Å; W32-L44 HydrophobicContact CZ3-CD2 4.21Å; L44-L46 HydrophobicContact CD1-CD2 4.23Å; L44-L46 HydrophobicContact CD2-CD2 4.05Å; L44-L46 HydrophobicContact CD2-CG 4.44Å; L44-L46 HydrophobicContact CG-CD2 4.14Å; L44-L46 HydrophobicContact CG-CG 4.44Å; L44-L66 CarbonylContact C-O 3.58Å; L44-L66 WeakPolarHBondContact CA-O 3.34Å; L44-L66 HydrophobicContact CD1-CB 4.27Å; L44-L66 HydrophobicContact CD1-CD2 4.14Å; L44-L66 HydrophobicContact CD1-CG 4.19Å; L44-F317 HydrophobicContact CD1-CE1 3.77Å; L44-F317 HydrophobicContact CD1-CZ 4.27Å; L44-I360 HydrophobicContact CD2-CD1 3.84Å; L44-I360 HydrophobicContact CD2-CG1 4.33Å; L44-I360 HydrophobicContact CD2-CG2 4.13Å; L44-F364 HydrophobicContact CB-CE2 4.45Å
45	M	98.8	Very high	96.3	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.1	169.5	-177.7	-179.1	-175.6	0	0	110.1	V10 F42 G47 E48 L52 P53 L57 L66 V67 N68	V10-M45 HydrophobicContact CG2-CB 4.1Å; V10-M45 HydrophobicContact CG2-CG 3.99Å; F42-M45 HydrophobicContact CD2-CB 4.13Å; F42-M45 HydrophobicContact CE2-CB 3.6Å; F42-M45 HydrophobicContact CE2-CG 4.49Å; F42-M45 HydrophobicContact CZ-CB 4.03Å; F42-M45 HydrophobicContact CZ-CG 4.46Å; F42-M45 HydrophobicContact CZ-SD 4.2Å; M45-G47 PolarHBondContact O-N 3.23Å; M45-E48 VanDerWaalsContact CE-OE2 3.32Å; M45-E48 WeakPolarHBondContact CE-OE2 3.41Å; M45-L52 HydrophobicContact CE-CD1 4.41Å; M45-L52 HydrophobicContact CE-CD2 3.9Å; M45-L52 HydrophobicContact CE-CG 3.8Å; M45-L52 HydrophobicContact SD-CD2 4.04Å; M45-L52 HydrophobicContact SD-CG 4.42Å; M45-P53 HydrophobicContact CE-CG 4.16Å; M45-L57 HydrophobicContact SD-CD2 3.89Å; M45-L66 PolarHBondContact N-O 3.03Å; M45-V67 HydrophobicContact CB-CB 4.32Å; M45-V67 HydrophobicContact CB-CG2 4.11Å; M45-V67 HydrophobicContact CG-CG2 4.2Å; M45-V67 WeakPolarHBondContact O-CA 3.39Å; M45-V67 HydrophobicContact SD-CG2 4.11Å; M45-N68 PolarHBondContact O-N 3.26Å; M45-N68 PolarHBondContact O-OD1 3.4Å
46	L	98.6	Very high	96.1	Very high	2 Å²	2	74 Å²	74	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	86.7	162.6	-54.2	178.5	0	0	0	107	F9 V10 S11 R12 Y19 L44 N68	F9-L46 HydrophobicContact CD2-CD1 4.03Å; F9-L46 HydrophobicContact CD2-CG 4.45Å; F9-L46 HydrophobicContact CE2-CD1 4.14Å; V10-L46 PolarHBondContact O-N 3.03Å; S11-L46 WeakPolarHBondContact CA-O 3.39Å; R12-L46 PolarHBondContact N-O 3.07Å; Y19-L46 HydrophobicContact CD1-CD2 3.75Å; Y19-L46 HydrophobicContact CE1-CD2 4.33Å; Y19-L46 HydrophobicContact CG-CD2 4.3Å; L44-L46 HydrophobicContact CD1-CD2 4.23Å; L44-L46 HydrophobicContact CD2-CD2 4.05Å; L44-L46 HydrophobicContact CD2-CG 4.44Å; L44-L46 HydrophobicContact CG-CD2 4.14Å; L44-L46 HydrophobicContact CG-CG 4.44Å; L46-N68 HydrophobicContact CD2-CB 4.23Å
47	G	97.2	Very high	96.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.306	C	S	.	.			trans	-80.9	164.5	-163.3	0	0	0	0	0	115.6	D13 M45 N68	D13-G47 WeakPolarHBondContact CB-O 3.4Å; M45-G47 PolarHBondContact O-N 3.23Å; G47-N68 PolarHBondContact N-OD1 3.21Å
48	E	95.5	Very high	96.1	Very high	31 Å²	31	60.5 Å²	60.5	15%	0.145	29%	0.292	C	S	.	.			trans	-68.1	145	173.7	58.2	-89.4	-142.9	0	0	112.8	R12 M45 N50 L52 P53	R12-E48 VanDerWaalsContact CB-OE2 3.23Å; R12-E48 WeakPolarHBondContact CB-OE2 3.48Å; R12-E48 WeakPolarHBondContact CD-OE2 3.22Å; R12-E48 IonicContact CZ-OE1 3.52Å; R12-E48 IonicContact CZ-OE2 2.73Å; R12-E48 IonicContact NE-OE1 2.65Å; R12-E48 PolarHBondContact NE-OE1 3.02Å; R12-E48 IonicContact NE-OE2 3.98Å; R12-E48 PolarHBondContact NE-OE2 3.29Å; R12-E48 IonicContact NH2-OE1 3.16Å; R12-E48 PolarHBondContact NH2-OE1 2.95Å; R12-E48 IonicContact NH2-OE2 3.73Å; M45-E48 VanDerWaalsContact CE-OE2 3.32Å; M45-E48 WeakPolarHBondContact CE-OE2 3.41Å; E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 VanDerWaalsContact CG-O 3.32Å; E48-N50 WeakPolarHBondContact CG-O 3.24Å; E48-N50 PolarHBondContact O-N 3.14Å; E48-L52 HydrophobicContact CG-CB 4.36Å; E48-P53 WeakPolarHBondContact OE1-CD 3.32Å
49	R	93.6	Very high	96.2	Very high	117 Å²	117	61.1 Å²	61.1	44%	0.442	29%	0.291	S	S	.	.	S	Bend	trans	-64.4	-28.6	-178.3	-60.1	-177.7	-169.7	170.7	4.6	114.3	D13 N15 A340	D13-R49 IonicContact OD1-NE 3.85Å; D13-R49 IonicContact OD1-NH2 3.52Å; D13-R49 WeakPolarHBondContact OD2-CG 3.4Å; D13-R49 IonicContact OD2-CZ 3.87Å; D13-R49 IonicContact OD2-NE 3.66Å; D13-R49 PolarHBondContact OD2-NE 3.3Å; D13-R49 IonicContact OD2-NH2 3.94Å; D13-R49 PolarHBondContact OD2-NH2 3.16Å; N15-R49 PolarHBondContact O-NH2 3.01Å; R49-A340 HydrophobicContact CG-CB 4.36Å
50	N	91.2	Very high	96.1	Very high	107 Å²	107	60.7 Å²	60.7	57%	0.572	29%	0.287	S	S	*	.	S	Bend	trans	-125.5	137.5	-173.8	-62.9	-58.5	0	0	0	109.7	E48 L52	E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 VanDerWaalsContact CG-O 3.32Å; E48-N50 WeakPolarHBondContact CG-O 3.24Å; E48-N50 PolarHBondContact O-N 3.14Å; N50-L52 PolarHBondContact O-N 3.19Å
51	R	92	Very high	96	Very high	246 Å²	246	62.4 Å²	62.4	93%	0.928	30%	0.298	S	S	*	.	S	Bend	trans	55.4	35.2	175.6	-56.4	-176.9	177.8	-178.4	-0.3	114.1
52	L	95.1	Very high	95.8	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.089	32%	0.317	C	S	.	.			trans	-54.4	126.2	172.4	-165.8	161.6	0	0	0	109.7	M45 E48 N50 F54 L57 V67 Y69	M45-L52 HydrophobicContact CE-CD1 4.41Å; M45-L52 HydrophobicContact CE-CD2 3.9Å; M45-L52 HydrophobicContact CE-CG 3.8Å; M45-L52 HydrophobicContact SD-CD2 4.04Å; M45-L52 HydrophobicContact SD-CG 4.42Å; E48-L52 HydrophobicContact CG-CB 4.36Å; N50-L52 PolarHBondContact O-N 3.19Å; L52-F54 HydrophobicContact CB-CD2 4.19Å; L52-F54 HydrophobicContact CB-CE2 3.83Å; L52-F54 HydrophobicContact CB-CZ 4.33Å; L52-F54 HydrophobicContact CD1-CE2 4.45Å; L52-F54 HydrophobicContact CD1-CZ 4.11Å; L52-F54 HydrophobicContact CD2-CD1 3.85Å; L52-F54 HydrophobicContact CD2-CD2 3.89Å; L52-F54 HydrophobicContact CD2-CE1 3.9Å; L52-F54 HydrophobicContact CD2-CE2 3.95Å; L52-F54 HydrophobicContact CD2-CG 3.84Å; L52-F54 HydrophobicContact CD2-CZ 3.95Å; L52-F54 HydrophobicContact CG-CE2 4.29Å; L52-F54 HydrophobicContact CG-CZ 4.36Å; L52-F54 VanDerWaalsContact O-CD2 3.3Å; L52-F54 WeakPolarHBondContact O-CD2 3.37Å; L52-F54 PolarHBondContact O-N 2.71Å; L52-L57 HydrophobicContact CD2-CD1 4.31Å; L52-V67 HydrophobicContact CD1-CG2 3.74Å; L52-V67 HydrophobicContact CD2-CG2 4.15Å; L52-Y69 HydrophobicContact CD1-CD2 3.85Å; L52-Y69 HydrophobicContact CD1-CG 4.32Å
53	P	95.4	Very high	95.7	Very high	35 Å²	35	61.4 Å²	61.4	23%	0.227	32%	0.323	C	S	.	.			trans	-77	61.1	-174.5	33.2	-40.2	0	0	0	113	M45 E48 G55 R56	M45-P53 HydrophobicContact CE-CG 4.16Å; E48-P53 WeakPolarHBondContact OE1-CD 3.32Å; P53-G55 PolarHBondContact O-N 3.15Å; P53-R56 HydrophobicContact CB-CG 4.18Å; P53-R56 PolarHBondContact O-N 3.23Å
54	F	97.1	Very high	95.6	Very high	26 Å²	26	64.6 Å²	64.6	11%	0.114	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.9	179.8	-72	-79.4	0	0	0	113.7	L52 R56 L57 V67 Y69 R71 Y314	L52-F54 HydrophobicContact CB-CD2 4.19Å; L52-F54 HydrophobicContact CB-CE2 3.83Å; L52-F54 HydrophobicContact CB-CZ 4.33Å; L52-F54 HydrophobicContact CD1-CE2 4.45Å; L52-F54 HydrophobicContact CD1-CZ 4.11Å; L52-F54 HydrophobicContact CD2-CD1 3.85Å; L52-F54 HydrophobicContact CD2-CD2 3.89Å; L52-F54 HydrophobicContact CD2-CE1 3.9Å; L52-F54 HydrophobicContact CD2-CE2 3.95Å; L52-F54 HydrophobicContact CD2-CG 3.84Å; L52-F54 HydrophobicContact CD2-CZ 3.95Å; L52-F54 HydrophobicContact CG-CE2 4.29Å; L52-F54 HydrophobicContact CG-CZ 4.36Å; L52-F54 VanDerWaalsContact O-CD2 3.3Å; L52-F54 WeakPolarHBondContact O-CD2 3.37Å; L52-F54 PolarHBondContact O-N 2.71Å; F54-R56 PolarHBondContact O-N 3.38Å; F54-R56 VanDerWaalsContact O-N 3.12Å; F54-L57 HydrophobicContact CD1-CD1 4.05Å; F54-L57 WeakPolarHBondContact O-CB 3.19Å; F54-L57 PolarHBondContact O-N 2.98Å; F54-L57 VanDerWaalsContact O-N 3.09Å; F54-V67 HydrophobicContact CD1-CG1 4.42Å; F54-V67 HydrophobicContact CE1-CG1 4.03Å; F54-Y69 WeakPolarHBondContact CE1-O 3.4Å; F54-R71 HydrophobicContact CB-CG 4.38Å; F54-R71 HydrophobicContact CD1-CB 3.81Å; F54-R71 HydrophobicContact CD1-CG 4.41Å; F54-R71 HydrophobicContact CD2-CB 3.86Å; F54-R71 HydrophobicContact CD2-CG 3.67Å; F54-R71 HydrophobicContact CE1-CB 3.81Å; F54-R71 HydrophobicContact CE2-CB 3.85Å; F54-R71 HydrophobicContact CE2-CG 3.96Å; F54-R71 HydrophobicContact CG-CB 3.83Å; F54-R71 HydrophobicContact CG-CG 3.91Å; F54-R71 HydrophobicContact CZ-CB 3.83Å; F54-R71 HydrophobicContact CZ-CG 4.45Å; F54-Y314 AromaticContact CD1-CE2 3.97Å; F54-Y314 HydrophobicContact CD1-CE2 3.97Å
55	G	96.1	Very high	95.6	Very high	58 Å²	58	64.8 Å²	64.8	60%	0.598	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-68.5	-3.7	178.8	0	0	0	0	0	115.2	P53	P53-G55 PolarHBondContact O-N 3.15Å
56	R	95.6	Very high	95.6	Very high	201 Å²	201	64.8 Å²	64.8	76%	0.758	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-99.6	-5.4	172.6	-59.2	-173.4	-171.4	-178.8	2	112.8	P53 F54	P53-R56 HydrophobicContact CB-CG 4.18Å; P53-R56 PolarHBondContact O-N 3.23Å; F54-R56 PolarHBondContact O-N 3.38Å; F54-R56 VanDerWaalsContact O-N 3.12Å
57	L	97.2	Very high	95.6	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.026	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	146.8	-176.9	-56.6	178.8	0	0	0	111.5	F42 M45 L52 F54 H59 V67 Y314	F42-L57 HydrophobicContact CE2-CD2 3.97Å; F42-L57 HydrophobicContact CZ-CD2 3.62Å; M45-L57 HydrophobicContact SD-CD2 3.89Å; L52-L57 HydrophobicContact CD2-CD1 4.31Å; F54-L57 HydrophobicContact CD1-CD1 4.05Å; F54-L57 WeakPolarHBondContact O-CB 3.19Å; F54-L57 PolarHBondContact O-N 2.98Å; F54-L57 VanDerWaalsContact O-N 3.09Å; L57-H59 PolarHBondContact O-CD2 3.43Å; L57-H59 VanDerWaalsContact O-CD2 3.23Å; L57-V67 HydrophobicContact CD1-CB 3.91Å; L57-V67 HydrophobicContact CD1-CG1 3.71Å; L57-V67 HydrophobicContact CD1-CG2 4.29Å; L57-Y314 HydrophobicContact CB-CD1 3.78Å; L57-Y314 HydrophobicContact CB-CD2 4.14Å; L57-Y314 HydrophobicContact CB-CE1 4.43Å; L57-Y314 HydrophobicContact CB-CG 3.62Å; L57-Y314 HydrophobicContact CD1-CD2 3.88Å; L57-Y314 HydrophobicContact CD1-CE2 4.11Å; L57-Y314 HydrophobicContact CD1-CG 4.25Å
58	G	95.3	Very high	95.6	Very high	18 Å²	18	64.7 Å²	64.7	19%	0.186	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	17.5	175.8	0	0	0	0	0	114.5	S313	G58-S313 WeakPolarHBondContact CA-O 3.21Å; G58-S313 WeakPolarHBondContact O-CB 3.38Å
59	H	96.3	Very high	95.8	Very high	126 Å²	126	64.3 Å²	64.3	58%	0.583	34%	0.341	S	S	*	.			trans	-111.7	0.6	-178.8	-64.1	-68.6	0	0	0	113.7	L57 P61	L57-H59 PolarHBondContact O-CD2 3.43Å; L57-H59 VanDerWaalsContact O-CD2 3.23Å; H59-P61 WeakPolarHBondContact O-CD 3.32Å
60	E	96.1	Very high	96	Very high	50 Å²	50	59 Å²	59	23%	0.234	32%	0.321	C	S	.	.	S	Bend	trans	-88.4	114.9	178.5	-73.1	-62.2	145.1	0	0	111.6	R41 G62 L63	R41-E60 WeakPolarHBondContact CG-OE2 3.32Å; R41-E60 IonicContact CZ-OE2 2.96Å; R41-E60 IonicContact NH1-OE2 2.84Å; R41-E60 PolarHBondContact NH1-OE2 3.04Å; R41-E60 VanDerWaalsContact NH1-OE2 3.12Å; E60-G62 PolarHBondContact O-N 2.83Å; E60-L63 HydrophobicContact CB-CB 4.1Å; E60-L63 HydrophobicContact CB-CD1 4.03Å; E60-L63 PolarHBondContact O-N 2.85Å
61	P	94.3	Very high	96.4	Very high	102 Å²	102	60.9 Å²	60.9	66%	0.662	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	130.6	-178.7	-24.1	34.9	0	0	0	112.4	R41 H59 L63	R41-P61 PolarHBondContact NH2-O 3.45Å; H59-P61 WeakPolarHBondContact O-CD 3.32Å; P61-L63 VanDerWaalsContact C-N 3.32Å
62	G	92.3	Very high	96.6	Very high	86 Å²	86	50.1 Å²	50.1	89%	0.887	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	9.8	178.1	0	0	0	0	0	115	E60	E60-G62 PolarHBondContact O-N 2.83Å
63	L	94.8	Very high	96.7	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.22	28%	0.282	C	S	.	.			trans	-121.3	121.6	178.7	-71.4	176.7	0	0	0	111.6	R41 E60 P61	R41-L63 HydrophobicContact CB-CD1 3.83Å; R41-L63 HydrophobicContact CG-CD1 4.33Å; E60-L63 HydrophobicContact CB-CB 4.1Å; E60-L63 HydrophobicContact CB-CD1 4.03Å; E60-L63 PolarHBondContact O-N 2.85Å; P61-L63 VanDerWaalsContact C-N 3.32Å
64	V	96.2	Very high	96.7	Very high	85 Å²	85	51.9 Å²	51.9	52%	0.515	29%	0.293	S	S	.	.			trans	-74	124.4	162.5	176.8	0	0	0	0	107.9	N43 V363 F364	N43-V64 WeakPolarHBondContact CA-O 3.23Å; V64-V363 HydrophobicContact CG1-CG1 3.8Å; V64-F364 HydrophobicContact CB-CE1 4.15Å; V64-F364 HydrophobicContact CG1-CE1 4.05Å; V64-F364 HydrophobicContact CG1-CZ 4.41Å
65	Q	98.2	Very high	96.6	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.019	31%	0.309	C	S	.	.			trans	-111.7	127.9	179.3	-61.8	-162.4	-55.4	0	0	111.8	P40 F42 N43 Y314 Q315	P40-Q65 PolarHBondContact O-NE2 3.46Å; F42-Q65 HydrophobicContact CE2-CG 4.47Å; F42-Q65 WeakPolarHBondContact O-CG 3.42Å; F42-Q65 PolarHBondContact O-NE2 2.78Å; F42-Q65 VanDerWaalsContact O-NE2 3.16Å; N43-Q65 CarbonylContact O-C 3.52Å; N43-Q65 VanDerWaalsContact O-CA 3.31Å; N43-Q65 WeakPolarHBondContact O-CA 3.2Å; Q65-Y314 WeakPolarHBondContact O-CA 3.44Å; Q65-Q315 PolarHBondContact O-N 3.24Å
66	L	98.8	Very high	96.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.1	176.7	-175.6	66.4	0	0	0	109.8	N43 L44 M45 H214 Q315 F317 A359 V363 F364	N43-L66 PolarHBondContact O-N 2.73Å; L44-L66 CarbonylContact C-O 3.58Å; L44-L66 WeakPolarHBondContact CA-O 3.34Å; L44-L66 HydrophobicContact CD1-CB 4.27Å; L44-L66 HydrophobicContact CD1-CD2 4.14Å; L44-L66 HydrophobicContact CD1-CG 4.19Å; M45-L66 PolarHBondContact N-O 3.03Å; L66-H214 HydrophobicContact CD1-CB 4.3Å; L66-Q315 WeakPolarHBondContact CA-O 3.22Å; L66-Q315 HydrophobicContact CD1-CB 3.65Å; L66-F317 HydrophobicContact CD1-CD1 3.81Å; L66-F317 HydrophobicContact CD1-CE1 4.48Å; L66-F317 HydrophobicContact CD2-CD1 3.66Å; L66-F317 HydrophobicContact CD2-CE1 3.67Å; L66-F317 HydrophobicContact CG-CD1 3.63Å; L66-F317 HydrophobicContact CG-CE1 3.8Å; L66-A359 WeakPolarHBondContact CD2-O 3.18Å; L66-V363 HydrophobicContact CD1-CG2 4.2Å; L66-V363 HydrophobicContact CD2-CB 4.31Å; L66-V363 HydrophobicContact CD2-CG2 3.95Å; L66-F364 HydrophobicContact CB-CE2 3.68Å; L66-F364 HydrophobicContact CB-CZ 3.78Å; L66-F364 HydrophobicContact CD2-CD2 4.42Å; L66-F364 HydrophobicContact CD2-CE2 3.74Å; L66-F364 HydrophobicContact CG-CE2 4.37Å
67	V	98.8	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.9	175.9	63.1	0	0	0	0	111.5	M45 L52 F54 L57 Y69 Y314 Q315 S316 F317	M45-V67 HydrophobicContact CB-CB 4.32Å; M45-V67 HydrophobicContact CB-CG2 4.11Å; M45-V67 HydrophobicContact CG-CG2 4.2Å; M45-V67 WeakPolarHBondContact O-CA 3.39Å; M45-V67 HydrophobicContact SD-CG2 4.11Å; L52-V67 HydrophobicContact CD1-CG2 3.74Å; L52-V67 HydrophobicContact CD2-CG2 4.15Å; F54-V67 HydrophobicContact CD1-CG1 4.42Å; F54-V67 HydrophobicContact CE1-CG1 4.03Å; L57-V67 HydrophobicContact CD1-CB 3.91Å; L57-V67 HydrophobicContact CD1-CG1 3.71Å; L57-V67 HydrophobicContact CD1-CG2 4.29Å; V67-Y69 PolarHBondContact O-N 2.99Å; V67-Y314 HydrophobicContact CG1-CD2 4.02Å; V67-Y314 HydrophobicContact CG1-CE2 4.11Å; V67-Q315 PolarHBondContact N-O 2.9Å; V67-S316 WeakPolarHBondContact CG1-OG 3.37Å; V67-S316 CarbonylContact O-C 3.58Å; V67-S316 VanDerWaalsContact O-CA 3.29Å; V67-S316 WeakPolarHBondContact O-CA 3.45Å; V67-F317 WeakPolarHBondContact O-CD1 3.4Å; V67-F317 PolarHBondContact O-N 3.06Å
68	N	98.7	Very high	96.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-83.9	23.2	-175.7	71	-31.3	0	0	0	115	Y19 M45 L46 G47 F317	Y19-N68 WeakPolarHBondContact CD2-ND2 3.46Å; Y19-N68 HydrophobicContact CE1-CB 3.83Å; Y19-N68 HydrophobicContact CE2-CB 4.31Å; Y19-N68 WeakPolarHBondContact CE2-ND2 3.38Å; Y19-N68 VanDerWaalsContact CZ-ND2 3.3Å; M45-N68 PolarHBondContact O-N 3.26Å; M45-N68 PolarHBondContact O-OD1 3.4Å; L46-N68 HydrophobicContact CD2-CB 4.23Å; G47-N68 PolarHBondContact N-OD1 3.21Å; N68-F317 CarbonylContact C-O 3.54Å; N68-F317 WeakPolarHBondContact CA-O 3.38Å; N68-F317 HydrophobicContact CB-CD2 4.48Å; N68-F317 HydrophobicContact CB-CE1 3.89Å; N68-F317 HydrophobicContact CB-CE2 3.77Å; N68-F317 HydrophobicContact CB-CZ 3.44Å; N68-F317 VanDerWaalsContact CB-CZ 3.44Å
69	Y	98.8	Very high	96.5	Very high	22 Å²	22	50.5 Å²	50.5	9%	0.086	27%	0.271	C	S	.	.	S	Bend	trans	-142.7	141.9	174.6	-79	-81	0	0	0	111.1	L52 F54 V67 S316 F317 Q318 G339 A340	L52-Y69 HydrophobicContact CD1-CD2 3.85Å; L52-Y69 HydrophobicContact CD1-CG 4.32Å; F54-Y69 WeakPolarHBondContact CE1-O 3.4Å; V67-Y69 PolarHBondContact O-N 2.99Å; Y69-S316 WeakPolarHBondContact O-CB 3.47Å; Y69-S316 PolarHBondContact O-OG 3.46Å; Y69-F317 PolarHBondContact N-O 3.2Å; Y69-Q318 HydrophobicContact CD1-CG 4.24Å; Y69-G339 VanDerWaalsContact CE1-O 3.3Å; Y69-G339 WeakPolarHBondContact CE1-O 3.25Å; Y69-A340 WeakPolarHBondContact OH-CB 3.32Å
70	Y	98.8	Very high	96.4	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	25%	0.249	C	C	.	.			trans	-85.7	126.5	164.7	-83.8	-79	0	0	0	111.2	G72 A73 V212 D213 Y216 I307 T309 S316 Q318	Y70-G72 PolarHBondContact O-N 3.13Å; Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 2.87Å; Y70-V212 HydrophobicContact CE2-CB 3.94Å; Y70-V212 HydrophobicContact CE2-CG1 3.67Å; Y70-D213 PolarHBondContact OH-O 2.96Å; Y70-Y216 HydrophobicContact CE1-CD2 4.08Å; Y70-Y216 HydrophobicContact CE1-CE2 4.1Å; Y70-Y216 AromaticContact CZ-CD2 3.89Å; Y70-I307 HydrophobicContact CD1-CB 4.37Å; Y70-I307 HydrophobicContact CD1-CD1 3.92Å; Y70-I307 HydrophobicContact CD1-CG1 4.33Å; Y70-I307 VanDerWaalsContact CD1-O 3.23Å; Y70-I307 WeakPolarHBondContact CD1-O 3.16Å; Y70-I307 HydrophobicContact CD2-CD1 4.3Å; Y70-I307 HydrophobicContact CG-CD1 3.71Å; Y70-T309 HydrophobicContact CD1-CG2 4.17Å; Y70-T309 HydrophobicContact CE1-CG2 3.99Å; Y70-S316 PolarHBondContact OH-O 2.82Å; Y70-Q318 HydrophobicContact CD2-CB 3.71Å; Y70-Q318 HydrophobicContact CE2-CB 4.42Å
71	R	98.4	Very high	96.3	Very high	148 Å²	148	44.9 Å²	44.9	56%	0.558	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	123.6	172	-170.2	-178.9	-175.5	-178.2	-2.4	109.7	F54 I307	F54-R71 HydrophobicContact CB-CG 4.38Å; F54-R71 HydrophobicContact CD1-CB 3.81Å; F54-R71 HydrophobicContact CD1-CG 4.41Å; F54-R71 HydrophobicContact CD2-CB 3.86Å; F54-R71 HydrophobicContact CD2-CG 3.67Å; F54-R71 HydrophobicContact CE1-CB 3.81Å; F54-R71 HydrophobicContact CE2-CB 3.85Å; F54-R71 HydrophobicContact CE2-CG 3.96Å; F54-R71 HydrophobicContact CG-CB 3.83Å; F54-R71 HydrophobicContact CG-CG 3.91Å; F54-R71 HydrophobicContact CZ-CB 3.83Å; F54-R71 HydrophobicContact CZ-CG 4.45Å; R71-I307 WeakPolarHBondContact O-CG2 3.21Å
72	G	96.8	Very high	96.5	Very high	19 Å²	19	40.2 Å²	40.2	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-5.6	179.9	0	0	0	0	0	114.8	Y70 D74 K75	Y70-G72 PolarHBondContact O-N 3.13Å; G72-D74 VanDerWaalsContact C-OD1 3.28Å; G72-D74 VanDerWaalsContact CA-OD1 3.22Å; G72-D74 WeakPolarHBondContact CA-OD1 3.43Å; G72-D74 PolarHBondContact O-N 2.76Å; G72-K75 WeakPolarHBondContact O-CB 3.46Å; G72-K75 WeakPolarHBondContact O-CG 3.41Å; G72-K75 PolarHBondContact O-N 3.24Å
73	A	97.8	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.1	175.3	0	0	0	0	0	113.3	Y70 K75 L76 C77 I307 F320	Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 2.87Å; A73-K75 PolarHBondContact O-N 2.91Å; A73-K75 VanDerWaalsContact O-N 3.13Å; A73-L76 PolarHBondContact O-N 3Å; A73-C77 PolarHBondContact O-N 2.92Å; A73-C77 PolarHBondContact O-SG 3.14Å; A73-I307 HydrophobicContact CB-CD1 4.36Å; A73-F320 HydrophobicContact CB-CE1 3.94Å; A73-F320 HydrophobicContact CB-CZ 3.95Å
74	D	94.2	Very high	96.7	Very high	89 Å²	89	37.9 Å²	37.9	48%	0.476	19%	0.186	S	C	.	.	H	α-helix	trans	-58.9	-20	170.8	61.4	-74.4	0	0	0	113.1	G72 L76 C77 R78	G72-D74 VanDerWaalsContact C-OD1 3.28Å; G72-D74 VanDerWaalsContact CA-OD1 3.22Å; G72-D74 WeakPolarHBondContact CA-OD1 3.43Å; G72-D74 PolarHBondContact O-N 2.76Å; D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.34Å; D74-C77 PolarHBondContact O-N 2.96Å; D74-R78 HydrophobicContact CB-CG 4.48Å; D74-R78 WeakPolarHBondContact O-CB 3.36Å; D74-R78 WeakPolarHBondContact O-CG 3.43Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.11Å
75	K	95.4	Very high	96.6	Very high	102 Å²	102	35 Å²	35	44%	0.443	17%	0.167	S	C	.	.	H	α-helix	trans	-60.7	-34.8	170.8	-67.8	177.3	-177.5	176.4	0	113.1	G72 A73 S81 L82	G72-K75 WeakPolarHBondContact O-CB 3.46Å; G72-K75 WeakPolarHBondContact O-CG 3.41Å; G72-K75 PolarHBondContact O-N 3.24Å; A73-K75 PolarHBondContact O-N 2.91Å; A73-K75 VanDerWaalsContact O-N 3.13Å; K75-S81 CarbonylContact O-C 3.57Å; K75-S81 WeakPolarHBondContact O-CB 3.3Å; K75-L82 PolarHBondContact O-N 3.03Å
76	L	97.2	Very high	96.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-82.4	-32.3	172.3	-73.9	176.7	0	0	0	112.2	A73 D74 L82 L85 C299 L300 I303 I337	A73-L76 PolarHBondContact O-N 3Å; D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.34Å; L76-L82 HydrophobicContact CD2-CD1 3.98Å; L76-L85 HydrophobicContact CD2-CD2 3.38Å; L76-L85 HydrophobicContact CG-CD2 4.17Å; L76-C299 HydrophobicContact CD2-CB 4.12Å; L76-L300 HydrophobicContact CD1-CD2 3.91Å; L76-I303 HydrophobicContact CD1-CD1 3.25Å; L76-I303 HydrophobicContact CD1-CG1 3.82Å; L76-I303 HydrophobicContact CD2-CG2 4.31Å; L76-I303 HydrophobicContact CG-CD1 3.76Å; L76-I303 HydrophobicContact CG-CG1 4.35Å; L76-I303 HydrophobicContact CG-CG2 4.2Å; L76-I337 HydrophobicContact CB-CD1 4.08Å; L76-I337 HydrophobicContact CD1-CD1 4.44Å; L76-I337 HydrophobicContact CD2-CD1 3.92Å; L76-I337 HydrophobicContact CG-CD1 4.39Å
77	C	96.2	Very high	96.3	Very high	28 Å²	28	38.9 Å²	38.9	19%	0.189	19%	0.185	C	C	.	.	H	α-helix	trans	-93.5	-1.1	-164.4	-54.4	0	0	0	0	114.6	A73 D74 I337 G339	A73-C77 PolarHBondContact O-N 2.92Å; A73-C77 PolarHBondContact O-SG 3.14Å; D74-C77 PolarHBondContact O-N 2.96Å; C77-I337 VanDerWaalsContact CA-O 3.23Å; C77-I337 WeakPolarHBondContact CA-O 3.37Å; C77-G339 WeakPolarHBondContact SG-CA 3.48Å; C77-G339 PolarHBondContact SG-N 3.46Å
78	R	94.6	Very high	96	Very high	106 Å²	106	42.4 Å²	42.4	40%	0.4	21%	0.206	S	C	.	.	S	Bend	trans	-113	132.3	176.2	-62.6	-62.7	-177	173.7	-0.3	109.1	D74 A80 S81 L82	D74-R78 HydrophobicContact CB-CG 4.48Å; D74-R78 WeakPolarHBondContact O-CB 3.36Å; D74-R78 WeakPolarHBondContact O-CG 3.43Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.11Å; R78-A80 PolarHBondContact O-N 3.26Å; R78-S81 PolarHBondContact O-N 3.34Å; R78-S81 VanDerWaalsContact O-N 3.09Å; R78-L82 WeakPolarHBondContact O-CB 3.45Å; R78-L82 PolarHBondContact O-N 3.14Å
79	K	93.9	Very high	95.8	Very high	41 Å²	41	43.2 Å²	43.2	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-53.3	-53.4	-171.1	-56.9	-172.5	-165.7	-76.9	0	112.7	S81 L82 V83 K155 S156 S157 V186 E336	K79-S81 PolarHBondContact O-N 3.37Å; K79-L82 PolarHBondContact O-N 3.48Å; K79-V83 WeakPolarHBondContact O-CG2 3.42Å; K79-V83 PolarHBondContact O-N 2.77Å; K79-V83 VanDerWaalsContact O-N 3.1Å; K79-K155 HydrophobicContact CD-CB 4.07Å; K79-K155 HydrophobicContact CD-CD 3.91Å; K79-K155 HydrophobicContact CD-CG 3.77Å; K79-S156 WeakPolarHBondContact CD-O 3.48Å; K79-S156 WeakPolarHBondContact CE-O 3.23Å; K79-S157 PolarHBondContact N-OG 3.28Å; K79-V186 HydrophobicContact CB-CG2 4.01Å; K79-E336 IonicContact NZ-OE2 2.7Å; K79-E336 PolarHBondContact NZ-OE2 2.8Å
80	A	94.1	Very high	95.5	Very high	15 Å²	15	46.3 Å²	46.3	12%	0.124	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-39.1	179.4	0	0	0	0	0	112.6	R78 L82 V83 K84 I104 V184 V186	R78-A80 PolarHBondContact O-N 3.26Å; A80-L82 VanDerWaalsContact C-N 3.35Å; A80-L82 PolarHBondContact O-N 3.01Å; A80-V83 PolarHBondContact O-N 3.4Å; A80-K84 WeakPolarHBondContact O-CB 3.38Å; A80-K84 PolarHBondContact O-N 2.98Å; A80-I104 HydrophobicContact CB-CD1 4.48Å; A80-I104 HydrophobicContact CB-CG1 4.38Å; A80-I104 HydrophobicContact CB-CG2 4.07Å; A80-I104 VanDerWaalsContact O-CD1 3.24Å; A80-I104 WeakPolarHBondContact O-CD1 3.4Å; A80-V184 HydrophobicContact CB-CG1 4.24Å; A80-V184 HydrophobicContact CB-CG2 4.08Å; A80-V186 HydrophobicContact CB-CG2 4.24Å
81	S	95.1	Very high	95.2	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-39	176.4	-54.2	0	0	0	0	112.3	K75 R78 K79 K84 L85	K75-S81 CarbonylContact O-C 3.57Å; K75-S81 WeakPolarHBondContact O-CB 3.3Å; R78-S81 PolarHBondContact O-N 3.34Å; R78-S81 VanDerWaalsContact O-N 3.09Å; K79-S81 PolarHBondContact O-N 3.37Å; S81-K84 PolarHBondContact O-N 3.06Å; S81-L85 WeakPolarHBondContact O-CB 3.34Å; S81-L85 PolarHBondContact O-N 3.15Å
82	L	97.1	Very high	94.9	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-47.9	177.3	179.5	61.6	0	0	0	110.8	K75 L76 R78 K79 A80 K84 L85 I86 F99 I337	K75-L82 PolarHBondContact O-N 3.03Å; L76-L82 HydrophobicContact CD2-CD1 3.98Å; R78-L82 WeakPolarHBondContact O-CB 3.45Å; R78-L82 PolarHBondContact O-N 3.14Å; K79-L82 PolarHBondContact O-N 3.48Å; A80-L82 VanDerWaalsContact C-N 3.35Å; A80-L82 PolarHBondContact O-N 3.01Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.78Å; L82-L85 PolarHBondContact O-N 2.72Å; L82-I86 HydrophobicContact CD1-CD1 3.78Å; L82-I86 HydrophobicContact CD1-CG1 4.14Å; L82-I86 HydrophobicContact CG-CD1 3.86Å; L82-I86 WeakPolarHBondContact O-CB 3.31Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.34Å; L82-F99 HydrophobicContact CD2-CE2 4.15Å; L82-F99 HydrophobicContact CG-CE2 4.44Å; L82-I337 HydrophobicContact CD1-CD1 4.1Å
83	V	96.7	Very high	94.4	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-57.1	-47	175.2	173.9	0	0	0	0	110.5	K79 A80 I86 K87 F99 I104 V186	K79-V83 WeakPolarHBondContact O-CG2 3.42Å; K79-V83 PolarHBondContact O-N 2.77Å; K79-V83 VanDerWaalsContact O-N 3.1Å; A80-V83 PolarHBondContact O-N 3.4Å; V83-I86 PolarHBondContact O-N 3.43Å; V83-K87 HydrophobicContact CG1-CD 4.07Å; V83-K87 WeakPolarHBondContact O-CB 3.4Å; V83-K87 WeakPolarHBondContact O-CG 3.49Å; V83-K87 PolarHBondContact O-N 3.39Å; V83-F99 HydrophobicContact CG2-CE1 3.99Å; V83-F99 HydrophobicContact CG2-CZ 3.84Å; V83-I104 HydrophobicContact CB-CD1 4.25Å; V83-I104 HydrophobicContact CB-CG1 4.01Å; V83-I104 HydrophobicContact CG1-CD1 4.16Å; V83-I104 HydrophobicContact CG1-CG1 3.78Å; V83-V186 HydrophobicContact CG2-CB 4.43Å; V83-V186 HydrophobicContact CG2-CG1 3.71Å; V83-V186 HydrophobicContact CG2-CG2 3.8Å
84	K	94.6	Very high	94.1	Very high	77 Å²	77	51.2 Å²	51.2	34%	0.335	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-47.8	178.4	-174.9	178.4	-179.7	-176.7	0	111.7	A80 S81 L82 K87 T88 I104	A80-K84 WeakPolarHBondContact O-CB 3.38Å; A80-K84 PolarHBondContact O-N 2.98Å; S81-K84 PolarHBondContact O-N 3.06Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.78Å; K84-K87 PolarHBondContact O-N 3.19Å; K84-T88 HydrophobicContact CG-CG2 4.3Å; K84-T88 WeakPolarHBondContact O-CB 3.2Å; K84-T88 WeakPolarHBondContact O-CG2 3.35Å; K84-T88 PolarHBondContact O-N 3.2Å; K84-T88 PolarHBondContact O-OG1 3.1Å; K84-I104 HydrophobicContact CB-CD1 3.81Å
85	L	95.5	Very high	93.9	Very high	24 Å²	24	48 Å²	48	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-52	179.2	-178.9	73.3	0	0	0	110.2	L76 S81 L82 K87 T88 S89 I303	L76-L85 HydrophobicContact CD2-CD2 3.38Å; L76-L85 HydrophobicContact CG-CD2 4.17Å; S81-L85 WeakPolarHBondContact O-CB 3.34Å; S81-L85 PolarHBondContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 2.72Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 3.24Å; L85-T88 PolarHBondContact O-N 3.35Å; L85-T88 VanDerWaalsContact O-N 3.14Å; L85-S89 WeakPolarHBondContact CD1-OG 3.31Å; L85-S89 VanDerWaalsContact O-CB 3.29Å; L85-S89 WeakPolarHBondContact O-CB 3.08Å; L85-S89 PolarHBondContact O-N 2.84Å; L85-S89 PolarHBondContact O-OG 2.87Å; L85-S89 VanDerWaalsContact O-OG 3.09Å; L85-I303 HydrophobicContact CD1-CG2 4.07Å; L85-I303 HydrophobicContact CD2-CG2 3.55Å; L85-I303 HydrophobicContact CG-CG2 4.44Å
86	I	96	Very high	93.7	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-43.4	179.6	-70.5	173.3	0	0	0	111.7	L82 V83 L92 S95 W98 F99	L82-I86 HydrophobicContact CD1-CD1 3.78Å; L82-I86 HydrophobicContact CD1-CG1 4.14Å; L82-I86 HydrophobicContact CG-CD1 3.86Å; L82-I86 WeakPolarHBondContact O-CB 3.31Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.34Å; V83-I86 PolarHBondContact O-N 3.43Å; I86-L92 HydrophobicContact CG1-CD1 4.07Å; I86-S95 VanDerWaalsContact CG2-OG 3.25Å; I86-S95 WeakPolarHBondContact CG2-OG 3.34Å; I86-W98 HydrophobicContact CD1-CZ3 4.18Å; I86-F99 HydrophobicContact CB-CD1 4.41Å; I86-F99 HydrophobicContact CD1-CB 4.13Å; I86-F99 HydrophobicContact CD1-CD1 3.59Å; I86-F99 HydrophobicContact CD1-CD2 3.54Å; I86-F99 HydrophobicContact CD1-CE1 3.75Å; I86-F99 HydrophobicContact CD1-CE2 3.71Å; I86-F99 HydrophobicContact CD1-CG 3.47Å; I86-F99 VanDerWaalsContact CD1-CG 3.47Å; I86-F99 HydrophobicContact CD1-CZ 3.81Å; I86-F99 HydrophobicContact CG2-CB 4.48Å; I86-F99 HydrophobicContact CG2-CD1 3.89Å; I86-F99 HydrophobicContact CG2-CE1 4.49Å; I86-F99 HydrophobicContact CG2-CG 4.38Å
87	K	94	Very high	93.6	Very high	83 Å²	83	51.6 Å²	51.6	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-71.4	-27.5	179.5	-74.6	-177.1	172	-176.3	0	114.6	V83 K84 L85 S102 E132	V83-K87 HydrophobicContact CG1-CD 4.07Å; V83-K87 WeakPolarHBondContact O-CB 3.4Å; V83-K87 WeakPolarHBondContact O-CG 3.49Å; V83-K87 PolarHBondContact O-N 3.39Å; K84-K87 PolarHBondContact O-N 3.19Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 3.24Å; K87-S102 WeakPolarHBondContact CE-O 3.21Å; K87-S102 PolarHBondContact NZ-O 2.91Å; K87-E132 IonicContact NZ-OE1 3.52Å; K87-E132 PolarHBondContact NZ-OE1 3.09Å; K87-E132 IonicContact NZ-OE2 3.47Å; K87-E132 PolarHBondContact NZ-OE2 2.77Å
88	T	92.8	Very high	93.7	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-106.8	-13.9	-169.5	58.4	0	0	0	0	114.2	K84 L85 P90	K84-T88 HydrophobicContact CG-CG2 4.3Å; K84-T88 WeakPolarHBondContact O-CB 3.2Å; K84-T88 WeakPolarHBondContact O-CG2 3.35Å; K84-T88 PolarHBondContact O-N 3.2Å; K84-T88 PolarHBondContact O-OG1 3.1Å; L85-T88 PolarHBondContact O-N 3.35Å; L85-T88 VanDerWaalsContact O-N 3.14Å; T88-P90 WeakPolarHBondContact O-CD 3.27Å
