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8-oxo-dGDP phosphatase NUDT18

Mediates the hydrolysis of oxidized nucleoside diphosphate derivatives. Hydrolyzes 8-oxo-7,8-dihydroguanine (8-oxo-Gua)-containing deoxyribo- and ribonucleoside diphosphates to the monophosphates. Hydrolyzes 8-oxo-dGDP and 8-oxo-GDP with the same efficiencies. Also hydrolyzes 8-OH-dADP and 2-OH-dADP. Exhibited no or minimal hydrolysis activity against 8-oxo-dGTP, 8-oxo-GTP, dGTP, GTP, dGDP and GDP. Probably removes oxidized guanine nucleotides from both the DNA and RNA precursor pools.

AlphaFold DB , UniProt , Accession A0A060WN01, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 321 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	58.8	Low	91.4	Very high	159 Å²	159	45.6 Å²	45.6	78%	0.783	23%	0.23	S	C	*	.				0	142.1	0	-169.5	166.7	-97.4	0	0	108.4	D6 H209	M1-D6 WeakPolarHBondContact CG-OD2 3Å; M1-H209 HydrophobicContact SD-CB 3.99Å
2	N	85.8	Confident	91.7	Very high	95 Å²	95	50.3 Å²	50.3	51%	0.508	26%	0.256	S	S	.	.			trans	-116.8	100.3	-178.3	-179.2	-13.4	0	0	0	108.5	N4 N5 D6	N2-N4 PolarHBondContact O-N 3.39Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N2-N4 WeakPolarHBondContact OD1-CB 3.21Å; N2-N4 PolarHBondContact OD1-N 3.22Å; N2-N4 VanDerWaalsContact OD1-N 3.14Å; N2-N5 HydrophobicContact CB-CB 3.99Å; N2-N5 WeakPolarHBondContact O-CA 3.45Å; N2-N5 WeakPolarHBondContact O-CB 3.32Å; N2-N5 PolarHBondContact O-N 3.46Å; N2-D6 PolarHBondContact O-N 2.94Å; N2-D6 VanDerWaalsContact O-N 3.08Å
3	V	92.1	Very high	91.9	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-46.5	-42.9	-179.6	174.9	0	0	0	0	111.6	N5 D6 V7 L200 L202 L208 Y294	V3-N5 VanDerWaalsContact C-N 3.34Å; V3-N5 PolarHBondContact O-N 2.93Å; V3-D6 PolarHBondContact O-N 3.39Å; V3-V7 HydrophobicContact CG1-CG2 4.25Å; V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 3.39Å; V3-L200 HydrophobicContact CG1-CD1 4.45Å; V3-L202 HydrophobicContact CB-CD1 4.37Å; V3-L202 HydrophobicContact CG1-CD1 3.83Å; V3-L202 HydrophobicContact CG1-CD2 4.12Å; V3-L202 HydrophobicContact CG2-CD1 3.61Å; V3-L208 HydrophobicContact CG2-CB 4.14Å; V3-Y294 HydrophobicContact CB-CE1 4.48Å; V3-Y294 HydrophobicContact CG1-CD1 4.06Å; V3-Y294 HydrophobicContact CG1-CE1 3.99Å
4	N	94.3	Very high	92.1	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.193	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-40.3	-179.5	-65.9	-28.3	0	0	0	112.2	N2 E8 Y294 L301	N2-N4 PolarHBondContact O-N 3.39Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N2-N4 WeakPolarHBondContact OD1-CB 3.21Å; N2-N4 PolarHBondContact OD1-N 3.22Å; N2-N4 VanDerWaalsContact OD1-N 3.14Å; N4-E8 WeakPolarHBondContact O-CG 3.45Å; N4-E8 PolarHBondContact O-N 3.23Å; N4-Y294 PolarHBondContact OD1-OH 2.99Å; N4-L301 HydrophobicContact CB-CD2 3.78Å; N4-L301 WeakPolarHBondContact OD1-CD2 3.42Å
5	N	95.3	Very high	92.1	Very high	74 Å²	74	48 Å²	48	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.9	175.1	83.5	0	0	0	111.7	N2 V3 E8 K9	N2-N5 HydrophobicContact CB-CB 3.99Å; N2-N5 WeakPolarHBondContact O-CA 3.45Å; N2-N5 WeakPolarHBondContact O-CB 3.32Å; N2-N5 PolarHBondContact O-N 3.46Å; V3-N5 VanDerWaalsContact C-N 3.34Å; V3-N5 PolarHBondContact O-N 2.93Å; N5-E8 PolarHBondContact O-N 2.9Å; N5-K9 WeakPolarHBondContact O-CG 3.43Å; N5-K9 PolarHBondContact O-N 2.84Å
6	D	95.8	Very high	92.3	Very high	14 Å²	14	46.6 Å²	46.6	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-40	-180	-67.4	-14	0	0	0	111	M1 N2 V3 K9 L10 L16 L210	M1-D6 WeakPolarHBondContact CG-OD2 3Å; N2-D6 PolarHBondContact O-N 2.94Å; N2-D6 VanDerWaalsContact O-N 3.08Å; V3-D6 PolarHBondContact O-N 3.39Å; D6-K9 WeakPolarHBondContact O-CB 3.26Å; D6-K9 PolarHBondContact O-N 3.47Å; D6-L10 WeakPolarHBondContact O-CD1 3.43Å; D6-L10 PolarHBondContact O-N 3.12Å; D6-L16 HydrophobicContact CB-CD1 3.74Å; D6-L210 HydrophobicContact CB-CD1 4.48Å
7	V	97.1	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-43.3	172.7	178.9	0	0	0	0	111.5	V3 K9 L10 L11 L188 L200 L210 L301 I305	V3-V7 HydrophobicContact CG1-CG2 4.25Å; V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 3.39Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 2.91Å; V7-L10 PolarHBondContact O-N 3.3Å; V7-L11 HydrophobicContact CG1-CD1 3.94Å; V7-L11 HydrophobicContact CG1-CG 4.25Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.22Å; V7-L11 PolarHBondContact O-N 3.32Å; V7-L188 HydrophobicContact CG1-CD1 3.88Å; V7-L188 HydrophobicContact CG1-CD2 4.43Å; V7-L188 HydrophobicContact CG2-CD1 3.94Å; V7-L200 HydrophobicContact CG2-CD1 3.77Å; V7-L210 HydrophobicContact CG2-CD1 4.44Å; V7-L210 HydrophobicContact CG2-CD2 4.06Å; V7-L301 HydrophobicContact CB-CD1 4.31Å; V7-L301 HydrophobicContact CB-CD2 4.27Å; V7-L301 HydrophobicContact CG1-CD1 3.83Å; V7-L301 HydrophobicContact CG1-CD2 4.33Å; V7-L301 HydrophobicContact CG1-CG 4.33Å; V7-I305 HydrophobicContact CG1-CD1 3.8Å; V7-I305 HydrophobicContact CG1-CG1 4.12Å
8	E	96.9	Very high	92.3	Very high	39 Å²	39	50.6 Å²	50.6	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-45.1	175.1	-78.1	-76.1	-174.2	0	0	111.9	N4 N5 L10 L11 N12 L301 K304	N4-E8 WeakPolarHBondContact O-CG 3.45Å; N4-E8 PolarHBondContact O-N 3.23Å; N5-E8 PolarHBondContact O-N 2.9Å; E8-L10 PolarHBondContact O-N 2.8Å; E8-L11 PolarHBondContact O-N 3.34Å; E8-N12 VanDerWaalsContact O-CG 3.26Å; E8-N12 PolarHBondContact O-N 3.39Å; E8-N12 PolarHBondContact O-ND2 2.82Å; E8-L301 HydrophobicContact CG-CD1 3.79Å; E8-K304 IonicContact OE1-NZ 2.7Å; E8-K304 PolarHBondContact OE1-NZ 3.4Å; E8-K304 IonicContact OE2-NZ 2.75Å; E8-K304 PolarHBondContact OE2-NZ 2.79Å
9	K	96.6	Very high	92	Very high	69 Å²	69	52.7 Å²	52.7	30%	0.3	27%	0.274	S	S	.	.	H	α-helix	trans	-55.9	-49.5	174.5	-77.3	179.8	168.2	-175.2	0	111.7	N5 D6 V7 L11 N12 G13 E14 L16	N5-K9 WeakPolarHBondContact O-CG 3.43Å; N5-K9 PolarHBondContact O-N 2.84Å; D6-K9 WeakPolarHBondContact O-CB 3.26Å; D6-K9 PolarHBondContact O-N 3.47Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 2.91Å; K9-L11 VanDerWaalsContact C-N 3.35Å; K9-L11 PolarHBondContact O-N 2.93Å; K9-N12 CarbonylContact O-C 3.56Å; K9-N12 PolarHBondContact O-N 2.82Å; K9-N12 VanDerWaalsContact O-N 3.1Å; K9-G13 PolarHBondContact O-N 2.74Å; K9-E14 HydrophobicContact CB-CB 4.04Å; K9-E14 WeakPolarHBondContact O-CB 3.43Å; K9-E14 PolarHBondContact O-N 2.97Å; K9-L16 HydrophobicContact CB-CD2 4.49Å; K9-L16 HydrophobicContact CD-CD2 3.65Å
10	L	96.2	Very high	91.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-44.7	177.5	-93.5	69	0	0	0	111.9	D6 V7 E8 N12 G13 L16 R186 L210 L248 N266	D6-L10 WeakPolarHBondContact O-CD1 3.43Å; D6-L10 PolarHBondContact O-N 3.12Å; V7-L10 PolarHBondContact O-N 3.3Å; E8-L10 PolarHBondContact O-N 2.8Å; L10-N12 PolarHBondContact O-N 2.74Å; L10-G13 PolarHBondContact O-N 2.68Å; L10-L16 HydrophobicContact CD1-CD1 3.42Å; L10-L16 VanDerWaalsContact CD1-CD1 3.42Å; L10-L16 HydrophobicContact CD1-CG 3.81Å; L10-R186 HydrophobicContact CD2-CG 4.44Å; L10-L210 HydrophobicContact CD1-CD1 3.9Å; L10-L210 HydrophobicContact CD2-CD1 3.4Å; L10-L210 VanDerWaalsContact CD2-CD1 3.4Å; L10-L210 HydrophobicContact CG-CD1 4.24Å; L10-L248 HydrophobicContact CB-CD1 4.23Å; L10-L248 WeakPolarHBondContact O-CB 3.26Å; L10-N266 HydrophobicContact CD2-CB 4.22Å; L10-N266 HydrophobicContact CG-CB 4.13Å
11	L	96.3	Very high	91.5	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-24.5	178	-68.9	170.8	0	0	0	112.7	V7 E8 K9 G13 L188 L248 L301 K304 I305 R308	V7-L11 HydrophobicContact CG1-CD1 3.94Å; V7-L11 HydrophobicContact CG1-CG 4.25Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.22Å; V7-L11 PolarHBondContact O-N 3.32Å; E8-L11 PolarHBondContact O-N 3.34Å; K9-L11 VanDerWaalsContact C-N 3.35Å; K9-L11 PolarHBondContact O-N 2.93Å; L11-G13 VanDerWaalsContact C-N 3.32Å; L11-L188 HydrophobicContact CD2-CD2 4.34Å; L11-L248 HydrophobicContact CD2-CD1 4.2Å; L11-L248 HydrophobicContact CD2-CD2 4.4Å; L11-L301 HydrophobicContact CD1-CD1 3.73Å; L11-K304 HydrophobicContact CD1-CB 4.06Å; L11-I305 HydrophobicContact CD1-CG1 3.86Å; L11-I305 HydrophobicContact CD2-CG1 4.32Å; L11-R308 HydrophobicContact CD2-CG 3.86Å; L11-R308 PolarHBondContact O-NH2 2.67Å
12	N	95.3	Very high	93.2	Very high	101 Å²	101	51.4 Å²	51.4	54%	0.54	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.2	174.2	-65.2	-27.7	0	0	0	113.4	E8 K9 L10 E14	E8-N12 VanDerWaalsContact O-CG 3.26Å; E8-N12 PolarHBondContact O-N 3.39Å; E8-N12 PolarHBondContact O-ND2 2.82Å; K9-N12 CarbonylContact O-C 3.56Å; K9-N12 PolarHBondContact O-N 2.82Å; K9-N12 VanDerWaalsContact O-N 3.1Å; L10-N12 PolarHBondContact O-N 2.74Å; N12-E14 VanDerWaalsContact C-N 3.3Å; N12-E14 HydrophobicContact CB-CG 4.28Å
13	G	93.8	Very high	93.7	Very high	19 Å²	19	46.9 Å²	46.9	20%	0.196	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	12.6	-177.8	0	0	0	0	0	113.8	K9 L10 L11	K9-G13 PolarHBondContact O-N 2.74Å; L10-G13 PolarHBondContact O-N 2.68Å; L11-G13 VanDerWaalsContact C-N 3.32Å