89	S	93.7	Very high	93.9	Very high	18 Å²	18	46.2 Å²	46.2	13%	0.126	26%	0.263	C	S	.	.			trans	-89	114.3	176.9	-66.8	0	0	0	0	111.3	L85 E91 L92 C302	L85-S89 WeakPolarHBondContact CD1-OG 3.31Å; L85-S89 VanDerWaalsContact O-CB 3.29Å; L85-S89 WeakPolarHBondContact O-CB 3.08Å; L85-S89 PolarHBondContact O-N 2.84Å; L85-S89 PolarHBondContact O-OG 2.87Å; L85-S89 VanDerWaalsContact O-OG 3.09Å; S89-E91 WeakPolarHBondContact CB-OE2 3.39Å; S89-E91 PolarHBondContact O-N 3.03Å; S89-L92 PolarHBondContact O-N 2.8Å; S89-C302 WeakPolarHBondContact CB-SG 3.29Å; S89-C302 PolarHBondContact OG-SG 3.01Å
90	P	92.3	Very high	94.1	Very high	87 Å²	87	44.7 Å²	44.7	57%	0.565	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-58.8	-28.6	177.6	-23.8	34.9	0	0	0	113.7	T88 L92 S93	T88-P90 WeakPolarHBondContact O-CD 3.27Å; P90-L92 PolarHBondContact O-N 2.96Å; P90-S93 VanDerWaalsContact O-CB 3.27Å; P90-S93 WeakPolarHBondContact O-CB 3.45Å; P90-S93 PolarHBondContact O-N 2.83Å; P90-S93 PolarHBondContact O-OG 2.58Å
91	E	92	Very high	94.3	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.1	177.7	-53.1	82.3	-179.9	0	0	112.7	S89	S89-E91 WeakPolarHBondContact CB-OE2 3.39Å; S89-E91 PolarHBondContact O-N 3.03Å
92	L	93.2	Very high	94.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-108.9	25.3	178.8	-55.9	179.7	0	0	0	111.7	I86 S89 P90 D94 S95 W98 S298 C302	I86-L92 HydrophobicContact CG1-CD1 4.07Å; S89-L92 PolarHBondContact O-N 2.8Å; P90-L92 PolarHBondContact O-N 2.96Å; L92-D94 PolarHBondContact O-N 2.99Å; L92-S95 WeakPolarHBondContact O-CB 3.23Å; L92-S95 PolarHBondContact O-N 2.78Å; L92-S95 PolarHBondContact O-OG 3Å; L92-W98 HydrophobicContact CB-CH2 4.45Å; L92-W98 HydrophobicContact CB-CZ2 4.44Å; L92-W98 HydrophobicContact CD2-CH2 4.05Å; L92-W98 HydrophobicContact CD2-CZ2 4.09Å; L92-S298 WeakPolarHBondContact CD2-O 3.33Å; L92-C302 HydrophobicContact CD1-CB 4.13Å; L92-C302 HydrophobicContact CD2-CB 4.09Å; L92-C302 HydrophobicContact CG-CB 4.12Å
93	S	86.4	Confident	94.4	Very high	100 Å²	100	45.9 Å²	45.9	70%	0.699	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.3	-178.5	47.4	0	0	0	0	114.1	P90 S95	P90-S93 VanDerWaalsContact O-CB 3.27Å; P90-S93 WeakPolarHBondContact O-CB 3.45Å; P90-S93 PolarHBondContact O-N 2.83Å; P90-S93 PolarHBondContact O-OG 2.58Å; S93-S95 PolarHBondContact O-N 3.08Å
94	D	90.6	Very high	94.3	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.8	173.9	74.9	-35	0	0	0	113.4	L92 S96 N97 W98 H294	L92-D94 PolarHBondContact O-N 2.99Å; D94-S96 PolarHBondContact O-N 3.31Å; D94-S96 VanDerWaalsContact O-N 3.1Å; D94-N97 VanDerWaalsContact O-CB 3.25Å; D94-N97 WeakPolarHBondContact O-CB 2.71Å; D94-N97 PolarHBondContact O-N 2.84Å; D94-N97 PolarHBondContact O-ND2 3.13Å; D94-W98 VanDerWaalsContact CG-NE1 3.27Å; D94-W98 PolarHBondContact OD1-NE1 3.43Å; D94-W98 PolarHBondContact OD2-NE1 3.39Å; D94-H294 IonicContact OD2-CE1 2.7Å; D94-H294 IonicContact OD2-NE2 2.64Å; D94-H294 PolarHBondContact OD2-NE2 3.21Å
95	S	91.1	Very high	94.3	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.14	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.7	-172.1	55.1	0	0	0	0	115.6	I86 L92 S93 N97 W98 F99	I86-S95 VanDerWaalsContact CG2-OG 3.25Å; I86-S95 WeakPolarHBondContact CG2-OG 3.34Å; L92-S95 WeakPolarHBondContact O-CB 3.23Å; L92-S95 PolarHBondContact O-N 2.78Å; L92-S95 PolarHBondContact O-OG 3Å; S93-S95 PolarHBondContact O-N 3.08Å; S95-N97 PolarHBondContact O-N 2.64Å; S95-W98 VanDerWaalsContact CA-CE2 3.48Å; S95-W98 PolarHBondContact O-N 3.37Å; S95-F99 WeakPolarHBondContact O-CB 3.41Å; S95-F99 PolarHBondContact O-N 3.49Å
96	S	91.3	Very high	94.1	Very high	88 Å²	88	43.6 Å²	43.6	62%	0.615	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-58	-19	170.5	57.5	0	0	0	0	113	D94	D94-S96 PolarHBondContact O-N 3.31Å; D94-S96 VanDerWaalsContact O-N 3.1Å
97	N	95.1	Very high	93.8	Very high	91 Å²	91	43.3 Å²	43.3	49%	0.487	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-84	-13.9	176.1	-64.2	-45.9	0	0	0	114.3	D94 S95 K331	D94-N97 VanDerWaalsContact O-CB 3.25Å; D94-N97 WeakPolarHBondContact O-CB 2.71Å; D94-N97 PolarHBondContact O-N 2.84Å; D94-N97 PolarHBondContact O-ND2 3.13Å; S95-N97 PolarHBondContact O-N 2.64Å; N97-K331 WeakPolarHBondContact O-CE 3.33Å; N97-K331 PolarHBondContact O-NZ 2.85Å
98	W	97.9	Very high	93.4	Very high	8 Å²	8	43.9 Å²	43.9	3%	0.03	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.2	-0.4	-172.1	50.4	-102.9	0	0	0	114.5	I86 L92 D94 S95 H294 V295 W333 L334	I86-W98 HydrophobicContact CD1-CZ3 4.18Å; L92-W98 HydrophobicContact CB-CH2 4.45Å; L92-W98 HydrophobicContact CB-CZ2 4.44Å; L92-W98 HydrophobicContact CD2-CH2 4.05Å; L92-W98 HydrophobicContact CD2-CZ2 4.09Å; D94-W98 VanDerWaalsContact CG-NE1 3.27Å; D94-W98 PolarHBondContact OD1-NE1 3.43Å; D94-W98 PolarHBondContact OD2-NE1 3.39Å; S95-W98 VanDerWaalsContact CA-CE2 3.48Å; S95-W98 PolarHBondContact O-N 3.37Å; W98-H294 AromaticContact NE1-NE2 3.96Å; W98-V295 HydrophobicContact CB-CG2 3.65Å; W98-V295 HydrophobicContact CD2-CG1 4.33Å; W98-V295 HydrophobicContact CD2-CG2 3.79Å; W98-V295 HydrophobicContact CE3-CB 4.48Å; W98-V295 HydrophobicContact CE3-CG1 3.75Å; W98-V295 HydrophobicContact CE3-CG2 3.99Å; W98-V295 HydrophobicContact CG-CG2 3.65Å; W98-V295 HydrophobicContact CZ3-CG1 4.06Å; W98-W333 CarbonylContact O-C 3.47Å; W98-W333 WeakPolarHBondContact O-CA 3.23Å; W98-L334 HydrophobicContact CE3-CB 4.38Å; W98-L334 HydrophobicContact CZ3-CD2 4.13Å; W98-L334 PolarHBondContact O-N 3.16Å
99	F	98.6	Very high	92.7	Very high	14 Å²	14	45.3 Å²	45.3	6%	0.061	26%	0.258	C	S	.	.	S	Bend	trans	-124	123.8	172.3	-172.7	-113.6	0	0	0	109.1	L82 V83 I86 S95 E101 S102 L334	L82-F99 HydrophobicContact CD2-CE2 4.15Å; L82-F99 HydrophobicContact CG-CE2 4.44Å; V83-F99 HydrophobicContact CG2-CE1 3.99Å; V83-F99 HydrophobicContact CG2-CZ 3.84Å; I86-F99 HydrophobicContact CB-CD1 4.41Å; I86-F99 HydrophobicContact CD1-CB 4.13Å; I86-F99 HydrophobicContact CD1-CD1 3.59Å; I86-F99 HydrophobicContact CD1-CD2 3.54Å; I86-F99 HydrophobicContact CD1-CE1 3.75Å; I86-F99 HydrophobicContact CD1-CE2 3.71Å; I86-F99 HydrophobicContact CD1-CG 3.47Å; I86-F99 VanDerWaalsContact CD1-CG 3.47Å; I86-F99 HydrophobicContact CD1-CZ 3.81Å; I86-F99 HydrophobicContact CG2-CB 4.48Å; I86-F99 HydrophobicContact CG2-CD1 3.89Å; I86-F99 HydrophobicContact CG2-CE1 4.49Å; I86-F99 HydrophobicContact CG2-CG 4.38Å; S95-F99 WeakPolarHBondContact O-CB 3.41Å; S95-F99 PolarHBondContact O-N 3.49Å; F99-E101 PolarHBondContact O-N 3.17Å; F99-S102 WeakPolarHBondContact CE1-OG 3.44Å; F99-L334 HydrophobicContact CD2-CB 4.24Å; F99-L334 HydrophobicContact CD2-CD2 4.3Å; F99-L334 HydrophobicContact CD2-CG 4.37Å; F99-L334 WeakPolarHBondContact CD2-O 3.22Å
100	P	97.9	Very high	91.7	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.058	27%	0.269	C	S	.	.			trans	-60.9	141.5	179.9	-21.8	32.4	0	0	0	111.3	S102 Q188 K189 W333 L334 I335	P100-S102 PolarHBondContact O-N 3.43Å; P100-S102 PolarHBondContact O-OG 3.33Å; P100-Q188 HydrophobicContact CB-CG 3.7Å; P100-Q188 HydrophobicContact CG-CG 4.42Å; P100-K189 HydrophobicContact CB-CB 4.48Å; P100-W333 HydrophobicContact CG-CB 4.23Å; P100-W333 HydrophobicContact CG-CE3 4.06Å; P100-L334 WeakPolarHBondContact CD-O 3.38Å; P100-I335 HydrophobicContact CG-CD1 4.3Å
101	E	97.4	Very high	90.5	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.313	28%	0.284	S	S	.	.			trans	-48.8	129.6	176.3	-176.8	176.3	-159.7	0	0	110.5	F99 Y103 S139 K143 W152 Q188 K189	F99-E101 PolarHBondContact O-N 3.17Å; E101-Y103 HydrophobicContact CG-CE2 3.85Å; E101-Y103 PolarHBondContact OE1-OH 3.11Å; E101-S139 PolarHBondContact OE1-OG 3.2Å; E101-K143 WeakPolarHBondContact OE2-CE 3.21Å; E101-K143 IonicContact OE2-NZ 3.73Å; E101-W152 HydrophobicContact CB-CZ3 4.48Å; E101-W152 HydrophobicContact CG-CH2 4.12Å; E101-W152 HydrophobicContact CG-CZ3 4.26Å; E101-Q188 CarbonylContact O-C 3.28Å; E101-Q188 WeakPolarHBondContact O-CA 3.48Å; E101-K189 HydrophobicContact CB-CB 4.17Å; E101-K189 PolarHBondContact O-N 3.04Å
102	S	97.4	Very high	89	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.2	-167.1	-61.7	0	0	0	0	111.8	K87 F99 P100 I187 Q188	K87-S102 WeakPolarHBondContact CE-O 3.21Å; K87-S102 PolarHBondContact NZ-O 2.91Å; F99-S102 WeakPolarHBondContact CE1-OG 3.44Å; P100-S102 PolarHBondContact O-N 3.43Å; P100-S102 PolarHBondContact O-OG 3.33Å; S102-I187 CarbonylContact C-O 3.51Å; S102-I187 VanDerWaalsContact CA-O 3.29Å; S102-I187 WeakPolarHBondContact CA-O 3.41Å; S102-Q188 VanDerWaalsContact OG-CG 3.27Å; S102-Q188 WeakPolarHBondContact OG-CG 3.46Å; S102-Q188 PolarHBondContact OG-NE2 3.32Å
103	Y	96.9	Very high	87.5	Confident	15 Å²	15	49.7 Å²	49.7	6%	0.059	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.2	-179.5	-60	-79.6	0	0	0	111.1	E101 E132 V135 F136 S139 W152 V186 I187	E101-Y103 HydrophobicContact CG-CE2 3.85Å; E101-Y103 PolarHBondContact OE1-OH 3.11Å; Y103-E132 WeakPolarHBondContact CA-OE2 3.28Å; Y103-E132 HydrophobicContact CD1-CB 4.15Å; Y103-V135 HydrophobicContact CD1-CB 4.33Å; Y103-V135 HydrophobicContact CD1-CG1 4.28Å; Y103-V135 HydrophobicContact CE1-CB 4.17Å; Y103-V135 HydrophobicContact CE1-CG1 3.68Å; Y103-F136 HydrophobicContact CD1-CB 4.2Å; Y103-F136 HydrophobicContact CD2-CB 3.83Å; Y103-F136 AromaticContact CD2-CD2 3.74Å; Y103-F136 HydrophobicContact CD2-CD2 3.74Å; Y103-F136 HydrophobicContact CD2-CG 4.22Å; Y103-F136 HydrophobicContact CE2-CB 4.36Å; Y103-F136 HydrophobicContact CE2-CD2 4.1Å; Y103-F136 HydrophobicContact CG-CB 3.72Å; Y103-F136 HydrophobicContact CG-CD2 4.46Å; Y103-S139 WeakPolarHBondContact OH-CB 3.36Å; Y103-S139 PolarHBondContact OH-OG 2.73Å; Y103-W152 HydrophobicContact CD2-CZ3 4.11Å; Y103-W152 AromaticContact CE2-CH2 3.9Å; Y103-W152 HydrophobicContact CE2-CH2 3.9Å; Y103-W152 AromaticContact CE2-CZ3 3.84Å; Y103-W152 HydrophobicContact CE2-CZ3 3.84Å; Y103-V186 CarbonylContact O-C 3.47Å; Y103-V186 VanDerWaalsContact O-CA 3.23Å; Y103-V186 WeakPolarHBondContact O-CA 3.44Å; Y103-I187 PolarHBondContact N-O 2.89Å; Y103-I187 PolarHBondContact O-N 3.34Å
104	I	95.8	Very high	86.3	Confident	15 Å²	15	48.6 Å²	48.6	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.2	176.6	-56	171.9	0	0	0	108.3	A80 V83 K84 Y106 E132 V184	A80-I104 HydrophobicContact CB-CD1 4.48Å; A80-I104 HydrophobicContact CB-CG1 4.38Å; A80-I104 HydrophobicContact CB-CG2 4.07Å; A80-I104 VanDerWaalsContact O-CD1 3.24Å; A80-I104 WeakPolarHBondContact O-CD1 3.4Å; V83-I104 HydrophobicContact CB-CD1 4.25Å; V83-I104 HydrophobicContact CB-CG1 4.01Å; V83-I104 HydrophobicContact CG1-CD1 4.16Å; V83-I104 HydrophobicContact CG1-CG1 3.78Å; K84-I104 HydrophobicContact CB-CD1 3.81Å; I104-Y106 HydrophobicContact CG2-CD2 4.37Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; I104-E132 PolarHBondContact N-OE2 2.85Å; I104-E132 WeakPolarHBondContact O-CB 3.47Å; I104-E132 PolarHBondContact O-N 2.7Å; I104-V184 HydrophobicContact CG2-CG2 3.53Å
105	I	94.4	Very high	84.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.8	-177.8	-50.6	-59.3	0	0	0	109	R133 F136 L175 I178 H185 I187	I105-R133 HydrophobicContact CD1-CB 4.22Å; I105-F136 HydrophobicContact CD1-CB 4.26Å; I105-L175 HydrophobicContact CG2-CD2 4.03Å; I105-I178 HydrophobicContact CB-CD1 4Å; I105-I178 HydrophobicContact CB-CG2 4.36Å; I105-I178 HydrophobicContact CG1-CD1 4.29Å; I105-I178 HydrophobicContact CG2-CD1 4.07Å; I105-I178 HydrophobicContact CG2-CG2 3.91Å; I105-H185 PolarHBondContact N-O 3.17Å; I105-H185 PolarHBondContact O-N 2.82Å; I105-I187 HydrophobicContact CG1-CB 4.39Å; I105-I187 HydrophobicContact CG1-CD1 3.82Å; I105-I187 HydrophobicContact CG1-CG1 3.86Å
106	Y	91.4	Very high	83.1	Confident	40 Å²	40	49.1 Å²	49.1	16%	0.157	28%	0.277	C	S	.	.			trans	-99.2	140.6	172.1	-69.6	-97.7	0	0	0	109.2	I104 T108 L110 T112 P128 D131 R133 V184	I104-Y106 HydrophobicContact CG2-CD2 4.37Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; Y106-T108 PolarHBondContact O-N 3.13Å; Y106-L110 HydrophobicContact CD1-CD1 4.3Å; Y106-T112 WeakPolarHBondContact CB-OG1 3.15Å; Y106-T112 HydrophobicContact CD1-CG2 3.76Å; Y106-T112 HydrophobicContact CD2-CG2 4.42Å; Y106-T112 HydrophobicContact CE1-CG2 4.1Å; Y106-T112 HydrophobicContact CG-CG2 3.93Å; Y106-P128 PolarHBondContact OH-O 2.84Å; Y106-D131 WeakPolarHBondContact CA-OD2 3.33Å; Y106-D131 WeakPolarHBondContact CB-OD2 3.46Å; Y106-D131 HydrophobicContact CD2-CB 4.12Å; Y106-D131 PolarHBondContact N-OD2 3.47Å; Y106-R133 PolarHBondContact O-NH2 3.02Å; Y106-V184 HydrophobicContact CD1-CB 4.06Å; Y106-V184 HydrophobicContact CD1-CG2 4.06Å; Y106-V184 HydrophobicContact CD2-CG2 4.31Å; Y106-V184 HydrophobicContact CE1-CB 3.92Å; Y106-V184 HydrophobicContact CE1-CG2 3.82Å; Y106-V184 HydrophobicContact CE2-CG2 4.08Å; Y106-V184 HydrophobicContact CG-CG2 4.3Å
107	P	89	Confident	81.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.			trans	-57.1	136	166.1	-25.8	34.2	0	0	0	110.8	N109 L110 I178 Q181 Q183	P107-N109 WeakPolarHBondContact CB-OD1 3.36Å; P107-N109 PolarHBondContact O-N 3.12Å; P107-N109 VanDerWaalsContact O-N 3.16Å; P107-L110 HydrophobicContact CG-CD1 4.39Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.37Å; P107-I178 HydrophobicContact CG-CG2 4.16Å; P107-I178 WeakPolarHBondContact CG-O 3.43Å; P107-Q181 VanDerWaalsContact CB-O 3.25Å; P107-Q181 WeakPolarHBondContact CB-O 3.47Å; P107-Q181 WeakPolarHBondContact CG-O 3.38Å; P107-Q183 VanDerWaalsContact CD-O 3.29Å; P107-Q183 WeakPolarHBondContact CD-O 3.29Å; P107-Q183 WeakPolarHBondContact CG-O 3.36Å
108	T	85	Confident	78.8	Confident	94 Å²	94	47.3 Å²	47.3	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.5	-178.4	47.3	0	0	0	0	114.1	Y106 L110 D179	Y106-T108 PolarHBondContact O-N 3.13Å; T108-L110 PolarHBondContact O-N 3.38Å; T108-D179 WeakPolarHBondContact CB-OD1 3.3Å; T108-D179 WeakPolarHBondContact CG2-OD1 3.48Å; T108-D179 PolarHBondContact N-OD1 3.46Å; T108-D179 VanDerWaalsContact OG1-CG 3.29Å; T108-D179 PolarHBondContact OG1-OD1 3.49Å
109	N	78.3	Confident	76.2	Confident	105 Å²	105	55.5 Å²	55.5	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.8	172.1	64.7	6.2	0	0	0	113.4	P107	P107-N109 WeakPolarHBondContact CB-OD1 3.36Å; P107-N109 PolarHBondContact O-N 3.12Å; P107-N109 VanDerWaalsContact O-N 3.16Å
110	L	74	Confident	73.6	Confident	69 Å²	69	57.2 Å²	57.2	36%	0.361	34%	0.338	S	S	.	.	S	Bend	trans	-96	127.3	171	-59.5	178.6	0	0	0	109.5	Y106 P107 T108 T112	Y106-L110 HydrophobicContact CD1-CD1 4.3Å; P107-L110 HydrophobicContact CG-CD1 4.39Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.37Å; T108-L110 PolarHBondContact O-N 3.38Å; L110-T112 VanDerWaalsContact C-N 3.35Å; L110-T112 PolarHBondContact O-N 3.31Å; L110-T112 PolarHBondContact O-OG1 3.01Å
111	N	65.9	Low	71	Confident	166 Å²	166	65.8 Å²	65.8	89%	0.888	38%	0.381	S	S	*	.			trans	-70.1	90.1	173.2	-76.5	-22.4	0	0	0	110.4
112	T	61.6	Low	68.3	Low	29 Å²	29	66.5 Å²	66.5	18%	0.178	39%	0.394	C	S	.	.			trans	-126.3	134.4	178.7	26.2	0	0	0	0	111.7	Y106 L110 K129	Y106-T112 WeakPolarHBondContact CB-OG1 3.15Å; Y106-T112 HydrophobicContact CD1-CG2 3.76Å; Y106-T112 HydrophobicContact CD2-CG2 4.42Å; Y106-T112 HydrophobicContact CE1-CG2 4.1Å; Y106-T112 HydrophobicContact CG-CG2 3.93Å; L110-T112 VanDerWaalsContact C-N 3.35Å; L110-T112 PolarHBondContact O-N 3.31Å; L110-T112 PolarHBondContact O-OG1 3.01Å; T112-K129 WeakPolarHBondContact CB-O 3.39Å; T112-K129 HydrophobicContact CG2-CB 3.93Å; T112-K129 HydrophobicContact CG2-CD 4.29Å; T112-K129 HydrophobicContact CG2-CG 4.27Å; T112-K129 WeakPolarHBondContact CG2-O 3.42Å
113	P	62.3	Low	65.7	Low	61 Å²	61	74.1 Å²	74.1	40%	0.396	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.7	146.5	174.1	-22.4	33.7	0	0	0	112.2	T130 D131	P113-T130 CarbonylContact O-C 3.6Å; P113-T130 VanDerWaalsContact O-CA 3.25Å; P113-T130 WeakPolarHBondContact O-CA 3.42Å; P113-D131 PolarHBondContact O-N 3.03Å
114	V	60.3	Low	63.2	Low	78 Å²	78	77.4 Å²	77.4	47%	0.473	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-96.7	137.3	178.6	-175.4	0	0	0	0	110.3	E134	V114-E134 HydrophobicContact CG1-CG 3.87Å
115	A	59.9	Low	60.7	Low	0 Å²	0	86 Å²	86	0%	0	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-77.5	127.5	172.3	0	0	0	0	0	110.2	L124 T130 D131 V135	A115-L124 HydrophobicContact CB-CD2 4.03Å; A115-T130 HydrophobicContact CB-CG2 4.49Å; A115-D131 VanDerWaalsContact CB-O 3.32Å; A115-D131 WeakPolarHBondContact CB-O 3.43Å; A115-D131 PolarHBondContact N-O 3.03Å; A115-V135 HydrophobicContact CB-CG2 4.29Å
116	P	54.2	Low	58.2	Low	77 Å²	77	90.8 Å²	90.8	50%	0.5	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-68.8	138.2	-179.6	27.2	-33.2	0	0	0	111.6	T118	P116-T118 PolarHBondContact O-N 3.42Å; P116-T118 VanDerWaalsContact O-N 3.12Å
117	A	49	Very low	56.1	Low	52 Å²	52	92.1 Å²	92.1	43%	0.43	53%	0.526	S	S	.	.			trans	-72.1	97.4	167.9	0	0	0	0	0	110.9	E134	A117-E134 HydrophobicContact CB-CB 4.03Å; A117-E134 PolarHBondContact N-OE2 2.93Å
118	T	47.4	Very low	54.2	Low	90 Å²	90	96 Å²	96	55%	0.552	55%	0.552	S	S	*	*			trans	-102.6	136	166.2	50.8	0	0	0	0	110.7	P116 G120	P116-T118 PolarHBondContact O-N 3.42Å; P116-T118 VanDerWaalsContact O-N 3.12Å; T118-G120 VanDerWaalsContact C-N 3.33Å; T118-G120 PolarHBondContact O-N 3.36Å
119	N	43.3	Very low	52.9	Low	180 Å²	180	97.1 Å²	97.1	96%	0.963	55%	0.548	S	S	*	.	S	Bend	trans	-63.5	85.7	174.7	-71.3	-15.8	0	0	0	111
120	G	43.2	Very low	52.7	Low	50 Å²	50	93.9 Å²	93.9	52%	0.515	53%	0.533	S	S	.	.	S	Bend	trans	148.3	141.3	173.8	0	0	0	0	0	113.6	T118 S122	T118-G120 VanDerWaalsContact C-N 3.33Å; T118-G120 PolarHBondContact O-N 3.36Å; G120-S122 PolarHBondContact O-N 3.08Å
121	I	43.5	Very low	53.3	Low	188 Å²	188	91 Å²	91	96%	0.964	52%	0.517	S	S	*	.			trans	-66.9	67.1	172.5	-52	164.7	0	0	0	108.8
122	S	40.4	Very low	54.6	Low	83 Å²	83	83.9 Å²	83.9	58%	0.58	48%	0.479	S	S	*	.			trans	-109.2	128.5	175.6	72.5	0	0	0	0	109.8	G120 L124	G120-S122 PolarHBondContact O-N 3.08Å; S122-L124 PolarHBondContact O-N 2.84Å
123	H	44.7	Very low	56.1	Low	164 Å²	164	84.6 Å²	84.6	76%	0.759	48%	0.479	S	S	*	.			trans	-46.6	105.8	-173.5	-71.6	-84.7	0	0	0	112.9	K125	H123-K125 PolarHBondContact O-N 2.9Å
124	L	44.6	Very low	57.6	Low	85 Å²	85	86.1 Å²	86.1	45%	0.445	48%	0.48	S	S	.	.			trans	-61.5	122.8	170.3	-89.8	142.8	0	0	0	109.8	A115 S122 S126	A115-L124 HydrophobicContact CB-CD2 4.03Å; S122-L124 PolarHBondContact O-N 2.84Å; L124-S126 PolarHBondContact O-N 2.88Å
125	K	41.7	Very low	59.2	Low	196 Å²	196	84.1 Å²	84.1	85%	0.852	47%	0.468	S	S	*	.			trans	-62.5	94.1	170.4	-76.5	-179.4	178	176.3	0	110.3	H123 N127	H123-K125 PolarHBondContact O-N 2.9Å; K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.19Å
126	S	41.8	Very low	61	Low	99 Å²	99	84.1 Å²	84.1	69%	0.692	47%	0.468	S	S	*	.			trans	29.2	29.1	144.5	76.8	0	0	0	0	122.4	L124 P128	L124-S126 PolarHBondContact O-N 2.88Å; S126-P128 VanDerWaalsContact O-CD 3.26Å; S126-P128 WeakPolarHBondContact O-CD 3.36Å
127	N	48.8	Very low	63	Low	68 Å²	68	82.6 Å²	82.6	36%	0.364	46%	0.456	S	S	.	.			trans	-79.5	117.7	169.7	-167.2	-14.5	0	0	0	110	K125 K129 T130	K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.19Å; N127-K129 PolarHBondContact O-N 3.26Å; N127-K129 PolarHBondContact OD1-N 3Å; N127-T130 HydrophobicContact CB-CG2 3.67Å; N127-T130 PolarHBondContact O-N 2.93Å; N127-T130 PolarHBondContact O-OG1 3.47Å; N127-T130 VanDerWaalsContact O-OG1 3.04Å
128	P	49.3	Very low	65.1	Low	83 Å²	83	82.6 Å²	82.6	54%	0.539	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-0.2	-175.7	27.4	-35.9	0	0	0	115.5	Y106 S126	Y106-P128 PolarHBondContact OH-O 2.84Å; S126-P128 VanDerWaalsContact O-CD 3.26Å; S126-P128 WeakPolarHBondContact O-CD 3.36Å
129	K	57.1	Low	67.4	Low	116 Å²	116	79.2 Å²	79.2	50%	0.504	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	12.7	-176.1	-76.4	-170.3	178.1	-172.5	0	113.5	T112 N127 D131	T112-K129 WeakPolarHBondContact CB-O 3.39Å; T112-K129 HydrophobicContact CG2-CB 3.93Å; T112-K129 HydrophobicContact CG2-CD 4.29Å; T112-K129 HydrophobicContact CG2-CG 4.27Å; T112-K129 WeakPolarHBondContact CG2-O 3.42Å; N127-K129 PolarHBondContact O-N 3.26Å; N127-K129 PolarHBondContact OD1-N 3Å; K129-D131 PolarHBondContact O-N 3.34Å
130	T	73.6	Confident	69.9	Low	37 Å²	37	71.4 Å²	71.4	23%	0.227	39%	0.392	C	S	.	.			trans	-74.9	118.1	-179.3	40.2	0	0	0	0	111.5	P113 A115 N127	P113-T130 CarbonylContact O-C 3.6Å; P113-T130 VanDerWaalsContact O-CA 3.25Å; P113-T130 WeakPolarHBondContact O-CA 3.42Å; A115-T130 HydrophobicContact CB-CG2 4.49Å; N127-T130 HydrophobicContact CB-CG2 3.67Å; N127-T130 PolarHBondContact O-N 2.93Å; N127-T130 PolarHBondContact O-OG1 3.47Å; N127-T130 VanDerWaalsContact O-OG1 3.04Å
131	D	86.1	Confident	72.4	Confident	8 Å²	8	73.6 Å²	73.6	4%	0.043	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-70	129.9	168.1	-166.7	-40.2	0	0	0	110.2	Y106 P113 A115 K129 R133	Y106-D131 WeakPolarHBondContact CA-OD2 3.33Å; Y106-D131 WeakPolarHBondContact CB-OD2 3.46Å; Y106-D131 HydrophobicContact CD2-CB 4.12Å; Y106-D131 PolarHBondContact N-OD2 3.47Å; P113-D131 PolarHBondContact O-N 3.03Å; A115-D131 VanDerWaalsContact CB-O 3.32Å; A115-D131 WeakPolarHBondContact CB-O 3.43Å; A115-D131 PolarHBondContact N-O 3.03Å; K129-D131 PolarHBondContact O-N 3.34Å; D131-R133 WeakPolarHBondContact OD1-CB 3.41Å; D131-R133 PolarHBondContact OD1-N 3.48Å
132	E	93.8	Very high	74.8	Confident	18 Å²	18	67.2 Å²	67.2	8%	0.084	37%	0.365	C	S	.	.			trans	-95.9	16.9	-179.4	-57.3	-172.2	109.8	0	0	113.5	K87 Y103 I104 E134 V135 F136	K87-E132 IonicContact NZ-OE1 3.52Å; K87-E132 PolarHBondContact NZ-OE1 3.09Å; K87-E132 IonicContact NZ-OE2 3.47Å; K87-E132 PolarHBondContact NZ-OE2 2.77Å; Y103-E132 WeakPolarHBondContact CA-OE2 3.28Å; Y103-E132 HydrophobicContact CD1-CB 4.15Å; I104-E132 PolarHBondContact N-OE2 2.85Å; I104-E132 WeakPolarHBondContact O-CB 3.47Å; I104-E132 PolarHBondContact O-N 2.7Å; E132-E134 PolarHBondContact O-N 3.46Å; E132-V135 HydrophobicContact CB-CB 4.48Å; E132-V135 WeakPolarHBondContact O-CB 3.49Å; E132-V135 PolarHBondContact O-N 2.9Å; E132-V135 VanDerWaalsContact O-N 3.09Å; E132-F136 PolarHBondContact O-N 2.92Å
133	R	94.2	Very high	77.3	Confident	44 Å²	44	65 Å²	65	17%	0.166	34%	0.344	C	S	.	.	H	α-helix	trans	-51.9	-48	-178.2	-177.3	178.5	-60.7	-125.8	2.7	114.1	I105 Y106 D131 V135 F136 L137 L175 D179	I105-R133 HydrophobicContact CD1-CB 4.22Å; Y106-R133 PolarHBondContact O-NH2 3.02Å; D131-R133 WeakPolarHBondContact OD1-CB 3.41Å; D131-R133 PolarHBondContact OD1-N 3.48Å; R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 PolarHBondContact O-N 3.42Å; R133-F136 PolarHBondContact O-N 3.26Å; R133-L137 HydrophobicContact CG-CD1 4.25Å; R133-L137 WeakPolarHBondContact O-CG 3.38Å; R133-L137 PolarHBondContact O-N 2.87Å; R133-L175 HydrophobicContact CG-CD1 4.06Å; R133-L175 HydrophobicContact CG-CD2 3.9Å; R133-D179 IonicContact CZ-OD1 3.28Å; R133-D179 IonicContact CZ-OD2 3.72Å; R133-D179 IonicContact NH1-OD1 3.95Å; R133-D179 IonicContact NH1-OD2 2.71Å; R133-D179 PolarHBondContact NH1-OD2 2.65Å; R133-D179 VanDerWaalsContact NH2-CG 3.28Å; R133-D179 IonicContact NH2-OD1 2.75Å; R133-D179 PolarHBondContact NH2-OD1 2.84Å; R133-D179 IonicContact NH2-OD2 2.86Å; R133-D179 PolarHBondContact NH2-OD2 2.96Å; R133-D179 VanDerWaalsContact NH2-OD2 3.1Å
134	E	92.9	Very high	79.4	Confident	92 Å²	92	63.4 Å²	63.4	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-38.7	179.2	-65.4	-176.7	-178.2	0	0	111.7	V114 A117 E132 L137 A138	V114-E134 HydrophobicContact CG1-CG 3.87Å; A117-E134 HydrophobicContact CB-CB 4.03Å; A117-E134 PolarHBondContact N-OE2 2.93Å; E132-E134 PolarHBondContact O-N 3.46Å; E134-L137 PolarHBondContact O-N 3.39Å; E134-A138 WeakPolarHBondContact O-CB 3.25Å; E134-A138 PolarHBondContact O-N 2.7Å
135	V	94.4	Very high	81.7	Confident	37 Å²	37	67.3 Å²	67.3	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-67.4	-40.8	178.3	-168	0	0	0	0	110.8	Y103 A115 E132 R133 S139	Y103-V135 HydrophobicContact CD1-CB 4.33Å; Y103-V135 HydrophobicContact CD1-CG1 4.28Å; Y103-V135 HydrophobicContact CE1-CB 4.17Å; Y103-V135 HydrophobicContact CE1-CG1 3.68Å; A115-V135 HydrophobicContact CB-CG2 4.29Å; E132-V135 HydrophobicContact CB-CB 4.48Å; E132-V135 WeakPolarHBondContact O-CB 3.49Å; E132-V135 PolarHBondContact O-N 2.9Å; E132-V135 VanDerWaalsContact O-N 3.09Å; R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 PolarHBondContact O-N 3.42Å; V135-S139 PolarHBondContact O-N 3.47Å; V135-S139 VanDerWaalsContact O-N 3.12Å
136	F	96.1	Very high	84	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-50.9	173.3	162.6	-115.9	0	0	0	111.4	Y103 I105 E132 R133 A138 S139 Y140 W152 A171 L174 L175 I187	Y103-F136 HydrophobicContact CD1-CB 4.2Å; Y103-F136 HydrophobicContact CD2-CB 3.83Å; Y103-F136 AromaticContact CD2-CD2 3.74Å; Y103-F136 HydrophobicContact CD2-CD2 3.74Å; Y103-F136 HydrophobicContact CD2-CG 4.22Å; Y103-F136 HydrophobicContact CE2-CB 4.36Å; Y103-F136 HydrophobicContact CE2-CD2 4.1Å; Y103-F136 HydrophobicContact CG-CB 3.72Å; Y103-F136 HydrophobicContact CG-CD2 4.46Å; I105-F136 HydrophobicContact CD1-CB 4.26Å; E132-F136 PolarHBondContact O-N 2.92Å; R133-F136 PolarHBondContact O-N 3.26Å; F136-A138 VanDerWaalsContact C-N 3.31Å; F136-A138 PolarHBondContact O-N 3.16Å; F136-S139 PolarHBondContact O-N 3.11Å; F136-Y140 HydrophobicContact CE2-CD2 4.49Å; F136-Y140 HydrophobicContact CZ-CD2 4.35Å; F136-Y140 VanDerWaalsContact O-CB 3.32Å; F136-Y140 WeakPolarHBondContact O-CB 3.17Å; F136-Y140 PolarHBondContact O-N 3.31Å; F136-W152 AromaticContact CE2-CD2 3.87Å; F136-W152 HydrophobicContact CE2-CD2 3.87Å; F136-W152 HydrophobicContact CE2-CE3 4.1Å; F136-W152 HydrophobicContact CE2-CG 4.19Å; F136-W152 HydrophobicContact CE2-CZ2 4.41Å; F136-A171 HydrophobicContact CE1-CB 3.82Å; F136-A171 HydrophobicContact CZ-CB 3.84Å; F136-L174 HydrophobicContact CZ-CD1 4.42Å; F136-L175 HydrophobicContact CD1-CD2 4.16Å; F136-L175 HydrophobicContact CE1-CD1 4.4Å; F136-L175 HydrophobicContact CE1-CD2 4.27Å; F136-L175 HydrophobicContact CE1-CG 4.21Å; F136-I187 HydrophobicContact CD1-CD1 3.83Å; F136-I187 HydrophobicContact CD2-CG2 3.9Å; F136-I187 HydrophobicContact CE1-CD1 3.6Å; F136-I187 HydrophobicContact CE2-CD1 4.37Å; F136-I187 HydrophobicContact CE2-CG2 3.55Å; F136-I187 HydrophobicContact CG-CD1 4.29Å; F136-I187 HydrophobicContact CZ-CD1 3.9Å; F136-I187 HydrophobicContact CZ-CG2 3.93Å
137	L	96.3	Very high	86.1	Confident	45 Å²	45	60 Å²	60	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-41.8	-179.7	-73.6	172.1	0	0	0	111.7	R133 E134 Y140 H141 A171 L175	R133-L137 HydrophobicContact CG-CD1 4.25Å; R133-L137 WeakPolarHBondContact O-CG 3.38Å; R133-L137 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3.39Å; L137-Y140 PolarHBondContact O-N 3.06Å; L137-H141 WeakPolarHBondContact O-CB 3.47Å; L137-H141 PolarHBondContact O-CD2 2.59Å; L137-H141 PolarHBondContact O-N 3.32Å; L137-A171 HydrophobicContact CD2-CB 4.05Å; L137-L175 HydrophobicContact CD1-CD1 4.2Å; L137-L175 HydrophobicContact CD2-CD1 3.89Å; L137-L175 HydrophobicContact CG-CD1 4.18Å
138	A	95	Very high	87.6	Confident	51 Å²	51	61.6 Å²	61.6	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-47.4	176.1	0	0	0	0	0	112.2	E134 F136 A142	E134-A138 WeakPolarHBondContact O-CB 3.25Å; E134-A138 PolarHBondContact O-N 2.7Å; F136-A138 VanDerWaalsContact C-N 3.31Å; F136-A138 PolarHBondContact O-N 3.16Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.96Å; A138-A142 VanDerWaalsContact O-N 3.07Å
139	S	94.8	Very high	89.1	Confident	19 Å²	19	59.2 Å²	59.2	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-43.6	176.2	179.3	0	0	0	0	112.1	E101 Y103 V135 F136 H141 A142 K143	E101-S139 PolarHBondContact OE1-OG 3.2Å; Y103-S139 WeakPolarHBondContact OH-CB 3.36Å; Y103-S139 PolarHBondContact OH-OG 2.73Å; V135-S139 PolarHBondContact O-N 3.47Å; V135-S139 VanDerWaalsContact O-N 3.12Å; F136-S139 PolarHBondContact O-N 3.11Å; S139-H141 PolarHBondContact O-N 2.61Å; S139-A142 PolarHBondContact O-N 3.24Å; S139-K143 WeakPolarHBondContact O-CG 3.36Å; S139-K143 PolarHBondContact O-N 2.87Å
140	Y	95.6	Very high	90.6	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-47.2	177	173.2	-92	0	0	0	112	F136 L137 K143 K144 W152 H169 A171	F136-Y140 HydrophobicContact CE2-CD2 4.49Å; F136-Y140 HydrophobicContact CZ-CD2 4.35Å; F136-Y140 VanDerWaalsContact O-CB 3.32Å; F136-Y140 WeakPolarHBondContact O-CB 3.17Å; F136-Y140 PolarHBondContact O-N 3.31Å; L137-Y140 PolarHBondContact O-N 3.06Å; Y140-K143 PolarHBondContact O-N 2.57Å; Y140-K144 HydrophobicContact CE1-CD 4.42Å; Y140-K144 WeakPolarHBondContact O-CB 3.34Å; Y140-K144 PolarHBondContact O-N 2.98Å; Y140-W152 AromaticContact CD2-CD1 3.91Å; Y140-W152 AromaticContact CD2-NE1 3.51Å; Y140-H169 WeakPolarHBondContact CE2-O 3.43Å; Y140-H169 PolarHBondContact OH-O 3Å; Y140-A171 HydrophobicContact CD1-CB 3.78Å; Y140-A171 HydrophobicContact CD2-CB 3.92Å; Y140-A171 HydrophobicContact CE1-CB 3.7Å; Y140-A171 HydrophobicContact CE2-CB 3.88Å; Y140-A171 HydrophobicContact CG-CB 3.89Å
141	H	94.8	Very high	91.8	Very high	96 Å²	96	54.2 Å²	54.2	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-44.3	178	-72.4	-56.5	0	0	0	112.2	L137 S139 K143 K144 E145	L137-H141 WeakPolarHBondContact O-CB 3.47Å; L137-H141 PolarHBondContact O-CD2 2.59Å; L137-H141 PolarHBondContact O-N 3.32Å; S139-H141 PolarHBondContact O-N 2.61Å; H141-K143 VanDerWaalsContact C-N 3.3Å; H141-K143 PolarHBondContact O-N 2.84Å; H141-K144 PolarHBondContact O-N 3.03Å; H141-E145 WeakPolarHBondContact O-CG 3.5Å; H141-E145 PolarHBondContact O-N 2.91Å
142	A	94.2	Very high	92.3	Very high	55 Å²	55	53.8 Å²	53.8	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-41.1	176.9	0	0	0	0	0	112.3	A138 S139 E145 S146	A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.96Å; A138-A142 VanDerWaalsContact O-N 3.07Å; S139-A142 PolarHBondContact O-N 3.24Å; A142-E145 PolarHBondContact O-N 2.89Å; A142-S146 PolarHBondContact O-N 2.86Å; A142-S146 PolarHBondContact O-OG 3.46Å
143	K	92.8	Very high	92.5	Very high	35 Å²	35	53.9 Å²	53.9	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-68	-40.2	176.2	-72.2	-168.7	-177.8	-57.1	0	113.2	E101 S139 Y140 H141 E145 S146 G147 E148 W152	E101-K143 WeakPolarHBondContact OE2-CE 3.21Å; E101-K143 IonicContact OE2-NZ 3.73Å; S139-K143 WeakPolarHBondContact O-CG 3.36Å; S139-K143 PolarHBondContact O-N 2.87Å; Y140-K143 PolarHBondContact O-N 2.57Å; H141-K143 VanDerWaalsContact C-N 3.3Å; H141-K143 PolarHBondContact O-N 2.84Å; K143-E145 VanDerWaalsContact C-N 3.27Å; K143-E145 PolarHBondContact O-N 3.21Å; K143-S146 PolarHBondContact O-N 3.3Å; K143-S146 PolarHBondContact O-OG 2.85Å; K143-S146 VanDerWaalsContact O-OG 3.13Å; K143-G147 PolarHBondContact O-N 3.36Å; K143-G147 VanDerWaalsContact O-N 3.12Å; K143-E148 HydrophobicContact CB-CB 4.08Å; K143-E148 HydrophobicContact CG-CB 4.28Å; K143-E148 IonicContact NZ-OE2 2.77Å; K143-E148 PolarHBondContact NZ-OE2 2.89Å; K143-E148 PolarHBondContact O-N 2.97Å; K143-W152 HydrophobicContact CD-CZ2 4.02Å
144	K	90.4	Very high	92.6	Very high	131 Å²	131	51.8 Å²	51.8	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-61.5	-38.8	175.7	-172.4	174.9	-180	176.1	0	111.3	Y140 H141 T150	Y140-K144 HydrophobicContact CE1-CD 4.42Å; Y140-K144 WeakPolarHBondContact O-CB 3.34Å; Y140-K144 PolarHBondContact O-N 2.98Å; H141-K144 PolarHBondContact O-N 3.03Å; K144-T150 HydrophobicContact CB-CG2 3.99Å; K144-T150 HydrophobicContact CG-CG2 4.36Å
145	E	91.9	Very high	92.6	Very high	168 Å²	168	48 Å²	48	79%	0.785	28%	0.284	S	S	*	.	H	α-helix	trans	-70.7	-38	176.5	-72.2	174.9	-176.6	0	0	112.9	H141 A142 K143 G147	H141-E145 WeakPolarHBondContact O-CG 3.5Å; H141-E145 PolarHBondContact O-N 2.91Å; A142-E145 PolarHBondContact O-N 2.89Å; K143-E145 VanDerWaalsContact C-N 3.27Å; K143-E145 PolarHBondContact O-N 3.21Å; E145-G147 PolarHBondContact O-N 3.13Å
146	S	90.6	Very high	92.4	Very high	73 Å²	73	46.5 Å²	46.5	51%	0.51	27%	0.274	S	S	.	.	H	α-helix	trans	-76.5	-7.6	177.7	68.7	0	0	0	0	114.1	A142 K143 E148	A142-S146 PolarHBondContact O-N 2.86Å; A142-S146 PolarHBondContact O-OG 3.46Å; K143-S146 PolarHBondContact O-N 3.3Å; K143-S146 PolarHBondContact O-OG 2.85Å; K143-S146 VanDerWaalsContact O-OG 3.13Å; S146-E148 PolarHBondContact O-N 2.8Å; S146-E148 WeakPolarHBondContact OG-CG 3.37Å
147	G	85.1	Confident	91.8	Very high	69 Å²	69	48.6 Å²	48.6	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	14.4	-174.9	0	0	0	0	0	113.6	K143 E145	K143-G147 PolarHBondContact O-N 3.36Å; K143-G147 VanDerWaalsContact O-N 3.12Å; E145-G147 PolarHBondContact O-N 3.13Å
148	E	81.7	Confident	90.6	Very high	101 Å²	101	49.3 Å²	49.3	47%	0.472	30%	0.301	S	S	.	.			trans	-69.6	145.9	169.3	-75.9	176.9	-148.1	0	0	110.4	K143 S146 T150	K143-E148 HydrophobicContact CB-CB 4.08Å; K143-E148 HydrophobicContact CG-CB 4.28Å; K143-E148 IonicContact NZ-OE2 2.77Å; K143-E148 PolarHBondContact NZ-OE2 2.89Å; K143-E148 PolarHBondContact O-N 2.97Å; S146-E148 PolarHBondContact O-N 2.8Å; S146-E148 WeakPolarHBondContact OG-CG 3.37Å; E148-T150 WeakPolarHBondContact O-CG2 3.26Å; E148-T150 PolarHBondContact O-N 2.83Å
149	G	80	Confident	89	Confident	32 Å²	32	48.4 Å²	48.4	33%	0.33	30%	0.297	S	S	.	.			trans	-54.2	132.1	179.6	0	0	0	0	0	112.3	K189 E192	G149-K189 WeakPolarHBondContact O-CE 3.45Å; G149-K189 PolarHBondContact O-NZ 2.77Å; G149-E192 VanDerWaalsContact CA-OE1 3.27Å; G149-E192 WeakPolarHBondContact CA-OE1 3.5Å
150	T	89.5	Confident	87.2	Confident	33 Å²	33	50.8 Å²	50.8	20%	0.202	32%	0.318	C	S	.	.			trans	-105.9	20.4	-170.7	64.9	0	0	0	0	113.3	K144 E148 W152 H169	K144-T150 HydrophobicContact CB-CG2 3.99Å; K144-T150 HydrophobicContact CG-CG2 4.36Å; E148-T150 WeakPolarHBondContact O-CG2 3.26Å; E148-T150 PolarHBondContact O-N 2.83Å; T150-W152 PolarHBondContact O-NE1 3.48Å; T150-H169 WeakPolarHBondContact O-CA 2.84Å
151	V	96.7	Very high	85.5	Confident	15 Å²	15	58 Å²	58	9%	0.091	35%	0.35	C	S	.	.			trans	-85.1	131.4	179.7	-169.7	0	0	0	0	110.7	I167 K189 Y190 E192 L238	V151-I167 HydrophobicContact CG1-CG2 3.58Å; V151-K189 PolarHBondContact O-NZ 3.43Å; V151-Y190 HydrophobicContact CB-CD1 4.29Å; V151-Y190 HydrophobicContact CG1-CD1 3.74Å; V151-Y190 HydrophobicContact CG1-CG 3.99Å; V151-Y190 WeakPolarHBondContact O-CB 3.47Å; V151-Y190 PolarHBondContact O-N 3.34Å; V151-E192 HydrophobicContact CB-CG 3.79Å; V151-E192 HydrophobicContact CG2-CG 3.93Å; V151-E192 PolarHBondContact N-OE1 3.02Å; V151-L238 HydrophobicContact CG1-CD1 3.72Å; V151-L238 HydrophobicContact CG1-CD2 4.18Å; V151-L238 HydrophobicContact CG2-CD1 4.21Å
152	W	98	Very high	83.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159	179.1	-57.8	81.7	0	0	0	111.1	E101 Y103 F136 Y140 K143 T150 I167 S168 L174 I187 Q188 K189	E101-W152 HydrophobicContact CB-CZ3 4.48Å; E101-W152 HydrophobicContact CG-CH2 4.12Å; E101-W152 HydrophobicContact CG-CZ3 4.26Å; Y103-W152 HydrophobicContact CD2-CZ3 4.11Å; Y103-W152 AromaticContact CE2-CH2 3.9Å; Y103-W152 HydrophobicContact CE2-CH2 3.9Å; Y103-W152 AromaticContact CE2-CZ3 3.84Å; Y103-W152 HydrophobicContact CE2-CZ3 3.84Å; F136-W152 AromaticContact CE2-CD2 3.87Å; F136-W152 HydrophobicContact CE2-CD2 3.87Å; F136-W152 HydrophobicContact CE2-CE3 4.1Å; F136-W152 HydrophobicContact CE2-CG 4.19Å; F136-W152 HydrophobicContact CE2-CZ2 4.41Å; Y140-W152 AromaticContact CD2-CD1 3.91Å; Y140-W152 AromaticContact CD2-NE1 3.51Å; K143-W152 HydrophobicContact CD-CZ2 4.02Å; T150-W152 PolarHBondContact O-NE1 3.48Å; W152-I167 WeakPolarHBondContact O-CA 3.22Å; W152-S168 PolarHBondContact N-O 2.78Å; W152-S168 PolarHBondContact O-N 3.25Å; W152-L174 HydrophobicContact CB-CD1 3.65Å; W152-L174 HydrophobicContact CG-CD1 4.44Å; W152-I187 HydrophobicContact CB-CG2 3.89Å; W152-I187 HydrophobicContact CD2-CG2 4.22Å; W152-I187 HydrophobicContact CE3-CG2 3.8Å; W152-I187 HydrophobicContact CG-CG2 4.27Å; W152-Q188 WeakPolarHBondContact CA-O 3.43Å; W152-Q188 VanDerWaalsContact CE3-C 3.46Å; W152-K189 HydrophobicContact CD2-CD 4.18Å; W152-K189 VanDerWaalsContact CE3-CA 3.42Å; W152-K189 HydrophobicContact CE3-CB 4.01Å; W152-K189 HydrophobicContact CE3-CD 4.36Å; W152-K189 VanDerWaalsContact CE3-N 3.26Å; W152-K189 HydrophobicContact CH2-CB 4.31Å; W152-K189 HydrophobicContact CH2-CD 4.16Å; W152-K189 HydrophobicContact CZ2-CD 4Å; W152-K189 HydrophobicContact CZ3-CB 3.82Å; W152-K189 HydrophobicContact CZ3-CD 4.34Å
153	I	97.3	Very high	82.6	Confident	20 Å²	20	54.9 Å²	54.9	10%	0.103	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.5	177.9	-178.6	172.3	0	0	0	110.3	I165 L166 I167 I187 Q188 Y190	I153-I165 HydrophobicContact CD1-CG2 3.62Å; I153-I165 HydrophobicContact CG1-CG2 3.72Å; I153-L166 CarbonylContact C-O 3.51Å; I153-L166 WeakPolarHBondContact CA-O 3.28Å; I153-I167 HydrophobicContact CB-CG1 4.1Å; I153-I167 HydrophobicContact CD1-CD1 4.37Å; I153-I167 HydrophobicContact CD1-CG1 3.97Å; I153-I167 HydrophobicContact CG1-CG1 3.88Å; I153-I187 WeakPolarHBondContact O-CA 3.47Å; I153-Q188 HydrophobicContact CG2-CB 4.14Å; I153-Q188 VanDerWaalsContact CG2-O 3.3Å; I153-Q188 WeakPolarHBondContact CG2-O 3.47Å; I153-Q188 PolarHBondContact N-O 2.9Å; I153-Q188 PolarHBondContact O-N 3.37Å; I153-Y190 HydrophobicContact CB-CD2 4.16Å; I153-Y190 HydrophobicContact CG2-CD2 4.25Å
154	A	96.8	Very high	82	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130	169.6	0	0	0	0	0	109.9	I165 L166 L174 Y177 I178 V186 I187	A154-I165 WeakPolarHBondContact O-CA 3.33Å; A154-L166 PolarHBondContact N-O 3Å; A154-L166 PolarHBondContact O-N 3.35Å; A154-L174 HydrophobicContact CB-CD2 3.81Å; A154-Y177 HydrophobicContact CB-CD1 4.15Å; A154-Y177 HydrophobicContact CB-CE1 4.42Å; A154-I178 HydrophobicContact CB-CD1 4.11Å; A154-I178 HydrophobicContact CB-CG1 4.24Å; A154-V186 WeakPolarHBondContact CA-O 3.41Å; A154-I187 HydrophobicContact CB-CG1 4.43Å
155	K	93.6	Very high	82.1	Confident	13 Å²	13	49.8 Å²	49.8	6%	0.057	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.5	179.9	54	-178.8	178.3	178.5	0	112.5	K79 I165 V186 I335	K79-K155 HydrophobicContact CD-CB 4.07Å; K79-K155 HydrophobicContact CD-CD 3.91Å; K79-K155 HydrophobicContact CD-CG 3.77Å; K155-I165 HydrophobicContact CB-CG1 4.41Å; K155-V186 PolarHBondContact N-O 2.97Å; K155-V186 PolarHBondContact O-N 3.48Å; K155-I335 PolarHBondContact NZ-O 3.35Å
156	S	89.9	Confident	82.2	Confident	4 Å²	4	43 Å²	43	3%	0.028	30%	0.296	C	S	.	.			trans	-116.5	163.7	173	64.2	0	0	0	0	113.1	K79 A158 G159 V184 H185	K79-S156 WeakPolarHBondContact CD-O 3.48Å; K79-S156 WeakPolarHBondContact CE-O 3.23Å; S156-A158 PolarHBondContact O-N 3.1Å; S156-G159 PolarHBondContact OG-N 3.08Å; S156-V184 WeakPolarHBondContact CB-O 3.32Å; S156-H185 VanDerWaalsContact CB-NE2 3.33Å; S156-H185 WeakPolarHBondContact CB-NE2 3.49Å; S156-H185 PolarHBondContact OG-NE2 3.33Å
157	S	83.1	Confident	82.5	Confident	44 Å²	44	39.5 Å²	39.5	31%	0.308	27%	0.272	S	S	.	.	S	Bend	trans	-76.9	-7.9	174	-57.9	0	0	0	0	113.5	K79	K79-S157 PolarHBondContact N-OG 3.28Å
158	A	71.5	Confident	83	Confident	60 Å²	60	36.3 Å²	36.3	50%	0.496	24%	0.239	S	C	.	.	S	Bend	trans	-92	-16.9	178.2	0	0	0	0	0	112.5	S156 A160 Q183	S156-A158 PolarHBondContact O-N 3.1Å; A158-A160 PolarHBondContact O-N 3.44Å; A158-A160 VanDerWaalsContact O-N 3.09Å; A158-Q183 HydrophobicContact CB-CG 4.36Å
159	G	60.7	Low	83.7	Confident	32 Å²	32	37 Å²	37	33%	0.33	24%	0.241	S	C	.	.			trans	-63.3	107.1	175	0	0	0	0	0	111.4	S156 A163	S156-G159 PolarHBondContact OG-N 3.08Å; G159-A163 WeakPolarHBondContact CA-O 3.25Å
160	A	57.9	Low	84.4	Confident	69 Å²	69	38.2 Å²	38.2	57%	0.57	24%	0.241	S	C	*	.			trans	-91.1	143.6	171	0	0	0	0	0	109.8	A158 G162 A163	A158-A160 PolarHBondContact O-N 3.44Å; A158-A160 VanDerWaalsContact O-N 3.09Å; A160-G162 VanDerWaalsContact C-N 3.26Å; A160-G162 PolarHBondContact O-N 3.41Å; A160-G162 VanDerWaalsContact O-N 3.14Å; A160-A163 WeakPolarHBondContact O-CB 3.25Å; A160-A163 PolarHBondContact O-N 3Å; A160-A163 VanDerWaalsContact O-N 3.11Å
161	K	59.5	Low	84.8	Confident	168 Å²	168	36.8 Å²	36.8	73%	0.73	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	29.8	169.5	-55	-179.2	178.6	-178	0	116	A163 C249	K161-A163 VanDerWaalsContact C-N 3.34Å; K161-C249 VanDerWaalsContact CA-SG 3.53Å; K161-C249 HydrophobicContact CB-CB 4.45Å
162	G	59.6	Low	84.7	Confident	19 Å²	19	40.7 Å²	40.7	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-9.8	179.8	0	0	0	0	0	115.6	A160 I250	A160-G162 VanDerWaalsContact C-N 3.26Å; A160-G162 PolarHBondContact O-N 3.41Å; A160-G162 VanDerWaalsContact O-N 3.14Å; G162-I250 VanDerWaalsContact CA-CD1 3.49Å
163	A	67.9	Low	84.6	Confident	67 Å²	67	44.2 Å²	44.2	55%	0.554	27%	0.269	S	S	*	.			trans	-67.4	150.1	167	0	0	0	0	0	109.9	G159 A160 K161	G159-A163 WeakPolarHBondContact CA-O 3.25Å; A160-A163 WeakPolarHBondContact O-CB 3.25Å; A160-A163 PolarHBondContact O-N 3Å; A160-A163 VanDerWaalsContact O-N 3.11Å; K161-A163 VanDerWaalsContact C-N 3.34Å
164	G	81.4	Confident	84.6	Confident	19 Å²	19	43.3 Å²	43.3	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	85.3	23.9	178.2	0	0	0	0	0	114.2	Y177	G164-Y177 WeakPolarHBondContact CA-OH 3.08Å
165	I	91.1	Very high	84.6	Confident	40 Å²	40	43.7 Å²	43.7	21%	0.205	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.4	178.3	-59.1	177.3	0	0	0	109.7	I153 A154 K155 I167 Y177 M241 L245	I153-I165 HydrophobicContact CD1-CG2 3.62Å; I153-I165 HydrophobicContact CG1-CG2 3.72Å; A154-I165 WeakPolarHBondContact O-CA 3.33Å; K155-I165 HydrophobicContact CB-CG1 4.41Å; I165-I167 HydrophobicContact CG2-CG1 4.48Å; I165-Y177 PolarHBondContact N-OH 3.46Å; I165-M241 HydrophobicContact CB-CE 4.43Å; I165-M241 HydrophobicContact CG2-CE 3.81Å; I165-L245 HydrophobicContact CD1-CD1 4.06Å; I165-L245 HydrophobicContact CD1-CD2 4.22Å; I165-L245 HydrophobicContact CG2-CD1 4.46Å; I165-L245 HydrophobicContact CG2-CD2 4.26Å
166	L	94.7	Very high	84.7	Confident	24 Å²	24	47.6 Å²	47.6	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.1	168.2	175.6	65.5	0	0	0	108.8	I153 A154 Q173 L174 Y177	I153-L166 CarbonylContact C-O 3.51Å; I153-L166 WeakPolarHBondContact CA-O 3.28Å; A154-L166 PolarHBondContact N-O 3Å; A154-L166 PolarHBondContact O-N 3.35Å; L166-Q173 HydrophobicContact CD2-CG 4.08Å; L166-L174 HydrophobicContact CB-CD2 4.42Å; L166-L174 HydrophobicContact CD2-CD2 4.06Å; L166-L174 HydrophobicContact CG-CD2 4.06Å; L166-Y177 HydrophobicContact CB-CD1 3.93Å; L166-Y177 HydrophobicContact CB-CD2 4.19Å; L166-Y177 HydrophobicContact CB-CE1 4.08Å; L166-Y177 HydrophobicContact CB-CE2 4.32Å; L166-Y177 HydrophobicContact CB-CG 3.98Å; L166-Y177 VanDerWaalsContact CD2-CB 3.44Å; L166-Y177 HydrophobicContact CD2-CD1 4.25Å; L166-Y177 HydrophobicContact CD2-CD2 4.07Å; L166-Y177 HydrophobicContact CD2-CG 3.66Å; L166-Y177 HydrophobicContact CG-CG 4.46Å
167	I	96.5	Very high	84.9	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	170	-57.7	165.8	0	0	0	107.1	V151 W152 I153 I165 Y190 L238 M241 H244 L245	V151-I167 HydrophobicContact CG1-CG2 3.58Å; W152-I167 WeakPolarHBondContact O-CA 3.22Å; I153-I167 HydrophobicContact CB-CG1 4.1Å; I153-I167 HydrophobicContact CD1-CD1 4.37Å; I153-I167 HydrophobicContact CD1-CG1 3.97Å; I153-I167 HydrophobicContact CG1-CG1 3.88Å; I165-I167 HydrophobicContact CG2-CG1 4.48Å; I167-Y190 HydrophobicContact CD1-CD2 4.22Å; I167-Y190 HydrophobicContact CD1-CE2 3.65Å; I167-Y190 HydrophobicContact CG1-CD2 4.34Å; I167-Y190 HydrophobicContact CG1-CE2 4.26Å; I167-Y190 HydrophobicContact CG2-CD1 4.39Å; I167-Y190 HydrophobicContact CG2-CD2 4.12Å; I167-Y190 HydrophobicContact CG2-CE2 4.35Å; I167-Y190 HydrophobicContact CG2-CG 4.14Å; I167-L238 HydrophobicContact CG2-CB 4.41Å; I167-L238 HydrophobicContact CG2-CD1 4.27Å; I167-L238 HydrophobicContact CG2-CD2 4.02Å; I167-L238 HydrophobicContact CG2-CG 4.46Å; I167-M241 HydrophobicContact CD1-CE 3.63Å; I167-M241 HydrophobicContact CD1-SD 4.05Å; I167-M241 HydrophobicContact CG1-CE 3.91Å; I167-M241 HydrophobicContact CG1-SD 4.34Å; I167-H244 HydrophobicContact CD1-CB 3.76Å; I167-L245 HydrophobicContact CD1-CD2 4.34Å
168	S	96.6	Very high	85.4	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.4	179.8	-172.5	0	0	0	0	112.1	W152 D170 Q173	W152-S168 PolarHBondContact N-O 2.78Å; W152-S168 PolarHBondContact O-N 3.25Å; S168-D170 PolarHBondContact OG-N 3.19Å; S168-Q173 VanDerWaalsContact CB-OE1 3.25Å; S168-Q173 PolarHBondContact OG-OE1 3.3Å
169	H	95.3	Very high	86.4	Confident	114 Å²	114	46.2 Å²	46.2	53%	0.528	27%	0.265	S	S	.	.	S	Bend	trans	-87.2	-11.7	166.6	60.7	-91	0	0	0	112.3	Y140 T150	Y140-H169 WeakPolarHBondContact CE2-O 3.43Å; Y140-H169 PolarHBondContact OH-O 3Å; T150-H169 WeakPolarHBondContact O-CA 2.84Å
170	D	95.4	Very high	87.8	Confident	59 Å²	59	51 Å²	51	32%	0.316	28%	0.283	S	S	.	.			trans	-101.7	114.9	-177.7	-175.5	1.1	0	0	0	111.3	S168 N172 Q173 L174	S168-D170 PolarHBondContact OG-N 3.19Å; D170-N172 VanDerWaalsContact C-N 3.28Å; D170-N172 PolarHBondContact O-N 2.98Å; D170-N172 WeakPolarHBondContact OD1-CB 3.33Å; D170-N172 PolarHBondContact OD1-N 3.35Å; D170-Q173 HydrophobicContact CB-CB 4.02Å; D170-Q173 PolarHBondContact O-N 3.41Å; D170-L174 WeakPolarHBondContact O-CG 3.48Å; D170-L174 PolarHBondContact O-N 3.07Å
171	A	96.7	Very high	89.1	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-37.1	175.5	0	0	0	0	0	113	F136 L137 Y140 L174 L175	F136-A171 HydrophobicContact CE1-CB 3.82Å; F136-A171 HydrophobicContact CZ-CB 3.84Å; L137-A171 HydrophobicContact CD2-CB 4.05Å; Y140-A171 HydrophobicContact CD1-CB 3.78Å; Y140-A171 HydrophobicContact CD2-CB 3.92Å; Y140-A171 HydrophobicContact CE1-CB 3.7Å; Y140-A171 HydrophobicContact CE2-CB 3.88Å; Y140-A171 HydrophobicContact CG-CB 3.89Å; A171-L174 PolarHBondContact O-N 2.96Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.4Å; A171-L175 PolarHBondContact O-N 2.96Å
172	N	95.9	Very high	90.2	Very high	98 Å²	98	44.9 Å²	44.9	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-44.2	-179.2	-66	-35.1	0	0	0	110.6	D170 L174 L175 D176	D170-N172 VanDerWaalsContact C-N 3.28Å; D170-N172 PolarHBondContact O-N 2.98Å; D170-N172 WeakPolarHBondContact OD1-CB 3.33Å; D170-N172 PolarHBondContact OD1-N 3.35Å; N172-L174 VanDerWaalsContact C-N 3.26Å; N172-L174 PolarHBondContact O-N 3.25Å; N172-L175 PolarHBondContact O-N 2.91Å; N172-L175 VanDerWaalsContact O-N 3.16Å; N172-D176 WeakPolarHBondContact O-CB 3.49Å; N172-D176 VanDerWaalsContact O-CG 3.28Å; N172-D176 PolarHBondContact O-N 2.9Å
173	Q	96.2	Very high	91.5	Very high	74 Å²	74	47.4 Å²	47.4	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-39.8	175.9	-164.1	-171.5	18.4	0	0	112.1	L166 S168 D170 Y177	L166-Q173 HydrophobicContact CD2-CG 4.08Å; S168-Q173 VanDerWaalsContact CB-OE1 3.25Å; S168-Q173 PolarHBondContact OG-OE1 3.3Å; D170-Q173 HydrophobicContact CB-CB 4.02Å; D170-Q173 PolarHBondContact O-N 3.41Å; Q173-Y177 WeakPolarHBondContact O-CB 3.4Å; Q173-Y177 PolarHBondContact O-N 2.83Å
174	L	96.8	Very high	92.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-43.7	176.7	-67.7	162.1	0	0	0	112.2	F136 W152 A154 L166 D170 A171 N172 Y177 I178 I187	F136-L174 HydrophobicContact CZ-CD1 4.42Å; W152-L174 HydrophobicContact CB-CD1 3.65Å; W152-L174 HydrophobicContact CG-CD1 4.44Å; A154-L174 HydrophobicContact CB-CD2 3.81Å; L166-L174 HydrophobicContact CB-CD2 4.42Å; L166-L174 HydrophobicContact CD2-CD2 4.06Å; L166-L174 HydrophobicContact CG-CD2 4.06Å; D170-L174 WeakPolarHBondContact O-CG 3.48Å; D170-L174 PolarHBondContact O-N 3.07Å; A171-L174 PolarHBondContact O-N 2.96Å; N172-L174 VanDerWaalsContact C-N 3.26Å; N172-L174 PolarHBondContact O-N 3.25Å; L174-Y177 WeakPolarHBondContact O-CB 3.32Å; L174-I178 WeakPolarHBondContact O-CD1 3.5Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 2.9Å; L174-I178 VanDerWaalsContact O-N 3.11Å; L174-I187 HydrophobicContact CB-CD1 4.05Å
175	L	96.1	Very high	93.2	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-47	179.8	-70	176.9	0	0	0	111.6	I105 R133 F136 L137 A171 N172 Y177 I178 D179 I187	I105-L175 HydrophobicContact CG2-CD2 4.03Å; R133-L175 HydrophobicContact CG-CD1 4.06Å; R133-L175 HydrophobicContact CG-CD2 3.9Å; F136-L175 HydrophobicContact CD1-CD2 4.16Å; F136-L175 HydrophobicContact CE1-CD1 4.4Å; F136-L175 HydrophobicContact CE1-CD2 4.27Å; F136-L175 HydrophobicContact CE1-CG 4.21Å; L137-L175 HydrophobicContact CD1-CD1 4.2Å; L137-L175 HydrophobicContact CD2-CD1 3.89Å; L137-L175 HydrophobicContact CG-CD1 4.18Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.4Å; A171-L175 PolarHBondContact O-N 2.96Å; N172-L175 PolarHBondContact O-N 2.91Å; N172-L175 VanDerWaalsContact O-N 3.16Å; L175-Y177 VanDerWaalsContact C-N 3.29Å; L175-Y177 PolarHBondContact O-N 3.04Å; L175-I178 PolarHBondContact O-N 3.12Å; L175-I178 VanDerWaalsContact O-N 3.09Å; L175-D179 PolarHBondContact O-N 3.05Å; L175-I187 HydrophobicContact CD2-CD1 3.99Å
176	D	95.4	Very high	93.5	Very high	95 Å²	95	43.6 Å²	43.6	51%	0.508	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-41.7	175.2	-70.8	-17.5	0	0	0	111	N172 I178 D179 N180	N172-D176 WeakPolarHBondContact O-CB 3.49Å; N172-D176 VanDerWaalsContact O-CG 3.28Å; N172-D176 PolarHBondContact O-N 2.9Å; D176-I178 VanDerWaalsContact C-N 3.3Å; D176-I178 PolarHBondContact O-N 3.32Å; D176-D179 PolarHBondContact O-N 3.43Å; D176-N180 PolarHBondContact O-N 2.69Å; D176-N180 VanDerWaalsContact O-N 3.11Å; D176-N180 PolarHBondContact O-ND2 3.27Å
177	Y	94.5	Very high	93.6	Very high	53 Å²	53	42.4 Å²	42.4	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-46.6	174.3	172.7	-98.6	0	0	0	111.5	A154 G164 I165 L166 Q173 L174 L175 N180 Q181	A154-Y177 HydrophobicContact CB-CD1 4.15Å; A154-Y177 HydrophobicContact CB-CE1 4.42Å; G164-Y177 WeakPolarHBondContact CA-OH 3.08Å; I165-Y177 PolarHBondContact N-OH 3.46Å; L166-Y177 HydrophobicContact CB-CD1 3.93Å; L166-Y177 HydrophobicContact CB-CD2 4.19Å; L166-Y177 HydrophobicContact CB-CE1 4.08Å; L166-Y177 HydrophobicContact CB-CE2 4.32Å; L166-Y177 HydrophobicContact CB-CG 3.98Å; L166-Y177 VanDerWaalsContact CD2-CB 3.44Å; L166-Y177 HydrophobicContact CD2-CD1 4.25Å; L166-Y177 HydrophobicContact CD2-CD2 4.07Å; L166-Y177 HydrophobicContact CD2-CG 3.66Å; L166-Y177 HydrophobicContact CG-CG 4.46Å; Q173-Y177 WeakPolarHBondContact O-CB 3.4Å; Q173-Y177 PolarHBondContact O-N 2.83Å; L174-Y177 WeakPolarHBondContact O-CB 3.32Å; L175-Y177 VanDerWaalsContact C-N 3.29Å; L175-Y177 PolarHBondContact O-N 3.04Å; Y177-N180 PolarHBondContact O-N 3.47Å; Y177-Q181 HydrophobicContact CE1-CG 4.46Å; Y177-Q181 WeakPolarHBondContact O-CG 3.44Å; Y177-Q181 PolarHBondContact O-NE2 3.48Å
178	I	93.8	Very high	93.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-40.8	-180	-66.8	165.7	0	0	0	111.5	I105 P107 A154 L174 L175 D176 N180 Q181 H185 I187	I105-I178 HydrophobicContact CB-CD1 4Å; I105-I178 HydrophobicContact CB-CG2 4.36Å; I105-I178 HydrophobicContact CG1-CD1 4.29Å; I105-I178 HydrophobicContact CG2-CD1 4.07Å; I105-I178 HydrophobicContact CG2-CG2 3.91Å; P107-I178 HydrophobicContact CG-CG2 4.16Å; P107-I178 WeakPolarHBondContact CG-O 3.43Å; A154-I178 HydrophobicContact CB-CD1 4.11Å; A154-I178 HydrophobicContact CB-CG1 4.24Å; L174-I178 WeakPolarHBondContact O-CD1 3.5Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 2.9Å; L174-I178 VanDerWaalsContact O-N 3.11Å; L175-I178 PolarHBondContact O-N 3.12Å; L175-I178 VanDerWaalsContact O-N 3.09Å; D176-I178 VanDerWaalsContact C-N 3.3Å; D176-I178 PolarHBondContact O-N 3.32Å; I178-N180 PolarHBondContact O-N 2.99Å; I178-Q181 WeakPolarHBondContact O-CA 3.29Å; I178-Q181 VanDerWaalsContact O-CB 3.23Å; I178-Q181 WeakPolarHBondContact O-CB 3.42Å; I178-Q181 WeakPolarHBondContact O-CG 3.27Å; I178-Q181 PolarHBondContact O-N 3.27Å; I178-H185 HydrophobicContact CD1-CB 3.81Å; I178-H185 HydrophobicContact CG1-CB 3.75Å; I178-H185 HydrophobicContact CG2-CB 4Å; I178-I187 HydrophobicContact CD1-CD1 3.74Å; I178-I187 HydrophobicContact CD1-CG1 3.55Å
179	D	92.2	Very high	93.7	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-29.9	179	-76.6	-38.6	0	0	0	112.7	T108 R133 L175 D176 Q181	T108-D179 WeakPolarHBondContact CB-OD1 3.3Å; T108-D179 WeakPolarHBondContact CG2-OD1 3.48Å; T108-D179 PolarHBondContact N-OD1 3.46Å; T108-D179 VanDerWaalsContact OG1-CG 3.29Å; T108-D179 PolarHBondContact OG1-OD1 3.49Å; R133-D179 IonicContact CZ-OD1 3.28Å; R133-D179 IonicContact CZ-OD2 3.72Å; R133-D179 IonicContact NH1-OD1 3.95Å; R133-D179 IonicContact NH1-OD2 2.71Å; R133-D179 PolarHBondContact NH1-OD2 2.65Å; R133-D179 VanDerWaalsContact NH2-CG 3.28Å; R133-D179 IonicContact NH2-OD1 2.75Å; R133-D179 PolarHBondContact NH2-OD1 2.84Å; R133-D179 IonicContact NH2-OD2 2.86Å; R133-D179 PolarHBondContact NH2-OD2 2.96Å; R133-D179 VanDerWaalsContact NH2-OD2 3.1Å; L175-D179 PolarHBondContact O-N 3.05Å; D176-D179 PolarHBondContact O-N 3.43Å; D179-Q181 PolarHBondContact O-N 2.84Å
180	N	89.8	Confident	93.9	Very high	133 Å²	133	39.5 Å²	39.5	71%	0.711	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1.7	171.4	-69.9	-55.1	0	0	0	113.6	D176 Y177 I178	D176-N180 PolarHBondContact O-N 2.69Å; D176-N180 VanDerWaalsContact O-N 3.11Å; D176-N180 PolarHBondContact O-ND2 3.27Å; Y177-N180 PolarHBondContact O-N 3.47Å; I178-N180 PolarHBondContact O-N 2.99Å
181	Q	86.3	Confident	93.9	Very high	45 Å²	45	38.2 Å²	38.2	21%	0.21	21%	0.208	C	C	.	.	S	Bend	trans	-100.3	156.1	174.3	-46.7	-58.4	-46.8	0	0	111.4	P107 Y177 I178 D179 H185	P107-Q181 VanDerWaalsContact CB-O 3.25Å; P107-Q181 WeakPolarHBondContact CB-O 3.47Å; P107-Q181 WeakPolarHBondContact CG-O 3.38Å; Y177-Q181 HydrophobicContact CE1-CG 4.46Å; Y177-Q181 WeakPolarHBondContact O-CG 3.44Å; Y177-Q181 PolarHBondContact O-NE2 3.48Å; I178-Q181 WeakPolarHBondContact O-CA 3.29Å; I178-Q181 VanDerWaalsContact O-CB 3.23Å; I178-Q181 WeakPolarHBondContact O-CB 3.42Å; I178-Q181 WeakPolarHBondContact O-CG 3.27Å; I178-Q181 PolarHBondContact O-N 3.27Å; D179-Q181 PolarHBondContact O-N 2.84Å; Q181-H185 VanDerWaalsContact CB-CE1 3.43Å; Q181-H185 WeakPolarHBondContact CB-CE1 3.29Å; Q181-H185 WeakPolarHBondContact CG-CE1 3.38Å
182	G	82.9	Confident	93.9	Very high	62 Å²	62	41 Å²	41	64%	0.639	22%	0.221	S	C	*	.	S	Bend	trans	-92.4	13.5	176.4	0	0	0	0	0	114.9
183	Q	86	Confident	94	Very high	72 Å²	72	42.5 Å²	42.5	34%	0.336	22%	0.223	S	C	.	.	S	Bend	trans	-152.2	158	-168.5	64.9	-132.3	-14	0	0	113.8	P107 A158 H185	P107-Q183 VanDerWaalsContact CD-O 3.29Å; P107-Q183 WeakPolarHBondContact CD-O 3.29Å; P107-Q183 WeakPolarHBondContact CG-O 3.36Å; A158-Q183 HydrophobicContact CB-CG 4.36Å; Q183-H185 PolarHBondContact O-CE1 3.29Å; Q183-H185 PolarHBondContact O-ND1 3.24Å
184	V	91.1	Very high	94.1	Very high	43 Å²	43	39.3 Å²	39.3	26%	0.261	21%	0.208	S	C	.	.			trans	-59.9	138.5	176.9	66.8	0	0	0	0	112.4	A80 I104 Y106 S156	A80-V184 HydrophobicContact CB-CG1 4.24Å; A80-V184 HydrophobicContact CB-CG2 4.08Å; I104-V184 HydrophobicContact CG2-CG2 3.53Å; Y106-V184 HydrophobicContact CD1-CB 4.06Å; Y106-V184 HydrophobicContact CD1-CG2 4.06Å; Y106-V184 HydrophobicContact CD2-CG2 4.31Å; Y106-V184 HydrophobicContact CE1-CB 3.92Å; Y106-V184 HydrophobicContact CE1-CG2 3.82Å; Y106-V184 HydrophobicContact CE2-CG2 4.08Å; Y106-V184 HydrophobicContact CG-CG2 4.3Å; S156-V184 WeakPolarHBondContact CB-O 3.32Å
185	H	94	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	162.9	176.2	-76.3	68.2	0	0	0	111.1	I105 S156 I178 Q181 Q183	I105-H185 PolarHBondContact N-O 3.17Å; I105-H185 PolarHBondContact O-N 2.82Å; S156-H185 VanDerWaalsContact CB-NE2 3.33Å; S156-H185 WeakPolarHBondContact CB-NE2 3.49Å; S156-H185 PolarHBondContact OG-NE2 3.33Å; I178-H185 HydrophobicContact CD1-CB 3.81Å; I178-H185 HydrophobicContact CG1-CB 3.75Å; I178-H185 HydrophobicContact CG2-CB 4Å; Q181-H185 VanDerWaalsContact CB-CE1 3.43Å; Q181-H185 WeakPolarHBondContact CB-CE1 3.29Å; Q181-H185 WeakPolarHBondContact CG-CE1 3.38Å; Q183-H185 PolarHBondContact O-CE1 3.29Å; Q183-H185 PolarHBondContact O-ND1 3.24Å
186	V	96.4	Very high	94.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.1	164	173.1	0	0	0	0	107.7	K79 A80 V83 Y103 A154 K155 Q188	K79-V186 HydrophobicContact CB-CG2 4.01Å; A80-V186 HydrophobicContact CB-CG2 4.24Å; V83-V186 HydrophobicContact CG2-CB 4.43Å; V83-V186 HydrophobicContact CG2-CG1 3.71Å; V83-V186 HydrophobicContact CG2-CG2 3.8Å; Y103-V186 CarbonylContact O-C 3.47Å; Y103-V186 VanDerWaalsContact O-CA 3.23Å; Y103-V186 WeakPolarHBondContact O-CA 3.44Å; A154-V186 WeakPolarHBondContact CA-O 3.41Å; K155-V186 PolarHBondContact N-O 2.97Å; K155-V186 PolarHBondContact O-N 3.48Å; V186-Q188 HydrophobicContact CG1-CB 4.08Å
187	I	98.1	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.3	159.4	-64.9	-178.3	0	0	0	106.8	S102 Y103 I105 F136 W152 I153 A154 L174 L175 I178	S102-I187 CarbonylContact C-O 3.51Å; S102-I187 VanDerWaalsContact CA-O 3.29Å; S102-I187 WeakPolarHBondContact CA-O 3.41Å; Y103-I187 PolarHBondContact N-O 2.89Å; Y103-I187 PolarHBondContact O-N 3.34Å; I105-I187 HydrophobicContact CG1-CB 4.39Å; I105-I187 HydrophobicContact CG1-CD1 3.82Å; I105-I187 HydrophobicContact CG1-CG1 3.86Å; F136-I187 HydrophobicContact CD1-CD1 3.83Å; F136-I187 HydrophobicContact CD2-CG2 3.9Å; F136-I187 HydrophobicContact CE1-CD1 3.6Å; F136-I187 HydrophobicContact CE2-CD1 4.37Å; F136-I187 HydrophobicContact CE2-CG2 3.55Å; F136-I187 HydrophobicContact CG-CD1 4.29Å; F136-I187 HydrophobicContact CZ-CD1 3.9Å; F136-I187 HydrophobicContact CZ-CG2 3.93Å; W152-I187 HydrophobicContact CB-CG2 3.89Å; W152-I187 HydrophobicContact CD2-CG2 4.22Å; W152-I187 HydrophobicContact CE3-CG2 3.8Å; W152-I187 HydrophobicContact CG-CG2 4.27Å; I153-I187 WeakPolarHBondContact O-CA 3.47Å; A154-I187 HydrophobicContact CB-CG1 4.43Å; L174-I187 HydrophobicContact CB-CD1 4.05Å; L175-I187 HydrophobicContact CD2-CD1 3.99Å; I178-I187 HydrophobicContact CD1-CD1 3.74Å; I178-I187 HydrophobicContact CD1-CG1 3.55Å
188	Q	98.1	Very high	94.6	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.8	-178.9	177.9	169.9	84	0	0	109.8	P100 E101 S102 W152 I153 V186 Y190	P100-Q188 HydrophobicContact CB-CG 3.7Å; P100-Q188 HydrophobicContact CG-CG 4.42Å; E101-Q188 CarbonylContact O-C 3.28Å; E101-Q188 WeakPolarHBondContact O-CA 3.48Å; S102-Q188 VanDerWaalsContact OG-CG 3.27Å; S102-Q188 WeakPolarHBondContact OG-CG 3.46Å; S102-Q188 PolarHBondContact OG-NE2 3.32Å; W152-Q188 WeakPolarHBondContact CA-O 3.43Å; W152-Q188 VanDerWaalsContact CE3-C 3.46Å; I153-Q188 HydrophobicContact CG2-CB 4.14Å; I153-Q188 VanDerWaalsContact CG2-O 3.3Å; I153-Q188 WeakPolarHBondContact CG2-O 3.47Å; I153-Q188 PolarHBondContact N-O 2.9Å; I153-Q188 PolarHBondContact O-N 3.37Å; V186-Q188 HydrophobicContact CG1-CB 4.08Å; Q188-Y190 PolarHBondContact O-N 2.91Å
189	K	97.8	Very high	94.8	Very high	40 Å²	40	42.3 Å²	42.3	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124	176.7	-177.9	70.1	-170.7	77.5	0	108.9	P100 E101 G149 V151 W152 E192	P100-K189 HydrophobicContact CB-CB 4.48Å; E101-K189 HydrophobicContact CB-CB 4.17Å; E101-K189 PolarHBondContact O-N 3.04Å; G149-K189 WeakPolarHBondContact O-CE 3.45Å; G149-K189 PolarHBondContact O-NZ 2.77Å; V151-K189 PolarHBondContact O-NZ 3.43Å; W152-K189 HydrophobicContact CD2-CD 4.18Å; W152-K189 VanDerWaalsContact CE3-CA 3.42Å; W152-K189 HydrophobicContact CE3-CB 4.01Å; W152-K189 HydrophobicContact CE3-CD 4.36Å; W152-K189 VanDerWaalsContact CE3-N 3.26Å; W152-K189 HydrophobicContact CH2-CB 4.31Å; W152-K189 HydrophobicContact CH2-CD 4.16Å; W152-K189 HydrophobicContact CZ2-CD 4Å; W152-K189 HydrophobicContact CZ3-CB 3.82Å; W152-K189 HydrophobicContact CZ3-CD 4.34Å; K189-E192 IonicContact NZ-OE1 3.1Å; K189-E192 PolarHBondContact NZ-OE1 2.75Å