14	E	95.2	Very high	93.9	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.402	24%	0.24	S	C	.	.			trans	-78.6	164.5	176.2	-59.6	174.6	-127.9	0	0	111.6	K9 N12 N266	K9-E14 HydrophobicContact CB-CB 4.04Å; K9-E14 WeakPolarHBondContact O-CB 3.43Å; K9-E14 PolarHBondContact O-N 2.97Å; N12-E14 VanDerWaalsContact C-N 3.3Å; N12-E14 HydrophobicContact CB-CG 4.28Å; E14-N266 PolarHBondContact O-ND2 2.85Å
15	G	92.6	Very high	94	Very high	12 Å²	12	46.5 Å²	46.5	12%	0.124	25%	0.246	C	C	.	.			trans	-99.6	160.8	176.6	0	0	0	0	0	113.8
16	L	94.4	Very high	93.8	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	24%	0.243	C	C	.	.			trans	-124.4	154.9	165.5	-60.3	173	0	0	0	108.6	D6 K9 L10 M178 R186 L210 Q251	D6-L16 HydrophobicContact CB-CD1 3.74Å; K9-L16 HydrophobicContact CB-CD2 4.49Å; K9-L16 HydrophobicContact CD-CD2 3.65Å; L10-L16 HydrophobicContact CD1-CD1 3.42Å; L10-L16 VanDerWaalsContact CD1-CD1 3.42Å; L10-L16 HydrophobicContact CD1-CG 3.81Å; L16-M178 WeakPolarHBondContact O-CE 3.47Å; L16-R186 VanDerWaalsContact C-NH2 3.29Å; L16-R186 PolarHBondContact O-NH2 2.73Å; L16-L210 HydrophobicContact CD1-CD1 4.41Å; L16-Q251 VanDerWaalsContact O-CD 3.31Å; L16-Q251 PolarHBondContact O-NE2 3.4Å; L16-Q251 PolarHBondContact O-OE1 3.47Å
17	E	93.4	Very high	93.5	Very high	150 Å²	150	50.3 Å²	50.3	70%	0.701	29%	0.285	S	S	*	.			trans	-60.9	142.9	175.2	-166.6	168.2	-169.5	0	0	110.2	M178 R186	E17-M178 HydrophobicContact CB-CE 4.41Å; E17-R186 PolarHBondContact O-NH2 2.92Å
18	V	92.2	Very high	93.1	Very high	15 Å²	15	57.5 Å²	57.5	9%	0.091	32%	0.319	C	S	.	.			trans	-105	110.5	171.3	179.1	0	0	0	0	106.4	F22 V184 R186 V212 C264	V18-F22 HydrophobicContact CG1-CE1 3.84Å; V18-V184 HydrophobicContact CG1-CG2 4.2Å; V18-V184 HydrophobicContact CG2-CG2 4.33Å; V18-R186 VanDerWaalsContact CG2-NH2 3.26Å; V18-V212 HydrophobicContact CG1-CG1 4.38Å; V18-C264 HydrophobicContact CG2-CB 3.73Å
19	N	86.1	Confident	92.9	Very high	91 Å²	91	58.4 Å²	58.4	49%	0.487	33%	0.327	S	S	.	.			trans	-83.8	166.5	176	-58.9	-38.3	0	0	0	110.2	E21	N19-E21 PolarHBondContact O-N 2.75Å
20	D	85.1	Confident	92.5	Very high	127 Å²	127	61.5 Å²	61.5	68%	0.679	34%	0.342	S	S	*	.	S	Bend	trans	-74.6	13.4	178.4	-61.4	-24.2	0	0	0	113.8	H181	D20-H181 IonicContact OD1-CE1 3.09Å; D20-H181 PolarHBondContact OD1-CE1 3.04Å; D20-H181 IonicContact OD1-ND1 3.74Å; D20-H181 PolarHBondContact OD1-ND1 3.15Å; D20-H181 IonicContact OD1-NE2 2.74Å
21	E	88.2	Confident	92.3	Very high	84 Å²	84	63.8 Å²	63.8	39%	0.393	36%	0.361	S	S	.	.			trans	-110.8	105.6	175.9	-73.3	179.6	170	0	0	109.5	N19 K206	N19-E21 PolarHBondContact O-N 2.75Å; E21-K206 VanDerWaalsContact CD-CE 3.42Å; E21-K206 WeakPolarHBondContact OE1-CE 3.33Å; E21-K206 IonicContact OE1-NZ 3.77Å; E21-K206 PolarHBondContact OE1-NZ 2.85Å; E21-K206 WeakPolarHBondContact OE2-CD 3.33Å; E21-K206 WeakPolarHBondContact OE2-CE 3.44Å; E21-K206 IonicContact OE2-NZ 2.86Å; E21-K206 PolarHBondContact OE2-NZ 3.23Å
22	F	95.2	Very high	92.2	Very high	26 Å²	26	64.2 Å²	64.2	11%	0.114	36%	0.364	C	S	.	.			trans	-101.3	138.8	179.2	-52.4	-67.7	0	0	0	110.4	V18 A25 V29 H181 V182 V184 V212 V214	V18-F22 HydrophobicContact CG1-CE1 3.84Å; F22-A25 HydrophobicContact CB-CB 3.91Å; F22-A25 HydrophobicContact CD2-CB 4.39Å; F22-A25 HydrophobicContact CG-CB 4.49Å; F22-V29 HydrophobicContact CD2-CG1 4.44Å; F22-V29 HydrophobicContact CD2-CG2 4.29Å; F22-V29 HydrophobicContact CE2-CG1 3.91Å; F22-H181 AromaticContact CZ-CE1 3.76Å; F22-H181 AromaticContact CZ-NE2 3.96Å; F22-V182 HydrophobicContact CE1-CG2 3.9Å; F22-V182 HydrophobicContact CE2-CG2 4.21Å; F22-V182 HydrophobicContact CZ-CG2 3.45Å; F22-V182 VanDerWaalsContact CZ-CG2 3.45Å; F22-V184 HydrophobicContact CD1-CG1 3.98Å; F22-V184 HydrophobicContact CE1-CG1 3.68Å; F22-V184 HydrophobicContact CZ-CG1 4.47Å; F22-V212 HydrophobicContact CD1-CB 4.45Å; F22-V212 HydrophobicContact CD1-CG1 3.84Å; F22-V212 HydrophobicContact CE1-CG1 4.32Å; F22-V214 HydrophobicContact CB-CG2 3.93Å; F22-V214 HydrophobicContact CD1-CG2 3.84Å; F22-V214 HydrophobicContact CD2-CG2 3.69Å; F22-V214 HydrophobicContact CE1-CG2 4.29Å; F22-V214 HydrophobicContact CE2-CG2 4.16Å; F22-V214 HydrophobicContact CG-CG2 3.51Å; F22-V214 HydrophobicContact CZ-CG2 4.44Å
23	D	96.5	Very high	92.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-74.2	-32.1	178.4	-60.5	-88.5	0	0	0	112.8	G203 H209 P211 V212 L228 R290 F291	D23-G203 WeakPolarHBondContact OD1-CA 3.13Å; D23-H209 IonicContact OD1-CE1 3.63Å; D23-H209 PolarHBondContact OD1-CE1 2.93Å; D23-H209 IonicContact OD1-NE2 3.68Å; D23-H209 PolarHBondContact OD1-NE2 2.76Å; D23-H209 IonicContact OD2-CD2 2.76Å; D23-H209 IonicContact OD2-NE2 2.95Å; D23-H209 PolarHBondContact OD2-NE2 3.28Å; D23-P211 HydrophobicContact CB-CB 4.17Å; D23-P211 WeakPolarHBondContact OD2-CA 3.44Å; D23-V212 PolarHBondContact N-O 3.16Å; D23-V212 PolarHBondContact OD2-N 3.22Å; D23-L228 HydrophobicContact CB-CD1 3.96Å; D23-R290 PolarHBondContact O-NH1 2.82Å; D23-R290 PolarHBondContact O-NH2 3.41Å; D23-F291 HydrophobicContact CB-CE1 3.74Å; D23-F291 HydrophobicContact CB-CZ 3.95Å
24	S	96.1	Very high	92.4	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.014	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-136.7	121.2	172.9	175.8	0	0	0	0	109.2	V212 A213 V214 T227 E231	S24-V212 PolarHBondContact N-O 2.82Å; S24-A213 CarbonylContact O-C 3.53Å; S24-A213 WeakPolarHBondContact O-CA 3.44Å; S24-V214 PolarHBondContact O-N 2.85Å; S24-T227 WeakPolarHBondContact OG-CG2 3.3Å; S24-E231 WeakPolarHBondContact CB-OE1 3.32Å; S24-E231 PolarHBondContact OG-OE1 3.21Å
25	A	95.1	Very high	92.2	Very high	38 Å²	38	61 Å²	61	31%	0.314	34%	0.338	S	S	.	.			trans	-154.1	153.1	-177.5	0	0	0	0	0	110.6	F22 V29 V214	F22-A25 HydrophobicContact CB-CB 3.91Å; F22-A25 HydrophobicContact CD2-CB 4.39Å; F22-A25 HydrophobicContact CG-CB 4.49Å; A25-V29 HydrophobicContact CB-CG2 3.76Å; A25-V214 HydrophobicContact CB-CB 4.18Å; A25-V214 HydrophobicContact CB-CG2 3.68Å
26	P	91.9	Very high	92.3	Very high	53 Å²	53	68.1 Å²	68.1	34%	0.344	37%	0.366	S	S	.	.			trans	-61.9	160.9	167.8	29.2	-35.9	0	0	0	111.1	E28 V29 V216	P26-E28 WeakPolarHBondContact CG-O 3.46Å; P26-E28 PolarHBondContact O-N 3.41Å; P26-E28 VanDerWaalsContact O-N 3.16Å; P26-V29 HydrophobicContact CG-CG2 4.42Å; P26-V216 HydrophobicContact CB-CG1 4.32Å; P26-V216 HydrophobicContact CG-CG1 3.98Å
27	A	89.3	Confident	92.3	Very high	115 Å²	115	69.2 Å²	69.2	95%	0.95	37%	0.374	S	S	*	.	S	Bend	trans	-56	-33.1	178.9	0	0	0	0	0	113.2
28	E	89.3	Confident	92.4	Very high	150 Å²	150	62.1 Å²	62.1	70%	0.701	34%	0.341	S	S	*	.	S	Bend	trans	-117.2	116.4	172.2	-68.2	-175.7	-173.8	0	0	109.9	P26	P26-E28 WeakPolarHBondContact CG-O 3.46Å; P26-E28 PolarHBondContact O-N 3.41Å; P26-E28 VanDerWaalsContact O-N 3.16Å
29	V	91.5	Very high	92.6	Very high	58 Å²	58	63 Å²	63	35%	0.352	35%	0.346	S	S	.	.			trans	-96	119.8	172.6	-177.9	0	0	0	0	108.4	F22 A25 P26 V182	F22-V29 HydrophobicContact CD2-CG1 4.44Å; F22-V29 HydrophobicContact CD2-CG2 4.29Å; F22-V29 HydrophobicContact CE2-CG1 3.91Å; A25-V29 HydrophobicContact CB-CG2 3.76Å; P26-V29 HydrophobicContact CG-CG2 4.42Å; V29-V182 HydrophobicContact CG1-CG1 3.65Å
30	Q	88.6	Confident	93.2	Very high	134 Å²	134	58.8 Å²	58.8	63%	0.626	32%	0.323	S	S	*	.			trans	-113.1	129.8	178.1	-66.3	-177.4	-0.6	0	0	109.7	V182	Q30-V182 WeakPolarHBondContact O-CG1 3.36Å
31	A	93	Very high	93.9	Very high	48 Å²	48	53.7 Å²	53.7	40%	0.397	30%	0.296	S	S	.	.			trans	-57.1	141.4	173	0	0	0	0	0	110.6	H181	A31-H181 CarbonylContact C-O 3.5Å; A31-H181 WeakPolarHBondContact CA-O 3.46Å; A31-H181 HydrophobicContact CB-CB 4.26Å; A31-H181 WeakPolarHBondContact CB-O 3.21Å
32	V	94.5	Very high	94.4	Very high	15 Å²	15	49.8 Å²	49.8	9%	0.091	28%	0.278	C	S	.	.			trans	-83	147.8	173.1	-60.9	0	0	0	0	109.8	T37 I38 H181 V183 D261	V32-T37 VanDerWaalsContact CA-OG1 3.3Å; V32-T37 WeakPolarHBondContact CA-OG1 3.36Å; V32-I38 HydrophobicContact CB-CB 4.36Å; V32-I38 HydrophobicContact CB-CG2 3.92Å; V32-I38 HydrophobicContact CG2-CG2 4.08Å; V32-H181 PolarHBondContact N-O 3.09Å; V32-V183 HydrophobicContact CG1-CG2 4.4Å; V32-D261 HydrophobicContact CG2-CB 4.36Å; V32-D261 VanDerWaalsContact CG2-O 3.26Å; V32-D261 WeakPolarHBondContact CG2-O 3.39Å
33	A	95.7	Very high	94.5	Very high	16 Å²	16	48.5 Å²	48.5	13%	0.132	27%	0.272	C	S	.	.			trans	-125.3	125.8	173.1	0	0	0	0	0	109.2	K36 T37 I38 D261	A33-K36 HydrophobicContact CB-CB 4.03Å; A33-K36 HydrophobicContact CB-CD 4.08Å; A33-K36 HydrophobicContact CB-CG 4.46Å; A33-K36 PolarHBondContact O-N 3.37Å; A33-K36 VanDerWaalsContact O-N 3.13Å; A33-T37 PolarHBondContact N-OG1 3.03Å; A33-T37 PolarHBondContact O-N 2.87Å; A33-T37 PolarHBondContact O-OG1 3.22Å; A33-I38 PolarHBondContact O-N 3.03Å; A33-D261 WeakPolarHBondContact CA-OD2 3.44Å
34	L	95.8	Very high	94.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-57.2	140.3	-179.8	-169.7	65	0	0	0	110.1	K36 I38 Y40 M74 E75 D261	L34-K36 PolarHBondContact O-N 3.22Å; L34-I38 CarbonylContact C-O 3.51Å; L34-Y40 HydrophobicContact CD1-CD2 3.38Å; L34-Y40 HydrophobicContact CD1-CE2 4.04Å; L34-Y40 HydrophobicContact CD1-CG 3.84Å; L34-M74 HydrophobicContact CD1-CB 4.39Å; L34-M74 HydrophobicContact CD2-CB 4.03Å; L34-E75 WeakPolarHBondContact CD2-O 3.49Å; L34-D261 HydrophobicContact CB-CB 4.16Å; L34-D261 PolarHBondContact N-OD2 3.06Å