190	Y	97.7	Very high	95	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.039	23%	0.233	C	C	.	.			trans	-75.6	135.2	176.9	-173.6	-105.9	0	0	0	109.6	V151 I153 I167 Q188 E192 K203 H244	V151-Y190 HydrophobicContact CB-CD1 4.29Å; V151-Y190 HydrophobicContact CG1-CD1 3.74Å; V151-Y190 HydrophobicContact CG1-CG 3.99Å; V151-Y190 WeakPolarHBondContact O-CB 3.47Å; V151-Y190 PolarHBondContact O-N 3.34Å; I153-Y190 HydrophobicContact CB-CD2 4.16Å; I153-Y190 HydrophobicContact CG2-CD2 4.25Å; I167-Y190 HydrophobicContact CD1-CD2 4.22Å; I167-Y190 HydrophobicContact CD1-CE2 3.65Å; I167-Y190 HydrophobicContact CG1-CD2 4.34Å; I167-Y190 HydrophobicContact CG1-CE2 4.26Å; I167-Y190 HydrophobicContact CG2-CD1 4.39Å; I167-Y190 HydrophobicContact CG2-CD2 4.12Å; I167-Y190 HydrophobicContact CG2-CE2 4.35Å; I167-Y190 HydrophobicContact CG2-CG 4.14Å; Q188-Y190 PolarHBondContact O-N 2.91Å; Y190-E192 HydrophobicContact CD1-CG 4.12Å; Y190-E192 PolarHBondContact O-N 2.88Å; Y190-E192 VanDerWaalsContact O-N 3.08Å; Y190-K203 PolarHBondContact OH-NZ 3.39Å; Y190-H244 WeakPolarHBondContact OH-CB 3.38Å; Y190-H244 PolarHBondContact OH-ND1 2.95Å
191	L	97	Very high	95.4	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.162	22%	0.218	C	C	.	.			trans	-78.7	91.8	177.4	-168.3	73	0	0	0	109	K193 P194 M325 D327 W333	L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3.48Å; L191-P194 HydrophobicContact CD2-CB 4.42Å; L191-M325 HydrophobicContact CD2-CB 3.73Å; L191-M325 HydrophobicContact CD2-CE 3.98Å; L191-M325 HydrophobicContact CD2-CG 4.45Å; L191-D327 HydrophobicContact CD1-CB 4.05Å; L191-D327 HydrophobicContact CD2-CB 4.08Å; L191-D327 HydrophobicContact CG-CB 4.4Å; L191-W333 HydrophobicContact CD1-CG 4.38Å
192	E	95.9	Very high	96	Very high	61 Å²	61	37.8 Å²	37.8	29%	0.285	21%	0.209	S	C	.	.	S	Bend	trans	-70.5	-26.1	-173.4	-69.9	174.8	-121.9	0	0	113.5	G149 V151 K189 Y190 P194 Y233	G149-E192 VanDerWaalsContact CA-OE1 3.27Å; G149-E192 WeakPolarHBondContact CA-OE1 3.5Å; V151-E192 HydrophobicContact CB-CG 3.79Å; V151-E192 HydrophobicContact CG2-CG 3.93Å; V151-E192 PolarHBondContact N-OE1 3.02Å; K189-E192 IonicContact NZ-OE1 3.1Å; K189-E192 PolarHBondContact NZ-OE1 2.75Å; Y190-E192 HydrophobicContact CD1-CG 4.12Å; Y190-E192 PolarHBondContact O-N 2.88Å; Y190-E192 VanDerWaalsContact O-N 3.08Å; E192-P194 WeakPolarHBondContact O-CD 2.99Å; E192-Y233 PolarHBondContact O-OH 2.84Å
193	K	97.3	Very high	96.7	Very high	130 Å²	130	35.5 Å²	35.5	57%	0.565	18%	0.181	S	C	*	.	S	Bend	trans	-117.8	65	-178.8	-55.4	-167.1	-175.8	-176.4	0	111.8	L191 D327 E328	L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3.48Å; K193-D327 WeakPolarHBondContact O-CA 3.46Å; K193-D327 WeakPolarHBondContact O-CB 3.45Å; K193-E328 HydrophobicContact CB-CG 4.15Å; K193-E328 VanDerWaalsContact CD-CD 3.46Å; K193-E328 WeakPolarHBondContact CD-OE1 3.25Å; K193-E328 IonicContact NZ-OE1 2.78Å; K193-E328 PolarHBondContact NZ-OE1 3.12Å; K193-E328 PolarHBondContact O-N 3Å
194	P	98.3	Very high	97.3	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.045	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-66.6	156.2	175.7	32.5	-36.1	0	0	0	110.5	L191 E192 L196 K203 Y233 M325	L191-P194 HydrophobicContact CD2-CB 4.42Å; E192-P194 WeakPolarHBondContact O-CD 2.99Å; P194-L196 HydrophobicContact CG-CD2 3.77Å; P194-L196 HydrophobicContact CG-CG 4.22Å; P194-L196 PolarHBondContact O-N 2.95Å; P194-K203 HydrophobicContact CB-CG 4.36Å; P194-K203 HydrophobicContact CG-CG 4.41Å; P194-Y233 HydrophobicContact CG-CD1 4.46Å; P194-Y233 HydrophobicContact CG-CD2 4.39Å; P194-Y233 HydrophobicContact CG-CE1 4.13Å; P194-Y233 HydrophobicContact CG-CE2 4.04Å; P194-M325 HydrophobicContact CB-CE 3.6Å
195	L	98.7	Very high	97.7	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	16%	0.156	C	C	.	.			trans	-63.7	130.3	159.5	-179	59.6	0	0	0	107.8	F204 L276 V326 F330	L195-F204 HydrophobicContact CB-CE1 4.12Å; L195-F204 HydrophobicContact CB-CZ 4.3Å; L195-F204 HydrophobicContact CD2-CE1 4.27Å; L195-F204 HydrophobicContact CD2-CZ 4Å; L195-F204 HydrophobicContact CG-CE1 4.04Å; L195-F204 HydrophobicContact CG-CZ 4.25Å; L195-F204 WeakPolarHBondContact O-CE1 3.48Å; L195-L276 HydrophobicContact CD2-CD2 4.22Å; L195-V326 HydrophobicContact CB-CB 4.27Å; L195-V326 HydrophobicContact CB-CG1 4.19Å; L195-V326 HydrophobicContact CD2-CB 4.48Å; L195-V326 HydrophobicContact CD2-CG1 4Å; L195-V326 PolarHBondContact N-O 3.19Å; L195-F330 HydrophobicContact CD1-CE1 4.01Å; L195-F330 HydrophobicContact CD1-CZ 4.37Å; L195-F330 HydrophobicContact CD2-CD1 3.85Å; L195-F330 HydrophobicContact CD2-CE1 3.69Å
196	L	98.7	Very high	97.9	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.131	16%	0.155	C	C	.	.			trans	-111.9	134.7	-178.2	-64.6	171.8	0	0	0	109.8	P194 H201 R202 K203 Y233 Y275	P194-L196 HydrophobicContact CG-CD2 3.77Å; P194-L196 HydrophobicContact CG-CG 4.22Å; P194-L196 PolarHBondContact O-N 2.95Å; L196-H201 WeakPolarHBondContact CD1-CE1 3.43Å; L196-H201 WeakPolarHBondContact CD1-NE2 3.34Å; L196-R202 CarbonylContact C-O 3.59Å; L196-R202 WeakPolarHBondContact CA-O 3.43Å; L196-R202 VanDerWaalsContact CD2-C 3.5Å; L196-K203 HydrophobicContact CD2-CB 4.22Å; L196-Y233 HydrophobicContact CD1-CD1 3.93Å; L196-Y233 HydrophobicContact CD1-CG 4.34Å; L196-Y233 HydrophobicContact CD2-CD1 4.15Å; L196-Y233 HydrophobicContact CD2-CD2 4.45Å; L196-Y233 HydrophobicContact CD2-CG 3.83Å; L196-Y275 PolarHBondContact O-OH 2.92Å; L196-Y275 VanDerWaalsContact O-OH 3.06Å
197	L	98.8	Very high	98	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-77.5	132.7	175.1	-66.5	172.8	0	0	0	109.7	H201 R202 F204 T228 M267 F272 Y275	L197-H201 PolarHBondContact O-N 2.68Å; L197-R202 PolarHBondContact N-O 3.35Å; L197-R202 PolarHBondContact O-N 2.77Å; L197-F204 HydrophobicContact CD1-CB 4.14Å; L197-F204 HydrophobicContact CD1-CD1 3.88Å; L197-F204 HydrophobicContact CD1-CG 4.16Å; L197-F204 HydrophobicContact CD2-CD1 4.16Å; L197-F204 HydrophobicContact CD2-CE1 4.07Å; L197-F204 HydrophobicContact CG-CD1 3.59Å; L197-F204 HydrophobicContact CG-CE1 3.96Å; L197-F204 HydrophobicContact CG-CG 4.35Å; L197-T228 HydrophobicContact CD1-CG2 3.61Å; L197-M267 HydrophobicContact CD1-CE 4.12Å; L197-M267 HydrophobicContact CD1-SD 4.25Å; L197-M267 HydrophobicContact CD2-SD 4.31Å; L197-F272 HydrophobicContact CD2-CD2 4.35Å; L197-F272 HydrophobicContact CD2-CE2 4.18Å; L197-Y275 WeakPolarHBondContact CA-OH 2.86Å; L197-Y275 HydrophobicContact CD2-CD1 3.79Å; L197-Y275 HydrophobicContact CD2-CE1 3.57Å; L197-Y275 HydrophobicContact CD2-CE2 4.39Å; L197-Y275 HydrophobicContact CD2-CG 4.29Å
198	E	97.9	Very high	98	Very high	87 Å²	87	31.5 Å²	31.5	41%	0.407	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	143.1	170.2	-62.8	-60.7	169.8	0	0	111.3	G200 H201 Y275	E198-G200 PolarHBondContact OE2-N 2.84Å; E198-G200 VanDerWaalsContact OE2-N 3.11Å; E198-H201 WeakPolarHBondContact OE1-CA 3.13Å; E198-H201 IonicContact OE1-CG 2.55Å; E198-H201 IonicContact OE1-ND1 2.78Å; E198-H201 PolarHBondContact OE1-ND1 2.89Å; E198-H201 PolarHBondContact OE2-N 2.87Å; E198-Y275 PolarHBondContact N-OH 2.84Å; E198-Y275 VanDerWaalsContact O-CE2 3.26Å; E198-Y275 WeakPolarHBondContact O-CE2 3.05Å
199	P	97.5	Very high	98.1	Very high	97 Å²	97	31.2 Å²	31.2	63%	0.63	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	cis	-73.6	156.8	-2	31.8	-36.2	0	0	0	113.5	R202 Y261	P199-R202 PolarHBondContact O-NE 2.91Å; P199-R202 VanDerWaalsContact O-NE 3.16Å; P199-Y261 HydrophobicContact CG-CE1 4.45Å; P199-Y261 WeakPolarHBondContact O-CE1 3.25Å
200	G	97.3	Very high	98.1	Very high	19 Å²	19	29.3 Å²	29.3	20%	0.196	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	112	-4.7	169.3	0	0	0	0	0	114.2	E198 R202 P232	E198-G200 PolarHBondContact OE2-N 2.84Å; E198-G200 VanDerWaalsContact OE2-N 3.11Å; G200-R202 VanDerWaalsContact C-CG 3.47Å; G200-R202 WeakPolarHBondContact O-CG 3.46Å; G200-R202 PolarHBondContact O-N 2.86Å; G200-P232 WeakPolarHBondContact O-CA 3.45Å; G200-P232 WeakPolarHBondContact O-CB 3.46Å
201	H	98.3	Very high	98.2	Very high	86 Å²	86	28.9 Å²	28.9	40%	0.398	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	49.6	179.5	-156.1	65.5	0	0	0	113.7	L196 L197 E198 Y233	L196-H201 WeakPolarHBondContact CD1-CE1 3.43Å; L196-H201 WeakPolarHBondContact CD1-NE2 3.34Å; L197-H201 PolarHBondContact O-N 2.68Å; E198-H201 WeakPolarHBondContact OE1-CA 3.13Å; E198-H201 IonicContact OE1-CG 2.55Å; E198-H201 IonicContact OE1-ND1 2.78Å; E198-H201 PolarHBondContact OE1-ND1 2.89Å; E198-H201 PolarHBondContact OE2-N 2.87Å; H201-Y233 PolarHBondContact CD2-O 3.28Å; H201-Y233 VanDerWaalsContact O-CB 3.31Å; H201-Y233 WeakPolarHBondContact O-CB 3.44Å; H201-Y233 PolarHBondContact O-N 3.23Å
202	R	98.3	Very high	98.3	Very high	6 Å²	6	27.4 Å²	27.4	2%	0.023	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.3	-161.6	-57.8	174.6	-66.4	113.5	-8.5	113.5	L196 L197 P199 G200 S229 Y261 E262	L196-R202 CarbonylContact C-O 3.59Å; L196-R202 WeakPolarHBondContact CA-O 3.43Å; L196-R202 VanDerWaalsContact CD2-C 3.5Å; L197-R202 PolarHBondContact N-O 3.35Å; L197-R202 PolarHBondContact O-N 2.77Å; P199-R202 PolarHBondContact O-NE 2.91Å; P199-R202 VanDerWaalsContact O-NE 3.16Å; G200-R202 VanDerWaalsContact C-CG 3.47Å; G200-R202 WeakPolarHBondContact O-CG 3.46Å; G200-R202 PolarHBondContact O-N 2.86Å; R202-S229 WeakPolarHBondContact CB-O 3.41Å; R202-S229 VanDerWaalsContact CD-O 3.31Å; R202-S229 WeakPolarHBondContact CD-O 3.35Å; R202-S229 PolarHBondContact NH1-O 3.35Å; R202-S229 VanDerWaalsContact NH1-O 3.1Å; R202-Y261 VanDerWaalsContact CZ-CD2 3.42Å; R202-Y261 VanDerWaalsContact NH2-CB 3.28Å; R202-Y261 VanDerWaalsContact NH2-CG 3.29Å; R202-E262 IonicContact CZ-OE1 3.75Å; R202-E262 IonicContact CZ-OE2 3.95Å; R202-E262 IonicContact NH1-OE1 3.4Å; R202-E262 PolarHBondContact NH1-OE1 2.95Å; R202-E262 IonicContact NH1-OE2 2.72Å; R202-E262 IonicContact NH2-OE1 3.79Å; R202-E262 IonicContact NH2-OE2 3.3Å; R202-E262 PolarHBondContact NH2-OE2 2.99Å
203	K	98.4	Very high	98.4	Very high	14 Å²	14	24.7 Å²	24.7	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	150.8	172.7	-169.8	178.8	178.9	-175	0	111.1	Y190 P194 L196 S229 Y233 H244 T246 M325	Y190-K203 PolarHBondContact OH-NZ 3.39Å; P194-K203 HydrophobicContact CB-CG 4.36Å; P194-K203 HydrophobicContact CG-CG 4.41Å; L196-K203 HydrophobicContact CD2-CB 4.22Å; K203-S229 WeakPolarHBondContact O-CB 3.44Å; K203-S229 PolarHBondContact O-N 3.01Å; K203-Y233 HydrophobicContact CB-CD2 4.14Å; K203-Y233 HydrophobicContact CD-CD2 4.18Å; K203-Y233 HydrophobicContact CD-CE2 4.17Å; K203-H244 WeakPolarHBondContact CD-O 3.45Å; K203-H244 PolarHBondContact NZ-O 3.09Å; K203-T246 HydrophobicContact CB-CG2 4.37Å; K203-T246 HydrophobicContact CD-CG2 4.5Å; K203-T246 HydrophobicContact CG-CG2 4.12Å; K203-M325 HydrophobicContact CD-CE 4.21Å; K203-M325 HydrophobicContact CG-CE 3.88Å
204	F	98.7	Very high	98.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.2	170.8	68.3	-84.1	0	0	0	110.8	L195 L197 I206 L226 R227 T228 F272 M325 V326	L195-F204 HydrophobicContact CB-CE1 4.12Å; L195-F204 HydrophobicContact CB-CZ 4.3Å; L195-F204 HydrophobicContact CD2-CE1 4.27Å; L195-F204 HydrophobicContact CD2-CZ 4Å; L195-F204 HydrophobicContact CG-CE1 4.04Å; L195-F204 HydrophobicContact CG-CZ 4.25Å; L195-F204 WeakPolarHBondContact O-CE1 3.48Å; L197-F204 HydrophobicContact CD1-CB 4.14Å; L197-F204 HydrophobicContact CD1-CD1 3.88Å; L197-F204 HydrophobicContact CD1-CG 4.16Å; L197-F204 HydrophobicContact CD2-CD1 4.16Å; L197-F204 HydrophobicContact CD2-CE1 4.07Å; L197-F204 HydrophobicContact CG-CD1 3.59Å; L197-F204 HydrophobicContact CG-CE1 3.96Å; L197-F204 HydrophobicContact CG-CG 4.35Å; F204-I206 HydrophobicContact CD2-CG1 4.16Å; F204-I206 HydrophobicContact CE2-CD1 4.15Å; F204-I206 HydrophobicContact CE2-CG1 3.85Å; F204-L226 HydrophobicContact CD2-CB 4.19Å; F204-L226 HydrophobicContact CD2-CD2 3.46Å; F204-L226 VanDerWaalsContact CD2-CD2 3.46Å; F204-L226 HydrophobicContact CD2-CG 3.61Å; F204-L226 HydrophobicContact CE2-CD2 3.57Å; F204-L226 HydrophobicContact CE2-CG 3.95Å; F204-L226 HydrophobicContact CG-CD2 4Å; F204-L226 HydrophobicContact CG-CG 4.41Å; F204-L226 HydrophobicContact CZ-CD2 4.2Å; F204-R227 VanDerWaalsContact CA-O 3.3Å; F204-R227 WeakPolarHBondContact CA-O 3.23Å; F204-T228 HydrophobicContact CB-CG2 3.98Å; F204-F272 HydrophobicContact CE2-CE2 4.42Å; F204-F272 HydrophobicContact CE2-CZ 4.07Å; F204-F272 HydrophobicContact CZ-CE2 4.03Å; F204-F272 AromaticContact CZ-CZ 3.83Å; F204-F272 HydrophobicContact CZ-CZ 3.83Å; F204-M325 WeakPolarHBondContact O-CE 3.38Å; F204-V326 HydrophobicContact CE2-CG2 4.38Å; F204-V326 HydrophobicContact CZ-CB 4.33Å
205	D	98.5	Very high	98.3	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.053	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.4	163.6	77.6	71.2	0	0	0	109.9	L226 R227 T246 F324 M325	D205-L226 CarbonylContact O-C 3.51Å; D205-L226 VanDerWaalsContact O-CA 3.23Å; D205-L226 WeakPolarHBondContact O-CA 3.39Å; D205-R227 PolarHBondContact N-O 3.28Å; D205-R227 PolarHBondContact O-N 3.31Å; D205-R227 IonicContact OD1-CZ 3.24Å; D205-R227 IonicContact OD1-NE 3.53Å; D205-R227 PolarHBondContact OD1-NE 3.33Å; D205-R227 IonicContact OD1-NH2 3.38Å; D205-R227 PolarHBondContact OD1-NH2 2.85Å; D205-R227 IonicContact OD2-CZ 3.44Å; D205-R227 IonicContact OD2-NE 3.54Å; D205-R227 PolarHBondContact OD2-NE 3.33Å; D205-R227 IonicContact OD2-NH2 3.98Å; D205-R227 PolarHBondContact OD2-NH2 3.2Å; D205-T246 WeakPolarHBondContact OD2-CB 3.23Å; D205-T246 PolarHBondContact OD2-OG1 2.83Å; D205-F324 CarbonylContact C-O 3.59Å; D205-F324 VanDerWaalsContact CA-O 3.31Å; D205-F324 WeakPolarHBondContact CA-O 3.05Å; D205-F324 WeakPolarHBondContact CB-O 3.42Å; D205-M325 HydrophobicContact CB-SD 4.03Å
206	I	98.7	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.8	176.4	-60	172.5	0	0	0	109.6	F204 L226 F269 F272 I288 I292 D323 F324 V326	F204-I206 HydrophobicContact CD2-CG1 4.16Å; F204-I206 HydrophobicContact CE2-CD1 4.15Å; F204-I206 HydrophobicContact CE2-CG1 3.85Å; I206-L226 HydrophobicContact CG1-CD1 4.01Å; I206-L226 HydrophobicContact CG1-CG 3.99Å; I206-F269 HydrophobicContact CG2-CE1 3.9Å; I206-F269 HydrophobicContact CG2-CZ 4.08Å; I206-F272 HydrophobicContact CD1-CE1 4.14Å; I206-I288 HydrophobicContact CD1-CG2 4.1Å; I206-I292 HydrophobicContact CD1-CD1 4.36Å; I206-I292 HydrophobicContact CG2-CD1 4.23Å; I206-D323 WeakPolarHBondContact O-CA 3.1Å; I206-F324 HydrophobicContact CB-CB 4.38Å; I206-F324 PolarHBondContact N-O 3.24Å; I206-F324 PolarHBondContact O-N 3.26Å; I206-V326 HydrophobicContact CD1-CG2 3.67Å
207	R	98.6	Very high	98.3	Very high	21 Å²	21	23.8 Å²	23.8	8%	0.079	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.7	166.2	164.4	63.6	55.5	61.9	6	110	W209 G224 V225 F322 D323 N338	R207-W209 HydrophobicContact CG-CD2 4.18Å; R207-W209 HydrophobicContact CG-CE3 4.41Å; R207-W209 HydrophobicContact CG-CH2 3.96Å; R207-W209 HydrophobicContact CG-CZ2 3.62Å; R207-W209 HydrophobicContact CG-CZ3 4.32Å; R207-G224 VanDerWaalsContact O-CA 3.31Å; R207-G224 WeakPolarHBondContact O-CA 3.37Å; R207-V225 HydrophobicContact CB-CG1 3.76Å; R207-V225 HydrophobicContact CG-CG1 4.06Å; R207-V225 PolarHBondContact N-O 3.11Å; R207-V225 PolarHBondContact O-N 3.14Å; R207-V225 VanDerWaalsContact O-N 3.13Å; R207-F322 WeakPolarHBondContact CA-O 3.21Å; R207-D323 IonicContact CZ-OD1 3.35Å; R207-D323 IonicContact CZ-OD2 3Å; R207-D323 IonicContact NE-OD1 3.55Å; R207-D323 PolarHBondContact NE-OD1 3.42Å; R207-D323 VanDerWaalsContact NH2-CG 3.33Å; R207-D323 IonicContact NH2-OD1 3.32Å; R207-D323 PolarHBondContact NH2-OD1 2.85Å; R207-D323 IonicContact NH2-OD2 2.75Å; R207-D323 PolarHBondContact NH2-OD2 3.33Å; R207-N338 PolarHBondContact NH2-ND2 3.22Å
208	S	98.6	Very high	98.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.5	168.6	-63.4	0	0	0	0	110.8	G321 F322	S208-G321 CarbonylContact O-C 2.81Å; S208-G321 WeakPolarHBondContact O-CA 3.39Å; S208-F322 PolarHBondContact N-O 3.45Å; S208-F322 PolarHBondContact O-N 2.67Å
209	W	98.8	Very high	98.3	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129	174.2	-65.1	-87.7	0	0	0	110.8	R207 Y221 V225 L319 F320 A342 C343 A344 L347 L351	R207-W209 HydrophobicContact CG-CD2 4.18Å; R207-W209 HydrophobicContact CG-CE3 4.41Å; R207-W209 HydrophobicContact CG-CH2 3.96Å; R207-W209 HydrophobicContact CG-CZ2 3.62Å; R207-W209 HydrophobicContact CG-CZ3 4.32Å; W209-Y221 AromaticContact CE3-CD1 3.89Å; W209-Y221 HydrophobicContact CE3-CD1 3.89Å; W209-Y221 HydrophobicContact CE3-CE1 4.5Å; W209-Y221 WeakPolarHBondContact O-CB 3.48Å; W209-Y221 PolarHBondContact O-N 3.26Å; W209-V225 HydrophobicContact CH2-CB 4.02Å; W209-V225 HydrophobicContact CH2-CG1 3.4Å; W209-V225 VanDerWaalsContact CH2-CG1 3.4Å; W209-V225 HydrophobicContact CZ2-CG1 4.14Å; W209-V225 HydrophobicContact CZ3-CB 4.42Å; W209-V225 HydrophobicContact CZ3-CG1 4.1Å; W209-L319 HydrophobicContact CB-CD1 4.27Å; W209-F320 WeakPolarHBondContact CA-O 3.36Å; W209-A342 PolarHBondContact NE1-O 3.34Å; W209-C343 HydrophobicContact CZ2-CB 4.36Å; W209-A344 HydrophobicContact CH2-CB 4.23Å; W209-L347 HydrophobicContact CE3-CD1 4.48Å; W209-L347 HydrophobicContact CH2-CD1 3.71Å; W209-L347 HydrophobicContact CZ3-CD1 3.5Å; W209-L351 HydrophobicContact CB-CD1 4.36Å; W209-L351 HydrophobicContact CB-CD2 4.37Å; W209-L351 HydrophobicContact CD2-CD2 4.38Å; W209-L351 HydrophobicContact CG-CD2 3.99Å
210	V	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.6	-177.9	-174.3	0	0	0	0	109.3	I218 Y219 L220 I296 L300 F320 F322	V210-I218 HydrophobicContact CG1-CG2 3.63Å; V210-Y219 CarbonylContact C-O 3.5Å; V210-Y219 VanDerWaalsContact CA-O 3.29Å; V210-Y219 WeakPolarHBondContact CA-O 3.22Å; V210-L220 HydrophobicContact CG2-CD1 4.17Å; V210-I296 HydrophobicContact CB-CG2 4.43Å; V210-I296 HydrophobicContact CG1-CG2 3.8Å; V210-I296 HydrophobicContact CG2-CD1 3.65Å; V210-I296 HydrophobicContact CG2-CG1 4.07Å; V210-I296 HydrophobicContact CG2-CG2 3.85Å; V210-L300 HydrophobicContact CG1-CD1 3.79Å; V210-F320 HydrophobicContact CB-CB 4.49Å; V210-F320 PolarHBondContact N-O 3.22Å; V210-F320 PolarHBondContact O-N 3.1Å; V210-F322 HydrophobicContact CB-CD2 4.12Å; V210-F322 HydrophobicContact CB-CE2 4.08Å; V210-F322 HydrophobicContact CG2-CD2 3.63Å; V210-F322 HydrophobicContact CG2-CE2 3.96Å; V210-F322 HydrophobicContact CG2-CG 4.44Å
211	L	98.8	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.9	174.4	177	65.3	0	0	0	109.1	Y219 F317 L319 I355 V358 A359 F405	L211-Y219 PolarHBondContact N-O 3.06Å; L211-Y219 WeakPolarHBondContact O-CB 3.33Å; L211-Y219 PolarHBondContact O-N 3.08Å; L211-F317 HydrophobicContact CD1-CD2 3.97Å; L211-L319 HydrophobicContact CB-CD1 4.24Å; L211-I355 HydrophobicContact CD1-CG1 4.42Å; L211-I355 HydrophobicContact CD2-CG1 4.31Å; L211-V358 HydrophobicContact CD2-CB 3.97Å; L211-V358 HydrophobicContact CD2-CG1 4Å; L211-A359 HydrophobicContact CD1-CB 4.12Å; L211-A359 HydrophobicContact CD2-CB 4.11Å; L211-A359 HydrophobicContact CG-CB 4.47Å; L211-F405 HydrophobicContact CB-CD1 4.46Å; L211-F405 HydrophobicContact CB-CE1 3.86Å; L211-F405 HydrophobicContact CB-CZ 4.06Å; L211-F405 HydrophobicContact CD2-CE1 4.39Å; L211-F405 HydrophobicContact CD2-CE2 3.93Å; L211-F405 HydrophobicContact CD2-CZ 3.81Å
212	V	98.8	Very high	98.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.9	169.6	-176.1	0	0	0	0	108	Y70 Y216 N217 I218 L300 F317 Q318 F320	Y70-V212 HydrophobicContact CE2-CB 3.94Å; Y70-V212 HydrophobicContact CE2-CG1 3.67Å; V212-Y216 HydrophobicContact CG1-CD1 4.4Å; V212-Y216 HydrophobicContact CG1-CD2 3.97Å; V212-Y216 HydrophobicContact CG1-CE2 4.12Å; V212-Y216 HydrophobicContact CG1-CG 4.12Å; V212-N217 WeakPolarHBondContact CA-O 3.49Å; V212-I218 HydrophobicContact CG2-CG1 4.41Å; V212-L300 HydrophobicContact CG2-CD1 3.78Å; V212-L300 HydrophobicContact CG2-CD2 4.11Å; V212-F317 CarbonylContact O-C 3.56Å; V212-F317 WeakPolarHBondContact O-CA 3.5Å; V212-F317 VanDerWaalsContact O-CB 3.27Å; V212-F317 WeakPolarHBondContact O-CB 3.18Å; V212-Q318 PolarHBondContact N-O 2.65Å; V212-Q318 PolarHBondContact O-N 3.38Å; V212-F320 HydrophobicContact CB-CE2 4.26Å; V212-F320 HydrophobicContact CG2-CD2 4.04Å; V212-F320 HydrophobicContact CG2-CE2 3.81Å
213	D	98.3	Very high	98.2	Very high	3 Å²	3	18 Å²	18	2%	0.016	8%	0.079	C	C	.	.			trans	-86	176.3	-179.3	78.2	11.3	0	0	0	113.2	Y70 Q215 Y216 N217 Y219	Y70-D213 PolarHBondContact OH-O 2.96Å; D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 PolarHBondContact O-N 3.35Å; D213-Q215 PolarHBondContact OD1-N 3.49Å; D213-Y216 WeakPolarHBondContact O-CA 3.23Å; D213-Y216 PolarHBondContact O-N 3.21Å; D213-Y216 PolarHBondContact OD1-N 2.68Å; D213-Y216 VanDerWaalsContact OD1-N 3.15Å; D213-N217 PolarHBondContact N-O 3.37Å; D213-N217 VanDerWaalsContact N-O 3.12Å; D213-N217 WeakPolarHBondContact OD1-CB 3.5Å; D213-N217 PolarHBondContact OD1-N 2.75Å; D213-N217 PolarHBondContact OD1-ND2 3.12Å; D213-N217 WeakPolarHBondContact OD2-CB 3.14Å; D213-N217 PolarHBondContact OD2-ND2 2.6Å; D213-Y219 HydrophobicContact CB-CE2 3.89Å; D213-Y219 WeakPolarHBondContact OD2-CE2 3.48Å; D213-Y219 PolarHBondContact OD2-OH 3.03Å
214	H	97.9	Very high	98.1	Very high	24 Å²	24	17.4 Å²	17.4	11%	0.111	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.4	-175.9	71	-73	0	0	0	117.4	L66 Y216 Q315 S316 V363	L66-H214 HydrophobicContact CD1-CB 4.3Å; H214-Y216 VanDerWaalsContact C-N 3.33Å; H214-Q315 HydrophobicContact CB-CB 3.89Å; H214-Q315 HydrophobicContact CB-CG 4.37Å; H214-Q315 PolarHBondContact O-OE1 3.09Å; H214-S316 WeakPolarHBondContact CA-O 3.37Å; H214-S316 WeakPolarHBondContact CB-O 3.3Å; H214-S316 PolarHBondContact N-O 2.97Å; H214-V363 WeakPolarHBondContact CE1-CG2 3.5Å; H214-V363 VanDerWaalsContact ND1-CG2 3.34Å; H214-V363 WeakPolarHBondContact ND1-CG2 3.36Å
215	Q	96.9	Very high	98.1	Very high	90 Å²	90	17.5 Å²	17.5	42%	0.421	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	24.6	166.6	41.4	-75.7	128.9	0	0	112.8	D213 N217	D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 PolarHBondContact O-N 3.35Å; D213-Q215 PolarHBondContact OD1-N 3.49Å; Q215-N217 PolarHBondContact O-N 3.42Å
216	Y	98.3	Very high	98.1	Very high	11 Å²	11	17 Å²	17	4%	0.043	8%	0.075	C	C	.	.			trans	64.9	21.6	172.7	-141.5	-94.6	0	0	0	114	Y70 V212 D213 H214 I218 L300 E304 I307	Y70-Y216 HydrophobicContact CE1-CD2 4.08Å; Y70-Y216 HydrophobicContact CE1-CE2 4.1Å; Y70-Y216 AromaticContact CZ-CD2 3.89Å; V212-Y216 HydrophobicContact CG1-CD1 4.4Å; V212-Y216 HydrophobicContact CG1-CD2 3.97Å; V212-Y216 HydrophobicContact CG1-CE2 4.12Å; V212-Y216 HydrophobicContact CG1-CG 4.12Å; D213-Y216 WeakPolarHBondContact O-CA 3.23Å; D213-Y216 PolarHBondContact O-N 3.21Å; D213-Y216 PolarHBondContact OD1-N 2.68Å; D213-Y216 VanDerWaalsContact OD1-N 3.15Å; H214-Y216 VanDerWaalsContact C-N 3.33Å; Y216-I218 PolarHBondContact O-N 2.9Å; Y216-L300 PolarHBondContact OH-O 3.48Å; Y216-L300 VanDerWaalsContact OH-O 3.1Å; Y216-E304 HydrophobicContact CD1-CB 3.83Å; Y216-E304 HydrophobicContact CD1-CG 3.36Å; Y216-E304 HydrophobicContact CD2-CG 4.17Å; Y216-E304 HydrophobicContact CE1-CB 3.35Å; Y216-E304 HydrophobicContact CE1-CG 3.45Å; Y216-E304 VanDerWaalsContact CE1-CG 3.45Å; Y216-E304 HydrophobicContact CE2-CB 4.46Å; Y216-E304 HydrophobicContact CE2-CG 4.24Å; Y216-E304 HydrophobicContact CG-CG 3.74Å; Y216-E304 VanDerWaalsContact CZ-CA 3.46Å; Y216-E304 WeakPolarHBondContact OH-CA 3.31Å; Y216-I307 HydrophobicContact CE2-CD1 3.8Å; Y216-I307 HydrophobicContact CE2-CG1 3.77Å; Y216-I307 VanDerWaalsContact OH-CD1 3.32Å; Y216-I307 WeakPolarHBondContact OH-CD1 3.49Å; Y216-I307 WeakPolarHBondContact OH-CG1 2.93Å
217	N	98.1	Very high	98.1	Very high	26 Å²	26	18.4 Å²	18.4	14%	0.139	8%	0.08	C	C	.	.			trans	-70.7	131.5	172.7	-57.2	-48.7	0	0	0	109.1	V212 D213 Q215 Y219 R407	V212-N217 WeakPolarHBondContact CA-O 3.49Å; D213-N217 PolarHBondContact N-O 3.37Å; D213-N217 VanDerWaalsContact N-O 3.12Å; D213-N217 WeakPolarHBondContact OD1-CB 3.5Å; D213-N217 PolarHBondContact OD1-N 2.75Å; D213-N217 PolarHBondContact OD1-ND2 3.12Å; D213-N217 WeakPolarHBondContact OD2-CB 3.14Å; D213-N217 PolarHBondContact OD2-ND2 2.6Å; Q215-N217 PolarHBondContact O-N 3.42Å; N217-Y219 HydrophobicContact CB-CD2 4.23Å; N217-Y219 HydrophobicContact CB-CE1 4.44Å; N217-Y219 HydrophobicContact CB-CE2 3.38Å; N217-Y219 VanDerWaalsContact CB-CZ 3.49Å; N217-Y219 WeakPolarHBondContact CB-OH 3.47Å; N217-Y219 PolarHBondContact ND2-OH 3.21Å; N217-Y219 VanDerWaalsContact O-CD2 3.31Å; N217-Y219 WeakPolarHBondContact O-CD2 3.44Å; N217-Y219 WeakPolarHBondContact O-CE2 3.36Å; N217-R407 PolarHBondContact OD1-NE 3.24Å; N217-R407 PolarHBondContact OD1-NH2 3.34Å
218	I	98.7	Very high	98.1	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.062	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124	-179	-57.1	167.8	0	0	0	108.6	V210 V212 Y216 I296 L300 R407 L408	V210-I218 HydrophobicContact CG1-CG2 3.63Å; V212-I218 HydrophobicContact CG2-CG1 4.41Å; Y216-I218 PolarHBondContact O-N 2.9Å; I218-I296 HydrophobicContact CG2-CG2 3.93Å; I218-L300 HydrophobicContact CB-CD1 4.46Å; I218-L300 HydrophobicContact CD1-CB 3.63Å; I218-L300 HydrophobicContact CD1-CD1 4.06Å; I218-L300 HydrophobicContact CG1-CB 4.29Å; I218-L300 HydrophobicContact CG1-CD1 4.03Å; I218-L300 HydrophobicContact CG2-CD1 3.61Å; I218-R407 WeakPolarHBondContact O-CA 3.45Å; I218-L408 HydrophobicContact CB-CB 4.26Å; I218-L408 HydrophobicContact CG2-CB 4.1Å; I218-L408 HydrophobicContact CG2-CD1 3.96Å; I218-L408 HydrophobicContact CG2-CG 4.26Å; I218-L408 PolarHBondContact O-N 3.23Å
219	Y	98.6	Very high	98.1	Very high	14 Å²	14	17.4 Å²	17.4	6%	0.055	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.2	-176.7	-64.1	-78.8	0	0	0	110.2	V210 L211 D213 N217 V358 V402 F405 T406 R407	V210-Y219 CarbonylContact C-O 3.5Å; V210-Y219 VanDerWaalsContact CA-O 3.29Å; V210-Y219 WeakPolarHBondContact CA-O 3.22Å; L211-Y219 PolarHBondContact N-O 3.06Å; L211-Y219 WeakPolarHBondContact O-CB 3.33Å; L211-Y219 PolarHBondContact O-N 3.08Å; D213-Y219 HydrophobicContact CB-CE2 3.89Å; D213-Y219 WeakPolarHBondContact OD2-CE2 3.48Å; D213-Y219 PolarHBondContact OD2-OH 3.03Å; N217-Y219 HydrophobicContact CB-CD2 4.23Å; N217-Y219 HydrophobicContact CB-CE1 4.44Å; N217-Y219 HydrophobicContact CB-CE2 3.38Å; N217-Y219 VanDerWaalsContact CB-CZ 3.49Å; N217-Y219 WeakPolarHBondContact CB-OH 3.47Å; N217-Y219 PolarHBondContact ND2-OH 3.21Å; N217-Y219 VanDerWaalsContact O-CD2 3.31Å; N217-Y219 WeakPolarHBondContact O-CD2 3.44Å; N217-Y219 WeakPolarHBondContact O-CE2 3.36Å; Y219-V358 HydrophobicContact CD1-CG1 4.32Å; Y219-V358 HydrophobicContact CD2-CG1 3.67Å; Y219-V358 HydrophobicContact CE1-CG1 4.08Å; Y219-V358 HydrophobicContact CE2-CG1 3.35Å; Y219-V358 HydrophobicContact CG-CG1 4.13Å; Y219-V402 HydrophobicContact CE1-CB 4.24Å; Y219-V402 HydrophobicContact CE1-CG2 4.07Å; Y219-F405 HydrophobicContact CD1-CB 4.1Å; Y219-F405 HydrophobicContact CG-CB 4.29Å; Y219-T406 WeakPolarHBondContact CA-O 3.39Å; Y219-R407 HydrophobicContact CD1-CB 3.92Å; Y219-R407 HydrophobicContact CD1-CG 4.23Å; Y219-R407 HydrophobicContact CE1-CB 3.87Å; Y219-R407 HydrophobicContact CE1-CG 3.93Å
220	L	98.7	Very high	98	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.1	171.8	174.5	59.6	0	0	0	109.5	V210 K293 I296 F405 T406 L408	V210-L220 HydrophobicContact CG2-CD1 4.17Å; L220-K293 HydrophobicContact CD2-CG 3.78Å; L220-I296 HydrophobicContact CD1-CD1 3.96Å; L220-F405 CarbonylContact O-C 3.54Å; L220-F405 WeakPolarHBondContact O-CA 3.43Å; L220-T406 PolarHBondContact N-O 3.01Å; L220-T406 PolarHBondContact O-N 3.45Å; L220-L408 HydrophobicContact CB-CD1 4.05Å; L220-L408 HydrophobicContact CB-CD2 3.9Å; L220-L408 HydrophobicContact CB-CG 3.95Å; L220-L408 HydrophobicContact CD2-CD2 4.29Å
221	Y	98.4	Very high	98	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135	172.9	-172.2	-126.7	0	0	0	109.5	W209 E223 L347 E350 L351 P404 F405	W209-Y221 AromaticContact CE3-CD1 3.89Å; W209-Y221 HydrophobicContact CE3-CD1 3.89Å; W209-Y221 HydrophobicContact CE3-CE1 4.5Å; W209-Y221 WeakPolarHBondContact O-CB 3.48Å; W209-Y221 PolarHBondContact O-N 3.26Å; Y221-E223 HydrophobicContact CD1-CB 3.99Å; Y221-E223 WeakPolarHBondContact CD1-O 3.33Å; Y221-E223 HydrophobicContact CE1-CB 3.62Å; Y221-E223 HydrophobicContact CE1-CG 4.21Å; Y221-E223 PolarHBondContact O-N 2.78Å; Y221-L347 HydrophobicContact CE1-CB 4.26Å; Y221-L347 HydrophobicContact CE1-CD1 4.24Å; Y221-E350 HydrophobicContact CE2-CG 4.1Å; Y221-E350 WeakPolarHBondContact OH-CB 3.33Å; Y221-E350 WeakPolarHBondContact OH-CG 3.38Å; Y221-E350 PolarHBondContact OH-OE2 3.11Å; Y221-L351 HydrophobicContact CD1-CD1 4.12Å; Y221-L351 HydrophobicContact CD2-CD1 3.71Å; Y221-L351 HydrophobicContact CE1-CB 4.23Å; Y221-L351 HydrophobicContact CE1-CD1 4.43Å; Y221-L351 HydrophobicContact CE2-CB 4.05Å; Y221-L351 HydrophobicContact CE2-CD1 4Å; Y221-L351 HydrophobicContact CG-CD1 3.78Å; Y221-L351 PolarHBondContact OH-N 3.27Å; Y221-P404 HydrophobicContact CD2-CB 3.94Å; Y221-P404 HydrophobicContact CD2-CG 4.06Å; Y221-P404 HydrophobicContact CE2-CB 3.49Å; Y221-P404 VanDerWaalsContact CE2-CB 3.49Å; Y221-P404 HydrophobicContact CE2-CG 3.73Å; Y221-F405 HydrophobicContact CD2-CD1 4.23Å; Y221-F405 AromaticContact CD2-CE1 3.96Å; Y221-F405 HydrophobicContact CD2-CE1 3.96Å; Y221-F405 HydrophobicContact CD2-CZ 4.29Å; Y221-F405 HydrophobicContact CG-CE1 4.31Å