35	R	91.8	Very high	94.8	Very high	119 Å²	119	48.5 Å²	48.5	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-4.2	-175.9	-58.3	179	174.3	-162.4	-9.8	115.8	I38 R73 M74	R35-I38 PolarHBondContact N-O 3.4Å; R35-R73 PolarHBondContact NH2-O 3.17Å; R35-M74 VanDerWaalsContact CZ-O 3.23Å; R35-M74 PolarHBondContact NE-O 2.86Å; R35-M74 PolarHBondContact NH2-O 2.87Å
36	K	93.9	Very high	95	Very high	163 Å²	163	46.7 Å²	46.7	71%	0.709	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-56.3	178.1	-62.5	178.3	-172	167.8	0	111.9	A33 L34	A33-K36 HydrophobicContact CB-CB 4.03Å; A33-K36 HydrophobicContact CB-CD 4.08Å; A33-K36 HydrophobicContact CB-CG 4.46Å; A33-K36 PolarHBondContact O-N 3.37Å; A33-K36 VanDerWaalsContact O-N 3.13Å; L34-K36 PolarHBondContact O-N 3.22Å
37	T	94.6	Very high	95.3	Very high	48 Å²	48	45.2 Å²	45.2	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-18.2	-179.5	65.6	0	0	0	0	112.7	V32 A33	V32-T37 VanDerWaalsContact CA-OG1 3.3Å; V32-T37 WeakPolarHBondContact CA-OG1 3.36Å; A33-T37 PolarHBondContact N-OG1 3.03Å; A33-T37 PolarHBondContact O-N 2.87Å; A33-T37 PolarHBondContact O-OG1 3.22Å
38	I	95.8	Very high	95.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-141.2	142.5	178.7	-164.7	160.6	0	0	0	111	V32 A33 L34 R35 Y40 P109 Q110 I112 V183	V32-I38 HydrophobicContact CB-CB 4.36Å; V32-I38 HydrophobicContact CB-CG2 3.92Å; V32-I38 HydrophobicContact CG2-CG2 4.08Å; A33-I38 PolarHBondContact O-N 3.03Å; L34-I38 CarbonylContact C-O 3.51Å; R35-I38 PolarHBondContact N-O 3.4Å; I38-Y40 HydrophobicContact CD1-CD1 4.21Å; I38-Y40 HydrophobicContact CD1-CE1 3.23Å; I38-Y40 WeakPolarHBondContact CD1-OH 3.49Å; I38-Y40 HydrophobicContact CG1-CD1 4.03Å; I38-Y40 HydrophobicContact CG1-CE1 3.51Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 4.45Å; I38-P109 WeakPolarHBondContact CD1-O 3.44Å; I38-P109 WeakPolarHBondContact CG1-O 3.33Å; I38-Q110 CarbonylContact C-O 3.56Å; I38-Q110 WeakPolarHBondContact CA-O 3.35Å; I38-I112 HydrophobicContact CD1-CD1 4.44Å; I38-V183 HydrophobicContact CD1-CG2 3.32Å
39	T	97.8	Very high	96	Very high	34 Å²	34	43.2 Å²	43.2	21%	0.209	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.7	174.3	-60.8	0	0	0	0	109.4	I41 R73 Q110 W111 I112	T39-I41 HydrophobicContact CG2-CD1 3.78Å; T39-I41 HydrophobicContact CG2-CG1 4.28Å; T39-R73 HydrophobicContact CG2-CG 4.28Å; T39-Q110 PolarHBondContact N-O 2.95Å; T39-W111 WeakPolarHBondContact O-CA 3.36Å; T39-I112 PolarHBondContact O-N 2.94Å
40	Y	98.5	Very high	96.2	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.8	170	-60.8	-33.2	0	0	0	110.6	L34 I38 R73 M74 I112 F114 H252 D261 L263	L34-Y40 HydrophobicContact CD1-CD2 3.38Å; L34-Y40 HydrophobicContact CD1-CE2 4.04Å; L34-Y40 HydrophobicContact CD1-CG 3.84Å; I38-Y40 HydrophobicContact CD1-CD1 4.21Å; I38-Y40 HydrophobicContact CD1-CE1 3.23Å; I38-Y40 WeakPolarHBondContact CD1-OH 3.49Å; I38-Y40 HydrophobicContact CG1-CD1 4.03Å; I38-Y40 HydrophobicContact CG1-CE1 3.51Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 4.45Å; Y40-R73 WeakPolarHBondContact O-CA 3.43Å; Y40-M74 WeakPolarHBondContact CB-SD 3.33Å; Y40-M74 HydrophobicContact CD2-CE 4.39Å; Y40-M74 HydrophobicContact CD2-SD 3.8Å; Y40-M74 HydrophobicContact CG-SD 3.98Å; Y40-M74 PolarHBondContact O-N 3.19Å; Y40-I112 CarbonylContact C-O 3.05Å; Y40-I112 WeakPolarHBondContact CA-O 3.32Å; Y40-I112 HydrophobicContact CD1-CB 3.98Å; Y40-I112 HydrophobicContact CD1-CG1 4.49Å; Y40-I112 HydrophobicContact CE1-CB 4.22Å; Y40-I112 HydrophobicContact CE1-CD1 4.04Å; Y40-I112 HydrophobicContact CE1-CG1 4.31Å; Y40-F114 HydrophobicContact CD1-CE2 4.03Å; Y40-F114 HydrophobicContact CD1-CZ 4.39Å; Y40-F114 AromaticContact CG-CE2 3.97Å; Y40-F114 HydrophobicContact CG-CE2 3.97Å; Y40-H252 AromaticContact CD2-NE2 3.89Å; Y40-H252 AromaticContact CE2-CD2 3.72Å; Y40-H252 AromaticContact CE2-NE2 3.56Å; Y40-D261 WeakPolarHBondContact CE2-O 3.41Å; Y40-D261 PolarHBondContact OH-O 2.92Å; Y40-L263 HydrophobicContact CE1-CD2 4.44Å; Y40-L263 WeakPolarHBondContact OH-CB 3.45Å
41	I	98.6	Very high	96.5	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.108	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.4	175.7	-54.2	-60.7	0	0	0	108.2	T39 G72 R73 W111 I112 R113 F114	T39-I41 HydrophobicContact CG2-CD1 3.78Å; T39-I41 HydrophobicContact CG2-CG1 4.28Å; I41-G72 WeakPolarHBondContact CA-O 3.2Å; I41-R73 HydrophobicContact CD1-CB 4.24Å; I41-R73 HydrophobicContact CD1-CG 3.39Å; I41-W111 HydrophobicContact CB-CZ2 4.35Å; I41-W111 HydrophobicContact CG1-CZ2 3.7Å; I41-I112 PolarHBondContact N-O 3.01Å; I41-R113 HydrophobicContact CB-CB 3.94Å; I41-R113 HydrophobicContact CB-CG 3.98Å; I41-R113 HydrophobicContact CG2-CB 4.38Å; I41-R113 HydrophobicContact CG2-CG 3.89Å; I41-R113 CarbonylContact O-C 3.49Å; I41-R113 VanDerWaalsContact O-CA 3.27Å; I41-R113 WeakPolarHBondContact O-CA 3.48Å; I41-F114 PolarHBondContact O-N 2.96Å
42	V	98.8	Very high	96.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.4	167.8	-66	0	0	0	0	109.2	A71 G72 M74 I80 A83 M84 E87 F114 F116	V42-A71 WeakPolarHBondContact O-CA 3.3Å; V42-A71 WeakPolarHBondContact O-CB 3.35Å; V42-G72 PolarHBondContact N-O 3.44Å; V42-G72 PolarHBondContact O-N 2.81Å; V42-G72 VanDerWaalsContact O-N 3.15Å; V42-M74 HydrophobicContact CG1-CG 4.12Å; V42-M74 HydrophobicContact CG1-SD 4.5Å; V42-I80 HydrophobicContact CG1-CG2 3.91Å; V42-A83 HydrophobicContact CG1-CB 3.99Å; V42-A83 HydrophobicContact CG2-CB 3.98Å; V42-M84 HydrophobicContact CB-CB 4.15Å; V42-M84 HydrophobicContact CG1-CB 4.46Å; V42-M84 HydrophobicContact CG2-CB 4.32Å; V42-E87 HydrophobicContact CG2-CG 3.8Å; V42-F114 CarbonylContact C-O 3.42Å; V42-F114 WeakPolarHBondContact CA-O 3.4Å; V42-F114 HydrophobicContact CG1-CB 4.48Å; V42-F114 HydrophobicContact CG1-CD2 4.48Å; V42-F116 HydrophobicContact CG1-CE2 4.46Å
43	S	98.6	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.7	172.3	-178.8	0	0	0	0	109.5	P70 F114 F116	S43-P70 WeakPolarHBondContact CA-O 3.44Å; S43-F114 PolarHBondContact N-O 2.97Å; S43-F116 PolarHBondContact O-N 3Å
44	A	98.8	Very high	97.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125	178.9	0	0	0	0	0	110.7	I46 P70 M84 V88	A44-I46 HydrophobicContact CB-CD1 4.21Å; A44-I46 HydrophobicContact CB-CG1 4.29Å; A44-P70 PolarHBondContact N-O 3.21Å; A44-M84 HydrophobicContact CB-CG 4.14Å; A44-M84 HydrophobicContact CB-SD 4.12Å; A44-V88 HydrophobicContact CB-CG2 3.46Å; A44-V88 VanDerWaalsContact CB-CG2 3.46Å
45	V	98.9	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116	164	-172.4	0	0	0	0	107.7	F47 V53 L69 V115 F116 A118 L157 I158 A161	V45-F47 HydrophobicContact CG1-CD2 4.34Å; V45-F47 HydrophobicContact CG1-CE1 4.42Å; V45-F47 HydrophobicContact CG1-CE2 3.61Å; V45-F47 HydrophobicContact CG1-CZ 3.65Å; V45-V53 HydrophobicContact CG1-CG2 4.1Å; V45-L69 HydrophobicContact CG2-CD1 3.85Å; V45-L69 HydrophobicContact CG2-CD2 4.46Å; V45-V115 HydrophobicContact CG2-CG1 4.19Å; V45-F116 PolarHBondContact N-O 2.93Å; V45-A118 PolarHBondContact O-N 2.8Å; V45-L157 HydrophobicContact CG2-CB 4.38Å; V45-I158 HydrophobicContact CG1-CG1 4.41Å; V45-A161 HydrophobicContact CB-CB 3.72Å; V45-A161 HydrophobicContact CG1-CB 3.63Å; V45-A161 HydrophobicContact CG2-CB 3.98Å
46	I	98.9	Very high	97.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.4	-178.7	-62	172	0	0	0	107.5	A44 V53 L54 V88 C96 A118 I120 W140	A44-I46 HydrophobicContact CB-CD1 4.21Å; A44-I46 HydrophobicContact CB-CG1 4.29Å; I46-V53 WeakPolarHBondContact O-CA 3.41Å; I46-L54 HydrophobicContact CB-CB 4.08Å; I46-L54 HydrophobicContact CB-CD2 4.39Å; I46-L54 HydrophobicContact CD1-CD2 4.03Å; I46-L54 PolarHBondContact O-N 3.39Å; I46-V88 HydrophobicContact CD1-CG1 3.89Å; I46-V88 HydrophobicContact CD1-CG2 4.08Å; I46-C96 HydrophobicContact CD1-CB 4.32Å; I46-A118 HydrophobicContact CD1-CB 4.23Å; I46-A118 HydrophobicContact CG1-CB 3.83Å; I46-I120 HydrophobicContact CG2-CD1 4.08Å; I46-I120 HydrophobicContact CG2-CG1 3.88Å; I46-W140 HydrophobicContact CG2-CH2 3.91Å; I46-W140 HydrophobicContact CG2-CZ3 4.26Å
47	F	98.6	Very high	97.8	Very high	22 Å²	22	31.3 Å²	31.3	10%	0.096	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-114.2	143.3	176	-61.2	-81.3	0	0	0	110.4	V45 E52 V53 L117 I158 A161 L162	V45-F47 HydrophobicContact CG1-CD2 4.34Å; V45-F47 HydrophobicContact CG1-CE1 4.42Å; V45-F47 HydrophobicContact CG1-CE2 3.61Å; V45-F47 HydrophobicContact CG1-CZ 3.65Å; F47-E52 VanDerWaalsContact CA-O 3.28Å; F47-E52 WeakPolarHBondContact CA-O 3.39Å; F47-V53 HydrophobicContact CD1-CB 4.24Å; F47-V53 HydrophobicContact CE1-CB 4.17Å; F47-V53 HydrophobicContact CE1-CG2 4.46Å; F47-L117 HydrophobicContact CD2-CD1 3.96Å; F47-L117 HydrophobicContact CE2-CD1 4.02Å; F47-I158 HydrophobicContact CE1-CG2 4.13Å; F47-I158 HydrophobicContact CZ-CG2 4.12Å; F47-A161 HydrophobicContact CE2-CB 4.11Å; F47-A161 HydrophobicContact CZ-CB 4.48Å; F47-L162 HydrophobicContact CE1-CD1 4.49Å; F47-L162 HydrophobicContact CZ-CB 4.01Å; F47-L162 HydrophobicContact CZ-CD1 4.33Å