222	R	95.9	Very high	97.9	Very high	110 Å²	110	22 Å²	22	42%	0.415	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-28.1	-171.9	71.5	-174.2	-172.9	-152.8	0.4	113.6	E350 P404	R222-E350 IonicContact CZ-OE1 3.3Å; R222-E350 IonicContact CZ-OE2 3.65Å; R222-E350 IonicContact NE-OE2 2.71Å; R222-E350 IonicContact NH1-OE1 3.9Å; R222-E350 IonicContact NH2-OE1 2.82Å; R222-E350 PolarHBondContact NH2-OE1 3.1Å; R222-E350 IonicContact NH2-OE2 3.69Å; R222-E350 PolarHBondContact NH2-OE2 2.75Å; R222-P404 WeakPolarHBondContact CB-O 3.48Å; R222-P404 WeakPolarHBondContact CG-O 3.33Å; R222-P404 PolarHBondContact N-O 3.09Å
223	E	95.8	Very high	97.9	Very high	30 Å²	30	22.8 Å²	22.8	14%	0.14	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.1	174.4	-58	-55.3	140.7	0	0	110.4	Y221 L347	Y221-E223 HydrophobicContact CD1-CB 3.99Å; Y221-E223 WeakPolarHBondContact CD1-O 3.33Å; Y221-E223 HydrophobicContact CE1-CB 3.62Å; Y221-E223 HydrophobicContact CE1-CG 4.21Å; Y221-E223 PolarHBondContact O-N 2.78Å; E223-L347 HydrophobicContact CB-CD1 3.96Å; E223-L347 HydrophobicContact CB-CD2 3.96Å; E223-L347 HydrophobicContact CG-CD2 3.95Å
224	G	96.3	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	171.2	161.4	0	0	0	0	0	109.7	R207 F269	R207-G224 VanDerWaalsContact O-CA 3.31Å; R207-G224 WeakPolarHBondContact O-CA 3.37Å; G224-F269 VanDerWaalsContact CA-CZ 3.44Å; G224-F269 VanDerWaalsContact N-CD2 3.27Å; G224-F269 VanDerWaalsContact N-CE2 3.27Å
225	V	98.3	Very high	97.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.4	175.2	67	0	0	0	0	109.4	R207 W209 R227 E266 F268	R207-V225 HydrophobicContact CB-CG1 3.76Å; R207-V225 HydrophobicContact CG-CG1 4.06Å; R207-V225 PolarHBondContact N-O 3.11Å; R207-V225 PolarHBondContact O-N 3.14Å; R207-V225 VanDerWaalsContact O-N 3.13Å; W209-V225 HydrophobicContact CH2-CB 4.02Å; W209-V225 HydrophobicContact CH2-CG1 3.4Å; W209-V225 VanDerWaalsContact CH2-CG1 3.4Å; W209-V225 HydrophobicContact CZ2-CG1 4.14Å; W209-V225 HydrophobicContact CZ3-CB 4.42Å; W209-V225 HydrophobicContact CZ3-CG1 4.1Å; V225-R227 HydrophobicContact CG1-CG 4.47Å; V225-E266 HydrophobicContact CG2-CB 3.65Å; V225-E266 HydrophobicContact CG2-CG 3.94Å; V225-F268 HydrophobicContact CB-CD1 4.38Å; V225-F268 HydrophobicContact CB-CE1 4.28Å; V225-F268 HydrophobicContact CG2-CD1 4.28Å; V225-F268 HydrophobicContact CG2-CE1 4.01Å; V225-F268 HydrophobicContact CG2-CZ 4.43Å
226	L	98.6	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121	165	-79.2	66.5	0	0	0	107.1	F204 D205 I206 T228 E266 M267 F269 F272	F204-L226 HydrophobicContact CD2-CB 4.19Å; F204-L226 HydrophobicContact CD2-CD2 3.46Å; F204-L226 VanDerWaalsContact CD2-CD2 3.46Å; F204-L226 HydrophobicContact CD2-CG 3.61Å; F204-L226 HydrophobicContact CE2-CD2 3.57Å; F204-L226 HydrophobicContact CE2-CG 3.95Å; F204-L226 HydrophobicContact CG-CD2 4Å; F204-L226 HydrophobicContact CG-CG 4.41Å; F204-L226 HydrophobicContact CZ-CD2 4.2Å; D205-L226 CarbonylContact O-C 3.51Å; D205-L226 VanDerWaalsContact O-CA 3.23Å; D205-L226 WeakPolarHBondContact O-CA 3.39Å; I206-L226 HydrophobicContact CG1-CD1 4.01Å; I206-L226 HydrophobicContact CG1-CG 3.99Å; L226-T228 HydrophobicContact CB-CG2 4.24Å; L226-E266 WeakPolarHBondContact O-CA 3.43Å; L226-M267 HydrophobicContact CB-CB 4.07Å; L226-M267 WeakPolarHBondContact CB-O 3.41Å; L226-M267 HydrophobicContact CD2-SD 4.15Å; L226-M267 PolarHBondContact N-O 2.99Å; L226-M267 PolarHBondContact O-N 3.4Å; L226-F269 HydrophobicContact CD1-CD1 4.07Å; L226-F269 HydrophobicContact CD1-CE1 4.08Å; L226-F272 HydrophobicContact CD1-CB 4.05Å; L226-F272 HydrophobicContact CD1-CD1 3.73Å; L226-F272 HydrophobicContact CD1-CE1 4.28Å; L226-F272 HydrophobicContact CD1-CG 3.88Å; L226-F272 HydrophobicContact CD2-CB 4.14Å; L226-F272 HydrophobicContact CD2-CD1 3.95Å; L226-F272 HydrophobicContact CD2-CD2 3.4Å; L226-F272 VanDerWaalsContact CD2-CD2 3.4Å; L226-F272 HydrophobicContact CD2-CE1 4.14Å; L226-F272 HydrophobicContact CD2-CE2 3.66Å; L226-F272 HydrophobicContact CD2-CG 3.57Å; L226-F272 HydrophobicContact CD2-CZ 4.01Å; L226-F272 HydrophobicContact CG-CD1 4.45Å; L226-F272 HydrophobicContact CG-CG 4.4Å
227	R	98.2	Very high	97	Very high	29 Å²	29	31.4 Å²	31.4	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.2	170.3	-63.1	174.8	-67.1	172.8	-6.6	107	F204 D205 V225 T246 D323	F204-R227 VanDerWaalsContact CA-O 3.3Å; F204-R227 WeakPolarHBondContact CA-O 3.23Å; D205-R227 PolarHBondContact N-O 3.28Å; D205-R227 PolarHBondContact O-N 3.31Å; D205-R227 IonicContact OD1-CZ 3.24Å; D205-R227 IonicContact OD1-NE 3.53Å; D205-R227 PolarHBondContact OD1-NE 3.33Å; D205-R227 IonicContact OD1-NH2 3.38Å; D205-R227 PolarHBondContact OD1-NH2 2.85Å; D205-R227 IonicContact OD2-CZ 3.44Å; D205-R227 IonicContact OD2-NE 3.54Å; D205-R227 PolarHBondContact OD2-NE 3.33Å; D205-R227 IonicContact OD2-NH2 3.98Å; D205-R227 PolarHBondContact OD2-NH2 3.2Å; V225-R227 HydrophobicContact CG1-CG 4.47Å; R227-T246 WeakPolarHBondContact O-CB 3.23Å; R227-D323 IonicContact CZ-OD2 2.73Å; R227-D323 IonicContact NH1-OD2 2.58Å; R227-D323 IonicContact NH2-OD1 2.83Å; R227-D323 PolarHBondContact NH2-OD1 3.37Å; R227-D323 IonicContact NH2-OD2 3.2Å; R227-D323 PolarHBondContact NH2-OD2 3.3Å
228	T	98.6	Very high	96.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.3	-168.7	64.2	0	0	0	0	111.7	L197 F204 L226 E262 N265 M267	L197-T228 HydrophobicContact CD1-CG2 3.61Å; F204-T228 HydrophobicContact CB-CG2 3.98Å; L226-T228 HydrophobicContact CB-CG2 4.24Å; T228-E262 WeakPolarHBondContact CB-OE1 3.5Å; T228-E262 VanDerWaalsContact CG2-OE1 3.23Å; T228-E262 WeakPolarHBondContact CG2-OE1 3.26Å; T228-E262 PolarHBondContact OG1-OE1 2.82Å; T228-N265 PolarHBondContact N-O 3.31Å; T228-N265 WeakPolarHBondContact O-CB 3.38Å; T228-N265 PolarHBondContact O-ND2 3.38Å; T228-N265 WeakPolarHBondContact OG1-CA 3.26Å; T228-N265 WeakPolarHBondContact OG1-CB 3.34Å; T228-N265 PolarHBondContact OG1-O 3Å; T228-M267 HydrophobicContact CG2-CB 4.31Å
229	S	98.3	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.1	155.9	179.2	0	0	0	0	108.3	R202 K203 E231 T242	R202-S229 WeakPolarHBondContact CB-O 3.41Å; R202-S229 VanDerWaalsContact CD-O 3.31Å; R202-S229 WeakPolarHBondContact CD-O 3.35Å; R202-S229 PolarHBondContact NH1-O 3.35Å; R202-S229 VanDerWaalsContact NH1-O 3.1Å; K203-S229 WeakPolarHBondContact O-CB 3.44Å; K203-S229 PolarHBondContact O-N 3.01Å; S229-E231 PolarHBondContact OG-N 3.29Å; S229-E231 PolarHBondContact OG-O 3.11Å; S229-T242 PolarHBondContact OG-O 3.3Å
230	S	97.8	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-4.9	166.8	34	0	0	0	0	113	Q251 S255 N257 Y258 N265	S230-Q251 PolarHBondContact OG-OE1 2.94Å; S230-S255 VanDerWaalsContact OG-CB 3.32Å; S230-S255 WeakPolarHBondContact OG-CB 3.37Å; S230-S255 PolarHBondContact OG-OG 2.89Å; S230-N257 VanDerWaalsContact CB-C 3.44Å; S230-N257 WeakPolarHBondContact CB-O 3.46Å; S230-N257 VanDerWaalsContact O-CB 3.26Å; S230-N257 WeakPolarHBondContact O-CB 3.25Å; S230-Y258 WeakPolarHBondContact OG-CA 3.22Å; S230-Y258 PolarHBondContact OG-N 3.35Å; S230-N265 WeakPolarHBondContact CB-ND2 3.41Å; S230-N265 PolarHBondContact N-ND2 2.9Å; S230-N265 PolarHBondContact OG-ND2 3Å
231	E	97.9	Very high	95.3	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.131	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.7	174.5	-56.1	-55.6	155.6	0	0	111.6	S229 Y233 T242 S255 Q256 N257	S229-E231 PolarHBondContact OG-N 3.29Å; S229-E231 PolarHBondContact OG-O 3.11Å; E231-Y233 PolarHBondContact O-N 3.37Å; E231-T242 HydrophobicContact CG-CG2 3.72Å; E231-S255 WeakPolarHBondContact OE1-CA 3.22Å; E231-S255 WeakPolarHBondContact OE1-CB 3.38Å; E231-S255 PolarHBondContact OE1-OG 2.9Å; E231-Q256 PolarHBondContact OE1-N 2.93Å; E231-N257 PolarHBondContact OE1-N 2.79Å; E231-N257 PolarHBondContact OE1-ND2 2.9Å; E231-N257 PolarHBondContact OE2-ND2 3.1Å
232	P	97.9	Very high	95	Very high	69 Å²	69	41.7 Å²	41.7	45%	0.448	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	132.8	174.1	-21.7	33	0	0	0	111.8	G200 N234 S243	G200-P232 WeakPolarHBondContact O-CA 3.45Å; G200-P232 WeakPolarHBondContact O-CB 3.46Å; P232-N234 PolarHBondContact O-N 3.11Å; P232-S243 VanDerWaalsContact O-CB 3.24Å; P232-S243 WeakPolarHBondContact O-CB 3.45Å
233	Y	97.8	Very high	94.8	Very high	19 Å²	19	36.4 Å²	36.4	8%	0.075	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-66.6	125.4	177.3	-179.6	-101.9	0	0	0	110.7	E192 P194 L196 H201 K203 E231 H244	E192-Y233 PolarHBondContact O-OH 2.84Å; P194-Y233 HydrophobicContact CG-CD1 4.46Å; P194-Y233 HydrophobicContact CG-CD2 4.39Å; P194-Y233 HydrophobicContact CG-CE1 4.13Å; P194-Y233 HydrophobicContact CG-CE2 4.04Å; L196-Y233 HydrophobicContact CD1-CD1 3.93Å; L196-Y233 HydrophobicContact CD1-CG 4.34Å; L196-Y233 HydrophobicContact CD2-CD1 4.15Å; L196-Y233 HydrophobicContact CD2-CD2 4.45Å; L196-Y233 HydrophobicContact CD2-CG 3.83Å; H201-Y233 PolarHBondContact CD2-O 3.28Å; H201-Y233 VanDerWaalsContact O-CB 3.31Å; H201-Y233 WeakPolarHBondContact O-CB 3.44Å; H201-Y233 PolarHBondContact O-N 3.23Å; K203-Y233 HydrophobicContact CB-CD2 4.14Å; K203-Y233 HydrophobicContact CD-CD2 4.18Å; K203-Y233 HydrophobicContact CD-CE2 4.17Å; E231-Y233 PolarHBondContact O-N 3.37Å; Y233-H244 AromaticContact CD2-CE1 3.94Å; Y233-H244 AromaticContact CD2-ND1 3.54Å; Y233-H244 AromaticContact CE2-CE1 3.56Å; Y233-H244 AromaticContact CE2-ND1 3.2Å; Y233-H244 WeakPolarHBondContact CE2-ND1 3.43Å
234	N	95.4	Very high	94.8	Very high	69 Å²	69	35 Å²	35	37%	0.369	20%	0.202	S	C	.	.			trans	-124.1	99.7	178.4	-176.7	3.3	0	0	0	110.7	P232 A236 D237 H244	P232-N234 PolarHBondContact O-N 3.11Å; N234-A236 PolarHBondContact O-N 3.13Å; N234-A236 WeakPolarHBondContact OD1-CB 3.39Å; N234-A236 PolarHBondContact OD1-N 2.95Å; N234-D237 VanDerWaalsContact ND2-CB 3.32Å; N234-D237 WeakPolarHBondContact ND2-CB 3.31Å; N234-D237 PolarHBondContact O-N 3.48Å; N234-H244 PolarHBondContact O-CE1 3.41Å; N234-H244 PolarHBondContact O-NE2 3.09Å
235	S	93.1	Very high	94.7	Very high	82 Å²	82	35.7 Å²	35.7	57%	0.573	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	178.5	55.5	0	0	0	0	114.3
236	A	91.9	Very high	94.5	Very high	91 Å²	91	36.1 Å²	36.1	75%	0.752	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-19.3	179.1	0	0	0	0	0	113.2	N234	N234-A236 PolarHBondContact O-N 3.13Å; N234-A236 WeakPolarHBondContact OD1-CB 3.39Å; N234-A236 PolarHBondContact OD1-N 2.95Å
237	D	92.9	Very high	94.2	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	22%	0.218	S	C	.	.			trans	-120.8	82.2	-178.5	-172.6	4.9	0	0	0	111.8	N234 Q239 D240 H244	N234-D237 VanDerWaalsContact ND2-CB 3.32Å; N234-D237 WeakPolarHBondContact ND2-CB 3.31Å; N234-D237 PolarHBondContact O-N 3.48Å; D237-Q239 PolarHBondContact O-N 2.78Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.25Å; D237-Q239 PolarHBondContact OD1-N 3.35Å; D237-Q239 VanDerWaalsContact OD1-N 3.09Å; D237-D240 PolarHBondContact O-N 3.17Å; D237-D240 PolarHBondContact OD1-N 3.36Å; D237-H244 PolarHBondContact O-NE2 3.11Å
238	L	91.6	Very high	93.7	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.105	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.3	177.3	-56.4	177	0	0	0	113.4	V151 I167	V151-L238 HydrophobicContact CG1-CD1 3.72Å; V151-L238 HydrophobicContact CG1-CD2 4.18Å; V151-L238 HydrophobicContact CG2-CD1 4.21Å; I167-L238 HydrophobicContact CG2-CB 4.41Å; I167-L238 HydrophobicContact CG2-CD1 4.27Å; I167-L238 HydrophobicContact CG2-CD2 4.02Å; I167-L238 HydrophobicContact CG2-CG 4.46Å
239	Q	88	Confident	93.2	Very high	131 Å²	131	42.1 Å²	42.1	61%	0.612	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-27.8	178.7	-61.2	-61.1	-31.9	0	0	111.7	D237 M241	D237-Q239 PolarHBondContact O-N 2.78Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.25Å; D237-Q239 PolarHBondContact OD1-N 3.35Å; D237-Q239 VanDerWaalsContact OD1-N 3.09Å; Q239-M241 VanDerWaalsContact C-N 3.26Å; Q239-M241 PolarHBondContact O-N 3.4Å
240	D	88.2	Confident	92.9	Very high	59 Å²	59	42.7 Å²	42.7	32%	0.316	25%	0.245	S	C	.	.			trans	-74.8	83.7	167.2	-179.8	22.5	0	0	0	110.9	D237 T242 S243 H244	D237-D240 PolarHBondContact O-N 3.17Å; D237-D240 PolarHBondContact OD1-N 3.36Å; D240-T242 PolarHBondContact O-N 3.44Å; D240-T242 VanDerWaalsContact O-N 3.15Å; D240-T242 WeakPolarHBondContact OD1-CB 3.31Å; D240-T242 PolarHBondContact OD1-N 2.55Å; D240-T242 PolarHBondContact OD1-OG1 3.44Å; D240-T242 VanDerWaalsContact OD1-OG1 3.06Å; D240-S243 PolarHBondContact O-N 2.85Å; D240-S243 PolarHBondContact O-OG 3.4Å; D240-S243 VanDerWaalsContact O-OG 3.1Å; D240-H244 PolarHBondContact O-CD2 3.4Å
241	M	89.6	Confident	92.7	Very high	46 Å²	46	42.7 Å²	42.7	23%	0.227	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-19.5	177.2	-62.1	-60	-63.8	0	0	112.9	I165 I167 Q239 H244 L245	I165-M241 HydrophobicContact CB-CE 4.43Å; I165-M241 HydrophobicContact CG2-CE 3.81Å; I167-M241 HydrophobicContact CD1-CE 3.63Å; I167-M241 HydrophobicContact CD1-SD 4.05Å; I167-M241 HydrophobicContact CG1-CE 3.91Å; I167-M241 HydrophobicContact CG1-SD 4.34Å; Q239-M241 VanDerWaalsContact C-N 3.26Å; Q239-M241 PolarHBondContact O-N 3.4Å; M241-H244 PolarHBondContact O-N 2.93Å; M241-L245 HydrophobicContact CB-CD1 4.22Å; M241-L245 HydrophobicContact CB-CG 4.44Å; M241-L245 HydrophobicContact CE-CD1 3.47Å; M241-L245 VanDerWaalsContact CE-CD1 3.47Å; M241-L245 HydrophobicContact CE-CD2 3.98Å; M241-L245 HydrophobicContact CE-CG 3.71Å; M241-L245 WeakPolarHBondContact O-CB 2.94Å; M241-L245 WeakPolarHBondContact O-CG 3.43Å; M241-L245 PolarHBondContact O-N 2.96Å
242	T	92.4	Very high	92.6	Very high	22 Å²	22	47.9 Å²	47.9	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-38.1	-178.6	-39.6	0	0	0	0	111	S229 E231 D240 H244 Q251 H254	S229-T242 PolarHBondContact OG-O 3.3Å; E231-T242 HydrophobicContact CG-CG2 3.72Å; D240-T242 PolarHBondContact O-N 3.44Å; D240-T242 VanDerWaalsContact O-N 3.15Å; D240-T242 WeakPolarHBondContact OD1-CB 3.31Å; D240-T242 PolarHBondContact OD1-N 2.55Å; D240-T242 PolarHBondContact OD1-OG1 3.44Å; D240-T242 VanDerWaalsContact OD1-OG1 3.06Å; T242-H244 VanDerWaalsContact C-N 3.26Å; T242-H244 PolarHBondContact O-N 3.11Å; T242-Q251 PolarHBondContact O-NE2 2.78Å; T242-H254 HydrophobicContact CG2-CB 4.18Å
243	S	93.5	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.4	-20.8	174.7	77.7	0	0	0	0	113.7	P232 D240	P232-S243 VanDerWaalsContact O-CB 3.24Å; P232-S243 WeakPolarHBondContact O-CB 3.45Å; D240-S243 PolarHBondContact O-N 2.85Å; D240-S243 PolarHBondContact O-OG 3.4Å; D240-S243 VanDerWaalsContact O-OG 3.1Å
244	H	95.4	Very high	92.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-104.4	-23.9	-171.2	-68.5	-44.1	0	0	0	114.9	I167 Y190 K203 Y233 N234 D237 D240 M241 T242	I167-H244 HydrophobicContact CD1-CB 3.76Å; Y190-H244 WeakPolarHBondContact OH-CB 3.38Å; Y190-H244 PolarHBondContact OH-ND1 2.95Å; K203-H244 WeakPolarHBondContact CD-O 3.45Å; K203-H244 PolarHBondContact NZ-O 3.09Å; Y233-H244 AromaticContact CD2-CE1 3.94Å; Y233-H244 AromaticContact CD2-ND1 3.54Å; Y233-H244 AromaticContact CE2-CE1 3.56Å; Y233-H244 AromaticContact CE2-ND1 3.2Å; Y233-H244 WeakPolarHBondContact CE2-ND1 3.43Å; N234-H244 PolarHBondContact O-CE1 3.41Å; N234-H244 PolarHBondContact O-NE2 3.09Å; D237-H244 PolarHBondContact O-NE2 3.11Å; D240-H244 PolarHBondContact O-CD2 3.4Å; M241-H244 PolarHBondContact O-N 2.93Å; T242-H244 VanDerWaalsContact C-N 3.26Å; T242-H244 PolarHBondContact O-N 3.11Å
245	L	94.1	Very high	92.2	Very high	13 Å²	13	53 Å²	53	7%	0.068	29%	0.285	C	S	.	.			trans	-111.8	113.2	-177.7	-57.6	-175.1	0	0	0	111.8	I165 I167 M241 N247 I250 Q251	I165-L245 HydrophobicContact CD1-CD1 4.06Å; I165-L245 HydrophobicContact CD1-CD2 4.22Å; I165-L245 HydrophobicContact CG2-CD1 4.46Å; I165-L245 HydrophobicContact CG2-CD2 4.26Å; I167-L245 HydrophobicContact CD1-CD2 4.34Å; M241-L245 HydrophobicContact CB-CD1 4.22Å; M241-L245 HydrophobicContact CB-CG 4.44Å; M241-L245 HydrophobicContact CE-CD1 3.47Å; M241-L245 VanDerWaalsContact CE-CD1 3.47Å; M241-L245 HydrophobicContact CE-CD2 3.98Å; M241-L245 HydrophobicContact CE-CG 3.71Å; M241-L245 WeakPolarHBondContact O-CB 2.94Å; M241-L245 WeakPolarHBondContact O-CG 3.43Å; M241-L245 PolarHBondContact O-N 2.96Å; L245-N247 PolarHBondContact O-N 2.81Å; L245-I250 HydrophobicContact CB-CD1 3.62Å; L245-I250 HydrophobicContact CD1-CD1 3.41Å; L245-I250 VanDerWaalsContact CD1-CD1 3.41Å; L245-I250 HydrophobicContact CG-CD1 4.18Å; L245-Q251 PolarHBondContact O-NE2 3.11Å
246	T	94.5	Very high	92.3	Very high	12 Å²	12	58.1 Å²	58.1	7%	0.074	30%	0.3	C	S	.	.			trans	-84	6.4	-177.6	50.8	0	0	0	0	113.3	K203 D205 R227 H248	K203-T246 HydrophobicContact CB-CG2 4.37Å; K203-T246 HydrophobicContact CD-CG2 4.5Å; K203-T246 HydrophobicContact CG-CG2 4.12Å; D205-T246 WeakPolarHBondContact OD2-CB 3.23Å; D205-T246 PolarHBondContact OD2-OG1 2.83Å; R227-T246 WeakPolarHBondContact O-CB 3.23Å; T246-H248 PolarHBondContact O-N 2.85Å; T246-H248 VanDerWaalsContact O-N 3.11Å
247	N	90.4	Very high	92.6	Very high	43 Å²	43	55.7 Å²	55.7	23%	0.23	27%	0.274	C	S	.	.			trans	-59.3	119.5	177.1	-65.2	92.6	0	0	0	109.8	L245 C249 I250 Q251	L245-N247 PolarHBondContact O-N 2.81Å; N247-C249 PolarHBondContact O-N 3.16Å; N247-I250 HydrophobicContact CB-CB 4.29Å; N247-I250 HydrophobicContact CB-CD1 3.68Å; N247-I250 HydrophobicContact CB-CG1 3.86Å; N247-I250 WeakPolarHBondContact O-CB 3.18Å; N247-I250 PolarHBondContact O-N 3Å; N247-Q251 PolarHBondContact O-N 3.37Å
248	H	89.6	Confident	92.8	Very high	72 Å²	72	55.6 Å²	55.6	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-48.8	-38.2	-178.9	176.5	-72.6	0	0	0	114.1	T246 K252 Y258 G264	T246-H248 PolarHBondContact O-N 2.85Å; T246-H248 VanDerWaalsContact O-N 3.11Å; H248-K252 WeakPolarHBondContact O-CB 3.48Å; H248-K252 PolarHBondContact O-N 3.41Å; H248-Y258 PolarHBondContact CE1-OH 2.97Å; H248-Y258 VanDerWaalsContact CE1-OH 3.26Å; H248-Y258 AromaticContact NE2-CZ 3.95Å; H248-Y258 PolarHBondContact NE2-OH 3.42Å; H248-G264 PolarHBondContact CD2-O 3.25Å
249	C	87.9	Confident	93	Very high	42 Å²	42	56.2 Å²	56.2	28%	0.284	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-42.8	176.6	47.9	0	0	0	0	113	K161 N247 E253	K161-C249 VanDerWaalsContact CA-SG 3.53Å; K161-C249 HydrophobicContact CB-CB 4.45Å; N247-C249 PolarHBondContact O-N 3.16Å; C249-E253 WeakPolarHBondContact O-CB 3.27Å; C249-E253 PolarHBondContact O-N 3.4Å
250	I	90.2	Very high	93.5	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.062	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-47	177.4	-58.7	175.9	0	0	0	109.6	G162 L245 N247 K252 E253 H254	G162-I250 VanDerWaalsContact CA-CD1 3.49Å; L245-I250 HydrophobicContact CB-CD1 3.62Å; L245-I250 HydrophobicContact CD1-CD1 3.41Å; L245-I250 VanDerWaalsContact CD1-CD1 3.41Å; L245-I250 HydrophobicContact CG-CD1 4.18Å; N247-I250 HydrophobicContact CB-CB 4.29Å; N247-I250 HydrophobicContact CB-CD1 3.68Å; N247-I250 HydrophobicContact CB-CG1 3.86Å; N247-I250 WeakPolarHBondContact O-CB 3.18Å; N247-I250 PolarHBondContact O-N 3Å; I250-K252 PolarHBondContact O-N 3.45Å; I250-E253 PolarHBondContact O-N 2.92Å; I250-H254 WeakPolarHBondContact O-CB 3.45Å; I250-H254 PolarHBondContact O-CD2 3.35Å; I250-H254 PolarHBondContact O-N 2.78Å
251	Q	95.4	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-48.3	178.8	-67	-61.9	-49	0	0	111.2	S230 T242 L245 N247 E253 S255 Y258	S230-Q251 PolarHBondContact OG-OE1 2.94Å; T242-Q251 PolarHBondContact O-NE2 2.78Å; L245-Q251 PolarHBondContact O-NE2 3.11Å; N247-Q251 PolarHBondContact O-N 3.37Å; Q251-E253 VanDerWaalsContact C-N 3.29Å; Q251-E253 PolarHBondContact O-N 2.92Å; Q251-S255 WeakPolarHBondContact O-CB 3.44Å; Q251-S255 PolarHBondContact O-N 3.46Å; Q251-Y258 HydrophobicContact CB-CD2 3.9Å; Q251-Y258 HydrophobicContact CB-CE2 4.28Å
252	K	94.1	Very high	94.3	Very high	137 Å²	137	56.3 Å²	56.3	60%	0.596	27%	0.269	S	S	*	.	H	α-helix	trans	-64	-32.1	179.1	-175.5	170.1	-179.4	170.8	0	113.6	H248 I250 Y258	H248-K252 WeakPolarHBondContact O-CB 3.48Å; H248-K252 PolarHBondContact O-N 3.41Å; I250-K252 PolarHBondContact O-N 3.45Å; K252-Y258 HydrophobicContact CB-CD1 4.46Å; K252-Y258 HydrophobicContact CB-CD2 4.22Å; K252-Y258 HydrophobicContact CB-CE1 4.17Å; K252-Y258 HydrophobicContact CB-CE2 3.91Å; K252-Y258 HydrophobicContact CB-CG 4.47Å; K252-Y258 HydrophobicContact CD-CE1 4.3Å; K252-Y258 HydrophobicContact CG-CD1 4.34Å; K252-Y258 HydrophobicContact CG-CE1 3.96Å
253	E	93.4	Very high	94.5	Very high	144 Å²	144	63.9 Å²	63.9	67%	0.673	30%	0.303	S	S	*	.	H	α-helix	trans	-86.8	-37.1	-176.7	-171.9	171.1	166.9	0	0	112.9	C249 I250 Q251	C249-E253 WeakPolarHBondContact O-CB 3.27Å; C249-E253 PolarHBondContact O-N 3.4Å; I250-E253 PolarHBondContact O-N 2.92Å; Q251-E253 VanDerWaalsContact C-N 3.29Å; Q251-E253 PolarHBondContact O-N 2.92Å
254	H	93.4	Very high	94.6	Very high	108 Å²	108	64.7 Å²	64.7	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-117	-24	-167.8	-57.7	-63.3	0	0	0	114.8	T242 I250	T242-H254 HydrophobicContact CG2-CB 4.18Å; I250-H254 WeakPolarHBondContact O-CB 3.45Å; I250-H254 PolarHBondContact O-CD2 3.35Å; I250-H254 PolarHBondContact O-N 2.78Å
255	S	96.1	Very high	94.8	Very high	12 Å²	12	64.8 Å²	64.8	8%	0.084	31%	0.312	C	S	.	.			trans	-78.9	128	179.2	177.8	0	0	0	0	111	S230 E231 Q251 N257 Y258	S230-S255 VanDerWaalsContact OG-CB 3.32Å; S230-S255 WeakPolarHBondContact OG-CB 3.37Å; S230-S255 PolarHBondContact OG-OG 2.89Å; E231-S255 WeakPolarHBondContact OE1-CA 3.22Å; E231-S255 WeakPolarHBondContact OE1-CB 3.38Å; E231-S255 PolarHBondContact OE1-OG 2.9Å; Q251-S255 WeakPolarHBondContact O-CB 3.44Å; Q251-S255 PolarHBondContact O-N 3.46Å; S255-N257 PolarHBondContact O-N 2.66Å; S255-N257 PolarHBondContact OG-N 2.8Å; S255-Y258 PolarHBondContact OG-N 3.5Å
256	Q	95.5	Very high	95	Very high	190 Å²	190	66.3 Å²	66.3	89%	0.888	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.6	173	-62.8	-176	-0.5	0	0	111.7	E231	E231-Q256 PolarHBondContact OE1-N 2.93Å
257	N	97.5	Very high	95.1	Very high	40 Å²	40	66.2 Å²	66.2	21%	0.214	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	10.5	-178.9	-68.7	-69.1	0	0	0	113.3	S230 E231 S255 G259 R260	S230-N257 VanDerWaalsContact CB-C 3.44Å; S230-N257 WeakPolarHBondContact CB-O 3.46Å; S230-N257 VanDerWaalsContact O-CB 3.26Å; S230-N257 WeakPolarHBondContact O-CB 3.25Å; E231-N257 PolarHBondContact OE1-N 2.79Å; E231-N257 PolarHBondContact OE1-ND2 2.9Å; E231-N257 PolarHBondContact OE2-ND2 3.1Å; S255-N257 PolarHBondContact O-N 2.66Å; S255-N257 PolarHBondContact OG-N 2.8Å; N257-G259 PolarHBondContact O-N 3.46Å; N257-R260 HydrophobicContact CB-CB 4.31Å; N257-R260 WeakPolarHBondContact O-CB 3.27Å; N257-R260 PolarHBondContact O-N 3.36Å; N257-R260 WeakPolarHBondContact OD1-CD 3.48Å; N257-R260 PolarHBondContact OD1-NH1 3.46Å
258	Y	97.8	Very high	95.5	Very high	64 Å²	64	65.7 Å²	65.7	25%	0.251	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	127.8	-178.1	-179.9	-100.4	0	0	0	111.9	S230 H248 Q251 K252 S255 R260 G264 N265	S230-Y258 WeakPolarHBondContact OG-CA 3.22Å; S230-Y258 PolarHBondContact OG-N 3.35Å; H248-Y258 PolarHBondContact CE1-OH 2.97Å; H248-Y258 VanDerWaalsContact CE1-OH 3.26Å; H248-Y258 AromaticContact NE2-CZ 3.95Å; H248-Y258 PolarHBondContact NE2-OH 3.42Å; Q251-Y258 HydrophobicContact CB-CD2 3.9Å; Q251-Y258 HydrophobicContact CB-CE2 4.28Å; K252-Y258 HydrophobicContact CB-CD1 4.46Å; K252-Y258 HydrophobicContact CB-CD2 4.22Å; K252-Y258 HydrophobicContact CB-CE1 4.17Å; K252-Y258 HydrophobicContact CB-CE2 3.91Å; K252-Y258 HydrophobicContact CB-CG 4.47Å; K252-Y258 HydrophobicContact CD-CE1 4.3Å; K252-Y258 HydrophobicContact CG-CD1 4.34Å; K252-Y258 HydrophobicContact CG-CE1 3.96Å; S255-Y258 PolarHBondContact OG-N 3.5Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 2.78Å; Y258-G264 WeakPolarHBondContact CE2-O 3.41Å; Y258-G264 WeakPolarHBondContact OH-CA 3.38Å; Y258-G264 PolarHBondContact OH-O 3.42Å; Y258-N265 HydrophobicContact CD2-CB 4.24Å; Y258-N265 WeakPolarHBondContact CD2-OD1 3.5Å; Y258-N265 HydrophobicContact CE2-CB 4Å
259	G	96.8	Very high	95.9	Very high	33 Å²	33	62.5 Å²	62.5	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	5	-177.3	0	0	0	0	0	115.2	N257 E262 N265	N257-G259 PolarHBondContact O-N 3.46Å; G259-E262 WeakPolarHBondContact CA-O 3.28Å; G259-N265 PolarHBondContact N-OD1 3.44Å
260	R	97.8	Very high	96.4	Very high	161 Å²	161	65.3 Å²	65.3	61%	0.608	31%	0.311	S	S	*	.	S	Bend	trans	-65.7	-39	-176	175	175.6	175.4	174.8	-2.9	114.1	N257 Y258	N257-R260 HydrophobicContact CB-CB 4.31Å; N257-R260 WeakPolarHBondContact O-CB 3.27Å; N257-R260 PolarHBondContact O-N 3.36Å; N257-R260 WeakPolarHBondContact OD1-CD 3.48Å; N257-R260 PolarHBondContact OD1-NH1 3.46Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 2.78Å
261	Y	97.9	Very high	96.7	Very high	62 Å²	62	69 Å²	69	24%	0.243	33%	0.327	C	S	.	.	S	Bend	trans	-101.9	-44.1	-172.1	-57.7	-87.8	0	0	0	111.5	P199 R202	P199-Y261 HydrophobicContact CG-CE1 4.45Å; P199-Y261 WeakPolarHBondContact O-CE1 3.25Å; R202-Y261 VanDerWaalsContact CZ-CD2 3.42Å; R202-Y261 VanDerWaalsContact NH2-CB 3.28Å; R202-Y261 VanDerWaalsContact NH2-CG 3.29Å
262	E	97.5	Very high	96.9	Very high	14 Å²	14	69 Å²	69	7%	0.065	33%	0.327	C	S	.	.	S	Bend	trans	-139	148.8	177.9	51.6	-84.5	169.4	0	0	109.5	R202 T228 G259 G264 N265 M267	R202-E262 IonicContact CZ-OE1 3.75Å; R202-E262 IonicContact CZ-OE2 3.95Å; R202-E262 IonicContact NH1-OE1 3.4Å; R202-E262 PolarHBondContact NH1-OE1 2.95Å; R202-E262 IonicContact NH1-OE2 2.72Å; R202-E262 IonicContact NH2-OE1 3.79Å; R202-E262 IonicContact NH2-OE2 3.3Å; R202-E262 PolarHBondContact NH2-OE2 2.99Å; T228-E262 WeakPolarHBondContact CB-OE1 3.5Å; T228-E262 VanDerWaalsContact CG2-OE1 3.23Å; T228-E262 WeakPolarHBondContact CG2-OE1 3.26Å; T228-E262 PolarHBondContact OG1-OE1 2.82Å; G259-E262 WeakPolarHBondContact CA-O 3.28Å; E262-G264 PolarHBondContact O-N 3.18Å; E262-N265 PolarHBondContact O-N 3.36Å; E262-M267 HydrophobicContact CG-CB 4.22Å
263	E	96.6	Very high	97.1	Very high	182 Å²	182	65.3 Å²	65.3	85%	0.85	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-58	125.5	-178.6	-173	-179.3	178.9	0	0	110.3	N265 E266	E263-N265 PolarHBondContact O-N 3.28Å; E263-N265 VanDerWaalsContact O-N 3.14Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.14Å
264	G	95.9	Very high	97.3	Very high	17 Å²	17	63.4 Å²	63.4	18%	0.175	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	66.3	13.3	176.7	0	0	0	0	0	115.8	H248 Y258 E262 E266	H248-G264 PolarHBondContact CD2-O 3.25Å; Y258-G264 WeakPolarHBondContact CE2-O 3.41Å; Y258-G264 WeakPolarHBondContact OH-CA 3.38Å; Y258-G264 PolarHBondContact OH-O 3.42Å; E262-G264 PolarHBondContact O-N 3.18Å; G264-E266 PolarHBondContact O-N 2.91Å
265	N	98	Very high	97.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	58.5	35.4	-169.7	-70.6	24.5	0	0	0	112.8	T228 S230 Y258 G259 E262 E263	T228-N265 PolarHBondContact N-O 3.31Å; T228-N265 WeakPolarHBondContact O-CB 3.38Å; T228-N265 PolarHBondContact O-ND2 3.38Å; T228-N265 WeakPolarHBondContact OG1-CA 3.26Å; T228-N265 WeakPolarHBondContact OG1-CB 3.34Å; T228-N265 PolarHBondContact OG1-O 3Å; S230-N265 WeakPolarHBondContact CB-ND2 3.41Å; S230-N265 PolarHBondContact N-ND2 2.9Å; S230-N265 PolarHBondContact OG-ND2 3Å; Y258-N265 HydrophobicContact CD2-CB 4.24Å; Y258-N265 WeakPolarHBondContact CD2-OD1 3.5Å; Y258-N265 HydrophobicContact CE2-CB 4Å; G259-N265 PolarHBondContact N-OD1 3.44Å; E262-N265 PolarHBondContact O-N 3.36Å; E263-N265 PolarHBondContact O-N 3.28Å; E263-N265 VanDerWaalsContact O-N 3.14Å
266	E	97.9	Very high	97.7	Very high	45 Å²	45	58.9 Å²	58.9	21%	0.21	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	103.7	178.6	-67.3	-168	147.4	0	0	110.4	V225 L226 E263 G264 F268 A344	V225-E266 HydrophobicContact CG2-CB 3.65Å; V225-E266 HydrophobicContact CG2-CG 3.94Å; L226-E266 WeakPolarHBondContact O-CA 3.43Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.14Å; G264-E266 PolarHBondContact O-N 2.91Å; E266-F268 HydrophobicContact CB-CE2 4.33Å; E266-F268 HydrophobicContact CB-CZ 4.24Å; E266-A344 WeakPolarHBondContact OE2-CB 3.23Å
267	M	98.4	Very high	97.8	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.044	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.2	172.5	175.7	-176.1	-67.8	0	0	109.5	L197 L226 T228 E262 E271 F272	L197-M267 HydrophobicContact CD1-CE 4.12Å; L197-M267 HydrophobicContact CD1-SD 4.25Å; L197-M267 HydrophobicContact CD2-SD 4.31Å; L226-M267 HydrophobicContact CB-CB 4.07Å; L226-M267 WeakPolarHBondContact CB-O 3.41Å; L226-M267 HydrophobicContact CD2-SD 4.15Å; L226-M267 PolarHBondContact N-O 2.99Å; L226-M267 PolarHBondContact O-N 3.4Å; T228-M267 HydrophobicContact CG2-CB 4.31Å; E262-M267 HydrophobicContact CG-CB 4.22Å; M267-E271 HydrophobicContact CE-CG 4.28Å; M267-E271 HydrophobicContact CG-CB 3.98Å; M267-E271 HydrophobicContact CG-CG 3.94Å; M267-E271 HydrophobicContact SD-CG 4.26Å; M267-F272 HydrophobicContact CG-CB 4.46Å; M267-F272 HydrophobicContact SD-CB 4.21Å; M267-F272 HydrophobicContact SD-CD2 4.29Å
268	F	98.1	Very high	97.9	Very high	33 Å²	33	57.9 Å²	57.9	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.4	-177.2	-63.1	-82.4	0	0	0	112.1	V225 E266 D270 E271 F272 A344 K346 L347	V225-F268 HydrophobicContact CB-CD1 4.38Å; V225-F268 HydrophobicContact CB-CE1 4.28Å; V225-F268 HydrophobicContact CG2-CD1 4.28Å; V225-F268 HydrophobicContact CG2-CE1 4.01Å; V225-F268 HydrophobicContact CG2-CZ 4.43Å; E266-F268 HydrophobicContact CB-CE2 4.33Å; E266-F268 HydrophobicContact CB-CZ 4.24Å; F268-D270 VanDerWaalsContact C-N 3.29Å; F268-D270 PolarHBondContact O-N 2.72Å; F268-E271 PolarHBondContact O-N 2.72Å; F268-E271 VanDerWaalsContact O-N 3.15Å; F268-F272 PolarHBondContact O-N 3.35Å; F268-A344 HydrophobicContact CE1-CB 3.94Å; F268-A344 HydrophobicContact CZ-CB 4.17Å; F268-K346 HydrophobicContact CE2-CD 4.07Å; F268-K346 HydrophobicContact CZ-CB 4.18Å; F268-K346 HydrophobicContact CZ-CD 4.17Å; F268-L347 HydrophobicContact CD1-CD1 4.06Å; F268-L347 HydrophobicContact CD1-CD2 4.41Å; F268-L347 HydrophobicContact CD1-CG 4.38Å; F268-L347 HydrophobicContact CE1-CD1 3.76Å; F268-L347 HydrophobicContact CE1-CD2 4.28Å; F268-L347 HydrophobicContact CE1-CG 3.87Å