48	N	97.6	Very high	98	Very high	29 Å²	29	29.1 Å²	29.1	16%	0.155	14%	0.14	C	C	.	.			trans	-85	-176.4	166.9	71.2	13.6	0	0	0	111.6	K50 N51 E52 W140	N48-K50 PolarHBondContact O-N 3.37Å; N48-K50 WeakPolarHBondContact OD1-CA 3.46Å; N48-K50 WeakPolarHBondContact OD1-CB 3.44Å; N48-K50 PolarHBondContact OD1-N 2.99Å; N48-N51 PolarHBondContact O-N 3.04Å; N48-N51 VanDerWaalsContact O-N 3.12Å; N48-N51 PolarHBondContact OD1-N 3.46Å; N48-E52 PolarHBondContact N-O 3.49Å; N48-E52 PolarHBondContact ND2-OE2 2.62Å; N48-E52 PolarHBondContact OD1-N 3.4Å; N48-W140 HydrophobicContact CB-CD2 3.88Å; N48-W140 HydrophobicContact CB-CE3 3.73Å; N48-W140 HydrophobicContact CB-CH2 3.83Å; N48-W140 HydrophobicContact CB-CZ2 3.97Å; N48-W140 HydrophobicContact CB-CZ3 3.71Å; N48-W140 VanDerWaalsContact N-CZ3 3.32Å
49	E	95.5	Very high	98	Very high	193 Å²	193	30.2 Å²	30.2	90%	0.902	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.3	178.7	-62.3	-177.9	169.7	0	0	113.4	N51	E49-N51 VanDerWaalsContact C-N 3.32Å
50	K	96.4	Very high	97.8	Very high	156 Å²	156	32.5 Å²	32.5	68%	0.678	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	4	177.4	-59.9	178.8	-178.2	175.2	0	113.5	N48 E52	N48-K50 PolarHBondContact O-N 3.37Å; N48-K50 WeakPolarHBondContact OD1-CA 3.46Å; N48-K50 WeakPolarHBondContact OD1-CB 3.44Å; N48-K50 PolarHBondContact OD1-N 2.99Å; K50-E52 HydrophobicContact CB-CG 4.06Å; K50-E52 PolarHBondContact O-N 2.92Å
51	N	95.1	Very high	97.4	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.444	20%	0.198	S	C	.	.	S	Bend	trans	63	19.1	-172	-58.7	-49.5	0	0	0	114.9	N48 E49 Q143 R165	N48-N51 PolarHBondContact O-N 3.04Å; N48-N51 VanDerWaalsContact O-N 3.12Å; N48-N51 PolarHBondContact OD1-N 3.46Å; E49-N51 VanDerWaalsContact C-N 3.32Å; N51-Q143 PolarHBondContact O-NE2 2.91Å; N51-R165 PolarHBondContact OD1-NH1 3.41Å
52	E	98.4	Very high	97.1	Very high	47 Å²	47	46.8 Å²	46.8	22%	0.22	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-77.2	143	168.6	-57.9	162.2	164.7	0	0	108.4	F47 N48 K50 W140 W141 D142	F47-E52 VanDerWaalsContact CA-O 3.28Å; F47-E52 WeakPolarHBondContact CA-O 3.39Å; N48-E52 PolarHBondContact N-O 3.49Å; N48-E52 PolarHBondContact ND2-OE2 2.62Å; N48-E52 PolarHBondContact OD1-N 3.4Å; K50-E52 HydrophobicContact CB-CG 4.06Å; K50-E52 PolarHBondContact O-N 2.92Å; E52-W140 HydrophobicContact CB-CB 3.82Å; E52-W140 WeakPolarHBondContact OE2-CB 3.34Å; E52-W141 CarbonylContact C-O 3.57Å; E52-W141 WeakPolarHBondContact CA-O 3.42Å; E52-W141 WeakPolarHBondContact CB-O 3.29Å; E52-D142 HydrophobicContact CG-CB 4.33Å
53	V	98.6	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.6	-178.9	64.1	0	0	0	0	111	V45 I46 F47 M55 L69 W140 W141 Q143 I158	V45-V53 HydrophobicContact CG1-CG2 4.1Å; I46-V53 WeakPolarHBondContact O-CA 3.41Å; F47-V53 HydrophobicContact CD1-CB 4.24Å; F47-V53 HydrophobicContact CE1-CB 4.17Å; F47-V53 HydrophobicContact CE1-CG2 4.46Å; V53-M55 HydrophobicContact CG1-CG 4.08Å; V53-M55 HydrophobicContact CG1-SD 3.89Å; V53-M55 PolarHBondContact O-N 2.86Å; V53-L69 HydrophobicContact CG2-CD2 3.83Å; V53-W140 WeakPolarHBondContact O-CA 3.2Å; V53-W141 HydrophobicContact CG1-CB 4.03Å; V53-W141 HydrophobicContact CG1-CD2 4.41Å; V53-W141 HydrophobicContact CG1-CE3 3.71Å; V53-W141 PolarHBondContact N-O 2.9Å; V53-W141 PolarHBondContact O-N 2.87Å; V53-Q143 HydrophobicContact CG1-CG 4.09Å; V53-I158 HydrophobicContact CG1-CD1 4.2Å; V53-I158 HydrophobicContact CG2-CD1 4.35Å; V53-I158 HydrophobicContact CG2-CG1 4.21Å
54	L	98.9	Very high	96.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.1	174.2	-176.2	62.4	0	0	0	110.4	I46 P70 A92 F94 L125 A138 W140	I46-L54 HydrophobicContact CB-CB 4.08Å; I46-L54 HydrophobicContact CB-CD2 4.39Å; I46-L54 HydrophobicContact CD1-CD2 4.03Å; I46-L54 PolarHBondContact O-N 3.39Å; L54-P70 HydrophobicContact CD2-CG 3.98Å; L54-P70 HydrophobicContact CG-CG 4.15Å; L54-A92 HydrophobicContact CD1-CB 4.3Å; L54-A92 HydrophobicContact CD2-CB 3.81Å; L54-A92 HydrophobicContact CG-CB 4.3Å; L54-F94 HydrophobicContact CD1-CD2 4.26Å; L54-F94 HydrophobicContact CD1-CE2 3.93Å; L54-F94 HydrophobicContact CD2-CD2 3.89Å; L54-F94 HydrophobicContact CD2-CE2 4.34Å; L54-L125 HydrophobicContact CD1-CD1 3.8Å; L54-A138 HydrophobicContact CD1-CB 4.15Å; L54-W140 HydrophobicContact CB-CE3 4.12Å; L54-W140 HydrophobicContact CB-CH2 4.09Å; L54-W140 HydrophobicContact CB-CZ3 3.68Å; L54-W140 HydrophobicContact CD1-CH2 4.48Å; L54-W140 HydrophobicContact CD1-CZ2 4.44Å
55	M	98.8	Very high	96.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.6	178.5	-61.2	-59.8	-66.6	0	0	109.8	V53 W67 Y68 L69 A138 Q139 W141 L147 L149 I154	V53-M55 HydrophobicContact CG1-CG 4.08Å; V53-M55 HydrophobicContact CG1-SD 3.89Å; V53-M55 PolarHBondContact O-N 2.86Å; M55-W67 HydrophobicContact CB-CE3 3.73Å; M55-W67 HydrophobicContact CB-CZ3 4.26Å; M55-W67 HydrophobicContact CE-CB 4.17Å; M55-Y68 WeakPolarHBondContact CA-O 3.49Å; M55-Y68 VanDerWaalsContact CE-C 3.48Å; M55-Y68 WeakPolarHBondContact CE-O 3.43Å; M55-L69 HydrophobicContact SD-CD2 4.03Å; M55-A138 CarbonylContact O-C 3.56Å; M55-A138 WeakPolarHBondContact O-CA 2.66Å; M55-A138 WeakPolarHBondContact O-CB 3.43Å; M55-Q139 HydrophobicContact CB-CG 4.38Å; M55-Q139 PolarHBondContact N-O 2.97Å; M55-Q139 PolarHBondContact O-N 3.02Å; M55-W141 HydrophobicContact CB-CB 4.46Å; M55-W141 HydrophobicContact CE-CE3 4.19Å; M55-W141 HydrophobicContact CG-CB 3.5Å; M55-W141 VanDerWaalsContact CG-CB 3.5Å; M55-W141 HydrophobicContact CG-CD2 4.35Å; M55-W141 HydrophobicContact CG-CE3 4Å; M55-W141 HydrophobicContact CG-CG 4.22Å; M55-W141 HydrophobicContact SD-CE3 3.89Å; M55-L147 HydrophobicContact CG-CD1 4.34Å; M55-L149 HydrophobicContact CE-CD2 4.02Å; M55-I154 HydrophobicContact CE-CD1 3.61Å
56	V	98.7	Very high	96.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.4	175.2	-61.2	0	0	0	0	110.1	W67 Y68 P70 E91 A92 A138	V56-W67 VanDerWaalsContact C-CE3 3.43Å; V56-W67 WeakPolarHBondContact O-CA 3.34Å; V56-Y68 PolarHBondContact N-O 3.4Å; V56-Y68 PolarHBondContact O-N 3.21Å; V56-P70 HydrophobicContact CG1-CB 4.37Å; V56-P70 HydrophobicContact CG1-CG 3.91Å; V56-E91 HydrophobicContact CB-CB 4.26Å; V56-E91 HydrophobicContact CG1-CB 3.83Å; V56-E91 WeakPolarHBondContact CG1-O 3.47Å; V56-E91 HydrophobicContact CG2-CB 4.37Å; V56-A92 HydrophobicContact CG1-CB 3.86Å; V56-A138 HydrophobicContact CG1-CB 4.13Å
57	Q	98.5	Very high	96.4	Very high	18 Å²	18	61.9 Å²	61.9	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.9	178.2	-168.6	173.9	41.4	0	0	110.5	K65 Q66 W67 S135 L136 Q137	Q57-K65 PolarHBondContact NE2-O 3.4Å; Q57-Q66 WeakPolarHBondContact CA-O 3.32Å; Q57-W67 HydrophobicContact CB-CD2 3.98Å; Q57-W67 HydrophobicContact CB-CE3 3.9Å; Q57-W67 HydrophobicContact CB-CH2 3.79Å; Q57-W67 HydrophobicContact CB-CZ2 3.84Å; Q57-W67 HydrophobicContact CB-CZ3 3.8Å; Q57-W67 HydrophobicContact CG-CD2 4.28Å; Q57-W67 HydrophobicContact CG-CZ2 4.11Å; Q57-S135 WeakPolarHBondContact O-CA 3.36Å; Q57-L136 HydrophobicContact CB-CB 4.3Å; Q57-L136 HydrophobicContact CG-CB 4.4Å; Q57-L136 HydrophobicContact CG-CD1 4.23Å; Q57-L136 PolarHBondContact O-N 2.86Å; Q57-Q137 HydrophobicContact CB-CG 3.92Å; Q57-Q137 PolarHBondContact N-O 3.33Å
58	E	97.8	Very high	96.4	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.7	-173	-66.5	-83.9	-170.7	0	0	112.8	C63 K65 Q66 R150	E58-C63 HydrophobicContact CB-CB 4.42Å; E58-C63 VanDerWaalsContact CB-O 3.25Å; E58-C63 WeakPolarHBondContact CB-O 3.03Å; E58-C63 HydrophobicContact CG-CB 4.41Å; E58-K65 PolarHBondContact O-N 3.12Å; E58-Q66 WeakPolarHBondContact CB-O 2.97Å; E58-Q66 WeakPolarHBondContact CG-O 3.31Å; E58-Q66 PolarHBondContact N-O 2.94Å; E58-R150 WeakPolarHBondContact OE1-CD 3.16Å; E58-R150 IonicContact OE1-CZ 2.65Å; E58-R150 IonicContact OE1-NE 3.78Å; E58-R150 IonicContact OE1-NH1 3.63Å; E58-R150 PolarHBondContact OE1-NH1 2.62Å; E58-R150 IonicContact OE2-NH1 2.73Å
59	A	96.3	Very high	96.5	Very high	23 Å²	23	60.4 Å²	60.4	19%	0.19	28%	0.282	C	S	.	.			trans	-94	-11.4	173.3	0	0	0	0	0	113.4	Y64 D132 L136	A59-Y64 WeakPolarHBondContact O-CD2 3.46Å; A59-D132 WeakPolarHBondContact CB-O 3.3Å; A59-L136 HydrophobicContact CB-CD2 3.92Å; A59-L136 HydrophobicContact CB-CG 4.12Å
60	K	92.7	Very high	96.7	Very high	83 Å²	83	51.2 Å²	51.2	36%	0.361	24%	0.239	S	C	.	.	S	Bend	trans	-73.8	138	-177.1	-66.7	165.3	-174.6	143.9	0	111.7	N62 C63 Y64	K60-N62 VanDerWaalsContact C-N 3.33Å; K60-N62 PolarHBondContact O-N 3.39Å; K60-C63 CarbonylContact O-C 3.49Å; K60-C63 PolarHBondContact O-N 3.19Å; K60-C63 VanDerWaalsContact O-N 3.11Å; K60-Y64 WeakPolarHBondContact O-CA 3.45Å; K60-Y64 WeakPolarHBondContact O-CB 3.39Å; K60-Y64 PolarHBondContact O-N 3.24Å
61	E	90.3	Very high	96.7	Very high	189 Å²	189	44.3 Å²	44.3	88%	0.883	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-55.2	-42	-172	-171.9	177.9	-173.9	0	0	113.9	C63	E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.21Å
62	N	92.2	Very high	96.9	Very high	132 Å²	132	40.9 Å²	40.9	71%	0.706	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-70.2	-18.5	-177.3	64	-29.6	0	0	0	114.6	K60	K60-N62 VanDerWaalsContact C-N 3.33Å; K60-N62 PolarHBondContact O-N 3.39Å