269	F	98	Very high	97.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-33.4	-174.9	-80	0.6	0	0	0	114.4	I206 G224 L226 F272 R273 L284 L289	I206-F269 HydrophobicContact CG2-CE1 3.9Å; I206-F269 HydrophobicContact CG2-CZ 4.08Å; G224-F269 VanDerWaalsContact CA-CZ 3.44Å; G224-F269 VanDerWaalsContact N-CD2 3.27Å; G224-F269 VanDerWaalsContact N-CE2 3.27Å; L226-F269 HydrophobicContact CD1-CD1 4.07Å; L226-F269 HydrophobicContact CD1-CE1 4.08Å; F269-F272 PolarHBondContact O-N 3.31Å; F269-R273 WeakPolarHBondContact O-CB 3.05Å; F269-R273 WeakPolarHBondContact O-CG 3.16Å; F269-R273 PolarHBondContact O-N 2.98Å; F269-L284 HydrophobicContact CB-CD2 3.91Å; F269-L284 HydrophobicContact CD1-CD2 4.07Å; F269-L284 HydrophobicContact CD2-CD2 3.96Å; F269-L284 HydrophobicContact CE2-CD2 4.46Å; F269-L284 HydrophobicContact CG-CD2 3.73Å; F269-L289 HydrophobicContact CE2-CD2 3.96Å; F269-L289 HydrophobicContact CZ-CD2 4.29Å
270	D	97.2	Very high	97.9	Very high	101 Å²	101	60 Å²	60	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-45.5	176	-73	-21.6	0	0	0	112.4	F268 R273 L274	F268-D270 VanDerWaalsContact C-N 3.29Å; F268-D270 PolarHBondContact O-N 2.72Å; D270-R273 IonicContact OD1-CZ 3.18Å; D270-R273 IonicContact OD1-NH1 2.77Å; D270-R273 PolarHBondContact OD1-NH1 2.78Å; D270-L274 WeakPolarHBondContact O-CG 3.39Å; D270-L274 PolarHBondContact O-N 2.63Å
271	E	98.3	Very high	97.9	Very high	89 Å²	89	58.9 Å²	58.9	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-68.8	-42.8	176.8	-175.1	176	179.8	0	0	111.1	M267 F268 R273 L274 Y275	M267-E271 HydrophobicContact CE-CG 4.28Å; M267-E271 HydrophobicContact CG-CB 3.98Å; M267-E271 HydrophobicContact CG-CG 3.94Å; M267-E271 HydrophobicContact SD-CG 4.26Å; F268-E271 PolarHBondContact O-N 2.72Å; F268-E271 VanDerWaalsContact O-N 3.15Å; E271-R273 VanDerWaalsContact C-N 3.33Å; E271-R273 PolarHBondContact O-N 3.06Å; E271-L274 PolarHBondContact O-N 3.44Å; E271-Y275 PolarHBondContact O-N 2.84Å
272	F	98.5	Very high	97.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-34.5	179.1	-173.1	-132.2	0	0	0	113	L197 F204 I206 L226 M267 F268 F269 Y275 L276 L284 I288	L197-F272 HydrophobicContact CD2-CD2 4.35Å; L197-F272 HydrophobicContact CD2-CE2 4.18Å; F204-F272 HydrophobicContact CE2-CE2 4.42Å; F204-F272 HydrophobicContact CE2-CZ 4.07Å; F204-F272 HydrophobicContact CZ-CE2 4.03Å; F204-F272 AromaticContact CZ-CZ 3.83Å; F204-F272 HydrophobicContact CZ-CZ 3.83Å; I206-F272 HydrophobicContact CD1-CE1 4.14Å; L226-F272 HydrophobicContact CD1-CB 4.05Å; L226-F272 HydrophobicContact CD1-CD1 3.73Å; L226-F272 HydrophobicContact CD1-CE1 4.28Å; L226-F272 HydrophobicContact CD1-CG 3.88Å; L226-F272 HydrophobicContact CD2-CB 4.14Å; L226-F272 HydrophobicContact CD2-CD1 3.95Å; L226-F272 HydrophobicContact CD2-CD2 3.4Å; L226-F272 VanDerWaalsContact CD2-CD2 3.4Å; L226-F272 HydrophobicContact CD2-CE1 4.14Å; L226-F272 HydrophobicContact CD2-CE2 3.66Å; L226-F272 HydrophobicContact CD2-CG 3.57Å; L226-F272 HydrophobicContact CD2-CZ 4.01Å; L226-F272 HydrophobicContact CG-CD1 4.45Å; L226-F272 HydrophobicContact CG-CG 4.4Å; M267-F272 HydrophobicContact CG-CB 4.46Å; M267-F272 HydrophobicContact SD-CB 4.21Å; M267-F272 HydrophobicContact SD-CD2 4.29Å; F268-F272 PolarHBondContact O-N 3.35Å; F269-F272 PolarHBondContact O-N 3.31Å; F272-Y275 AromaticContact CD2-CD1 4Å; F272-Y275 HydrophobicContact CD2-CD1 4Å; F272-Y275 AromaticContact CE2-CD1 3.96Å; F272-Y275 HydrophobicContact CE2-CD1 3.96Å; F272-Y275 HydrophobicContact CE2-CE1 4.49Å; F272-Y275 PolarHBondContact O-N 3.24Å; F272-L276 HydrophobicContact CD1-CD1 3.91Å; F272-L276 HydrophobicContact CD1-CG 4.47Å; F272-L276 HydrophobicContact CD2-CD1 4.42Å; F272-L276 HydrophobicContact CD2-CG 4.11Å; F272-L276 HydrophobicContact CE1-CD1 3.6Å; F272-L276 HydrophobicContact CE1-CG 4.19Å; F272-L276 HydrophobicContact CE2-CD1 4.13Å; F272-L276 HydrophobicContact CE2-CD2 3.83Å; F272-L276 HydrophobicContact CE2-CG 3.76Å; F272-L276 HydrophobicContact CG-CD1 4.33Å; F272-L276 HydrophobicContact CG-CG 4.45Å; F272-L276 HydrophobicContact CZ-CD1 3.71Å; F272-L276 HydrophobicContact CZ-CD2 3.77Å; F272-L276 HydrophobicContact CZ-CG 3.81Å; F272-L276 WeakPolarHBondContact O-CG 3.38Å; F272-L276 PolarHBondContact O-N 3.19Å; F272-L284 HydrophobicContact CD1-CD1 4.04Å; F272-L284 HydrophobicContact CD1-CD2 4.45Å; F272-L284 HydrophobicContact CE1-CD1 4.03Å; F272-I288 HydrophobicContact CE1-CD1 3.91Å; F272-I288 HydrophobicContact CZ-CD1 3.98Å
273	R	98.4	Very high	97.9	Very high	61 Å²	61	58.7 Å²	58.7	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-58.1	-48.9	171.4	-79.8	168.9	-170.4	112.2	8.8	111.2	F269 D270 E271 Y275 L276 L277 L284 E285	F269-R273 WeakPolarHBondContact O-CB 3.05Å; F269-R273 WeakPolarHBondContact O-CG 3.16Å; F269-R273 PolarHBondContact O-N 2.98Å; D270-R273 IonicContact OD1-CZ 3.18Å; D270-R273 IonicContact OD1-NH1 2.77Å; D270-R273 PolarHBondContact OD1-NH1 2.78Å; E271-R273 VanDerWaalsContact C-N 3.33Å; E271-R273 PolarHBondContact O-N 3.06Å; R273-Y275 VanDerWaalsContact C-N 3.34Å; R273-L276 PolarHBondContact O-N 2.77Å; R273-L277 WeakPolarHBondContact O-CB 3.18Å; R273-L277 PolarHBondContact O-N 3.26Å; R273-L284 HydrophobicContact CG-CB 3.82Å; R273-L284 HydrophobicContact CG-CD2 3.8Å; R273-L284 HydrophobicContact CG-CG 4.44Å; R273-E285 IonicContact CZ-OE1 3.95Å; R273-E285 IonicContact NE-OE1 3.39Å; R273-E285 PolarHBondContact NE-OE1 3.18Å; R273-E285 IonicContact NE-OE2 2.93Å; R273-E285 IonicContact NH2-OE1 3.9Å; R273-E285 PolarHBondContact NH2-OE1 2.77Å
274	L	98.4	Very high	98	Very high	104 Å²	104	50 Å²	50	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-41.7	178.8	-65.7	174.9	0	0	0	110.9	D270 E271 L277 N278	D270-L274 WeakPolarHBondContact O-CG 3.39Å; D270-L274 PolarHBondContact O-N 2.63Å; E271-L274 PolarHBondContact O-N 3.44Å; L274-L277 PolarHBondContact O-N 3.11Å; L274-N278 VanDerWaalsContact O-CB 3.27Å; L274-N278 WeakPolarHBondContact O-CB 3.46Å; L274-N278 PolarHBondContact O-N 3.13Å; L274-N278 PolarHBondContact O-ND2 3.45Å; L274-N278 VanDerWaalsContact O-ND2 3.16Å
275	Y	98.6	Very high	98	Very high	25 Å²	25	53.3 Å²	53.3	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-52.5	175	174.4	-97.1	0	0	0	112.1	L196 L197 E198 E271 F272 R273 L277 N278 T279 H280	L196-Y275 PolarHBondContact O-OH 2.92Å; L196-Y275 VanDerWaalsContact O-OH 3.06Å; L197-Y275 WeakPolarHBondContact CA-OH 2.86Å; L197-Y275 HydrophobicContact CD2-CD1 3.79Å; L197-Y275 HydrophobicContact CD2-CE1 3.57Å; L197-Y275 HydrophobicContact CD2-CE2 4.39Å; L197-Y275 HydrophobicContact CD2-CG 4.29Å; E198-Y275 PolarHBondContact N-OH 2.84Å; E198-Y275 VanDerWaalsContact O-CE2 3.26Å; E198-Y275 WeakPolarHBondContact O-CE2 3.05Å; E271-Y275 PolarHBondContact O-N 2.84Å; F272-Y275 AromaticContact CD2-CD1 4Å; F272-Y275 HydrophobicContact CD2-CD1 4Å; F272-Y275 AromaticContact CE2-CD1 3.96Å; F272-Y275 HydrophobicContact CE2-CD1 3.96Å; F272-Y275 HydrophobicContact CE2-CE1 4.49Å; F272-Y275 PolarHBondContact O-N 3.24Å; R273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-L277 VanDerWaalsContact C-N 3.32Å; Y275-L277 PolarHBondContact O-N 3.03Å; Y275-N278 PolarHBondContact O-N 3.22Å; Y275-T279 WeakPolarHBondContact CD2-OG1 3.2Å; Y275-T279 HydrophobicContact CE2-CG2 4.06Å; Y275-T279 WeakPolarHBondContact CE2-OG1 3.3Å; Y275-T279 WeakPolarHBondContact O-CB 3.29Å; Y275-T279 PolarHBondContact O-N 3.19Å; Y275-T279 PolarHBondContact O-OG1 2.83Å; Y275-T279 VanDerWaalsContact O-OG1 3.08Å; Y275-H280 AromaticContact CE1-CD2 3.77Å; Y275-H280 AromaticContact CE1-NE2 3.56Å; Y275-H280 AromaticContact CZ-NE2 3.68Å; Y275-H280 PolarHBondContact OH-NE2 3.24Å
276	L	98.6	Very high	98	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-41.8	-179.4	-71.3	170.6	0	0	0	112.1	L195 F272 R273 H280 N281 V282 L284 I288 F330	L195-L276 HydrophobicContact CD2-CD2 4.22Å; F272-L276 HydrophobicContact CD1-CD1 3.91Å; F272-L276 HydrophobicContact CD1-CG 4.47Å; F272-L276 HydrophobicContact CD2-CD1 4.42Å; F272-L276 HydrophobicContact CD2-CG 4.11Å; F272-L276 HydrophobicContact CE1-CD1 3.6Å; F272-L276 HydrophobicContact CE1-CG 4.19Å; F272-L276 HydrophobicContact CE2-CD1 4.13Å; F272-L276 HydrophobicContact CE2-CD2 3.83Å; F272-L276 HydrophobicContact CE2-CG 3.76Å; F272-L276 HydrophobicContact CG-CD1 4.33Å; F272-L276 HydrophobicContact CG-CG 4.45Å; F272-L276 HydrophobicContact CZ-CD1 3.71Å; F272-L276 HydrophobicContact CZ-CD2 3.77Å; F272-L276 HydrophobicContact CZ-CG 3.81Å; F272-L276 WeakPolarHBondContact O-CG 3.38Å; F272-L276 PolarHBondContact O-N 3.19Å; R273-L276 PolarHBondContact O-N 2.77Å; L276-H280 CarbonylContact O-C 3.43Å; L276-H280 WeakPolarHBondContact O-CA 3.17Å; L276-H280 WeakPolarHBondContact O-CB 3.39Å; L276-H280 PolarHBondContact O-N 3.39Å; L276-N281 PolarHBondContact O-N 2.89Å; L276-N281 VanDerWaalsContact O-N 3.07Å; L276-V282 CarbonylContact C-O 3.09Å; L276-V282 VanDerWaalsContact CB-O 3.24Å; L276-V282 WeakPolarHBondContact CB-O 3.35Å; L276-V282 PolarHBondContact O-N 3.05Å; L276-V282 VanDerWaalsContact O-N 3.11Å; L276-L284 HydrophobicContact CD1-CB 3.99Å; L276-L284 HydrophobicContact CD1-CD1 4.37Å; L276-I288 HydrophobicContact CD1-CD1 3.8Å; L276-I288 HydrophobicContact CD2-CD1 4.21Å; L276-F330 HydrophobicContact CD2-CD1 4.18Å; L276-F330 HydrophobicContact CD2-CE1 3.79Å
277	L	98.3	Very high	98	Very high	82 Å²	82	57.9 Å²	57.9	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-48.5	-179.5	-178.4	62	0	0	0	111.1	R273 L274 Y275 N281 V282	R273-L277 WeakPolarHBondContact O-CB 3.18Å; R273-L277 PolarHBondContact O-N 3.26Å; L274-L277 PolarHBondContact O-N 3.11Å; Y275-L277 VanDerWaalsContact C-N 3.32Å; Y275-L277 PolarHBondContact O-N 3.03Å; L277-N281 VanDerWaalsContact O-CA 3.22Å; L277-N281 WeakPolarHBondContact O-CA 3.49Å; L277-N281 PolarHBondContact O-N 3.29Å; L277-V282 WeakPolarHBondContact CA-O 3.39Å; L277-V282 PolarHBondContact N-O 2.89Å; L277-V282 VanDerWaalsContact N-O 3.14Å
278	N	98.2	Very high	98	Very high	127 Å²	127	57.4 Å²	57.4	68%	0.679	30%	0.301	S	S	*	.	H	α-helix	trans	-75.8	-37.8	-173.7	-66.2	-25	0	0	0	112.6	L274 Y275	L274-N278 VanDerWaalsContact O-CB 3.27Å; L274-N278 WeakPolarHBondContact O-CB 3.46Å; L274-N278 PolarHBondContact O-N 3.13Å; L274-N278 PolarHBondContact O-ND2 3.45Å; L274-N278 VanDerWaalsContact O-ND2 3.16Å; Y275-N278 PolarHBondContact O-N 3.22Å
279	T	97.6	Very high	98	Very high	73 Å²	73	56.6 Å²	56.6	45%	0.448	30%	0.298	S	S	.	.	H	α-helix	trans	-89.5	-34.3	-174.5	-51.6	0	0	0	0	112.2	Y275	Y275-T279 WeakPolarHBondContact CD2-OG1 3.2Å; Y275-T279 HydrophobicContact CE2-CG2 4.06Å; Y275-T279 WeakPolarHBondContact CE2-OG1 3.3Å; Y275-T279 WeakPolarHBondContact O-CB 3.29Å; Y275-T279 PolarHBondContact O-N 3.19Å; Y275-T279 PolarHBondContact O-OG1 2.83Å; Y275-T279 VanDerWaalsContact O-OG1 3.08Å
280	H	97.4	Very high	98.1	Very high	67 Å²	67	59.2 Å²	59.2	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-124.4	-5.7	-170.7	-58.7	-69.9	0	0	0	114.3	Y275 L276 V282 F330	Y275-H280 AromaticContact CE1-CD2 3.77Å; Y275-H280 AromaticContact CE1-NE2 3.56Å; Y275-H280 AromaticContact CZ-NE2 3.68Å; Y275-H280 PolarHBondContact OH-NE2 3.24Å; L276-H280 CarbonylContact O-C 3.43Å; L276-H280 WeakPolarHBondContact O-CA 3.17Å; L276-H280 WeakPolarHBondContact O-CB 3.39Å; L276-H280 PolarHBondContact O-N 3.39Å; H280-V282 HydrophobicContact CB-CB 4.22Å; H280-V282 HydrophobicContact CB-CG2 4.17Å; H280-V282 PolarHBondContact O-N 2.65Å; H280-F330 HydrophobicContact CB-CE1 4.15Å; H280-F330 HydrophobicContact CB-CZ 3.58Å; H280-F330 AromaticContact CG-CZ 3.56Å; H280-F330 AromaticContact ND1-CZ 3.82Å
281	N	97.8	Very high	98.1	Very high	139 Å²	139	57.2 Å²	57.2	74%	0.743	30%	0.303	S	S	*	.	S	Bend	trans	53.5	37.5	-171.7	-166.5	40.2	0	0	0	112.5	L276 L277	L276-N281 PolarHBondContact O-N 2.89Å; L276-N281 VanDerWaalsContact O-N 3.07Å; L277-N281 VanDerWaalsContact O-CA 3.22Å; L277-N281 WeakPolarHBondContact O-CA 3.49Å; L277-N281 PolarHBondContact O-N 3.29Å
282	V	97.8	Very high	98.2	Very high	22 Å²	22	53 Å²	53	13%	0.133	28%	0.283	C	S	.	.			trans	-118.7	146.6	-179.6	166.2	0	0	0	0	108.9	L276 L277 H280 T287 F330	L276-V282 CarbonylContact C-O 3.09Å; L276-V282 VanDerWaalsContact CB-O 3.24Å; L276-V282 WeakPolarHBondContact CB-O 3.35Å; L276-V282 PolarHBondContact O-N 3.05Å; L276-V282 VanDerWaalsContact O-N 3.11Å; L277-V282 WeakPolarHBondContact CA-O 3.39Å; L277-V282 PolarHBondContact N-O 2.89Å; L277-V282 VanDerWaalsContact N-O 3.14Å; H280-V282 HydrophobicContact CB-CB 4.22Å; H280-V282 HydrophobicContact CB-CG2 4.17Å; H280-V282 PolarHBondContact O-N 2.65Å; V282-T287 HydrophobicContact CG1-CG2 3.83Å; V282-T287 WeakPolarHBondContact CG1-OG1 3.35Å; V282-F330 HydrophobicContact CB-CE1 4.45Å; V282-F330 HydrophobicContact CG1-CD1 4.17Å; V282-F330 HydrophobicContact CG1-CE1 4.36Å; V282-F330 HydrophobicContact CG1-CG 4.42Å; V282-F330 HydrophobicContact CG2-CD2 4.21Å; V282-F330 HydrophobicContact CG2-CE1 4.38Å; V282-F330 HydrophobicContact CG2-CE2 3.93Å; V282-F330 HydrophobicContact CG2-CZ 4.03Å
283	T	97.9	Very high	98.2	Very high	50 Å²	50	56 Å²	56	31%	0.307	30%	0.296	S	S	.	.			trans	-109.2	142.4	173.7	84.6	0	0	0	0	111.6	E285 T286 T287	T283-E285 VanDerWaalsContact C-N 3.27Å; T283-E285 PolarHBondContact O-N 3.31Å; T283-T286 WeakPolarHBondContact OG1-CB 3.27Å; T283-T286 WeakPolarHBondContact OG1-CG2 3.13Å; T283-T286 PolarHBondContact OG1-N 3.36Å; T283-T286 PolarHBondContact OG1-OG1 2.95Å; T283-T287 WeakPolarHBondContact O-CB 3.48Å; T283-T287 PolarHBondContact O-N 3.44Å; T283-T287 VanDerWaalsContact O-N 3.13Å; T283-T287 PolarHBondContact O-OG1 2.85Å
284	L	98	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-58.6	-42.1	177	178.7	57.1	0	0	0	110.8	F269 F272 R273 L276 I288 L289	F269-L284 HydrophobicContact CB-CD2 3.91Å; F269-L284 HydrophobicContact CD1-CD2 4.07Å; F269-L284 HydrophobicContact CD2-CD2 3.96Å; F269-L284 HydrophobicContact CE2-CD2 4.46Å; F269-L284 HydrophobicContact CG-CD2 3.73Å; F272-L284 HydrophobicContact CD1-CD1 4.04Å; F272-L284 HydrophobicContact CD1-CD2 4.45Å; F272-L284 HydrophobicContact CE1-CD1 4.03Å; R273-L284 HydrophobicContact CG-CB 3.82Å; R273-L284 HydrophobicContact CG-CD2 3.8Å; R273-L284 HydrophobicContact CG-CG 4.44Å; L276-L284 HydrophobicContact CD1-CB 3.99Å; L276-L284 HydrophobicContact CD1-CD1 4.37Å; L284-I288 HydrophobicContact CD1-CB 3.9Å; L284-I288 HydrophobicContact CD1-CD1 4.47Å; L284-I288 HydrophobicContact CD1-CG2 3.88Å; L284-I288 PolarHBondContact O-N 3.31Å; L284-L289 HydrophobicContact CD1-CD1 4.49Å; L284-L289 HydrophobicContact CD1-CG 3.94Å; L284-L289 HydrophobicContact CD2-CD1 4.26Å; L284-L289 HydrophobicContact CG-CD1 3.8Å; L284-L289 HydrophobicContact CG-CG 3.8Å; L284-L289 WeakPolarHBondContact O-CB 3.4Å; L284-L289 PolarHBondContact O-N 2.97Å
285	E	97.2	Very high	98.2	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	28%	0.278	S	S	.	.	I	π-helix	trans	-69.3	-34.1	-174.8	-73	64.8	-145.7	0	0	114.1	R273 T283 L289 P290	R273-E285 IonicContact CZ-OE1 3.95Å; R273-E285 IonicContact NE-OE1 3.39Å; R273-E285 PolarHBondContact NE-OE1 3.18Å; R273-E285 IonicContact NE-OE2 2.93Å; R273-E285 IonicContact NH2-OE1 3.9Å; R273-E285 PolarHBondContact NH2-OE1 2.77Å; T283-E285 VanDerWaalsContact C-N 3.27Å; T283-E285 PolarHBondContact O-N 3.31Å; E285-L289 HydrophobicContact CG-CD1 4.39Å; E285-P290 WeakPolarHBondContact O-CD 3.18Å; E285-P290 WeakPolarHBondContact O-CG 3.32Å
286	T	97.6	Very high	98.2	Very high	102 Å²	102	51 Å²	51	63%	0.626	27%	0.274	S	S	*	.	I	π-helix	trans	-95.3	-26.3	-177.4	63	0	0	0	0	113.3	T283	T283-T286 WeakPolarHBondContact OG1-CB 3.27Å; T283-T286 WeakPolarHBondContact OG1-CG2 3.13Å; T283-T286 PolarHBondContact OG1-N 3.36Å; T283-T286 PolarHBondContact OG1-OG1 2.95Å
287	T	98.1	Very high	98.2	Very high	42 Å²	42	55 Å²	55	26%	0.258	29%	0.291	S	S	.	.	I	π-helix	trans	-108.4	-50.7	-169.4	-55	0	0	0	0	112.2	V282 T283 Q291 F330	V282-T287 HydrophobicContact CG1-CG2 3.83Å; V282-T287 WeakPolarHBondContact CG1-OG1 3.35Å; T283-T287 WeakPolarHBondContact O-CB 3.48Å; T283-T287 PolarHBondContact O-N 3.44Å; T283-T287 VanDerWaalsContact O-N 3.13Å; T283-T287 PolarHBondContact O-OG1 2.85Å; T287-Q291 PolarHBondContact O-NE2 3.35Å; T287-F330 HydrophobicContact CG2-CB 3.57Å; T287-F330 HydrophobicContact CG2-CG 4.24Å
288	I	98.7	Very high	98.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-98.6	-49.3	-170.4	-68.4	169.7	0	0	0	111.9	I206 F272 L276 L284 P290 Q291 I292 V326 F330 V332	I206-I288 HydrophobicContact CD1-CG2 4.1Å; F272-I288 HydrophobicContact CE1-CD1 3.91Å; F272-I288 HydrophobicContact CZ-CD1 3.98Å; L276-I288 HydrophobicContact CD1-CD1 3.8Å; L276-I288 HydrophobicContact CD2-CD1 4.21Å; L284-I288 HydrophobicContact CD1-CB 3.9Å; L284-I288 HydrophobicContact CD1-CD1 4.47Å; L284-I288 HydrophobicContact CD1-CG2 3.88Å; L284-I288 PolarHBondContact O-N 3.31Å; I288-P290 VanDerWaalsContact C-CD 3.46Å; I288-Q291 PolarHBondContact O-N 3.39Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 HydrophobicContact CG2-CG1 4.39Å; I288-I292 PolarHBondContact O-N 3.31Å; I288-I292 VanDerWaalsContact O-N 3.11Å; I288-V326 HydrophobicContact CD1-CG1 4.19Å; I288-V326 HydrophobicContact CD1-CG2 4.38Å; I288-V326 HydrophobicContact CG1-CG1 4.44Å; I288-V326 HydrophobicContact CG2-CG2 4.4Å; I288-F330 HydrophobicContact CD1-CD1 4.42Å; I288-V332 HydrophobicContact CB-CG2 4.37Å; I288-V332 HydrophobicContact CG2-CG2 3.86Å
289	L	98.4	Very high	98.2	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-36.5	-177.1	-77.8	175.7	0	0	0	114.5	F269 L284 E285 Q291 I292 K293	F269-L289 HydrophobicContact CE2-CD2 3.96Å; F269-L289 HydrophobicContact CZ-CD2 4.29Å; L284-L289 HydrophobicContact CD1-CD1 4.49Å; L284-L289 HydrophobicContact CD1-CG 3.94Å; L284-L289 HydrophobicContact CD2-CD1 4.26Å; L284-L289 HydrophobicContact CG-CD1 3.8Å; L284-L289 HydrophobicContact CG-CG 3.8Å; L284-L289 WeakPolarHBondContact O-CB 3.4Å; L284-L289 PolarHBondContact O-N 2.97Å; E285-L289 HydrophobicContact CG-CD1 4.39Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 2.81Å; L289-I292 HydrophobicContact CD2-CD1 4.42Å; L289-I292 PolarHBondContact O-N 3.16Å; L289-K293 WeakPolarHBondContact O-CB 3.24Å; L289-K293 VanDerWaalsContact O-CG 3.23Å; L289-K293 WeakPolarHBondContact O-CG 3.45Å; L289-K293 PolarHBondContact O-N 3.15Å
290	P	98.6	Very high	98.3	Very high	59 Å²	59	42.6 Å²	42.6	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-40	176.2	-26.2	37.9	0	0	0	112.4	E285 I288 K293 H294	E285-P290 WeakPolarHBondContact O-CD 3.18Å; E285-P290 WeakPolarHBondContact O-CG 3.32Å; I288-P290 VanDerWaalsContact C-CD 3.46Å; P290-K293 PolarHBondContact O-N 2.79Å; P290-H294 WeakPolarHBondContact O-CB 3.34Å; P290-H294 PolarHBondContact O-N 2.98Å
291	Q	98.7	Very high	98.3	Very high	59 Å²	59	42.5 Å²	42.5	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-44.8	176.2	-61.4	177.3	66.9	0	0	111	T287 I288 L289 K293 H294 V295 F330 V332	T287-Q291 PolarHBondContact O-NE2 3.35Å; I288-Q291 PolarHBondContact O-N 3.39Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 2.81Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.19Å; Q291-H294 WeakPolarHBondContact O-CB 3.43Å; Q291-H294 PolarHBondContact O-N 3.1Å; Q291-V295 WeakPolarHBondContact O-CG2 3.4Å; Q291-V295 PolarHBondContact O-N 2.93Å; Q291-F330 PolarHBondContact NE2-O 2.85Å; Q291-V332 HydrophobicContact CB-CB 3.78Å; Q291-V332 HydrophobicContact CB-CG2 3.77Å; Q291-V332 HydrophobicContact CG-CG2 4.42Å
292	I	98.8	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-48.8	174.4	-72.5	177.2	0	0	0	110.9	I206 I288 L289 H294 V295 I296 F324 V332	I206-I292 HydrophobicContact CD1-CD1 4.36Å; I206-I292 HydrophobicContact CG2-CD1 4.23Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 HydrophobicContact CG2-CG1 4.39Å; I288-I292 PolarHBondContact O-N 3.31Å; I288-I292 VanDerWaalsContact O-N 3.11Å; L289-I292 HydrophobicContact CD2-CD1 4.42Å; L289-I292 PolarHBondContact O-N 3.16Å; I292-H294 PolarHBondContact O-N 2.77Å; I292-V295 PolarHBondContact O-N 2.89Å; I292-I296 HydrophobicContact CG2-CD1 3.55Å; I292-I296 HydrophobicContact CG2-CG1 4.42Å; I292-I296 WeakPolarHBondContact O-CD1 3.4Å; I292-I296 VanDerWaalsContact O-CG1 3.26Å; I292-I296 WeakPolarHBondContact O-CG1 3.48Å; I292-I296 PolarHBondContact O-N 2.75Å; I292-F324 HydrophobicContact CB-CE2 4.39Å; I292-F324 HydrophobicContact CB-CZ 4.44Å; I292-F324 HydrophobicContact CD1-CD2 4.2Å; I292-F324 HydrophobicContact CG1-CD1 4.45Å; I292-F324 HydrophobicContact CG1-CD2 4.05Å; I292-F324 HydrophobicContact CG1-CE2 4.15Å; I292-F324 HydrophobicContact CG1-CG 4.2Å; I292-F324 HydrophobicContact CG1-CZ 4.41Å; I292-F324 HydrophobicContact CG2-CD2 4.36Å; I292-F324 HydrophobicContact CG2-CE2 3.7Å; I292-F324 HydrophobicContact CG2-CZ 3.96Å; I292-V332 HydrophobicContact CG1-CG1 3.82Å; I292-V332 HydrophobicContact CG1-CG2 4.39Å
293	K	98.7	Very high	98.2	Very high	65 Å²	65	36.4 Å²	36.4	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-41.3	179.4	-70.2	172	-176.1	174.4	0	112	L220 L289 P290 Q291 K297 L408	L220-K293 HydrophobicContact CD2-CG 3.78Å; L289-K293 WeakPolarHBondContact O-CB 3.24Å; L289-K293 VanDerWaalsContact O-CG 3.23Å; L289-K293 WeakPolarHBondContact O-CG 3.45Å; L289-K293 PolarHBondContact O-N 3.15Å; P290-K293 PolarHBondContact O-N 2.79Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.19Å; K293-K297 WeakPolarHBondContact O-CB 3.18Å; K293-K297 WeakPolarHBondContact O-CG 3.32Å; K293-K297 PolarHBondContact O-N 2.9Å; K293-K297 VanDerWaalsContact O-N 3.08Å; K293-L408 HydrophobicContact CB-CD2 4.22Å; K293-L408 HydrophobicContact CD-CD2 4.05Å; K293-L408 HydrophobicContact CG-CD2 3.73Å
294	H	98.4	Very high	98.2	Very high	84 Å²	84	37.7 Å²	37.7	39%	0.389	20%	0.202	S	C	.	.	H	α-helix	trans	-57.4	-54.5	174.9	176.7	68.2	0	0	0	110.7	D94 W98 P290 Q291 I292 I296 K297 S298	D94-H294 IonicContact OD2-CE1 2.7Å; D94-H294 IonicContact OD2-NE2 2.64Å; D94-H294 PolarHBondContact OD2-NE2 3.21Å; W98-H294 AromaticContact NE1-NE2 3.96Å; P290-H294 WeakPolarHBondContact O-CB 3.34Å; P290-H294 PolarHBondContact O-N 2.98Å; Q291-H294 WeakPolarHBondContact O-CB 3.43Å; Q291-H294 PolarHBondContact O-N 3.1Å; I292-H294 PolarHBondContact O-N 2.77Å; H294-I296 PolarHBondContact O-N 2.94Å; H294-K297 PolarHBondContact O-N 2.94Å; H294-S298 PolarHBondContact O-N 3.4Å; H294-S298 PolarHBondContact O-OG 2.97Å; H294-S298 VanDerWaalsContact O-OG 3.06Å
295	V	98.8	Very high	98.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-44.3	-177.9	176.9	0	0	0	0	112.1	W98 Q291 I292 K297 S298 C299 F324 L334	W98-V295 HydrophobicContact CB-CG2 3.65Å; W98-V295 HydrophobicContact CD2-CG1 4.33Å; W98-V295 HydrophobicContact CD2-CG2 3.79Å; W98-V295 HydrophobicContact CE3-CB 4.48Å; W98-V295 HydrophobicContact CE3-CG1 3.75Å; W98-V295 HydrophobicContact CE3-CG2 3.99Å; W98-V295 HydrophobicContact CG-CG2 3.65Å; W98-V295 HydrophobicContact CZ3-CG1 4.06Å; Q291-V295 WeakPolarHBondContact O-CG2 3.4Å; Q291-V295 PolarHBondContact O-N 2.93Å; I292-V295 PolarHBondContact O-N 2.89Å; V295-K297 PolarHBondContact O-N 3.32Å; V295-S298 PolarHBondContact O-N 3.11Å; V295-C299 WeakPolarHBondContact O-CB 3.32Å; V295-C299 PolarHBondContact O-N 3.33Å; V295-C299 PolarHBondContact O-SG 2.93Å; V295-C299 VanDerWaalsContact O-SG 3.37Å; V295-F324 HydrophobicContact CB-CE1 4.02Å; V295-F324 HydrophobicContact CG1-CE1 3.86Å; V295-L334 HydrophobicContact CG1-CB 3.99Å; V295-L334 HydrophobicContact CG1-CD1 4.4Å; V295-L334 HydrophobicContact CG1-CD2 3.95Å; V295-L334 HydrophobicContact CG1-CG 4.34Å
296	I	98.8	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-49.1	177.6	-69.9	164.1	0	0	0	110.8	V210 I218 L220 I292 H294 L300 F322 F324 L408	V210-I296 HydrophobicContact CB-CG2 4.43Å; V210-I296 HydrophobicContact CG1-CG2 3.8Å; V210-I296 HydrophobicContact CG2-CD1 3.65Å; V210-I296 HydrophobicContact CG2-CG1 4.07Å; V210-I296 HydrophobicContact CG2-CG2 3.85Å; I218-I296 HydrophobicContact CG2-CG2 3.93Å; L220-I296 HydrophobicContact CD1-CD1 3.96Å; I292-I296 HydrophobicContact CG2-CD1 3.55Å; I292-I296 HydrophobicContact CG2-CG1 4.42Å; I292-I296 WeakPolarHBondContact O-CD1 3.4Å; I292-I296 VanDerWaalsContact O-CG1 3.26Å; I292-I296 WeakPolarHBondContact O-CG1 3.48Å; I292-I296 PolarHBondContact O-N 2.75Å; H294-I296 PolarHBondContact O-N 2.94Å; I296-L300 HydrophobicContact CG2-CD1 3.78Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 3.35Å; I296-L300 VanDerWaalsContact O-N 3.08Å; I296-F322 HydrophobicContact CB-CE1 4.46Å; I296-F322 HydrophobicContact CG1-CD1 3.83Å; I296-F322 HydrophobicContact CG1-CD2 4.34Å; I296-F322 HydrophobicContact CG1-CE1 4.05Å; I296-F322 HydrophobicContact CG1-CG 3.99Å; I296-F322 HydrophobicContact CG1-CZ 4.41Å; I296-F322 HydrophobicContact CG2-CZ 4.39Å; I296-F324 HydrophobicContact CD1-CZ 4.38Å; I296-F324 HydrophobicContact CG1-CZ 4.02Å; I296-L408 HydrophobicContact CB-CD1 4.04Å; I296-L408 HydrophobicContact CG2-CD1 3.63Å
297	K	98.4	Very high	98.1	Very high	82 Å²	82	37.6 Å²	37.6	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-50.9	178	-75.8	179.4	174.8	-166.2	0	111.1	K293 H294 V295 C299 L300 S301 L408	K293-K297 WeakPolarHBondContact O-CB 3.18Å; K293-K297 WeakPolarHBondContact O-CG 3.32Å; K293-K297 PolarHBondContact O-N 2.9Å; K293-K297 VanDerWaalsContact O-N 3.08Å; H294-K297 PolarHBondContact O-N 2.94Å; V295-K297 PolarHBondContact O-N 3.32Å; K297-C299 PolarHBondContact O-N 3.06Å; K297-L300 PolarHBondContact O-N 3.29Å; K297-S301 VanDerWaalsContact O-CB 3.23Å; K297-S301 WeakPolarHBondContact O-CB 3.36Å; K297-S301 PolarHBondContact O-N 3.19Å; K297-S301 PolarHBondContact O-OG 3.28Å; K297-S301 VanDerWaalsContact O-OG 3.13Å; K297-L408 HydrophobicContact CD-CB 4.38Å; K297-L408 VanDerWaalsContact CE-CB 3.44Å; K297-L408 WeakPolarHBondContact CE-OXT 3.36Å; K297-L408 HydrophobicContact CG-CB 4Å; K297-L408 HydrophobicContact CG-CD1 4.25Å; K297-L408 PolarHBondContact NZ-OXT 3.12Å
298	S	98.3	Very high	98.1	Very high	23 Å²	23	37.4 Å²	37.4	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-49.5	-179.2	-61.5	0	0	0	0	111.4	L92 H294 V295 C302	L92-S298 WeakPolarHBondContact CD2-O 3.33Å; H294-S298 PolarHBondContact O-N 3.4Å; H294-S298 PolarHBondContact O-OG 2.97Å; H294-S298 VanDerWaalsContact O-OG 3.06Å; V295-S298 PolarHBondContact O-N 3.11Å; S298-C302 WeakPolarHBondContact O-CB 3.39Å; S298-C302 PolarHBondContact O-N 3.41Å; S298-C302 VanDerWaalsContact O-N 3.11Å
299	C	98.5	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-44.9	180	-70.1	0	0	0	0	113.4	L76 V295 K297 F322 I337	L76-C299 HydrophobicContact CD2-CB 4.12Å; V295-C299 WeakPolarHBondContact O-CB 3.32Å; V295-C299 PolarHBondContact O-N 3.33Å; V295-C299 PolarHBondContact O-SG 2.93Å; V295-C299 VanDerWaalsContact O-SG 3.37Å; K297-C299 PolarHBondContact O-N 3.06Å; C299-F322 HydrophobicContact CB-CE1 4.13Å; C299-F322 HydrophobicContact CB-CZ 4.47Å; C299-I337 HydrophobicContact CB-CD1 4.16Å
300	L	98.6	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-76.9	-42.6	-175.8	-70.8	170.7	0	0	0	112.1	L76 V210 V212 Y216 I218 I296 K297 C302 I303 E304 F320 F322	L76-L300 HydrophobicContact CD1-CD2 3.91Å; V210-L300 HydrophobicContact CG1-CD1 3.79Å; V212-L300 HydrophobicContact CG2-CD1 3.78Å; V212-L300 HydrophobicContact CG2-CD2 4.11Å; Y216-L300 PolarHBondContact OH-O 3.48Å; Y216-L300 VanDerWaalsContact OH-O 3.1Å; I218-L300 HydrophobicContact CB-CD1 4.46Å; I218-L300 HydrophobicContact CD1-CB 3.63Å; I218-L300 HydrophobicContact CD1-CD1 4.06Å; I218-L300 HydrophobicContact CG1-CB 4.29Å; I218-L300 HydrophobicContact CG1-CD1 4.03Å; I218-L300 HydrophobicContact CG2-CD1 3.61Å; I296-L300 HydrophobicContact CG2-CD1 3.78Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 3.35Å; I296-L300 VanDerWaalsContact O-N 3.08Å; K297-L300 PolarHBondContact O-N 3.29Å; L300-C302 VanDerWaalsContact C-N 3.27Å; L300-C302 PolarHBondContact O-N 2.95Å; L300-I303 WeakPolarHBondContact O-CG1 3.44Å; L300-I303 PolarHBondContact O-N 3.12Å; L300-E304 PolarHBondContact O-N 2.92Å; L300-F320 HydrophobicContact CD2-CD2 4.32Å; L300-F320 HydrophobicContact CD2-CE2 4.11Å; L300-F320 HydrophobicContact CD2-CZ 4.48Å; L300-F322 HydrophobicContact CD1-CE2 4.42Å; L300-F322 HydrophobicContact CD1-CZ 4.27Å; L300-F322 HydrophobicContact CD2-CZ 4.45Å; L300-F322 HydrophobicContact CG-CZ 4.11Å
301	S	97.5	Very high	97.4	Very high	65 Å²	65	48.6 Å²	48.6	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-34.9	175.5	-65	0	0	0	0	112.1	K297 I303 E304	K297-S301 VanDerWaalsContact O-CB 3.23Å; K297-S301 WeakPolarHBondContact O-CB 3.36Å; K297-S301 PolarHBondContact O-N 3.19Å; K297-S301 PolarHBondContact O-OG 3.28Å; K297-S301 VanDerWaalsContact O-OG 3.13Å; S301-I303 PolarHBondContact O-N 3.13Å; S301-E304 PolarHBondContact O-N 3.49Å
302	C	96.9	Very high	97.3	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.176	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-31.9	176.8	176.8	0	0	0	0	113.2	S89 L92 S298 L300	S89-C302 WeakPolarHBondContact CB-SG 3.29Å; S89-C302 PolarHBondContact OG-SG 3.01Å; L92-C302 HydrophobicContact CD1-CB 4.13Å; L92-C302 HydrophobicContact CD2-CB 4.09Å; L92-C302 HydrophobicContact CG-CB 4.12Å; S298-C302 WeakPolarHBondContact O-CB 3.39Å; S298-C302 PolarHBondContact O-N 3.41Å; S298-C302 VanDerWaalsContact O-N 3.11Å; L300-C302 VanDerWaalsContact C-N 3.27Å; L300-C302 PolarHBondContact O-N 2.95Å
303	I	97.1	Very high	97.2	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-102.6	-3.6	-177.5	67	154.3	0	0	0	114	L76 L85 L300 S301 A305 A306 I307	L76-I303 HydrophobicContact CD1-CD1 3.25Å; L76-I303 HydrophobicContact CD1-CG1 3.82Å; L76-I303 HydrophobicContact CD2-CG2 4.31Å; L76-I303 HydrophobicContact CG-CD1 3.76Å; L76-I303 HydrophobicContact CG-CG1 4.35Å; L76-I303 HydrophobicContact CG-CG2 4.2Å; L85-I303 HydrophobicContact CD1-CG2 4.07Å; L85-I303 HydrophobicContact CD2-CG2 3.55Å; L85-I303 HydrophobicContact CG-CG2 4.44Å; L300-I303 WeakPolarHBondContact O-CG1 3.44Å; L300-I303 PolarHBondContact O-N 3.12Å; S301-I303 PolarHBondContact O-N 3.13Å; I303-A305 PolarHBondContact O-N 2.81Å; I303-A306 WeakPolarHBondContact O-CA 3.45Å; I303-A306 WeakPolarHBondContact O-CB 3.41Å; I303-A306 PolarHBondContact O-N 3.2Å; I303-I307 HydrophobicContact CD1-CD1 3.42Å; I303-I307 VanDerWaalsContact CD1-CD1 3.42Å; I303-I307 HydrophobicContact CD1-CG1 3.89Å; I303-I307 HydrophobicContact CD1-CG2 4.35Å; I303-I307 HydrophobicContact CG1-CD1 4.14Å; I303-I307 HydrophobicContact CG1-CG1 4.2Å; I303-I307 WeakPolarHBondContact O-CG1 3.3Å; I303-I307 PolarHBondContact O-N 3.38Å
304	E	97.8	Very high	97.1	Very high	78 Å²	78	51.2 Å²	51.2	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-51.6	-53.3	-173.5	179.5	170.1	177.6	0	0	112.6	Y216 L300 S301 A306 I307 S308	Y216-E304 HydrophobicContact CD1-CB 3.83Å; Y216-E304 HydrophobicContact CD1-CG 3.36Å; Y216-E304 HydrophobicContact CD2-CG 4.17Å; Y216-E304 HydrophobicContact CE1-CB 3.35Å; Y216-E304 HydrophobicContact CE1-CG 3.45Å; Y216-E304 VanDerWaalsContact CE1-CG 3.45Å; Y216-E304 HydrophobicContact CE2-CB 4.46Å; Y216-E304 HydrophobicContact CE2-CG 4.24Å; Y216-E304 HydrophobicContact CG-CG 3.74Å; Y216-E304 VanDerWaalsContact CZ-CA 3.46Å; Y216-E304 WeakPolarHBondContact OH-CA 3.31Å; L300-E304 PolarHBondContact O-N 2.92Å; S301-E304 PolarHBondContact O-N 3.49Å; E304-A306 PolarHBondContact O-N 2.83Å; E304-A306 VanDerWaalsContact O-N 3.09Å; E304-I307 PolarHBondContact O-N 3.09Å; E304-I307 VanDerWaalsContact O-N 3.13Å; E304-S308 WeakPolarHBondContact O-CB 3.49Å; E304-S308 PolarHBondContact O-N 2.99Å
305	A	96.7	Very high	97.1	Very high	108 Å²	108	48.8 Å²	48.8	89%	0.893	28%	0.281	S	S	*	.	H	α-helix	trans	-59.5	-26.5	-179	0	0	0	0	0	113	I303	I303-A305 PolarHBondContact O-N 2.81Å
306	A	96.6	Very high	97.1	Very high	67 Å²	67	48.8 Å²	48.8	55%	0.554	28%	0.281	S	S	*	.	H	α-helix	trans	-86.4	-22.4	-178.6	0	0	0	0	0	113.8	I303 E304	I303-A306 WeakPolarHBondContact O-CA 3.45Å; I303-A306 WeakPolarHBondContact O-CB 3.41Å; I303-A306 PolarHBondContact O-N 3.2Å; E304-A306 PolarHBondContact O-N 2.83Å; E304-A306 VanDerWaalsContact O-N 3.09Å
307	I	97.8	Very high	97.1	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-125.8	-13.8	-171.9	67.9	151.6	0	0	0	114.8	Y70 R71 A73 Y216 I303 E304	Y70-I307 HydrophobicContact CD1-CB 4.37Å; Y70-I307 HydrophobicContact CD1-CD1 3.92Å; Y70-I307 HydrophobicContact CD1-CG1 4.33Å; Y70-I307 VanDerWaalsContact CD1-O 3.23Å; Y70-I307 WeakPolarHBondContact CD1-O 3.16Å; Y70-I307 HydrophobicContact CD2-CD1 4.3Å; Y70-I307 HydrophobicContact CG-CD1 3.71Å; R71-I307 WeakPolarHBondContact O-CG2 3.21Å; A73-I307 HydrophobicContact CB-CD1 4.36Å; Y216-I307 HydrophobicContact CE2-CD1 3.8Å; Y216-I307 HydrophobicContact CE2-CG1 3.77Å; Y216-I307 VanDerWaalsContact OH-CD1 3.32Å; Y216-I307 WeakPolarHBondContact OH-CD1 3.49Å; Y216-I307 WeakPolarHBondContact OH-CG1 2.93Å; I303-I307 HydrophobicContact CD1-CD1 3.42Å; I303-I307 VanDerWaalsContact CD1-CD1 3.42Å; I303-I307 HydrophobicContact CD1-CG1 3.89Å; I303-I307 HydrophobicContact CD1-CG2 4.35Å; I303-I307 HydrophobicContact CG1-CD1 4.14Å; I303-I307 HydrophobicContact CG1-CG1 4.2Å; I303-I307 WeakPolarHBondContact O-CG1 3.3Å; I303-I307 PolarHBondContact O-N 3.38Å; E304-I307 PolarHBondContact O-N 3.09Å; E304-I307 VanDerWaalsContact O-N 3.13Å
308	S	97.3	Very high	97.1	Very high	37 Å²	37	45.1 Å²	45.1	26%	0.259	27%	0.265	S	S	.	.			trans	-56.7	139	-177	-178.4	0	0	0	0	112.5	E304	E304-S308 WeakPolarHBondContact O-CB 3.49Å; E304-S308 PolarHBondContact O-N 2.99Å
309	T	97.5	Very high	97.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	26%	0.258	C	S	.	.			trans	-102.9	7.3	-179.3	60.6	0	0	0	0	113.9	Y70 H311 L312 Y314 Q315 S316	Y70-T309 HydrophobicContact CD1-CG2 4.17Å; Y70-T309 HydrophobicContact CE1-CG2 3.99Å; T309-H311 PolarHBondContact O-N 2.91Å; T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 PolarHBondContact O-N 2.77Å; T309-Y314 HydrophobicContact CG2-CE2 4.29Å; T309-Q315 PolarHBondContact O-NE2 2.86Å; T309-Q315 PolarHBondContact O-OE1 3.34Å; T309-Q315 PolarHBondContact OG1-OE1 2.8Å; T309-S316 WeakPolarHBondContact CG2-OG 3.11Å; T309-S316 PolarHBondContact OG1-N 3.15Å; T309-S316 VanDerWaalsContact OG1-N 3.11Å
310	K	92.3	Very high	97.2	Very high	139 Å²	139	44.2 Å²	44.2	60%	0.604	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-32.8	-173.8	-174.1	177.9	-179.4	178	0	114.2
311	H	92.8	Very high	97.2	Very high	169 Å²	169	44.2 Å²	44.2	78%	0.782	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	15.1	-178	-58.2	-59	0	0	0	113.7	T309	T309-H311 PolarHBondContact O-N 2.91Å
312	L	95.9	Very high	97.2	Very high	84 Å²	84	41.1 Å²	41.1	44%	0.44	24%	0.237	S	C	.	.	S	Bend	trans	-91.9	160.9	177.3	-61.7	-172.5	0	0	0	111.9	T309 Y314	T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 PolarHBondContact O-N 2.77Å; L312-Y314 HydrophobicContact CB-CD1 4.45Å; L312-Y314 HydrophobicContact CB-CE1 4.43Å; L312-Y314 WeakPolarHBondContact CB-O 3.25Å; L312-Y314 HydrophobicContact CD1-CE1 3.96Å; L312-Y314 PolarHBondContact O-N 2.8Å
313	S	95.8	Very high	97.3	Very high	76 Å²	76	40 Å²	40	53%	0.531	23%	0.229	S	C	.	.	S	Bend	trans	-69.9	-10.6	175.9	55.9	0	0	0	0	113.9	G58	G58-S313 WeakPolarHBondContact CA-O 3.21Å; G58-S313 WeakPolarHBondContact O-CB 3.38Å
314	Y	98	Very high	97.4	Very high	20 Å²	20	39.8 Å²	39.8	8%	0.078	23%	0.228	C	C	.	.	S	Bend	trans	-133	162.1	172.5	69.7	-84.7	0	0	0	109.3	F54 L57 Q65 V67 T309 L312	F54-Y314 AromaticContact CD1-CE2 3.97Å; F54-Y314 HydrophobicContact CD1-CE2 3.97Å; L57-Y314 HydrophobicContact CB-CD1 3.78Å; L57-Y314 HydrophobicContact CB-CD2 4.14Å; L57-Y314 HydrophobicContact CB-CE1 4.43Å; L57-Y314 HydrophobicContact CB-CG 3.62Å; L57-Y314 HydrophobicContact CD1-CD2 3.88Å; L57-Y314 HydrophobicContact CD1-CE2 4.11Å; L57-Y314 HydrophobicContact CD1-CG 4.25Å; Q65-Y314 WeakPolarHBondContact O-CA 3.44Å; V67-Y314 HydrophobicContact CG1-CD2 4.02Å; V67-Y314 HydrophobicContact CG1-CE2 4.11Å; T309-Y314 HydrophobicContact CG2-CE2 4.29Å; L312-Y314 HydrophobicContact CB-CD1 4.45Å; L312-Y314 HydrophobicContact CB-CE1 4.43Å; L312-Y314 WeakPolarHBondContact CB-O 3.25Å; L312-Y314 HydrophobicContact CD1-CE1 3.96Å; L312-Y314 PolarHBondContact O-N 2.8Å
315	Q	98.5	Very high	97.4	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.154	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.2	178.6	-66	-52.9	-39.6	0	0	111.2	Q65 L66 V67 H214 T309	Q65-Q315 PolarHBondContact O-N 3.24Å; L66-Q315 WeakPolarHBondContact CA-O 3.22Å; L66-Q315 HydrophobicContact CD1-CB 3.65Å; V67-Q315 PolarHBondContact N-O 2.9Å; H214-Q315 HydrophobicContact CB-CB 3.89Å; H214-Q315 HydrophobicContact CB-CG 4.37Å; H214-Q315 PolarHBondContact O-OE1 3.09Å; T309-Q315 PolarHBondContact O-NE2 2.86Å; T309-Q315 PolarHBondContact O-OE1 3.34Å; T309-Q315 PolarHBondContact OG1-OE1 2.8Å
316	S	98.8	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.9	175.6	-62.6	0	0	0	0	111.4	V67 Y69 Y70 H214 T309	V67-S316 WeakPolarHBondContact CG1-OG 3.37Å; V67-S316 CarbonylContact O-C 3.58Å; V67-S316 VanDerWaalsContact O-CA 3.29Å; V67-S316 WeakPolarHBondContact O-CA 3.45Å; Y69-S316 WeakPolarHBondContact O-CB 3.47Å; Y69-S316 PolarHBondContact O-OG 3.46Å; Y70-S316 PolarHBondContact OH-O 2.82Å; H214-S316 WeakPolarHBondContact CA-O 3.37Å; H214-S316 WeakPolarHBondContact CB-O 3.3Å; H214-S316 PolarHBondContact N-O 2.97Å; T309-S316 WeakPolarHBondContact CG2-OG 3.11Å; T309-S316 PolarHBondContact OG1-N 3.15Å; T309-S316 VanDerWaalsContact OG1-N 3.11Å
317	F	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.			trans	-133.4	161.1	158.1	69.5	-83.8	0	0	0	107.5	Y19 L44 L66 V67 N68 Y69 L211 V212 I355 A359 I360	Y19-F317 HydrophobicContact CE1-CE2 4.05Å; Y19-F317 HydrophobicContact CE1-CZ 4.37Å; L44-F317 HydrophobicContact CD1-CE1 3.77Å; L44-F317 HydrophobicContact CD1-CZ 4.27Å; L66-F317 HydrophobicContact CD1-CD1 3.81Å; L66-F317 HydrophobicContact CD1-CE1 4.48Å; L66-F317 HydrophobicContact CD2-CD1 3.66Å; L66-F317 HydrophobicContact CD2-CE1 3.67Å; L66-F317 HydrophobicContact CG-CD1 3.63Å; L66-F317 HydrophobicContact CG-CE1 3.8Å; V67-F317 WeakPolarHBondContact O-CD1 3.4Å; V67-F317 PolarHBondContact O-N 3.06Å; N68-F317 CarbonylContact C-O 3.54Å; N68-F317 WeakPolarHBondContact CA-O 3.38Å; N68-F317 HydrophobicContact CB-CD2 4.48Å; N68-F317 HydrophobicContact CB-CE1 3.89Å; N68-F317 HydrophobicContact CB-CE2 3.77Å; N68-F317 HydrophobicContact CB-CZ 3.44Å; N68-F317 VanDerWaalsContact CB-CZ 3.44Å; Y69-F317 PolarHBondContact N-O 3.2Å; L211-F317 HydrophobicContact CD1-CD2 3.97Å; V212-F317 CarbonylContact O-C 3.56Å; V212-F317 WeakPolarHBondContact O-CA 3.5Å; V212-F317 VanDerWaalsContact O-CB 3.27Å; V212-F317 WeakPolarHBondContact O-CB 3.18Å; F317-I355 HydrophobicContact CE2-CG2 3.83Å; F317-A359 HydrophobicContact CB-CB 3.81Å; F317-A359 HydrophobicContact CD1-CB 4.25Å; F317-A359 HydrophobicContact CD2-CB 3.57Å; F317-A359 HydrophobicContact CE2-CB 4.14Å; F317-A359 HydrophobicContact CG-CB 3.62Å; F317-I360 HydrophobicContact CE1-CG1 4.18Å; F317-I360 HydrophobicContact CZ-CD1 4.19Å; F317-I360 HydrophobicContact CZ-CG1 3.98Å
318	Q	98.8	Very high	97.6	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141	174.1	-169.9	171.6	-6.9	0	0	111.8	Y69 Y70 V212 F320 G339	Y69-Q318 HydrophobicContact CD1-CG 4.24Å; Y70-Q318 HydrophobicContact CD2-CB 3.71Å; Y70-Q318 HydrophobicContact CE2-CB 4.42Å; V212-Q318 PolarHBondContact N-O 2.65Å; V212-Q318 PolarHBondContact O-N 3.38Å; Q318-F320 HydrophobicContact CB-CD2 4.46Å; Q318-F320 HydrophobicContact CB-CE2 3.75Å; Q318-F320 HydrophobicContact CB-CZ 3.88Å; Q318-F320 VanDerWaalsContact CD-CZ 3.41Å; Q318-F320 HydrophobicContact CG-CD2 4.43Å; Q318-F320 HydrophobicContact CG-CE1 4.1Å; Q318-F320 HydrophobicContact CG-CE2 3.96Å; Q318-F320 HydrophobicContact CG-CZ 3.78Å; Q318-G339 PolarHBondContact NE2-O 2.93Å
319	L	98.8	Very high	97.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.2	167.8	-173.2	75.4	0	0	0	110	I18 W209 L211 P341 L351 I355	I18-L319 HydrophobicContact CD1-CD2 3.41Å; I18-L319 VanDerWaalsContact CD1-CD2 3.41Å; I18-L319 HydrophobicContact CG2-CD2 4.2Å; W209-L319 HydrophobicContact CB-CD1 4.27Å; L211-L319 HydrophobicContact CB-CD1 4.24Å; L319-P341 HydrophobicContact CD2-CG 3.88Å; L319-P341 HydrophobicContact CG-CG 3.98Å; L319-P341 VanDerWaalsContact O-CD 3.31Å; L319-P341 WeakPolarHBondContact O-CD 3.5Å; L319-L351 HydrophobicContact CD1-CD1 4.32Å; L319-L351 HydrophobicContact CD2-CD2 4.23Å; L319-I355 HydrophobicContact CD1-CD1 4.34Å; L319-I355 HydrophobicContact CD2-CD1 4Å
320	F	98.8	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.8	174.3	-60.3	-85	0	0	0	110.6	A73 W209 V210 V212 L300 Q318 F322 I337 N338	A73-F320 HydrophobicContact CB-CE1 3.94Å; A73-F320 HydrophobicContact CB-CZ 3.95Å; W209-F320 WeakPolarHBondContact CA-O 3.36Å; V210-F320 HydrophobicContact CB-CB 4.49Å; V210-F320 PolarHBondContact N-O 3.22Å; V210-F320 PolarHBondContact O-N 3.1Å; V212-F320 HydrophobicContact CB-CE2 4.26Å; V212-F320 HydrophobicContact CG2-CD2 4.04Å; V212-F320 HydrophobicContact CG2-CE2 3.81Å; L300-F320 HydrophobicContact CD2-CD2 4.32Å; L300-F320 HydrophobicContact CD2-CE2 4.11Å; L300-F320 HydrophobicContact CD2-CZ 4.48Å; Q318-F320 HydrophobicContact CB-CD2 4.46Å; Q318-F320 HydrophobicContact CB-CE2 3.75Å; Q318-F320 HydrophobicContact CB-CZ 3.88Å; Q318-F320 VanDerWaalsContact CD-CZ 3.41Å; Q318-F320 HydrophobicContact CG-CD2 4.43Å; Q318-F320 HydrophobicContact CG-CE1 4.1Å; Q318-F320 HydrophobicContact CG-CE2 3.96Å; Q318-F320 HydrophobicContact CG-CZ 3.78Å; F320-F322 HydrophobicContact CB-CD2 4.04Å; F320-F322 HydrophobicContact CB-CE2 3.73Å; F320-F322 HydrophobicContact CG-CE2 4.38Å; F320-I337 HydrophobicContact CB-CG2 4.27Å; F320-I337 HydrophobicContact CD1-CG2 4.06Å; F320-N338 CarbonylContact C-O 3.58Å; F320-N338 WeakPolarHBondContact CA-O 3.4Å
321	G	98.5	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.1	167.3	0	0	0	0	0	109.8	S208 N338	S208-G321 CarbonylContact O-C 2.81Å; S208-G321 WeakPolarHBondContact O-CA 3.39Å; G321-N338 PolarHBondContact N-O 3.23Å; G321-N338 WeakPolarHBondContact O-CB 3.39Å; G321-N338 PolarHBondContact O-N 3.19Å; G321-N338 PolarHBondContact O-ND2 3.36Å
322	F	98.8	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.5	175.4	-77.5	-112.5	0	0	0	109.8	R207 S208 V210 I296 C299 L300 F320 F324 L334 I337	R207-F322 WeakPolarHBondContact CA-O 3.21Å; S208-F322 PolarHBondContact N-O 3.45Å; S208-F322 PolarHBondContact O-N 2.67Å; V210-F322 HydrophobicContact CB-CD2 4.12Å; V210-F322 HydrophobicContact CB-CE2 4.08Å; V210-F322 HydrophobicContact CG2-CD2 3.63Å; V210-F322 HydrophobicContact CG2-CE2 3.96Å; V210-F322 HydrophobicContact CG2-CG 4.44Å; I296-F322 HydrophobicContact CB-CE1 4.46Å; I296-F322 HydrophobicContact CG1-CD1 3.83Å; I296-F322 HydrophobicContact CG1-CD2 4.34Å; I296-F322 HydrophobicContact CG1-CE1 4.05Å; I296-F322 HydrophobicContact CG1-CG 3.99Å; I296-F322 HydrophobicContact CG1-CZ 4.41Å; I296-F322 HydrophobicContact CG2-CZ 4.39Å; C299-F322 HydrophobicContact CB-CE1 4.13Å; C299-F322 HydrophobicContact CB-CZ 4.47Å; L300-F322 HydrophobicContact CD1-CE2 4.42Å; L300-F322 HydrophobicContact CD1-CZ 4.27Å; L300-F322 HydrophobicContact CD2-CZ 4.45Å; L300-F322 HydrophobicContact CG-CZ 4.11Å; F320-F322 HydrophobicContact CB-CD2 4.04Å; F320-F322 HydrophobicContact CB-CE2 3.73Å; F320-F322 HydrophobicContact CG-CE2 4.38Å; F322-F324 HydrophobicContact CB-CD2 4.3Å; F322-F324 HydrophobicContact CB-CE2 3.4Å; F322-F324 HydrophobicContact CB-CZ 3.67Å; F322-F324 AromaticContact CD1-CZ 3.93Å; F322-F324 HydrophobicContact CD1-CZ 3.93Å; F322-F324 HydrophobicContact CG-CE2 4.38Å; F322-F324 HydrophobicContact CG-CZ 4.21Å; F322-L334 HydrophobicContact CD1-CD1 3.92Å; F322-I337 HydrophobicContact CD1-CD1 4Å; F322-I337 HydrophobicContact CD1-CG1 3.72Å; F322-I337 HydrophobicContact CD2-CG2 4.15Å; F322-I337 HydrophobicContact CE1-CD1 3.37Å; F322-I337 HydrophobicContact CE1-CG1 3.62Å; F322-I337 HydrophobicContact CE1-CG2 4.39Å; F322-I337 HydrophobicContact CE2-CG2 3.89Å; F322-I337 HydrophobicContact CG-CG1 4.26Å; F322-I337 HydrophobicContact CG-CG2 4.5Å; F322-I337 HydrophobicContact CZ-CD1 3.74Å; F322-I337 HydrophobicContact CZ-CG1 4.08Å; F322-I337 HydrophobicContact CZ-CG2 4.01Å
323	D	98.5	Very high	98.5	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.4	-177.3	-65	8.6	0	0	0	109.1	I206 R207 R227 I335 E336 N338	I206-D323 WeakPolarHBondContact O-CA 3.1Å; R207-D323 IonicContact CZ-OD1 3.35Å; R207-D323 IonicContact CZ-OD2 3Å; R207-D323 IonicContact NE-OD1 3.55Å; R207-D323 PolarHBondContact NE-OD1 3.42Å; R207-D323 VanDerWaalsContact NH2-CG 3.33Å; R207-D323 IonicContact NH2-OD1 3.32Å; R207-D323 PolarHBondContact NH2-OD1 2.85Å; R207-D323 IonicContact NH2-OD2 2.75Å; R207-D323 PolarHBondContact NH2-OD2 3.33Å; R227-D323 IonicContact CZ-OD2 2.73Å; R227-D323 IonicContact NH1-OD2 2.58Å; R227-D323 IonicContact NH2-OD1 2.83Å; R227-D323 PolarHBondContact NH2-OD1 3.37Å; R227-D323 IonicContact NH2-OD2 3.2Å; R227-D323 PolarHBondContact NH2-OD2 3.3Å; D323-I335 PolarHBondContact O-N 3Å; D323-E336 HydrophobicContact CB-CG 3.82Å; D323-E336 PolarHBondContact N-O 2.89Å; D323-N338 VanDerWaalsContact CG-ND2 3.29Å; D323-N338 PolarHBondContact OD1-ND2 3.28Å; D323-N338 PolarHBondContact OD2-ND2 3.34Å
324	F	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.9	-177.1	-57.4	-84.3	0	0	0	111.7	D205 I206 I292 V295 I296 F322 V332 W333 L334	D205-F324 CarbonylContact C-O 3.59Å; D205-F324 VanDerWaalsContact CA-O 3.31Å; D205-F324 WeakPolarHBondContact CA-O 3.05Å; D205-F324 WeakPolarHBondContact CB-O 3.42Å; I206-F324 HydrophobicContact CB-CB 4.38Å; I206-F324 PolarHBondContact N-O 3.24Å; I206-F324 PolarHBondContact O-N 3.26Å; I292-F324 HydrophobicContact CB-CE2 4.39Å; I292-F324 HydrophobicContact CB-CZ 4.44Å; I292-F324 HydrophobicContact CD1-CD2 4.2Å; I292-F324 HydrophobicContact CG1-CD1 4.45Å; I292-F324 HydrophobicContact CG1-CD2 4.05Å; I292-F324 HydrophobicContact CG1-CE2 4.15Å; I292-F324 HydrophobicContact CG1-CG 4.2Å; I292-F324 HydrophobicContact CG1-CZ 4.41Å; I292-F324 HydrophobicContact CG2-CD2 4.36Å; I292-F324 HydrophobicContact CG2-CE2 3.7Å; I292-F324 HydrophobicContact CG2-CZ 3.96Å; V295-F324 HydrophobicContact CB-CE1 4.02Å; V295-F324 HydrophobicContact CG1-CE1 3.86Å; I296-F324 HydrophobicContact CD1-CZ 4.38Å; I296-F324 HydrophobicContact CG1-CZ 4.02Å; F322-F324 HydrophobicContact CB-CD2 4.3Å; F322-F324 HydrophobicContact CB-CE2 3.4Å; F322-F324 HydrophobicContact CB-CZ 3.67Å; F322-F324 AromaticContact CD1-CZ 3.93Å; F322-F324 HydrophobicContact CD1-CZ 3.93Å; F322-F324 HydrophobicContact CG-CE2 4.38Å; F322-F324 HydrophobicContact CG-CZ 4.21Å; F324-V332 HydrophobicContact CB-CG1 3.96Å; F324-V332 HydrophobicContact CD1-CG1 3.56Å; F324-V332 HydrophobicContact CE1-CG1 4.33Å; F324-V332 HydrophobicContact CG-CG1 3.97Å; F324-W333 CarbonylContact C-O 3.6Å; F324-W333 VanDerWaalsContact CA-O 3.25Å; F324-W333 WeakPolarHBondContact CA-O 3.4Å; F324-L334 HydrophobicContact CD1-CB 4.29Å; F324-L334 HydrophobicContact CD1-CD1 4.19Å; F324-L334 HydrophobicContact CE1-CB 4.24Å; F324-L334 HydrophobicContact CE1-CD1 3.79Å; F324-L334 HydrophobicContact CZ-CD1 4.26Å
325	M	98.6	Very high	98.6	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.054	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.2	160.5	-74.8	-74.2	-51.3	0	0	109.4	L191 P194 K203 F204 D205 V332 W333 I335	L191-M325 HydrophobicContact CD2-CB 3.73Å; L191-M325 HydrophobicContact CD2-CE 3.98Å; L191-M325 HydrophobicContact CD2-CG 4.45Å; P194-M325 HydrophobicContact CB-CE 3.6Å; K203-M325 HydrophobicContact CD-CE 4.21Å; K203-M325 HydrophobicContact CG-CE 3.88Å; F204-M325 WeakPolarHBondContact O-CE 3.38Å; D205-M325 HydrophobicContact CB-SD 4.03Å; M325-V332 WeakPolarHBondContact O-CA 3.29Å; M325-W333 HydrophobicContact CB-CB 4.45Å; M325-W333 PolarHBondContact N-O 2.84Å; M325-W333 PolarHBondContact O-N 3.16Å; M325-I335 HydrophobicContact CB-CD1 3.95Å; M325-I335 HydrophobicContact CB-CG1 4.11Å; M325-I335 HydrophobicContact CG-CD1 3.61Å; M325-I335 HydrophobicContact CG-CG1 3.58Å
326	V	98.8	Very high	98.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.2	170.4	-174	0	0	0	0	107.5	L195 F204 I206 I288 K331 V332	L195-V326 HydrophobicContact CB-CB 4.27Å; L195-V326 HydrophobicContact CB-CG1 4.19Å; L195-V326 HydrophobicContact CD2-CB 4.48Å; L195-V326 HydrophobicContact CD2-CG1 4Å; L195-V326 PolarHBondContact N-O 3.19Å; F204-V326 HydrophobicContact CE2-CG2 4.38Å; F204-V326 HydrophobicContact CZ-CB 4.33Å; I206-V326 HydrophobicContact CD1-CG2 3.67Å; I288-V326 HydrophobicContact CD1-CG1 4.19Å; I288-V326 HydrophobicContact CD1-CG2 4.38Å; I288-V326 HydrophobicContact CG1-CG1 4.44Å; I288-V326 HydrophobicContact CG2-CG2 4.4Å; V326-K331 WeakPolarHBondContact CA-O 3.38Å; V326-V332 HydrophobicContact CG2-CG2 4.41Å
327	D	98.6	Very high	98.4	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.08	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-90.9	172.9	175.2	71.9	22.7	0	0	0	112.8	L191 K193 N329 F330 K331 W333	L191-D327 HydrophobicContact CD1-CB 4.05Å; L191-D327 HydrophobicContact CD2-CB 4.08Å; L191-D327 HydrophobicContact CG-CB 4.4Å; K193-D327 WeakPolarHBondContact O-CA 3.46Å; K193-D327 WeakPolarHBondContact O-CB 3.45Å; D327-N329 PolarHBondContact O-N 2.93Å; D327-N329 WeakPolarHBondContact OD1-CA 3.34Å; D327-N329 WeakPolarHBondContact OD1-CB 3.48Å; D327-N329 PolarHBondContact OD1-N 3.35Å; D327-F330 PolarHBondContact O-N 3.14Å; D327-F330 PolarHBondContact OD1-N 2.99Å; D327-K331 PolarHBondContact N-O 3.09Å; D327-K331 WeakPolarHBondContact OD1-CB 3.34Å; D327-K331 PolarHBondContact OD1-N 2.82Å; D327-K331 WeakPolarHBondContact OD2-CB 3.1Å; D327-W333 PolarHBondContact OD2-NE1 2.79Å
328	E	97.9	Very high	98.4	Very high	91 Å²	91	23.8 Å²	23.8	43%	0.425	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.6	-179.6	69	-178.4	-179.9	0	0	114.4	K193	K193-E328 HydrophobicContact CB-CG 4.15Å; K193-E328 VanDerWaalsContact CD-CD 3.46Å; K193-E328 WeakPolarHBondContact CD-OE1 3.25Å; K193-E328 IonicContact NZ-OE1 2.78Å; K193-E328 PolarHBondContact NZ-OE1 3.12Å; K193-E328 PolarHBondContact O-N 3Å
329	N	98.2	Very high	98.3	Very high	118 Å²	118	24.2 Å²	24.2	63%	0.631	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	14.1	178.4	-58.3	-62.6	0	0	0	112.6	D327 K331	D327-N329 PolarHBondContact O-N 2.93Å; D327-N329 WeakPolarHBondContact OD1-CA 3.34Å; D327-N329 WeakPolarHBondContact OD1-CB 3.48Å; D327-N329 PolarHBondContact OD1-N 3.35Å; N329-K331 PolarHBondContact O-N 3.3Å
330	F	98.5	Very high	98.1	Very high	33 Å²	33	26.1 Å²	26.1	15%	0.145	14%	0.137	C	C	.	.			trans	60.8	22.6	-176.9	-50.7	-83.1	0	0	0	114.2	L195 L276 H280 V282 T287 I288 Q291 D327	L195-F330 HydrophobicContact CD1-CE1 4.01Å; L195-F330 HydrophobicContact CD1-CZ 4.37Å; L195-F330 HydrophobicContact CD2-CD1 3.85Å; L195-F330 HydrophobicContact CD2-CE1 3.69Å; L276-F330 HydrophobicContact CD2-CD1 4.18Å; L276-F330 HydrophobicContact CD2-CE1 3.79Å; H280-F330 HydrophobicContact CB-CE1 4.15Å; H280-F330 HydrophobicContact CB-CZ 3.58Å; H280-F330 AromaticContact CG-CZ 3.56Å; H280-F330 AromaticContact ND1-CZ 3.82Å; V282-F330 HydrophobicContact CB-CE1 4.45Å; V282-F330 HydrophobicContact CG1-CD1 4.17Å; V282-F330 HydrophobicContact CG1-CE1 4.36Å; V282-F330 HydrophobicContact CG1-CG 4.42Å; V282-F330 HydrophobicContact CG2-CD2 4.21Å; V282-F330 HydrophobicContact CG2-CE1 4.38Å; V282-F330 HydrophobicContact CG2-CE2 3.93Å; V282-F330 HydrophobicContact CG2-CZ 4.03Å; T287-F330 HydrophobicContact CG2-CB 3.57Å; T287-F330 HydrophobicContact CG2-CG 4.24Å; I288-F330 HydrophobicContact CD1-CD1 4.42Å; Q291-F330 PolarHBondContact NE2-O 2.85Å; D327-F330 PolarHBondContact O-N 3.14Å; D327-F330 PolarHBondContact OD1-N 2.99Å
331	K	98.7	Very high	97.9	Very high	60 Å²	60	26.8 Å²	26.8	26%	0.261	14%	0.142	S	C	.	.			trans	-83.2	135.1	172.4	175.2	-176.7	-178.7	-176.6	0	109.8	N97 V326 D327 N329 W333	N97-K331 WeakPolarHBondContact O-CE 3.33Å; N97-K331 PolarHBondContact O-NZ 2.85Å; V326-K331 WeakPolarHBondContact CA-O 3.38Å; D327-K331 PolarHBondContact N-O 3.09Å; D327-K331 WeakPolarHBondContact OD1-CB 3.34Å; D327-K331 PolarHBondContact OD1-N 2.82Å; D327-K331 WeakPolarHBondContact OD2-CB 3.1Å; N329-K331 PolarHBondContact O-N 3.3Å; K331-W333 HydrophobicContact CD-CH2 4.32Å; K331-W333 HydrophobicContact CD-CZ2 3.56Å; K331-W333 HydrophobicContact CG-CZ2 4.34Å
332	V	98.9	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.5	-175.3	177.1	0	0	0	0	110.5	I288 Q291 I292 F324 M325 V326	I288-V332 HydrophobicContact CB-CG2 4.37Å; I288-V332 HydrophobicContact CG2-CG2 3.86Å; Q291-V332 HydrophobicContact CB-CB 3.78Å; Q291-V332 HydrophobicContact CB-CG2 3.77Å; Q291-V332 HydrophobicContact CG-CG2 4.42Å; I292-V332 HydrophobicContact CG1-CG1 3.82Å; I292-V332 HydrophobicContact CG1-CG2 4.39Å; F324-V332 HydrophobicContact CB-CG1 3.96Å; F324-V332 HydrophobicContact CD1-CG1 3.56Å; F324-V332 HydrophobicContact CE1-CG1 4.33Å; F324-V332 HydrophobicContact CG-CG1 3.97Å; M325-V332 WeakPolarHBondContact O-CA 3.29Å; V326-V332 HydrophobicContact CG2-CG2 4.41Å
333	W	98.9	Very high	97.1	Very high	36 Å²	36	30 Å²	30	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.6	-179.3	-61.9	94.1	0	0	0	110.6	W98 P100 L191 F324 M325 D327 K331 I335	W98-W333 CarbonylContact O-C 3.47Å; W98-W333 WeakPolarHBondContact O-CA 3.23Å; P100-W333 HydrophobicContact CG-CB 4.23Å; P100-W333 HydrophobicContact CG-CE3 4.06Å; L191-W333 HydrophobicContact CD1-CG 4.38Å; F324-W333 CarbonylContact C-O 3.6Å; F324-W333 VanDerWaalsContact CA-O 3.25Å; F324-W333 WeakPolarHBondContact CA-O 3.4Å; M325-W333 HydrophobicContact CB-CB 4.45Å; M325-W333 PolarHBondContact N-O 2.84Å; M325-W333 PolarHBondContact O-N 3.16Å; D327-W333 PolarHBondContact OD2-NE1 2.79Å; K331-W333 HydrophobicContact CD-CH2 4.32Å; K331-W333 HydrophobicContact CD-CZ2 3.56Å; K331-W333 HydrophobicContact CG-CZ2 4.34Å; W333-I335 PolarHBondContact O-N 2.93Å
334	L	98.8	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.2	171.1	179.4	67.3	0	0	0	110.5	W98 F99 P100 V295 F322 F324 I337	W98-L334 HydrophobicContact CE3-CB 4.38Å; W98-L334 HydrophobicContact CZ3-CD2 4.13Å; W98-L334 PolarHBondContact O-N 3.16Å; F99-L334 HydrophobicContact CD2-CB 4.24Å; F99-L334 HydrophobicContact CD2-CD2 4.3Å; F99-L334 HydrophobicContact CD2-CG 4.37Å; F99-L334 WeakPolarHBondContact CD2-O 3.22Å; P100-L334 WeakPolarHBondContact CD-O 3.38Å; V295-L334 HydrophobicContact CG1-CB 3.99Å; V295-L334 HydrophobicContact CG1-CD1 4.4Å; V295-L334 HydrophobicContact CG1-CD2 3.95Å; V295-L334 HydrophobicContact CG1-CG 4.34Å; F322-L334 HydrophobicContact CD1-CD1 3.92Å; F324-L334 HydrophobicContact CD1-CB 4.29Å; F324-L334 HydrophobicContact CD1-CD1 4.19Å; F324-L334 HydrophobicContact CE1-CB 4.24Å; F324-L334 HydrophobicContact CE1-CD1 3.79Å; F324-L334 HydrophobicContact CZ-CD1 4.26Å; L334-I337 HydrophobicContact CD1-CG1 4.09Å; L334-I337 HydrophobicContact CD2-CD1 4.32Å; L334-I337 HydrophobicContact CD2-CG1 4.43Å
335	I	97.3	Very high	96.3	Very high	40 Å²	40	38 Å²	38	21%	0.205	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-45.4	179.8	-56.1	-52.1	0	0	0	111.5	P100 K155 D323 M325 W333	P100-I335 HydrophobicContact CG-CD1 4.3Å; K155-I335 PolarHBondContact NZ-O 3.35Å; D323-I335 PolarHBondContact O-N 3Å; M325-I335 HydrophobicContact CB-CD1 3.95Å; M325-I335 HydrophobicContact CB-CG1 4.11Å; M325-I335 HydrophobicContact CG-CD1 3.61Å; M325-I335 HydrophobicContact CG-CG1 3.58Å; W333-I335 PolarHBondContact O-N 2.93Å
336	E	96.3	Very high	96	Very high	35 Å²	35	45 Å²	45	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	168.1	176.3	62.8	-178.4	179.5	0	0	112.7	K79 D323	K79-E336 IonicContact NZ-OE2 2.7Å; K79-E336 PolarHBondContact NZ-OE2 2.8Å; D323-E336 HydrophobicContact CB-CG 3.82Å; D323-E336 PolarHBondContact N-O 2.89Å
337	I	98.2	Very high	95.9	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.7	173.2	-55.4	171.1	0	0	0	107.6	L76 C77 L82 C299 F320 F322 L334	L76-I337 HydrophobicContact CB-CD1 4.08Å; L76-I337 HydrophobicContact CD1-CD1 4.44Å; L76-I337 HydrophobicContact CD2-CD1 3.92Å; L76-I337 HydrophobicContact CG-CD1 4.39Å; C77-I337 VanDerWaalsContact CA-O 3.23Å; C77-I337 WeakPolarHBondContact CA-O 3.37Å; L82-I337 HydrophobicContact CD1-CD1 4.1Å; C299-I337 HydrophobicContact CB-CD1 4.16Å; F320-I337 HydrophobicContact CB-CG2 4.27Å; F320-I337 HydrophobicContact CD1-CG2 4.06Å; F322-I337 HydrophobicContact CD1-CD1 4Å; F322-I337 HydrophobicContact CD1-CG1 3.72Å; F322-I337 HydrophobicContact CD2-CG2 4.15Å; F322-I337 HydrophobicContact CE1-CD1 3.37Å; F322-I337 HydrophobicContact CE1-CG1 3.62Å; F322-I337 HydrophobicContact CE1-CG2 4.39Å; F322-I337 HydrophobicContact CE2-CG2 3.89Å; F322-I337 HydrophobicContact CG-CG1 4.26Å; F322-I337 HydrophobicContact CG-CG2 4.5Å; F322-I337 HydrophobicContact CZ-CD1 3.74Å; F322-I337 HydrophobicContact CZ-CG1 4.08Å; F322-I337 HydrophobicContact CZ-CG2 4.01Å; L334-I337 HydrophobicContact CD1-CG1 4.09Å; L334-I337 HydrophobicContact CD2-CD1 4.32Å; L334-I337 HydrophobicContact CD2-CG1 4.43Å
338	N	96.9	Very high	95.6	Very high	44 Å²	44	46.6 Å²	46.6	24%	0.235	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.9	180	-69.8	-75.3	0	0	0	109.7	R207 F320 G321 D323 A340 P341	R207-N338 PolarHBondContact NH2-ND2 3.22Å; F320-N338 CarbonylContact C-O 3.58Å; F320-N338 WeakPolarHBondContact CA-O 3.4Å; G321-N338 PolarHBondContact N-O 3.23Å; G321-N338 WeakPolarHBondContact O-CB 3.39Å; G321-N338 PolarHBondContact O-N 3.19Å; G321-N338 PolarHBondContact O-ND2 3.36Å; D323-N338 VanDerWaalsContact CG-ND2 3.29Å; D323-N338 PolarHBondContact OD1-ND2 3.28Å; D323-N338 PolarHBondContact OD2-ND2 3.34Å; N338-A340 VanDerWaalsContact C-N 3.29Å; N338-A340 PolarHBondContact O-N 3.16Å; N338-P341 HydrophobicContact CB-CB 4.38Å
339	G	96.6	Very high	95.4	Very high	14 Å²	14	46.2 Å²	46.2	14%	0.144	25%	0.246	C	C	.	.	S	Bend	trans	-78.5	-9.9	-179.9	0	0	0	0	0	115	Y69 C77 Q318	Y69-G339 VanDerWaalsContact CE1-O 3.3Å; Y69-G339 WeakPolarHBondContact CE1-O 3.25Å; C77-G339 WeakPolarHBondContact SG-CA 3.48Å; C77-G339 PolarHBondContact SG-N 3.46Å; Q318-G339 PolarHBondContact NE2-O 2.93Å
340	A	95.1	Very high	95.4	Very high	43 Å²	43	43.8 Å²	43.8	36%	0.355	23%	0.231	S	C	.	.	S	Bend	trans	-142.1	66.9	177.2	0	0	0	0	0	109.2	R49 Y69 N338	R49-A340 HydrophobicContact CG-CB 4.36Å; Y69-A340 WeakPolarHBondContact OH-CB 3.32Å; N338-A340 VanDerWaalsContact C-N 3.29Å; N338-A340 PolarHBondContact O-N 3.16Å
341	P	94.8	Very high	95.3	Very high	15 Å²	15	42.2 Å²	42.2	10%	0.097	22%	0.224	C	C	.	.			trans	-70	153.3	-173.8	33	-37.8	0	0	0	111.6	I18 L319 N338	I18-P341 VanDerWaalsContact CD1-O 3.23Å; I18-P341 WeakPolarHBondContact CD1-O 3.4Å; L319-P341 HydrophobicContact CD2-CG 3.88Å; L319-P341 HydrophobicContact CG-CG 3.98Å; L319-P341 VanDerWaalsContact O-CD 3.31Å; L319-P341 WeakPolarHBondContact O-CD 3.5Å; N338-P341 HydrophobicContact CB-CB 4.38Å