63	C	92.3	Very high	96.9	Very high	4 Å²	4	46 Å²	46	3%	0.027	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-135.3	27.5	178.2	51.6	0	0	0	0	111.6	E58 K60 E61 K65 Q66 R150	E58-C63 HydrophobicContact CB-CB 4.42Å; E58-C63 VanDerWaalsContact CB-O 3.25Å; E58-C63 WeakPolarHBondContact CB-O 3.03Å; E58-C63 HydrophobicContact CG-CB 4.41Å; K60-C63 CarbonylContact O-C 3.49Å; K60-C63 PolarHBondContact O-N 3.19Å; K60-C63 VanDerWaalsContact O-N 3.11Å; E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.21Å; C63-K65 PolarHBondContact O-N 3.5Å; C63-Q66 HydrophobicContact CB-CB 4.45Å; C63-Q66 WeakPolarHBondContact O-CB 3.47Å; C63-Q66 WeakPolarHBondContact O-CG 3.36Å; C63-Q66 PolarHBondContact O-N 2.74Å; C63-R150 HydrophobicContact CB-CG 3.83Å
64	Y	95.7	Very high	96.9	Very high	126 Å²	126	46.1 Å²	46.1	49%	0.494	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	132.3	-169.9	-174.4	-115	0	0	0	111.5	A59 K60 Q66 L136	A59-Y64 WeakPolarHBondContact O-CD2 3.46Å; K60-Y64 WeakPolarHBondContact O-CA 3.45Å; K60-Y64 WeakPolarHBondContact O-CB 3.39Å; K60-Y64 PolarHBondContact O-N 3.24Å; Y64-Q66 PolarHBondContact O-N 3.24Å; Y64-Q66 VanDerWaalsContact O-N 3.14Å; Y64-L136 HydrophobicContact CD2-CD1 4.41Å; Y64-L136 HydrophobicContact CE2-CD1 3.82Å; Y64-L136 HydrophobicContact CE2-CD2 4.12Å; Y64-L136 HydrophobicContact CE2-CG 4.43Å
65	K	96.6	Very high	96.8	Very high	116 Å²	116	50 Å²	50	50%	0.504	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	2.5	-176.8	-66	177.3	172	-178.5	0	116.1	Q57 E58 C63 L136	Q57-K65 PolarHBondContact NE2-O 3.4Å; E58-K65 PolarHBondContact O-N 3.12Å; C63-K65 PolarHBondContact O-N 3.5Å; K65-L136 HydrophobicContact CG-CD1 3.72Å
66	Q	98	Very high	96.7	Very high	58 Å²	58	54.6 Å²	54.6	27%	0.271	25%	0.253	S	S	.	.			trans	-76.4	156	171.6	-58.5	-177.9	-33	0	0	110.6	Q57 E58 C63 Y64 T148 R150	Q57-Q66 WeakPolarHBondContact CA-O 3.32Å; E58-Q66 WeakPolarHBondContact CB-O 2.97Å; E58-Q66 WeakPolarHBondContact CG-O 3.31Å; E58-Q66 PolarHBondContact N-O 2.94Å; C63-Q66 HydrophobicContact CB-CB 4.45Å; C63-Q66 WeakPolarHBondContact O-CB 3.47Å; C63-Q66 WeakPolarHBondContact O-CG 3.36Å; C63-Q66 PolarHBondContact O-N 2.74Å; Y64-Q66 PolarHBondContact O-N 3.24Å; Y64-Q66 VanDerWaalsContact O-N 3.14Å; Q66-T148 CarbonylContact C-O 3.59Å; Q66-T148 WeakPolarHBondContact CA-O 3.32Å; Q66-T148 HydrophobicContact CG-CG2 4.29Å; Q66-R150 HydrophobicContact CB-CB 3.79Å
67	W	98.6	Very high	96.5	Very high	17 Å²	17	56.2 Å²	56.2	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.5	-176.9	-68.3	86.8	0	0	0	111.9	M55 V56 Q57 Q137 Q139 L147 T148 L149 R150	M55-W67 HydrophobicContact CB-CE3 3.73Å; M55-W67 HydrophobicContact CB-CZ3 4.26Å; M55-W67 HydrophobicContact CE-CB 4.17Å; V56-W67 VanDerWaalsContact C-CE3 3.43Å; V56-W67 WeakPolarHBondContact O-CA 3.34Å; Q57-W67 HydrophobicContact CB-CD2 3.98Å; Q57-W67 HydrophobicContact CB-CE3 3.9Å; Q57-W67 HydrophobicContact CB-CH2 3.79Å; Q57-W67 HydrophobicContact CB-CZ2 3.84Å; Q57-W67 HydrophobicContact CB-CZ3 3.8Å; Q57-W67 HydrophobicContact CG-CD2 4.28Å; Q57-W67 HydrophobicContact CG-CZ2 4.11Å; W67-Q137 HydrophobicContact CH2-CG 3.83Å; W67-Q137 HydrophobicContact CZ2-CG 4.42Å; W67-Q139 VanDerWaalsContact CE2-NE2 3.29Å; W67-Q139 HydrophobicContact CE3-CG 4.08Å; W67-Q139 HydrophobicContact CH2-CB 3.9Å; W67-Q139 HydrophobicContact CH2-CG 3.52Å; W67-Q139 VanDerWaalsContact CH2-NE2 3.25Å; W67-Q139 HydrophobicContact CZ2-CG 4.31Å; W67-Q139 HydrophobicContact CZ3-CB 3.99Å; W67-Q139 HydrophobicContact CZ3-CG 3.4Å; W67-L147 HydrophobicContact CB-CB 4.37Å; W67-L147 HydrophobicContact CB-CD1 4.24Å; W67-L147 HydrophobicContact CD2-CD1 4.28Å; W67-L147 HydrophobicContact CD2-CD2 4.48Å; W67-L147 HydrophobicContact CG-CB 4.29Å; W67-L147 HydrophobicContact CG-CD1 4.07Å; W67-L147 HydrophobicContact CG-CD2 4.36Å; W67-L147 HydrophobicContact CG-CG 4.49Å; W67-T148 PolarHBondContact N-O 2.68Å; W67-L149 HydrophobicContact CB-CD2 4.23Å; W67-L149 CarbonylContact O-C 3.57Å; W67-L149 WeakPolarHBondContact O-CA 3.23Å; W67-R150 PolarHBondContact O-N 3.06Å
68	Y	98.6	Very high	96.4	Very high	18 Å²	18	56.4 Å²	56.4	7%	0.071	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.4	177.7	-149	-116.1	0	0	0	111.5	M55 V56 A71 R113 R150 D153 I154	M55-Y68 WeakPolarHBondContact CA-O 3.49Å; M55-Y68 VanDerWaalsContact CE-C 3.48Å; M55-Y68 WeakPolarHBondContact CE-O 3.43Å; V56-Y68 PolarHBondContact N-O 3.4Å; V56-Y68 PolarHBondContact O-N 3.21Å; Y68-A71 HydrophobicContact CD1-CB 4.27Å; Y68-A71 HydrophobicContact CE1-CB 4.25Å; Y68-R113 PolarHBondContact OH-NH1 2.91Å; Y68-R150 HydrophobicContact CD2-CB 3.8Å; Y68-R150 HydrophobicContact CD2-CG 4.28Å; Y68-R150 HydrophobicContact CG-CB 4.34Å; Y68-D153 WeakPolarHBondContact CE2-OD1 3.48Å; Y68-D153 VanDerWaalsContact OH-CG 3.23Å; Y68-D153 PolarHBondContact OH-OD1 2.96Å; Y68-D153 PolarHBondContact OH-OD2 3.18Å; Y68-I154 HydrophobicContact CD1-CG2 4.24Å; Y68-I154 HydrophobicContact CD2-CD1 4.21Å; Y68-I154 HydrophobicContact CD2-CG2 3.6Å; Y68-I154 HydrophobicContact CE1-CG2 3.81Å; Y68-I154 HydrophobicContact CE2-CB 4.42Å; Y68-I154 HydrophobicContact CE2-CG2 3.14Å; Y68-I154 HydrophobicContact CG-CG2 4.14Å
69	L	98.7	Very high	96.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.277	C	S	.	.			trans	-71	151.1	166.7	-68.6	172	0	0	0	109.3	V45 V53 M55 A71 I154 L157 I158	V45-L69 HydrophobicContact CG2-CD1 3.85Å; V45-L69 HydrophobicContact CG2-CD2 4.46Å; V53-L69 HydrophobicContact CG2-CD2 3.83Å; M55-L69 HydrophobicContact SD-CD2 4.03Å; L69-A71 WeakPolarHBondContact O-CB 3.28Å; L69-A71 PolarHBondContact O-N 2.95Å; L69-I154 HydrophobicContact CB-CG2 4.43Å; L69-I154 HydrophobicContact CD1-CB 3.83Å; L69-I154 HydrophobicContact CD1-CG2 3.86Å; L69-I154 HydrophobicContact CG-CB 4Å; L69-I154 HydrophobicContact CG-CG2 3.96Å; L69-L157 HydrophobicContact CD1-CB 4.04Å; L69-L157 HydrophobicContact CD1-CD1 4.1Å; L69-I158 HydrophobicContact CD1-CG1 4.27Å; L69-I158 HydrophobicContact CD2-CD1 4.17Å; L69-I158 HydrophobicContact CD2-CG1 4.01Å
70	P	98.7	Very high	96.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	27%	0.268	C	S	.	.	S	Bend	trans	-53.4	117.3	167.3	-19.7	27.8	0	0	0	110	S43 A44 L54 V56 V88 E91	S43-P70 WeakPolarHBondContact CA-O 3.44Å; A44-P70 PolarHBondContact N-O 3.21Å; L54-P70 HydrophobicContact CD2-CG 3.98Å; L54-P70 HydrophobicContact CG-CG 4.15Å; V56-P70 HydrophobicContact CG1-CB 4.37Å; V56-P70 HydrophobicContact CG1-CG 3.91Å; P70-V88 HydrophobicContact CB-CG2 3.93Å; P70-E91 WeakPolarHBondContact CA-OE2 3.32Å
71	A	98.4	Very high	96.7	Very high	11 Å²	11	53.9 Å²	53.9	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	133.4	-171	0	0	0	0	0	113.3	V42 Y68 L69 E91	V42-A71 WeakPolarHBondContact O-CA 3.3Å; V42-A71 WeakPolarHBondContact O-CB 3.35Å; Y68-A71 HydrophobicContact CD1-CB 4.27Å; Y68-A71 HydrophobicContact CE1-CB 4.25Å; L69-A71 WeakPolarHBondContact O-CB 3.28Å; L69-A71 PolarHBondContact O-N 2.95Å; A71-E91 PolarHBondContact N-OE2 3.07Å
72	G	97.8	Very high	97.1	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-174.3	176.2	0	0	0	0	0	114.2	I41 V42 E87	I41-G72 WeakPolarHBondContact CA-O 3.2Å; V42-G72 PolarHBondContact N-O 3.44Å; V42-G72 PolarHBondContact O-N 2.81Å; V42-G72 VanDerWaalsContact O-N 3.15Å; G72-E87 WeakPolarHBondContact CA-OE1 3.45Å; G72-E87 WeakPolarHBondContact CA-OE2 3.37Å
73	R	98.3	Very high	97.4	Very high	155 Å²	155	42.4 Å²	42.4	59%	0.585	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.1	-175	-72.7	174.1	-178.3	-173.7	1.6	108.9	R35 T39 Y40 I41 R86 E87	R35-R73 PolarHBondContact NH2-O 3.17Å; T39-R73 HydrophobicContact CG2-CG 4.28Å; Y40-R73 WeakPolarHBondContact O-CA 3.43Å; I41-R73 HydrophobicContact CD1-CB 4.24Å; I41-R73 HydrophobicContact CD1-CG 3.39Å; R73-R86 PolarHBondContact O-NH2 3.12Å; R73-E87 PolarHBondContact N-OE1 3Å
74	M	98.3	Very high	97.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-57.9	143.6	168.7	-66.4	-174.9	55.6	0	0	111.4	L34 R35 Y40 V42 E78 I80 A83 F114 H252	L34-M74 HydrophobicContact CD1-CB 4.39Å; L34-M74 HydrophobicContact CD2-CB 4.03Å; R35-M74 VanDerWaalsContact CZ-O 3.23Å; R35-M74 PolarHBondContact NE-O 2.86Å; R35-M74 PolarHBondContact NH2-O 2.87Å; Y40-M74 WeakPolarHBondContact CB-SD 3.33Å; Y40-M74 HydrophobicContact CD2-CE 4.39Å; Y40-M74 HydrophobicContact CD2-SD 3.8Å; Y40-M74 HydrophobicContact CG-SD 3.98Å; Y40-M74 PolarHBondContact O-N 3.19Å; V42-M74 HydrophobicContact CG1-CG 4.12Å; V42-M74 HydrophobicContact CG1-SD 4.5Å; M74-E78 WeakPolarHBondContact CA-OE1 3.41Å; M74-I80 HydrophobicContact CE-CB 4.37Å; M74-I80 HydrophobicContact CE-CG1 3.83Å; M74-I80 HydrophobicContact SD-CB 4.22Å; M74-I80 HydrophobicContact SD-CG1 3.67Å; M74-A83 HydrophobicContact CB-CB 4.33Å; M74-A83 HydrophobicContact CG-CB 3.66Å; M74-F114 HydrophobicContact SD-CE2 4.37Å; M74-H252 VanDerWaalsContact CE-CE1 3.47Å; M74-H252 WeakPolarHBondContact CE-CE1 3.35Å
75	E	97.5	Very high	97.8	Very high	83 Å²	83	42.2 Å²	42.2	39%	0.388	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-93.4	158.8	172.7	-72.6	-172.6	169	0	0	112.1	L34 G77 E78 R86	L34-E75 WeakPolarHBondContact CD2-O 3.49Å; E75-G77 PolarHBondContact O-N 3.17Å; E75-E78 HydrophobicContact CB-CG 4.25Å; E75-E78 PolarHBondContact N-OE1 2.93Å; E75-E78 WeakPolarHBondContact O-CG 3.2Å; E75-R86 IonicContact OE2-NE 3.4Å