342	A	89.1	Confident	95.3	Very high	54 Å²	54	39.4 Å²	39.4	45%	0.446	21%	0.212	S	C	.	.			trans	-85.8	166.4	159	0	0	0	0	0	110	W209	W209-A342 PolarHBondContact NE1-O 3.34Å
343	C	91.3	Very high	95.1	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.095	23%	0.228	C	C	.	.			trans	-115.7	154.1	174.4	-166	0	0	0	0	110	I18 W209 Y348 L351	I18-C343 HydrophobicContact CD1-CB 3.96Å; I18-C343 HydrophobicContact CG1-CB 4.05Å; W209-C343 HydrophobicContact CZ2-CB 4.36Å; C343-Y348 HydrophobicContact CB-CD1 4.17Å; C343-Y348 HydrophobicContact CB-CD2 4.1Å; C343-Y348 HydrophobicContact CB-CE1 3.9Å; C343-Y348 HydrophobicContact CB-CE2 3.88Å; C343-Y348 HydrophobicContact CB-CG 4.26Å; C343-Y348 PolarHBondContact N-OH 3.14Å; C343-Y348 WeakPolarHBondContact O-CE2 3.21Å; C343-Y348 PolarHBondContact O-OH 3.39Å; C343-L351 HydrophobicContact CB-CD2 4.02Å; C343-L351 WeakPolarHBondContact SG-CD2 3.42Å
344	A	90.9	Very high	95	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.222	C	C	.	.			trans	-66.4	141.8	169.3	0	0	0	0	0	109.4	W209 E266 F268 K346 L347 Y348	W209-A344 HydrophobicContact CH2-CB 4.23Å; E266-A344 WeakPolarHBondContact OE2-CB 3.23Å; F268-A344 HydrophobicContact CE1-CB 3.94Å; F268-A344 HydrophobicContact CZ-CB 4.17Å; A344-K346 VanDerWaalsContact C-N 3.25Å; A344-K346 PolarHBondContact O-N 3.28Å; A344-K346 VanDerWaalsContact O-N 3.16Å; A344-L347 HydrophobicContact CB-CD1 4.11Å; A344-L347 HydrophobicContact CB-CG 4.21Å; A344-L347 PolarHBondContact O-N 3.23Å; A344-Y348 VanDerWaalsContact O-CD2 3.28Å; A344-Y348 WeakPolarHBondContact O-CD2 3.43Å; A344-Y348 PolarHBondContact O-N 3.21Å
345	Q	90.8	Very high	95	Very high	169 Å²	169	41.2 Å²	41.2	79%	0.79	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-54.5	-43.1	-171.2	-173.2	167.8	-5.8	0	0	112.5	L347 Y348	Q345-L347 PolarHBondContact O-N 3.21Å; Q345-Y348 PolarHBondContact O-N 2.99Å
346	K	92.7	Very high	95	Very high	157 Å²	157	39.4 Å²	39.4	68%	0.683	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-61.9	-26.5	179.4	-174.7	178.2	177.4	-176.4	0	113.8	F268 A344	F268-K346 HydrophobicContact CE2-CD 4.07Å; F268-K346 HydrophobicContact CZ-CB 4.18Å; F268-K346 HydrophobicContact CZ-CD 4.17Å; A344-K346 VanDerWaalsContact C-N 3.25Å; A344-K346 PolarHBondContact O-N 3.28Å; A344-K346 VanDerWaalsContact O-N 3.16Å
347	L	95.1	Very high	94.9	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.068	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98.2	-9.9	-171.7	-58.7	-178.8	0	0	0	113.4	W209 Y221 E223 F268 A344 Q345 L351	W209-L347 HydrophobicContact CE3-CD1 4.48Å; W209-L347 HydrophobicContact CH2-CD1 3.71Å; W209-L347 HydrophobicContact CZ3-CD1 3.5Å; Y221-L347 HydrophobicContact CE1-CB 4.26Å; Y221-L347 HydrophobicContact CE1-CD1 4.24Å; E223-L347 HydrophobicContact CB-CD1 3.96Å; E223-L347 HydrophobicContact CB-CD2 3.96Å; E223-L347 HydrophobicContact CG-CD2 3.95Å; F268-L347 HydrophobicContact CD1-CD1 4.06Å; F268-L347 HydrophobicContact CD1-CD2 4.41Å; F268-L347 HydrophobicContact CD1-CG 4.38Å; F268-L347 HydrophobicContact CE1-CD1 3.76Å; F268-L347 HydrophobicContact CE1-CD2 4.28Å; F268-L347 HydrophobicContact CE1-CG 3.87Å; A344-L347 HydrophobicContact CB-CD1 4.11Å; A344-L347 HydrophobicContact CB-CG 4.21Å; A344-L347 PolarHBondContact O-N 3.23Å; Q345-L347 PolarHBondContact O-N 3.21Å; L347-L351 WeakPolarHBondContact O-CB 3.18Å; L347-L351 PolarHBondContact O-N 2.93Å
348	Y	93	Very high	94.8	Very high	38 Å²	38	41.5 Å²	41.5	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-53.6	-51.8	-177.3	-88.1	-86.8	0	0	0	114.3	T17 I18 E21 C343 A344 Q345 E350 L351 C352	T17-Y348 VanDerWaalsContact CB-OH 3.25Å; T17-Y348 WeakPolarHBondContact CB-OH 3.4Å; T17-Y348 PolarHBondContact OG1-OH 3.15Å; I18-Y348 HydrophobicContact CB-CE1 4.42Å; I18-Y348 HydrophobicContact CG1-CD1 4.35Å; I18-Y348 HydrophobicContact CG1-CE1 3.68Å; E21-Y348 HydrophobicContact CB-CD1 4.5Å; C343-Y348 HydrophobicContact CB-CD1 4.17Å; C343-Y348 HydrophobicContact CB-CD2 4.1Å; C343-Y348 HydrophobicContact CB-CE1 3.9Å; C343-Y348 HydrophobicContact CB-CE2 3.88Å; C343-Y348 HydrophobicContact CB-CG 4.26Å; C343-Y348 PolarHBondContact N-OH 3.14Å; C343-Y348 WeakPolarHBondContact O-CE2 3.21Å; C343-Y348 PolarHBondContact O-OH 3.39Å; A344-Y348 VanDerWaalsContact O-CD2 3.28Å; A344-Y348 WeakPolarHBondContact O-CD2 3.43Å; A344-Y348 PolarHBondContact O-N 3.21Å; Q345-Y348 PolarHBondContact O-N 2.99Å; Y348-E350 PolarHBondContact O-N 3.23Å; Y348-L351 PolarHBondContact O-N 3.3Å; Y348-C352 VanDerWaalsContact O-CB 3.22Å; Y348-C352 WeakPolarHBondContact O-CB 3.31Å; Y348-C352 PolarHBondContact O-N 3.18Å; Y348-C352 PolarHBondContact O-SG 2.91Å
349	P	94.1	Very high	94.8	Very high	82 Å²	82	39.4 Å²	39.4	53%	0.532	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-47.2	-171.6	-25.1	35.8	0	0	0	112	Q353	P349-Q353 VanDerWaalsContact O-CB 3.28Å; P349-Q353 WeakPolarHBondContact O-CB 3.43Å; P349-Q353 PolarHBondContact O-N 2.91Å
350	E	96.5	Very high	94.9	Very high	68 Å²	68	38.8 Å²	38.8	32%	0.318	21%	0.208	S	C	.	.	H	α-helix	trans	-71.2	-44.5	-178.5	177.6	166.2	-113.8	0	0	112.4	Y221 R222 Y348 C352 Q353 G354 P404	Y221-E350 HydrophobicContact CE2-CG 4.1Å; Y221-E350 WeakPolarHBondContact OH-CB 3.33Å; Y221-E350 WeakPolarHBondContact OH-CG 3.38Å; Y221-E350 PolarHBondContact OH-OE2 3.11Å; R222-E350 IonicContact CZ-OE1 3.3Å; R222-E350 IonicContact CZ-OE2 3.65Å; R222-E350 IonicContact NE-OE2 2.71Å; R222-E350 IonicContact NH1-OE1 3.9Å; R222-E350 IonicContact NH2-OE1 2.82Å; R222-E350 PolarHBondContact NH2-OE1 3.1Å; R222-E350 IonicContact NH2-OE2 3.69Å; R222-E350 PolarHBondContact NH2-OE2 2.75Å; Y348-E350 PolarHBondContact O-N 3.23Å; E350-C352 PolarHBondContact O-N 3.31Å; E350-Q353 PolarHBondContact O-N 3.45Å; E350-G354 PolarHBondContact O-N 2.95Å; E350-P404 HydrophobicContact CG-CB 3.54Å; E350-P404 HydrophobicContact CG-CG 3.9Å
351	L	97.6	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.1	179.3	63.6	0	0	0	111.4	I18 W209 Y221 L319 C343 L347 Y348 G354 I355 F405	I18-L351 HydrophobicContact CD1-CD2 4.44Å; W209-L351 HydrophobicContact CB-CD1 4.36Å; W209-L351 HydrophobicContact CB-CD2 4.37Å; W209-L351 HydrophobicContact CD2-CD2 4.38Å; W209-L351 HydrophobicContact CG-CD2 3.99Å; Y221-L351 HydrophobicContact CD1-CD1 4.12Å; Y221-L351 HydrophobicContact CD2-CD1 3.71Å; Y221-L351 HydrophobicContact CE1-CB 4.23Å; Y221-L351 HydrophobicContact CE1-CD1 4.43Å; Y221-L351 HydrophobicContact CE2-CB 4.05Å; Y221-L351 HydrophobicContact CE2-CD1 4Å; Y221-L351 HydrophobicContact CG-CD1 3.78Å; Y221-L351 PolarHBondContact OH-N 3.27Å; L319-L351 HydrophobicContact CD1-CD1 4.32Å; L319-L351 HydrophobicContact CD2-CD2 4.23Å; C343-L351 HydrophobicContact CB-CD2 4.02Å; C343-L351 WeakPolarHBondContact SG-CD2 3.42Å; L347-L351 WeakPolarHBondContact O-CB 3.18Å; L347-L351 PolarHBondContact O-N 2.93Å; Y348-L351 PolarHBondContact O-N 3.3Å; L351-G354 PolarHBondContact O-N 3.32Å; L351-I355 HydrophobicContact CG-CD1 4.24Å; L351-I355 VanDerWaalsContact O-CG1 3.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.23Å; L351-I355 PolarHBondContact O-N 3.19Å; L351-F405 HydrophobicContact CD1-CE1 3.97Å; L351-F405 HydrophobicContact CD1-CZ 3.76Å
352	C	97.8	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-39.5	-178.3	-63.6	0	0	0	0	111.9	E21 V22 I25 Y348 E350 I355 I356	E21-C352 HydrophobicContact CB-CB 4.41Å; E21-C352 HydrophobicContact CG-CB 4.26Å; V22-C352 HydrophobicContact CG2-CB 3.88Å; I25-C352 HydrophobicContact CD1-CB 3.84Å; Y348-C352 VanDerWaalsContact O-CB 3.22Å; Y348-C352 WeakPolarHBondContact O-CB 3.31Å; Y348-C352 PolarHBondContact O-N 3.18Å; Y348-C352 PolarHBondContact O-SG 2.91Å; E350-C352 PolarHBondContact O-N 3.31Å; C352-I355 PolarHBondContact O-N 3.36Å; C352-I356 WeakPolarHBondContact O-CG1 3.31Å; C352-I356 PolarHBondContact O-N 3.31Å; C352-I356 VanDerWaalsContact O-N 3.17Å
353	Q	96.4	Very high	95.1	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.341	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-45.7	172.3	-174.1	60	53.4	0	0	110.9	P349 E350 I355 I356 D357	P349-Q353 VanDerWaalsContact O-CB 3.28Å; P349-Q353 WeakPolarHBondContact O-CB 3.43Å; P349-Q353 PolarHBondContact O-N 2.91Å; E350-Q353 PolarHBondContact O-N 3.45Å; Q353-I355 VanDerWaalsContact C-N 3.32Å; Q353-I355 PolarHBondContact O-N 3.19Å; Q353-I356 WeakPolarHBondContact O-CA 3.34Å; Q353-I356 WeakPolarHBondContact O-CB 3.25Å; Q353-I356 PolarHBondContact O-N 2.83Å; Q353-D357 PolarHBondContact NE2-OD1 3.13Å; Q353-D357 VanDerWaalsContact O-CG 3.26Å; Q353-D357 PolarHBondContact O-N 3.19Å
354	G	96.7	Very high	95.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-38.9	176.5	0	0	0	0	0	113.3	E350 L351 I356 D357 V358	E350-G354 PolarHBondContact O-N 2.95Å; L351-G354 PolarHBondContact O-N 3.32Å; G354-I356 VanDerWaalsContact C-N 3.29Å; G354-I356 PolarHBondContact O-N 3.32Å; G354-D357 PolarHBondContact O-N 2.85Å; G354-V358 WeakPolarHBondContact O-CB 3.09Å; G354-V358 WeakPolarHBondContact O-CG2 3.32Å; G354-V358 PolarHBondContact O-N 3.04Å
355	I	98.1	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-43	174.1	-69.6	164.3	0	0	0	110.4	I18 V22 L211 F317 L319 L351 C352 Q353 A359 I360	I18-I355 HydrophobicContact CG2-CD1 3.82Å; V22-I355 HydrophobicContact CG2-CG2 4.37Å; L211-I355 HydrophobicContact CD1-CG1 4.42Å; L211-I355 HydrophobicContact CD2-CG1 4.31Å; F317-I355 HydrophobicContact CE2-CG2 3.83Å; L319-I355 HydrophobicContact CD1-CD1 4.34Å; L319-I355 HydrophobicContact CD2-CD1 4Å; L351-I355 HydrophobicContact CG-CD1 4.24Å; L351-I355 VanDerWaalsContact O-CG1 3.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.23Å; L351-I355 PolarHBondContact O-N 3.19Å; C352-I355 PolarHBondContact O-N 3.36Å; Q353-I355 VanDerWaalsContact C-N 3.32Å; Q353-I355 PolarHBondContact O-N 3.19Å; I355-A359 WeakPolarHBondContact O-CA 3.32Å; I355-A359 WeakPolarHBondContact O-CB 3.41Å; I355-A359 PolarHBondContact O-N 3.09Å; I355-I360 HydrophobicContact CG2-CD1 4.45Å; I355-I360 PolarHBondContact O-N 2.87Å
356	I	96.9	Very high	93.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.196	C	C	.	.	I	π-helix	trans	-62.7	-52	177.3	-68.3	165.2	0	0	0	110	V22 I25 L26 C352 Q353 G354 V358 I360 S361	V22-I356 HydrophobicContact CG1-CD1 4.19Å; V22-I356 HydrophobicContact CG1-CG1 3.92Å; I25-I356 HydrophobicContact CB-CD1 3.5Å; I25-I356 HydrophobicContact CD1-CD1 4.18Å; I25-I356 HydrophobicContact CG1-CD1 4.45Å; I25-I356 HydrophobicContact CG2-CD1 3.33Å; L26-I356 HydrophobicContact CD2-CD1 4.24Å; L26-I356 HydrophobicContact CD2-CG1 4.15Å; L26-I356 HydrophobicContact CD2-CG2 4.18Å; L26-I356 HydrophobicContact CG-CD1 4.25Å; L26-I356 HydrophobicContact CG-CG1 4.45Å; C352-I356 WeakPolarHBondContact O-CG1 3.31Å; C352-I356 PolarHBondContact O-N 3.31Å; C352-I356 VanDerWaalsContact O-N 3.17Å; Q353-I356 WeakPolarHBondContact O-CA 3.34Å; Q353-I356 WeakPolarHBondContact O-CB 3.25Å; Q353-I356 PolarHBondContact O-N 2.83Å; G354-I356 VanDerWaalsContact C-N 3.29Å; G354-I356 PolarHBondContact O-N 3.32Å; I356-V358 PolarHBondContact O-N 2.83Å; I356-I360 HydrophobicContact CG1-CD1 4.05Å; I356-I360 CarbonylContact O-C 3.5Å; I356-I360 WeakPolarHBondContact O-CB 3.49Å; I356-I360 PolarHBondContact O-N 2.95Å; I356-I360 VanDerWaalsContact O-N 3.11Å; I356-S361 WeakPolarHBondContact O-CB 3.48Å; I356-S361 PolarHBondContact O-N 2.98Å; I356-S361 PolarHBondContact O-OG 3.44Å
357	D	95.1	Very high	90.9	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	19%	0.191	S	C	.	.	I	π-helix	trans	-61.7	-44.8	-175.2	-61.9	-20	0	0	0	112	Q353 G354	Q353-D357 PolarHBondContact NE2-OD1 3.13Å; Q353-D357 VanDerWaalsContact O-CG 3.26Å; Q353-D357 PolarHBondContact O-N 3.19Å; G354-D357 PolarHBondContact O-N 2.85Å
358	V	95.8	Very high	88.2	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.036	23%	0.225	C	C	.	.	I	π-helix	trans	-87.2	-43.5	-172	178	0	0	0	0	112.7	L211 Y219 G354 I356 S362 V402 F405	L211-V358 HydrophobicContact CD2-CB 3.97Å; L211-V358 HydrophobicContact CD2-CG1 4Å; Y219-V358 HydrophobicContact CD1-CG1 4.32Å; Y219-V358 HydrophobicContact CD2-CG1 3.67Å; Y219-V358 HydrophobicContact CE1-CG1 4.08Å; Y219-V358 HydrophobicContact CE2-CG1 3.35Å; Y219-V358 HydrophobicContact CG-CG1 4.13Å; G354-V358 WeakPolarHBondContact O-CB 3.09Å; G354-V358 WeakPolarHBondContact O-CG2 3.32Å; G354-V358 PolarHBondContact O-N 3.04Å; I356-V358 PolarHBondContact O-N 2.83Å; V358-S362 VanDerWaalsContact O-CB 3.26Å; V358-S362 WeakPolarHBondContact O-CB 3.3Å; V358-S362 PolarHBondContact O-OG 2.86Å; V358-V402 HydrophobicContact CG2-CB 4.46Å; V358-V402 HydrophobicContact CG2-CG1 3.8Å; V358-F405 HydrophobicContact CG2-CD2 3.89Å; V358-F405 HydrophobicContact CG2-CE2 4.26Å
359	A	97.1	Very high	85.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-101.4	-28.9	-171.5	0	0	0	0	0	114.2	L66 L211 F317 I355	L66-A359 WeakPolarHBondContact CD2-O 3.18Å; L211-A359 HydrophobicContact CD1-CB 4.12Å; L211-A359 HydrophobicContact CD2-CB 4.11Å; L211-A359 HydrophobicContact CG-CB 4.47Å; F317-A359 HydrophobicContact CB-CB 3.81Å; F317-A359 HydrophobicContact CD1-CB 4.25Å; F317-A359 HydrophobicContact CD2-CB 3.57Å; F317-A359 HydrophobicContact CE2-CB 4.14Å; F317-A359 HydrophobicContact CG-CB 3.62Å; I355-A359 WeakPolarHBondContact O-CA 3.32Å; I355-A359 WeakPolarHBondContact O-CB 3.41Å; I355-A359 PolarHBondContact O-N 3.09Å
360	I	97.3	Very high	82.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-100.8	-56.9	-173.7	-58.5	173.7	0	0	0	110.9	V22 L26 W32 L44 F317 I355 I356 S362 V363 F364	V22-I360 HydrophobicContact CG1-CD1 3.78Å; L26-I360 HydrophobicContact CD1-CD1 4.38Å; L26-I360 HydrophobicContact CD2-CG2 4.24Å; W32-I360 HydrophobicContact CH2-CG2 3.91Å; W32-I360 HydrophobicContact CZ2-CG2 3.57Å; L44-I360 HydrophobicContact CD2-CD1 3.84Å; L44-I360 HydrophobicContact CD2-CG1 4.33Å; L44-I360 HydrophobicContact CD2-CG2 4.13Å; F317-I360 HydrophobicContact CE1-CG1 4.18Å; F317-I360 HydrophobicContact CZ-CD1 4.19Å; F317-I360 HydrophobicContact CZ-CG1 3.98Å; I355-I360 HydrophobicContact CG2-CD1 4.45Å; I355-I360 PolarHBondContact O-N 2.87Å; I356-I360 HydrophobicContact CG1-CD1 4.05Å; I356-I360 CarbonylContact O-C 3.5Å; I356-I360 WeakPolarHBondContact O-CB 3.49Å; I356-I360 PolarHBondContact O-N 2.95Å; I356-I360 VanDerWaalsContact O-N 3.11Å; I360-S362 PolarHBondContact O-N 3Å; I360-V363 PolarHBondContact O-N 3.38Å; I360-F364 HydrophobicContact CG2-CD2 4Å; I360-F364 WeakPolarHBondContact O-CD2 3.26Å; I360-F364 PolarHBondContact O-N 2.71Å
361	S	94.5	Very high	79.5	Confident	21 Å²	21	49.7 Å²	49.7	15%	0.147	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.6	-178.1	-63.9	0	0	0	0	113	I356 V363 F364 T365	I356-S361 WeakPolarHBondContact O-CB 3.48Å; I356-S361 PolarHBondContact O-N 2.98Å; I356-S361 PolarHBondContact O-OG 3.44Å; S361-V363 PolarHBondContact O-N 2.85Å; S361-F364 WeakPolarHBondContact CA-O 3.44Å; S361-F364 CarbonylContact O-C 3.17Å; S361-F364 VanDerWaalsContact O-C 3.28Å; S361-F364 PolarHBondContact O-N 3.28Å; S361-T365 PolarHBondContact O-N 3.07Å
362	S	93.4	Very high	76.5	Confident	55 Å²	55	55.1 Å²	55.1	39%	0.385	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.2	172.4	61.1	0	0	0	0	113.3	V358 I360	V358-S362 VanDerWaalsContact O-CB 3.26Å; V358-S362 WeakPolarHBondContact O-CB 3.3Å; V358-S362 PolarHBondContact O-OG 2.86Å; I360-S362 PolarHBondContact O-N 3Å
363	V	94.9	Very high	73.3	Confident	32 Å²	32	59.6 Å²	59.6	19%	0.194	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-41.3	172.9	-177.1	0	0	0	0	110.8	V64 L66 H214 I360 S361	V64-V363 HydrophobicContact CG1-CG1 3.8Å; L66-V363 HydrophobicContact CD1-CG2 4.2Å; L66-V363 HydrophobicContact CD2-CB 4.31Å; L66-V363 HydrophobicContact CD2-CG2 3.95Å; H214-V363 WeakPolarHBondContact CE1-CG2 3.5Å; H214-V363 VanDerWaalsContact ND1-CG2 3.34Å; H214-V363 WeakPolarHBondContact ND1-CG2 3.36Å; I360-V363 PolarHBondContact O-N 3.38Å; S361-V363 PolarHBondContact O-N 2.85Å
364	F	93.3	Very high	70.3	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.018	39%	0.392	C	S	.	.	S	Bend	trans	-115.5	80.2	-174	-52.8	-66	0	0	0	109.1	Y7 W32 N43 L44 V64 L66 I360 S361 L366	Y7-F364 HydrophobicContact CD1-CB 4.09Å; Y7-F364 AromaticContact CD1-CD1 3.87Å; Y7-F364 HydrophobicContact CD1-CD1 3.87Å; Y7-F364 HydrophobicContact CD1-CG 4.21Å; Y7-F364 HydrophobicContact CD2-CB 4.08Å; Y7-F364 HydrophobicContact CE1-CB 3.85Å; Y7-F364 AromaticContact CE1-CD1 3.79Å; Y7-F364 HydrophobicContact CE1-CD1 3.79Å; Y7-F364 HydrophobicContact CE1-CG 4.22Å; Y7-F364 HydrophobicContact CE2-CB 3.84Å; Y7-F364 HydrophobicContact CG-CB 4.2Å; W32-F364 HydrophobicContact CH2-CB 4.22Å; W32-F364 AromaticContact CH2-CD2 3.47Å; W32-F364 HydrophobicContact CH2-CD2 3.47Å; W32-F364 VanDerWaalsContact CH2-CD2 3.47Å; W32-F364 AromaticContact CH2-CE2 3.93Å; W32-F364 HydrophobicContact CH2-CE2 3.93Å; W32-F364 AromaticContact CH2-CG 3.88Å; W32-F364 HydrophobicContact CH2-CG 3.88Å; W32-F364 HydrophobicContact CZ2-CB 3.86Å; W32-F364 AromaticContact CZ2-CD2 3.81Å; W32-F364 HydrophobicContact CZ2-CD2 3.81Å; W32-F364 HydrophobicContact CZ2-CG 4.03Å; N43-F364 HydrophobicContact CB-CD1 4.34Å; N43-F364 HydrophobicContact CB-CE1 3.72Å; N43-F364 HydrophobicContact CB-CE2 4.49Å; N43-F364 HydrophobicContact CB-CZ 3.8Å; N43-F364 WeakPolarHBondContact O-CZ 3.39Å; L44-F364 HydrophobicContact CB-CE2 4.45Å; V64-F364 HydrophobicContact CB-CE1 4.15Å; V64-F364 HydrophobicContact CG1-CE1 4.05Å; V64-F364 HydrophobicContact CG1-CZ 4.41Å; L66-F364 HydrophobicContact CB-CE2 3.68Å; L66-F364 HydrophobicContact CB-CZ 3.78Å; L66-F364 HydrophobicContact CD2-CD2 4.42Å; L66-F364 HydrophobicContact CD2-CE2 3.74Å; L66-F364 HydrophobicContact CG-CE2 4.37Å; I360-F364 HydrophobicContact CG2-CD2 4Å; I360-F364 WeakPolarHBondContact O-CD2 3.26Å; I360-F364 PolarHBondContact O-N 2.71Å; S361-F364 WeakPolarHBondContact CA-O 3.44Å; S361-F364 CarbonylContact O-C 3.17Å; S361-F364 VanDerWaalsContact O-C 3.28Å; S361-F364 PolarHBondContact O-N 3.28Å; F364-L366 PolarHBondContact O-N 2.89Å
365	T	80.2	Confident	67.2	Low	86 Å²	86	67 Å²	67	53%	0.528	43%	0.429	S	S	.	.			trans	-52.6	106.9	-179.2	45.6	0	0	0	0	110.9	Y7 S361 N367	Y7-T365 PolarHBondContact OH-O 3.41Å; S361-T365 PolarHBondContact O-N 3.07Å; T365-N367 PolarHBondContact O-N 3.26Å
366	L	58.6	Low	63.8	Low	54 Å²	54	72.3 Å²	72.3	28%	0.283	47%	0.466	S	S	.	.			trans	-66.4	110.3	157.1	-62.3	172.3	0	0	0	104.6	H31 F364 S368	H31-L366 HydrophobicContact CB-CD2 3.57Å; F364-L366 PolarHBondContact O-N 2.89Å; L366-S368 PolarHBondContact O-N 2.82Å
367	N	46.5	Very low	60.9	Low	110 Å²	110	77.5 Å²	77.5	59%	0.588	50%	0.5	S	S	*	.			trans	-55.6	100.3	178.9	-74.4	-21.3	0	0	0	109.6	T365	T365-N367 PolarHBondContact O-N 3.26Å
368	S	38.3	Very low	57.8	Low	112 Å²	112	85.1 Å²	85.1	78%	0.783	53%	0.525	S	S	*	.			trans	-73.5	129.6	142.9	59.8	0	0	0	0	105.8	L366	L366-S368 PolarHBondContact O-N 2.82Å
369	E	36.2	Very low	54.6	Low	180 Å²	180	90.2 Å²	90.2	84%	0.841	56%	0.56	S	S	*	*			trans	-30.4	135.7	-172	-63.1	177	152.7	0	0	115.6	S371	E369-S371 PolarHBondContact O-N 3.16Å
370	S	32.5	Very low	51.4	Low	114 Å²	114	95.4 Å²	95.4	80%	0.797	60%	0.597	S	S	*	*			trans	-50.3	99.9	173.6	51.7	0	0	0	0	112.4	S372	S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 2.85Å
371	S	31.6	Very low	48.2	Very low	117 Å²	117	101 Å²	101	82%	0.818	64%	0.636	S	S	*	*			trans	-79.5	90.1	155	60	0	0	0	0	107.9	E369 A373	E369-S371 PolarHBondContact O-N 3.16Å; S371-A373 PolarHBondContact O-N 2.87Å
372	S	34.9	Very low	46	Very low	113 Å²	113	105.8 Å²	105.8	79%	0.79	67%	0.667	S	S	*	*			trans	-60	103.7	168.6	52.7	0	0	0	0	110	S370	S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 2.85Å
373	A	32.1	Very low	43	Very low	94 Å²	94	109.2 Å²	109.2	78%	0.777	69%	0.69	S	S	*	*			trans	-108.1	91.7	158.3	0	0	0	0	0	107.8	S371 S375	S371-A373 PolarHBondContact O-N 2.87Å; A373-S375 PolarHBondContact O-N 2.92Å
374	S	32.8	Very low	40.1	Very low	116 Å²	116	112.8 Å²	112.8	81%	0.811	72%	0.717	S	S	*	*			trans	-67.2	113.1	166.3	51.8	0	0	0	0	109.3
375	S	30.8	Very low	37.1	Very low	114 Å²	114	120 Å²	120	80%	0.797	76%	0.755	S	S	*	*			trans	-109.4	99.4	164.7	60.5	0	0	0	0	109.6	A373	A373-S375 PolarHBondContact O-N 2.92Å
376	S	28.1	Very low	34.7	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	77%	0.767	S	S	*	*			trans	-66.3	143.5	165	-58.7	0	0	0	0	110.4
377	P	35.1	Very low	33.2	Very low	111 Å²	111	128 Å²	128	72%	0.721	79%	0.792	S	S	*	*			trans	-107.1	106	176.7	34.3	-22.2	0	0	0	110.6
378	Y	29.4	Very low	32.3	Very low	238 Å²	238	128.3 Å²	128.3	93%	0.933	80%	0.802	S	S	*	*			trans	-157.6	139.5	158.1	-97.2	-72	0	0	0	112.3
379	S	28.5	Very low	32	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	81%	0.807	S	S	*	*			trans	75.8	127.6	162.7	-174.7	0	0	0	0	115.6
380	S	30.6	Very low	31.7	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	80%	0.804	S	S	*	*			cis	-166.8	154.7	27.2	28.8	0	0	0	0	111
381	S	30	Very low	31.8	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	81%	0.809	S	S	*	*			trans	-74.7	-173.1	174.6	-37.5	0	0	0	0	113.1
382	P	49.3	Very low	31.7	Very low	123 Å²	123	128 Å²	128	80%	0.799	81%	0.805	S	S	*	*				-112.7	160.8	-118.2	33.6	-14.1	0	0	0	114.2
383	S	30.1	Very low	31.7	Very low	126 Å²	126	127.3 Å²	127.3	88%	0.881	80%	0.801	S	S	*	*			trans	-153	130	155.1	43	0	0	0	0	111.6
384	S	33.5	Very low	31.7	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	80%	0.801	S	S	*	*			trans	-84.2	142.8	173.4	42.4	0	0	0	0	110.5
385	L	30	Very low	31.8	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	80%	0.803	S	S	*	*			trans	-179	111.9	138.2	-99.4	137.7	0	0	0	111.8
386	F	29.3	Very low	32	Very low	178 Å²	178	135.4 Å²	135.4	78%	0.781	81%	0.809	S	S	*	*			trans	53.7	136.3	138.6	-76.9	-92.7	0	0	0	126.1
387	T	28.2	Very low	32.6	Very low	131 Å²	131	140.8 Å²	140.8	80%	0.804	81%	0.813	S	S	*	*			trans	66.4	137	154.4	57.1	0	0	0	0	117.9
388	S	28.1	Very low	33.1	Very low	115 Å²	115	138 Å²	138	80%	0.804	80%	0.803	S	S	*	*			cis	-163.4	159.3	30.8	48.3	0	0	0	0	111.7
389	N	32	Very low	34.4	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	78%	0.782	S	S	*	*			trans	-38.6	132.7	173.2	-73.6	-26.4	0	0	0	116.5
390	S	28.1	Very low	36.3	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	77%	0.773	S	S	*	*			trans	-144.7	116.6	135.9	58.8	0	0	0	0	110	S392	S390-S392 PolarHBondContact O-N 3.28Å
391	C	34.5	Very low	38.4	Very low	136 Å²	136	130.9 Å²	130.9	92%	0.919	76%	0.764	S	S	*	*			trans	-68.3	106.6	173	-161.7	0	0	0	0	107.6
392	S	30.8	Very low	40.8	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	74%	0.74	S	S	*	*			trans	-107.7	111.7	167.9	45.7	0	0	0	0	107.9	S390	S390-S392 PolarHBondContact O-N 3.28Å
393	S	33.9	Very low	42.5	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	73%	0.729	S	S	*	*			trans	-48.1	139.8	168.2	-49	0	0	0	0	109.3	K395	S393-K395 PolarHBondContact O-N 3.46Å
394	P	33.1	Very low	45.5	Very low	122 Å²	122	119 Å²	119	79%	0.792	69%	0.689	S	S	*	*			trans	-61.7	109.7	176	24.5	-30.1	0	0	0	107.6	L396	P394-L396 PolarHBondContact O-N 2.98Å
395	K	35.3	Very low	48.4	Very low	196 Å²	196	113.8 Å²	113.8	85%	0.852	65%	0.653	S	S	*	*			trans	-55.7	107.1	163.2	-74.3	-178.2	177.6	179.7	0	105.4	S393 R397	S393-K395 PolarHBondContact O-N 3.46Å; K395-R397 VanDerWaalsContact C-N 3.33Å; K395-R397 PolarHBondContact O-N 3Å
396	L	34.8	Very low	51.5	Low	176 Å²	176	107.1 Å²	107.1	92%	0.921	62%	0.619	S	S	*	*			trans	-48.7	104.3	165.6	-88.7	138.7	0	0	0	106.1	P394 G398	P394-L396 PolarHBondContact O-N 2.98Å; L396-G398 PolarHBondContact O-N 2.95Å; L396-G398 VanDerWaalsContact O-N 3.08Å
397	R	41	Very low	54.7	Low	224 Å²	224	104.2 Å²	104.2	85%	0.845	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-61	117.5	172.7	-79.4	-175.8	-179.6	-173.4	-0.1	105.2	K395	K395-R397 VanDerWaalsContact C-N 3.33Å; K395-R397 PolarHBondContact O-N 3Å
398	G	44.3	Very low	57.8	Low	51 Å²	51	100.6 Å²	100.6	53%	0.526	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-54.5	162.5	170.2	0	0	0	0	0	110.5	L396 L400	L396-G398 PolarHBondContact O-N 2.95Å; L396-G398 VanDerWaalsContact O-N 3.08Å; G398-L400 PolarHBondContact O-N 2.96Å
399	P	57.8	Low	59.3	Low	76 Å²	76	99.9 Å²	99.9	49%	0.494	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-50.4	130.2	178.7	16.1	-27.1	0	0	0	111.2	H401 T406	P399-H401 PolarHBondContact O-CD2 2.75Å; P399-H401 PolarHBondContact O-N 2.95Å; P399-H401 VanDerWaalsContact O-N 3.1Å; P399-T406 HydrophobicContact CB-CG2 3.58Å
400	L	67.4	Low	60.8	Low	111 Å²	111	96.4 Å²	96.4	58%	0.581	55%	0.55	S	S	*	*			trans	-73.2	101.8	170.3	-85.3	123	0	0	0	107.9	G398 R407	G398-L400 PolarHBondContact O-N 2.96Å; L400-R407 PolarHBondContact O-N 2.8Å
401	H	74.6	Confident	62.6	Low	123 Å²	123	95.7 Å²	95.7	57%	0.569	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.1	170.3	-69.1	-73.1	0	0	0	109.8	P399 F405 T406	P399-H401 PolarHBondContact O-CD2 2.75Å; P399-H401 PolarHBondContact O-N 2.95Å; P399-H401 VanDerWaalsContact O-N 3.1Å; H401-F405 WeakPolarHBondContact CA-O 3.21Å; H401-T406 PolarHBondContact CE1-OG1 3.24Å; H401-T406 PolarHBondContact ND1-OG1 3.01Å
402	V	81.2	Confident	64.2	Low	54 Å²	54	93.3 Å²	93.3	33%	0.327	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	98.9	174.8	-171.1	0	0	0	0	107.3	Y219 V358 F405	Y219-V402 HydrophobicContact CE1-CB 4.24Å; Y219-V402 HydrophobicContact CE1-CG2 4.07Å; V358-V402 HydrophobicContact CG2-CB 4.46Å; V358-V402 HydrophobicContact CG2-CG1 3.8Å; V402-F405 PolarHBondContact N-O 3.06Å; V402-F405 PolarHBondContact O-N 3.12Å; V402-F405 VanDerWaalsContact O-N 3.13Å
403	G	85.3	Confident	66.3	Low	55 Å²	55	92.6 Å²	92.6	57%	0.567	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-130.2	-169.3	0	0	0	0	0	111.1	F405	G403-F405 PolarHBondContact O-N 2.93Å
404	P	91.5	Very high	68.5	Low	7 Å²	7	92.1 Å²	92.1	5%	0.045	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.1	179.7	38.3	-38.5	0	0	0	113.6	Y221 R222 E350	Y221-P404 HydrophobicContact CD2-CB 3.94Å; Y221-P404 HydrophobicContact CD2-CG 4.06Å; Y221-P404 HydrophobicContact CE2-CB 3.49Å; Y221-P404 VanDerWaalsContact CE2-CB 3.49Å; Y221-P404 HydrophobicContact CE2-CG 3.73Å; R222-P404 WeakPolarHBondContact CB-O 3.48Å; R222-P404 WeakPolarHBondContact CG-O 3.33Å; R222-P404 PolarHBondContact N-O 3.09Å; E350-P404 HydrophobicContact CG-CB 3.54Å; E350-P404 HydrophobicContact CG-CG 3.9Å
405	F	95.6	Very high	71	Confident	0 Å²	0	90 Å²	90	0%	0	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	152.1	-178.9	-61.8	-83	0	0	0	113.1	L211 Y219 L220 Y221 L351 V358 H401 V402 G403	L211-F405 HydrophobicContact CB-CD1 4.46Å; L211-F405 HydrophobicContact CB-CE1 3.86Å; L211-F405 HydrophobicContact CB-CZ 4.06Å; L211-F405 HydrophobicContact CD2-CE1 4.39Å; L211-F405 HydrophobicContact CD2-CE2 3.93Å; L211-F405 HydrophobicContact CD2-CZ 3.81Å; Y219-F405 HydrophobicContact CD1-CB 4.1Å; Y219-F405 HydrophobicContact CG-CB 4.29Å; L220-F405 CarbonylContact O-C 3.54Å; L220-F405 WeakPolarHBondContact O-CA 3.43Å; Y221-F405 HydrophobicContact CD2-CD1 4.23Å; Y221-F405 AromaticContact CD2-CE1 3.96Å; Y221-F405 HydrophobicContact CD2-CE1 3.96Å; Y221-F405 HydrophobicContact CD2-CZ 4.29Å; Y221-F405 HydrophobicContact CG-CE1 4.31Å; L351-F405 HydrophobicContact CD1-CE1 3.97Å; L351-F405 HydrophobicContact CD1-CZ 3.76Å; V358-F405 HydrophobicContact CG2-CD2 3.89Å; V358-F405 HydrophobicContact CG2-CE2 4.26Å; H401-F405 WeakPolarHBondContact CA-O 3.21Å; V402-F405 PolarHBondContact N-O 3.06Å; V402-F405 PolarHBondContact O-N 3.12Å; V402-F405 VanDerWaalsContact O-N 3.13Å; G403-F405 PolarHBondContact O-N 2.93Å
406	T	95.3	Very high	73.8	Confident	15 Å²	15	81.8 Å²	81.8	9%	0.092	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.9	162.9	-60.5	0	0	0	0	108.6	Y219 L220 P399 H401 L408	Y219-T406 WeakPolarHBondContact CA-O 3.39Å; L220-T406 PolarHBondContact N-O 3.01Å; L220-T406 PolarHBondContact O-N 3.45Å; P399-T406 HydrophobicContact CB-CG2 3.58Å; H401-T406 PolarHBondContact CE1-OG1 3.24Å; H401-T406 PolarHBondContact ND1-OG1 3.01Å; T406-L408 HydrophobicContact CG2-CD2 4.45Å; T406-L408 PolarHBondContact O-N 3.49Å
407	R	95.5	Very high	77	Confident	116 Å²	116	74 Å²	74	44%	0.438	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.6	171.1	-170	172.1	174.8	-170.7	-3.7	109.4	N217 I218 Y219 L400	N217-R407 PolarHBondContact OD1-NE 3.24Å; N217-R407 PolarHBondContact OD1-NH2 3.34Å; I218-R407 WeakPolarHBondContact O-CA 3.45Å; Y219-R407 HydrophobicContact CD1-CB 3.92Å; Y219-R407 HydrophobicContact CD1-CG 4.23Å; Y219-R407 HydrophobicContact CE1-CB 3.87Å; Y219-R407 HydrophobicContact CE1-CG 3.93Å; L400-R407 PolarHBondContact O-N 2.8Å
408	L	94.6	Very high	80.3	Confident	56 Å²	56	60.4 Å²	60.4	29%	0.293	36%	0.358	S	S	.	.			trans	-84.5	0	-179.4	-66.9	-164.3	0	0	0	110.4	I218 L220 K293 I296 K297 T406	I218-L408 HydrophobicContact CB-CB 4.26Å; I218-L408 HydrophobicContact CG2-CB 4.1Å; I218-L408 HydrophobicContact CG2-CD1 3.96Å; I218-L408 HydrophobicContact CG2-CG 4.26Å; I218-L408 PolarHBondContact O-N 3.23Å; L220-L408 HydrophobicContact CB-CD1 4.05Å; L220-L408 HydrophobicContact CB-CD2 3.9Å; L220-L408 HydrophobicContact CB-CG 3.95Å; L220-L408 HydrophobicContact CD2-CD2 4.29Å; K293-L408 HydrophobicContact CB-CD2 4.22Å; K293-L408 HydrophobicContact CD-CD2 4.05Å; K293-L408 HydrophobicContact CG-CD2 3.73Å; I296-L408 HydrophobicContact CB-CD1 4.04Å; I296-L408 HydrophobicContact CG2-CD1 3.63Å; K297-L408 HydrophobicContact CD-CB 4.38Å; K297-L408 VanDerWaalsContact CE-CB 3.44Å; K297-L408 WeakPolarHBondContact CE-OXT 3.36Å; K297-L408 HydrophobicContact CG-CB 4Å; K297-L408 HydrophobicContact CG-CD1 4.25Å; K297-L408 PolarHBondContact NZ-OXT 3.12Å; T406-L408 HydrophobicContact CG2-CD2 4.45Å; T406-L408 PolarHBondContact O-N 3.49Å

Retrieved 408 of 408 residues in 285.1 ms (Link to these results)

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