76	E	96.4	Very high	97.9	Very high	96 Å²	96	38.5 Å²	38.5	45%	0.449	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	133.9	174.5	-71.7	-175.9	176.2	0	0	109.6	P257	E76-P257 HydrophobicContact CB-CB 4.28Å; E76-P257 HydrophobicContact CB-CG 3.89Å; E76-P257 HydrophobicContact CG-CB 4.26Å; E76-P257 HydrophobicContact CG-CG 4.41Å
77	G	95.3	Very high	98	Very high	35 Å²	35	36.2 Å²	36.2	36%	0.361	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-9.6	176.6	0	0	0	0	0	115.6	E75 G254	E75-G77 PolarHBondContact O-N 3.17Å; G77-G254 VanDerWaalsContact CA-O 3.31Å; G77-G254 WeakPolarHBondContact CA-O 3.41Å; G77-G254 PolarHBondContact N-O 2.99Å
78	E	96.3	Very high	98	Very high	21 Å²	21	35.4 Å²	35.4	10%	0.098	17%	0.17	C	C	.	.			trans	-100.3	153.5	177.7	77	-176.2	176.9	0	0	113.1	M74 E75 E82 A83 R86	M74-E78 WeakPolarHBondContact CA-OE1 3.41Å; E75-E78 HydrophobicContact CB-CG 4.25Å; E75-E78 PolarHBondContact N-OE1 2.93Å; E75-E78 WeakPolarHBondContact O-CG 3.2Å; E78-E82 HydrophobicContact CB-CB 4.05Å; E78-A83 VanDerWaalsContact CD-CA 3.44Å; E78-A83 VanDerWaalsContact CD-CB 3.46Å; E78-A83 HydrophobicContact CG-CB 4.04Å; E78-A83 WeakPolarHBondContact OE1-CA 3.4Å; E78-A83 WeakPolarHBondContact OE1-CB 3.39Å; E78-A83 WeakPolarHBondContact OE2-CA 3.47Å; E78-R86 IonicContact OE1-CZ 3.23Å; E78-R86 IonicContact OE1-NE 3.46Å; E78-R86 IonicContact OE1-NH2 3.06Å; E78-R86 PolarHBondContact OE1-NH2 3.35Å; E78-R86 IonicContact OE2-CZ 2.71Å; E78-R86 IonicContact OE2-NE 2.6Å; E78-R86 PolarHBondContact OE2-NE 3.19Å; E78-R86 IonicContact OE2-NH2 2.77Å
79	S	96.8	Very high	98	Very high	21 Å²	21	38.6 Å²	38.6	15%	0.147	18%	0.184	C	C	.	.			trans	-78.4	162.8	167.8	66.4	0	0	0	0	111.5	V81 E82 A83	S79-V81 PolarHBondContact O-N 3.07Å; S79-E82 WeakPolarHBondContact CB-OE2 3.36Å; S79-E82 PolarHBondContact N-OE2 2.87Å; S79-E82 PolarHBondContact O-N 2.94Å; S79-E82 WeakPolarHBondContact OG-CB 3.22Å; S79-E82 VanDerWaalsContact OG-CG 3.26Å; S79-E82 WeakPolarHBondContact OG-CG 3.49Å; S79-E82 PolarHBondContact OG-N 3.31Å; S79-E82 VanDerWaalsContact OG-N 3.17Å; S79-E82 PolarHBondContact OG-OE2 2.84Å; S79-A83 PolarHBondContact O-N 2.83Å
80	I	98.1	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.1	-37.2	176	-60	169.2	0	0	0	111.1	V42 M74 M84 F114 F116 P175 L250 H252 L263	V42-I80 HydrophobicContact CG1-CG2 3.91Å; M74-I80 HydrophobicContact CE-CB 4.37Å; M74-I80 HydrophobicContact CE-CG1 3.83Å; M74-I80 HydrophobicContact SD-CB 4.22Å; M74-I80 HydrophobicContact SD-CG1 3.67Å; I80-M84 PolarHBondContact O-N 3.42Å; I80-F114 HydrophobicContact CD1-CD1 4.39Å; I80-F114 HydrophobicContact CD1-CD2 4.2Å; I80-F114 HydrophobicContact CD1-CE1 4.01Å; I80-F114 HydrophobicContact CD1-CE2 3.78Å; I80-F114 HydrophobicContact CD1-CG 4.48Å; I80-F114 HydrophobicContact CD1-CZ 3.67Å; I80-F114 HydrophobicContact CG1-CD2 4.28Å; I80-F114 HydrophobicContact CG1-CE2 4.05Å; I80-F114 HydrophobicContact CG1-CZ 4.44Å; I80-F114 HydrophobicContact CG2-CB 3.99Å; I80-F114 HydrophobicContact CG2-CD2 3.73Å; I80-F114 HydrophobicContact CG2-CE2 4.34Å; I80-F114 HydrophobicContact CG2-CG 3.83Å; I80-F116 HydrophobicContact CG2-CE2 3.66Å; I80-F116 HydrophobicContact CG2-CZ 3.65Å; I80-P175 HydrophobicContact CB-CB 4.48Å; I80-P175 HydrophobicContact CB-CG 4.09Å; I80-P175 HydrophobicContact CD1-CB 4.2Å; I80-P175 HydrophobicContact CD1-CG 4.2Å; I80-P175 HydrophobicContact CG2-CG 4.16Å; I80-L250 HydrophobicContact CD1-CD1 3.82Å; I80-H252 HydrophobicContact CD1-CB 3.59Å; I80-H252 HydrophobicContact CG1-CB 4.22Å; I80-L263 HydrophobicContact CD1-CD1 4.3Å
81	V	98.1	Very high	98	Very high	35 Å²	35	41.7 Å²	41.7	21%	0.212	20%	0.199	C	C	.	.	H	α-helix	trans	-75.4	-39.1	-179.5	176.3	0	0	0	0	111.6	S79 A83 M84 R85 P98 F116 P175	S79-V81 PolarHBondContact O-N 3.07Å; V81-A83 VanDerWaalsContact C-N 3.35Å; V81-M84 PolarHBondContact O-N 3.24Å; V81-R85 WeakPolarHBondContact O-CG 3.45Å; V81-R85 PolarHBondContact O-N 3.14Å; V81-R85 VanDerWaalsContact O-N 3.07Å; V81-P98 HydrophobicContact CG1-CG 3.88Å; V81-P98 HydrophobicContact CG2-CG 4.31Å; V81-F116 HydrophobicContact CG2-CE1 4.48Å; V81-F116 HydrophobicContact CG2-CZ 4.42Å; V81-P175 HydrophobicContact CG2-CG 4.14Å
82	E	98.3	Very high	98	Very high	81 Å²	81	41.2 Å²	41.2	38%	0.379	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-44.6	174.6	-75.7	158.8	154.6	0	0	111	E78 S79 M84 R85 R86	E78-E82 HydrophobicContact CB-CB 4.05Å; S79-E82 WeakPolarHBondContact CB-OE2 3.36Å; S79-E82 PolarHBondContact N-OE2 2.87Å; S79-E82 PolarHBondContact O-N 2.94Å; S79-E82 WeakPolarHBondContact OG-CB 3.22Å; S79-E82 VanDerWaalsContact OG-CG 3.26Å; S79-E82 WeakPolarHBondContact OG-CG 3.49Å; S79-E82 PolarHBondContact OG-N 3.31Å; S79-E82 VanDerWaalsContact OG-N 3.17Å; S79-E82 PolarHBondContact OG-OE2 2.84Å; E82-M84 PolarHBondContact O-N 2.92Å; E82-R85 PolarHBondContact O-N 2.85Å; E82-R85 VanDerWaalsContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.28Å; E82-R86 PolarHBondContact O-N 2.92Å
83	A	98.4	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-54.2	-50.9	173.7	0	0	0	0	0	111.7	V42 M74 E78 S79 V81 R85 R86 E87	V42-A83 HydrophobicContact CG1-CB 3.99Å; V42-A83 HydrophobicContact CG2-CB 3.98Å; M74-A83 HydrophobicContact CB-CB 4.33Å; M74-A83 HydrophobicContact CG-CB 3.66Å; E78-A83 VanDerWaalsContact CD-CA 3.44Å; E78-A83 VanDerWaalsContact CD-CB 3.46Å; E78-A83 HydrophobicContact CG-CB 4.04Å; E78-A83 WeakPolarHBondContact OE1-CA 3.4Å; E78-A83 WeakPolarHBondContact OE1-CB 3.39Å; E78-A83 WeakPolarHBondContact OE2-CA 3.47Å; S79-A83 PolarHBondContact O-N 2.83Å; V81-A83 VanDerWaalsContact C-N 3.35Å; A83-R85 VanDerWaalsContact C-N 3.29Å; A83-R85 PolarHBondContact O-N 2.78Å; A83-R86 PolarHBondContact O-N 3.03Å; A83-E87 VanDerWaalsContact O-CG 3.23Å; A83-E87 WeakPolarHBondContact O-CG 3.05Å; A83-E87 PolarHBondContact O-N 3.25Å
84	M	98.7	Very high	98.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-40.9	-179.7	-178.9	-80.9	-61.6	0	0	111.9	V42 A44 I80 V81 E82 V88 C96 P98 F116 A118	V42-M84 HydrophobicContact CB-CB 4.15Å; V42-M84 HydrophobicContact CG1-CB 4.46Å; V42-M84 HydrophobicContact CG2-CB 4.32Å; A44-M84 HydrophobicContact CB-CG 4.14Å; A44-M84 HydrophobicContact CB-SD 4.12Å; I80-M84 PolarHBondContact O-N 3.42Å; V81-M84 PolarHBondContact O-N 3.24Å; E82-M84 PolarHBondContact O-N 2.92Å; M84-V88 VanDerWaalsContact O-CG2 3.28Å; M84-V88 WeakPolarHBondContact O-CG2 3.41Å; M84-V88 PolarHBondContact O-N 3.49Å; M84-V88 VanDerWaalsContact O-N 3.14Å; M84-V88 HydrophobicContact SD-CG2 4.15Å; M84-C96 PolarHBondContact SD-SG 3.23Å; M84-P98 HydrophobicContact CE-CB 3.92Å; M84-P98 HydrophobicContact CE-CG 4.2Å; M84-F116 HydrophobicContact CB-CD2 4.17Å; M84-F116 HydrophobicContact CB-CE2 4.31Å; M84-F116 HydrophobicContact CG-CB 4.3Å; M84-F116 HydrophobicContact CG-CD2 3.86Å; M84-F116 HydrophobicContact CG-CE2 4.48Å; M84-F116 HydrophobicContact CG-CG 4.19Å; M84-A118 HydrophobicContact CE-CB 4.42Å; M84-A118 HydrophobicContact SD-CB 4.2Å
85	R	98.8	Very high	98.1	Very high	123 Å²	123	37.8 Å²	37.8	46%	0.464	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-41.5	178.1	-68.5	174.6	69.4	-158.2	-5.1	112.1	V81 E82 A83 K89 C96	V81-R85 WeakPolarHBondContact O-CG 3.45Å; V81-R85 PolarHBondContact O-N 3.14Å; V81-R85 VanDerWaalsContact O-N 3.07Å; E82-R85 PolarHBondContact O-N 2.85Å; E82-R85 VanDerWaalsContact O-N 3.17Å; A83-R85 VanDerWaalsContact C-N 3.29Å; A83-R85 PolarHBondContact O-N 2.78Å; R85-K89 WeakPolarHBondContact O-CB 3.38Å; R85-K89 PolarHBondContact O-N 3.24Å; R85-C96 WeakPolarHBondContact CG-O 3.49Å; R85-C96 PolarHBondContact NE-O 3.01Å
86	R	98.7	Very high	98.1	Very high	38 Å²	38	34 Å²	34	14%	0.143	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-52.7	176.9	178.8	-177.4	52.9	66.8	2.5	110.8	R73 E75 E78 E82 A83 V88 K89 E90	R73-R86 PolarHBondContact O-NH2 3.12Å; E75-R86 IonicContact OE2-NE 3.4Å; E78-R86 IonicContact OE1-CZ 3.23Å; E78-R86 IonicContact OE1-NE 3.46Å; E78-R86 IonicContact OE1-NH2 3.06Å; E78-R86 PolarHBondContact OE1-NH2 3.35Å; E78-R86 IonicContact OE2-CZ 2.71Å; E78-R86 IonicContact OE2-NE 2.6Å; E78-R86 PolarHBondContact OE2-NE 3.19Å; E78-R86 IonicContact OE2-NH2 2.77Å; E82-R86 WeakPolarHBondContact O-CB 3.28Å; E82-R86 PolarHBondContact O-N 2.92Å; A83-R86 PolarHBondContact O-N 3.03Å; R86-V88 PolarHBondContact O-N 2.91Å; R86-K89 WeakPolarHBondContact O-CB 3.45Å; R86-K89 PolarHBondContact O-N 2.81Å; R86-E90 WeakPolarHBondContact CD-OE1 3.35Å; R86-E90 HydrophobicContact CG-CG 4.26Å; R86-E90 WeakPolarHBondContact CG-OE1 3.19Å; R86-E90 WeakPolarHBondContact CG-OE2 3.38Å; R86-E90 IonicContact NH1-OE2 3.3Å; R86-E90 PolarHBondContact NH1-OE2 2.85Å; R86-E90 WeakPolarHBondContact O-CB 3.46Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 2.8Å
87	E	98.8	Very high	98.2	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-44.5	-179.9	-63.5	-69.4	169.6	0	0	111.7	V42 G72 R73 A83 K89 E91	V42-E87 HydrophobicContact CG2-CG 3.8Å; G72-E87 WeakPolarHBondContact CA-OE1 3.45Å; G72-E87 WeakPolarHBondContact CA-OE2 3.37Å; R73-E87 PolarHBondContact N-OE1 3Å; A83-E87 VanDerWaalsContact O-CG 3.23Å; A83-E87 WeakPolarHBondContact O-CG 3.05Å; A83-E87 PolarHBondContact O-N 3.25Å; E87-K89 VanDerWaalsContact C-N 3.3Å; E87-K89 PolarHBondContact O-N 3.23Å; E87-E91 WeakPolarHBondContact O-CB 3.47Å; E87-E91 WeakPolarHBondContact O-CG 3.43Å; E87-E91 PolarHBondContact O-N 2.93Å
88	V	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-37.4	176.1	172.8	0	0	0	0	111.8	A44 I46 P70 M84 R86 A92 G93 F94 C96	A44-V88 HydrophobicContact CB-CG2 3.46Å; A44-V88 VanDerWaalsContact CB-CG2 3.46Å; I46-V88 HydrophobicContact CD1-CG1 3.89Å; I46-V88 HydrophobicContact CD1-CG2 4.08Å; P70-V88 HydrophobicContact CB-CG2 3.93Å; M84-V88 VanDerWaalsContact O-CG2 3.28Å; M84-V88 WeakPolarHBondContact O-CG2 3.41Å; M84-V88 PolarHBondContact O-N 3.49Å; M84-V88 VanDerWaalsContact O-N 3.14Å; M84-V88 HydrophobicContact SD-CG2 4.15Å; R86-V88 PolarHBondContact O-N 2.91Å; V88-A92 WeakPolarHBondContact O-CA 3.27Å; V88-A92 WeakPolarHBondContact O-CB 3.14Å; V88-A92 PolarHBondContact O-N 3.02Å; V88-G93 PolarHBondContact O-N 3.35Å; V88-F94 HydrophobicContact CG1-CB 4.1Å; V88-C96 HydrophobicContact CG1-CB 4.11Å
89	K	98.8	Very high	98.5	Very high	84 Å²	84	35.4 Å²	35.4	37%	0.365	17%	0.17	S	C	.	.	H	α-helix	trans	-69.5	-48.4	179.4	-174	62.7	172.5	-171.7	0	111.9	R85 R86 E87 G93 F94 D95	R85-K89 WeakPolarHBondContact O-CB 3.38Å; R85-K89 PolarHBondContact O-N 3.24Å; R86-K89 WeakPolarHBondContact O-CB 3.45Å; R86-K89 PolarHBondContact O-N 2.81Å; E87-K89 VanDerWaalsContact C-N 3.3Å; E87-K89 PolarHBondContact O-N 3.23Å; K89-G93 PolarHBondContact NZ-O 3.24Å; K89-G93 WeakPolarHBondContact O-CA 3.12Å; K89-G93 PolarHBondContact O-N 2.73Å; K89-F94 VanDerWaalsContact CA-O 3.3Å; K89-F94 WeakPolarHBondContact CA-O 3.44Å; K89-F94 WeakPolarHBondContact CD-O 3.16Å; K89-F94 PolarHBondContact N-O 2.89Å; K89-D95 IonicContact NZ-OD1 2.92Å; K89-D95 PolarHBondContact NZ-OD1 3.11Å; K89-D95 IonicContact NZ-OD2 3.22Å; K89-D95 PolarHBondContact NZ-OD2 2.76Å
90	E	98.4	Very high	98.6	Very high	67 Å²	67	34.4 Å²	34.4	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-65.6	-47.7	-178.3	-74.5	170.1	175.8	0	0	111.5	R86 K126 E134	R86-E90 WeakPolarHBondContact CD-OE1 3.35Å; R86-E90 HydrophobicContact CG-CG 4.26Å; R86-E90 WeakPolarHBondContact CG-OE1 3.19Å; R86-E90 WeakPolarHBondContact CG-OE2 3.38Å; R86-E90 IonicContact NH1-OE2 3.3Å; R86-E90 PolarHBondContact NH1-OE2 2.85Å; R86-E90 WeakPolarHBondContact O-CB 3.46Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 2.8Å; E90-K126 PolarHBondContact O-NZ 2.95Å; E90-E134 HydrophobicContact CB-CB 4.37Å; E90-E134 HydrophobicContact CB-CG 4.16Å
91	E	98.6	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-86.3	-26.2	-172.8	-60.4	-173.9	143.7	0	0	113.3	V56 P70 A71 E87 E134 S135	V56-E91 HydrophobicContact CB-CB 4.26Å; V56-E91 HydrophobicContact CG1-CB 3.83Å; V56-E91 WeakPolarHBondContact CG1-O 3.47Å; V56-E91 HydrophobicContact CG2-CB 4.37Å; P70-E91 WeakPolarHBondContact CA-OE2 3.32Å; A71-E91 PolarHBondContact N-OE2 3.07Å; E87-E91 WeakPolarHBondContact O-CB 3.47Å; E87-E91 WeakPolarHBondContact O-CG 3.43Å; E87-E91 PolarHBondContact O-N 2.93Å; E91-E134 HydrophobicContact CG-CB 4.47Å; E91-S135 WeakPolarHBondContact CA-OG 3.13Å; E91-S135 WeakPolarHBondContact O-CB 3.36Å; E91-S135 PolarHBondContact O-OG 2.86Å
92	A	98.7	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-128.3	-7.3	-173.4	0	0	0	0	0	116.1	L54 V56 V88 F94 K126 A138	L54-A92 HydrophobicContact CD1-CB 4.3Å; L54-A92 HydrophobicContact CD2-CB 3.81Å; L54-A92 HydrophobicContact CG-CB 4.3Å; V56-A92 HydrophobicContact CG1-CB 3.86Å; V88-A92 WeakPolarHBondContact O-CA 3.27Å; V88-A92 WeakPolarHBondContact O-CB 3.14Å; V88-A92 PolarHBondContact O-N 3.02Å; A92-F94 VanDerWaalsContact C-N 3.28Å; A92-F94 HydrophobicContact CB-CD2 4.31Å; A92-F94 PolarHBondContact O-N 2.83Å; A92-K126 PolarHBondContact O-N 3.18Å; A92-A138 HydrophobicContact CB-CB 3.76Å
93	G	98.6	Very high	98.6	Very high	17 Å²	17	29 Å²	29	18%	0.175	14%	0.136	C	C	.	.			trans	82.2	-4.5	176.4	0	0	0	0	0	115.5	V88 K89 S124	V88-G93 PolarHBondContact O-N 3.35Å; K89-G93 PolarHBondContact NZ-O 3.24Å; K89-G93 WeakPolarHBondContact O-CA 3.12Å; K89-G93 PolarHBondContact O-N 2.73Å; G93-S124 CarbonylContact C-O 3.53Å; G93-S124 VanDerWaalsContact CA-O 3.32Å; G93-S124 WeakPolarHBondContact CA-O 3.25Å; G93-S124 PolarHBondContact O-N 3.29Å
94	F	98.8	Very high	98.6	Very high	19 Å²	19	29 Å²	29	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.3	-176.1	-70.1	-61.4	0	0	0	113.5	L54 V88 K89 A92 I120 L125 W140	L54-F94 HydrophobicContact CD1-CD2 4.26Å; L54-F94 HydrophobicContact CD1-CE2 3.93Å; L54-F94 HydrophobicContact CD2-CD2 3.89Å; L54-F94 HydrophobicContact CD2-CE2 4.34Å; V88-F94 HydrophobicContact CG1-CB 4.1Å; K89-F94 VanDerWaalsContact CA-O 3.3Å; K89-F94 WeakPolarHBondContact CA-O 3.44Å; K89-F94 WeakPolarHBondContact CD-O 3.16Å; K89-F94 PolarHBondContact N-O 2.89Å; A92-F94 VanDerWaalsContact C-N 3.28Å; A92-F94 HydrophobicContact CB-CD2 4.31Å; A92-F94 PolarHBondContact O-N 2.83Å; F94-I120 HydrophobicContact CB-CD1 4.4Å; F94-I120 HydrophobicContact CB-CG1 4.17Å; F94-I120 HydrophobicContact CB-CG2 4.36Å; F94-I120 HydrophobicContact CD1-CD1 3.84Å; F94-I120 HydrophobicContact CD1-CG1 4.28Å; F94-I120 HydrophobicContact CD1-CG2 3.74Å; F94-I120 HydrophobicContact CD2-CD1 3.7Å; F94-I120 HydrophobicContact CD2-CG1 4.33Å; F94-I120 HydrophobicContact CE1-CD1 3.93Å; F94-I120 HydrophobicContact CE1-CG2 4.32Å; F94-I120 HydrophobicContact CE2-CD1 3.76Å; F94-I120 HydrophobicContact CG-CD1 3.72Å; F94-I120 HydrophobicContact CG-CG1 4.02Å; F94-I120 HydrophobicContact CG-CG2 4.22Å; F94-I120 HydrophobicContact CZ-CD1 3.88Å; F94-L125 HydrophobicContact CE2-CB 4.12Å; F94-L125 HydrophobicContact CE2-CD1 3.52Å; F94-L125 HydrophobicContact CE2-CG 4.46Å; F94-L125 HydrophobicContact CZ-CB 3.74Å; F94-L125 HydrophobicContact CZ-CD1 3.95Å; F94-L125 HydrophobicContact CZ-CG 4.49Å; F94-W140 HydrophobicContact CE2-CZ2 4.05Å; F94-W140 HydrophobicContact CZ-CZ2 4.2Å
95	D	98.8	Very high	98.5	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.5	159.8	-57.9	-67.2	0	0	0	108.3	K89 I120 T121 G122 G123	K89-D95 IonicContact NZ-OD1 2.92Å; K89-D95 PolarHBondContact NZ-OD1 3.11Å; K89-D95 IonicContact NZ-OD2 3.22Å; K89-D95 PolarHBondContact NZ-OD2 2.76Å; D95-I120 CarbonylContact O-C 3.6Å; D95-I120 WeakPolarHBondContact O-CA 3.37Å; D95-T121 PolarHBondContact O-N 2.78Å; D95-T121 PolarHBondContact O-OG1 2.85Å; D95-G122 PolarHBondContact N-O 2.98Å; D95-G122 PolarHBondContact O-N 3.22Å; D95-G123 PolarHBondContact OD2-N 2.82Å
96	C	98.6	Very high	98.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	170.4	-177.9	72.4	0	0	0	0	112.4	I46 M84 R85 V88 E119	I46-C96 HydrophobicContact CD1-CB 4.32Å; M84-C96 PolarHBondContact SD-SG 3.23Å; R85-C96 WeakPolarHBondContact CG-O 3.49Å; R85-C96 PolarHBondContact NE-O 3.01Å; V88-C96 HydrophobicContact CG1-CB 4.11Å; C96-E119 CarbonylContact C-O 3.54Å; C96-E119 WeakPolarHBondContact CA-O 3.2Å; C96-E119 VanDerWaalsContact CB-O 3.29Å; C96-E119 WeakPolarHBondContact CB-O 3.43Å
97	K	98.4	Very high	98.2	Very high	101 Å²	101	25.6 Å²	25.6	44%	0.439	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.1	167.1	68.6	-177.8	179.6	170.8	0	110.3	A118 E119 T121	K97-A118 WeakPolarHBondContact O-CA 3.48Å; K97-A118 WeakPolarHBondContact O-CB 3.46Å; K97-E119 VanDerWaalsContact CE-CD 3.42Å; K97-E119 WeakPolarHBondContact CE-OE1 3.33Å; K97-E119 HydrophobicContact CG-CG 3.94Å; K97-E119 PolarHBondContact N-O 3.04Å; K97-E119 IonicContact NZ-OE1 2.82Å; K97-E119 PolarHBondContact NZ-OE1 3.26Å; K97-E119 PolarHBondContact O-N 3.48Å; K97-T121 HydrophobicContact CB-CG2 4.25Å; K97-T121 HydrophobicContact CD-CG2 3.75Å; K97-T121 HydrophobicContact CG-CG2 3.7Å
98	P	98.3	Very high	97.9	Very high	23 Å²	23	25 Å²	25	15%	0.149	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.7	178.1	29.7	-33.9	0	0	0	110.7	V81 M84 F116 H174	V81-P98 HydrophobicContact CG1-CG 3.88Å; V81-P98 HydrophobicContact CG2-CG 4.31Å; M84-P98 HydrophobicContact CE-CB 3.92Å; M84-P98 HydrophobicContact CE-CG 4.2Å; P98-F116 HydrophobicContact CB-CD1 3.61Å; P98-F116 HydrophobicContact CB-CE1 4Å; P98-H174 PolarHBondContact O-CE1 3.43Å
99	I	98.6	Very high	97.6	Very high	58 Å²	58	25.3 Å²	25.3	30%	0.297	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-47.9	162.5	-66.2	166.6	0	0	0	108.9	L117 E119 V172 H174	I99-L117 WeakPolarHBondContact CA-O 3.23Å; I99-L117 HydrophobicContact CB-CB 4.5Å; I99-L117 HydrophobicContact CB-CD2 4.34Å; I99-L117 HydrophobicContact CB-CG 4.09Å; I99-L117 WeakPolarHBondContact CB-O 3.18Å; I99-L117 HydrophobicContact CD1-CD1 4.45Å; I99-L117 HydrophobicContact CD1-CD2 4.22Å; I99-L117 HydrophobicContact CD1-CG 3.88Å; I99-L117 HydrophobicContact CG2-CD2 4.13Å; I99-L117 HydrophobicContact CG2-CG 4.44Å; I99-L117 PolarHBondContact N-O 3.5Å; I99-E119 HydrophobicContact CD1-CB 4.02Å; I99-E119 HydrophobicContact CD1-CG 4.34Å; I99-E119 HydrophobicContact CG1-CB 4.29Å; I99-E119 HydrophobicContact CG1-CG 4.1Å; I99-V172 WeakPolarHBondContact O-CG1 3.5Å; I99-H174 PolarHBondContact O-CE1 3.46Å; I99-H174 VanDerWaalsContact O-CE1 3.24Å
100	T	98.6	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	160.6	174.5	-174.3	0	0	0	0	110.2	V102 F116 L117 Y164 A173	T100-V102 HydrophobicContact CG2-CG1 3.73Å; T100-F116 WeakPolarHBondContact O-CA 3.48Å; T100-L117 HydrophobicContact CG2-CB 4.46Å; T100-L117 PolarHBondContact N-O 2.94Å; T100-L117 PolarHBondContact O-N 2.94Å; T100-Y164 HydrophobicContact CG2-CD1 3.8Å; T100-Y164 HydrophobicContact CG2-CD2 4.45Å; T100-Y164 HydrophobicContact CG2-CE1 3.34Å; T100-Y164 HydrophobicContact CG2-CE2 4.06Å; T100-Y164 HydrophobicContact CG2-CG 4.33Å; T100-Y164 VanDerWaalsContact CG2-CZ 3.48Å; T100-A173 PolarHBondContact OG1-N 2.9Å; T100-A173 PolarHBondContact OG1-O 3.26Å
101	L	98.5	Very high	97.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.4	152.7	-73.4	166.3	0	0	0	109.3	F114 F116 H170 A173 P175 L250 L315	L101-F114 HydrophobicContact CD2-CB 3.86Å; L101-F114 HydrophobicContact CD2-CD1 4.48Å; L101-F116 HydrophobicContact CD2-CD1 3.82Å; L101-F116 HydrophobicContact CD2-CD2 3.95Å; L101-F116 HydrophobicContact CD2-CE1 3.49Å; L101-F116 VanDerWaalsContact CD2-CE1 3.49Å; L101-F116 HydrophobicContact CD2-CE2 3.61Å; L101-F116 HydrophobicContact CD2-CG 4.05Å; L101-F116 HydrophobicContact CD2-CZ 3.38Å; L101-F116 HydrophobicContact CG-CD1 4.05Å; L101-F116 HydrophobicContact CG-CE1 3.59Å; L101-F116 HydrophobicContact CG-CZ 3.89Å; L101-H170 PolarHBondContact O-CE1 2.99Å; L101-H170 PolarHBondContact O-NE2 3.22Å; L101-A173 HydrophobicContact CB-CB 4.41Å; L101-A173 WeakPolarHBondContact CB-O 3.36Å; L101-A173 PolarHBondContact N-O 3.1Å; L101-P175 HydrophobicContact CD1-CG 4.13Å; L101-L250 HydrophobicContact CD1-CD2 3.46Å; L101-L250 VanDerWaalsContact CD1-CD2 3.46Å; L101-L250 HydrophobicContact CD1-CG 4.1Å; L101-L315 HydrophobicContact CB-CD1 3.76Å; L101-L315 HydrophobicContact CB-CD2 3.9Å; L101-L315 HydrophobicContact CD1-CD2 4.01Å
102	V	98.3	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-20.9	176.4	-65.7	0	0	0	0	112.8	T100 V115 L117 T160 A161 Y164 P316	T100-V102 HydrophobicContact CG2-CG1 3.73Å; V102-V115 HydrophobicContact CG2-CB 4.31Å; V102-V115 HydrophobicContact CG2-CG1 3.93Å; V102-V115 WeakPolarHBondContact CG2-O 3.41Å; V102-V115 PolarHBondContact N-O 2.87Å; V102-L117 HydrophobicContact CG1-CB 3.67Å; V102-T160 HydrophobicContact CB-CG2 4.34Å; V102-A161 HydrophobicContact CG2-CB 4.24Å; V102-Y164 HydrophobicContact CG1-CD1 4.35Å; V102-Y164 HydrophobicContact CG1-CD2 4.44Å; V102-Y164 HydrophobicContact CG1-CG 3.99Å; V102-P316 WeakPolarHBondContact O-CD 3.41Å; V102-P316 WeakPolarHBondContact O-CG 3.44Å
103	L	98.1	Very high	97.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	140.9	179	-179.9	65.1	0	0	0	110.2	Q105 V115 L157 T160 P316 H318	L103-Q105 HydrophobicContact CD2-CG 3.88Å; L103-Q105 HydrophobicContact CG-CG 4.11Å; L103-V115 HydrophobicContact CB-CB 4.12Å; L103-V115 HydrophobicContact CB-CG2 4.34Å; L103-V115 WeakPolarHBondContact O-CB 3.35Å; L103-V115 PolarHBondContact O-N 2.83Å; L103-L157 HydrophobicContact CD2-CD2 3.6Å; L103-T160 HydrophobicContact CB-CG2 4.4Å; L103-P316 HydrophobicContact CD1-CB 4.02Å; L103-P316 HydrophobicContact CD1-CG 3.82Å; L103-H318 HydrophobicContact CD1-CB 4.1Å
104	V	98.2	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.2	161.9	178.9	0	0	0	0	107.9	I112 R113 F114 I247 L250 F265 L315 P316 V317 H318	V104-I112 HydrophobicContact CG1-CG2 3.69Å; V104-R113 WeakPolarHBondContact CA-O 3.44Å; V104-F114 HydrophobicContact CG2-CD1 4.29Å; V104-I247 HydrophobicContact CG2-CD1 4.26Å; V104-L250 HydrophobicContact CG2-CD2 4.45Å; V104-F265 HydrophobicContact CG1-CE1 4.13Å; V104-F265 HydrophobicContact CG1-CZ 4.07Å; V104-F265 HydrophobicContact CG2-CE1 4.42Å; V104-L315 HydrophobicContact CG2-CD2 3.91Å; V104-L315 HydrophobicContact CG2-CG 4.34Å; V104-P316 PolarHBondContact N-O 2.73Å; V104-V317 HydrophobicContact CB-CG2 4.4Å; V104-V317 CarbonylContact O-C 3.28Å; V104-V317 VanDerWaalsContact O-CA 3.31Å; V104-V317 WeakPolarHBondContact O-CA 3.48Å; V104-H318 PolarHBondContact O-N 2.94Å
105	Q	97.8	Very high	97.4	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.028	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.8	169	-77.1	170.8	-40.8	0	0	109.7	L103 W111 I112 R113 H318 L320	L103-Q105 HydrophobicContact CD2-CG 3.88Å; L103-Q105 HydrophobicContact CG-CG 4.11Å; Q105-W111 HydrophobicContact CB-CZ3 4.28Å; Q105-I112 CarbonylContact O-C 3.59Å; Q105-I112 WeakPolarHBondContact O-CA 3.48Å; Q105-R113 HydrophobicContact CB-CB 4.29Å; Q105-R113 PolarHBondContact N-O 3.29Å; Q105-R113 PolarHBondContact O-N 2.87Å; Q105-H318 VanDerWaalsContact CA-O 3.27Å; Q105-H318 WeakPolarHBondContact CA-O 3.17Å; Q105-H318 HydrophobicContact CG-CB 4.07Å; Q105-L320 HydrophobicContact CB-CD1 4.46Å; Q105-L320 HydrophobicContact CB-CG 4.48Å; Q105-L320 HydrophobicContact CG-CD2 4.48Å
106	E	96.4	Very high	97.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.1	-176.5	58.8	89.9	-160.2	0	0	111.5	G108 W111 I112 T220 V221 V317 H318 S319 L320	E106-G108 VanDerWaalsContact OE2-CA 3.26Å; E106-G108 WeakPolarHBondContact OE2-CA 3.34Å; E106-G108 PolarHBondContact OE2-N 2.99Å; E106-W111 WeakPolarHBondContact CA-O 3.41Å; E106-I112 HydrophobicContact CB-CG1 4.27Å; E106-T220 VanDerWaalsContact OE1-CB 3.27Å; E106-T220 WeakPolarHBondContact OE1-CB 3.47Å; E106-T220 WeakPolarHBondContact OE2-CA 3.32Å; E106-V221 HydrophobicContact CB-CG1 4.32Å; E106-V221 HydrophobicContact CB-CG2 4.36Å; E106-V221 HydrophobicContact CG-CG1 4.41Å; E106-V221 HydrophobicContact CG-CG2 3.72Å; E106-V221 PolarHBondContact OE2-N 2.73Å; E106-V317 HydrophobicContact CG-CG1 3.74Å; E106-H318 PolarHBondContact N-O 3.15Å; E106-S319 CarbonylContact O-C 3.49Å; E106-S319 WeakPolarHBondContact O-CA 3.49Å; E106-S319 VanDerWaalsContact OE1-CA 3.25Å; E106-S319 WeakPolarHBondContact OE1-CA 3.48Å; E106-S319 WeakPolarHBondContact OE1-CB 3.26Å; E106-L320 PolarHBondContact O-N 2.67Å
107	Q	95	Very high	97.4	Very high	83 Å²	83	20.6 Å²	20.6	39%	0.388	10%	0.096	S	C	.	.	S	Bend	trans	-128.6	64.7	167.7	-169.5	-173.5	-25.1	0	0	107.3	Q110 W111 L320 Y321	Q107-Q110 WeakPolarHBondContact O-CG 3.22Å; Q107-Q110 PolarHBondContact O-NE2 2.9Å; Q107-Q110 VanDerWaalsContact O-NE2 3.16Å; Q107-W111 HydrophobicContact CB-CB 4.34Å; Q107-W111 HydrophobicContact CB-CE3 4.47Å; Q107-W111 PolarHBondContact N-O 2.8Å; Q107-L320 HydrophobicContact CB-CB 4.32Å; Q107-Y321 VanDerWaalsContact C-CE2 3.44Å; Q107-Y321 HydrophobicContact CG-CD1 4.07Å; Q107-Y321 HydrophobicContact CG-CE1 3.8Å; Q107-Y321 HydrophobicContact CG-CE2 4.3Å; Q107-Y321 HydrophobicContact CG-CG 4.43Å; Q107-Y321 PolarHBondContact O-OH 3.04Å
108	G	92.3	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	71.1	-177.9	-169.6	0	0	0	0	0	112.1	E106 Q110 W111 H219	E106-G108 VanDerWaalsContact OE2-CA 3.26Å; E106-G108 WeakPolarHBondContact OE2-CA 3.34Å; E106-G108 PolarHBondContact OE2-N 2.99Å; G108-Q110 PolarHBondContact O-N 3.36Å; G108-W111 PolarHBondContact O-N 3.14Å; G108-H219 VanDerWaalsContact CA-O 3.28Å; G108-H219 WeakPolarHBondContact CA-O 3.37Å
109	P	91.8	Very high	97.4	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.032	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	25.6	-178.8	34.4	-39.3	0	0	0	113.4	I38 V183 V216 K217 V221	I38-P109 WeakPolarHBondContact CD1-O 3.44Å; I38-P109 WeakPolarHBondContact CG1-O 3.33Å; P109-V183 HydrophobicContact CB-CB 3.88Å; P109-V183 HydrophobicContact CB-CG1 4.08Å; P109-V183 HydrophobicContact CB-CG2 4.04Å; P109-V216 WeakPolarHBondContact CD-O 3.21Å; P109-V216 VanDerWaalsContact CG-C 3.45Å; P109-V216 WeakPolarHBondContact CG-O 3.33Å; P109-K217 HydrophobicContact CG-CG 4.23Å; P109-V221 HydrophobicContact CB-CG1 4.29Å
110	Q	94.7	Very high	97.4	Very high	73 Å²	73	18.9 Å²	18.9	34%	0.341	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-20.8	177.8	59.6	-174.5	-9.6	0	0	112.1	I38 T39 Q107 G108 Y321	I38-Q110 CarbonylContact C-O 3.56Å; I38-Q110 WeakPolarHBondContact CA-O 3.35Å; T39-Q110 PolarHBondContact N-O 2.95Å; Q107-Q110 WeakPolarHBondContact O-CG 3.22Å; Q107-Q110 PolarHBondContact O-NE2 2.9Å; Q107-Q110 VanDerWaalsContact O-NE2 3.16Å; G108-Q110 PolarHBondContact O-N 3.36Å; Q110-Y321 PolarHBondContact NE2-OH 2.9Å
111	W	97.4	Very high	97.4	Very high	61 Å²	61	22.8 Å²	22.8	23%	0.231	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	121.7	178.8	-171.1	96.2	0	0	0	109.9	T39 I41 Q105 E106 Q107 G108 R113 L320	T39-W111 WeakPolarHBondContact O-CA 3.36Å; I41-W111 HydrophobicContact CB-CZ2 4.35Å; I41-W111 HydrophobicContact CG1-CZ2 3.7Å; Q105-W111 HydrophobicContact CB-CZ3 4.28Å; E106-W111 WeakPolarHBondContact CA-O 3.41Å; Q107-W111 HydrophobicContact CB-CB 4.34Å; Q107-W111 HydrophobicContact CB-CE3 4.47Å; Q107-W111 PolarHBondContact N-O 2.8Å; G108-W111 PolarHBondContact O-N 3.14Å; W111-R113 HydrophobicContact CH2-CB 3.38Å; W111-R113 HydrophobicContact CH2-CG 4.29Å; W111-R113 HydrophobicContact CZ2-CB 4.05Å; W111-R113 HydrophobicContact CZ3-CB 3.66Å; W111-L320 HydrophobicContact CE3-CD1 4.08Å; W111-L320 HydrophobicContact CH2-CD1 3.93Å; W111-L320 HydrophobicContact CZ3-CD1 3.4Å
112	I	98.3	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.4	179.4	-54	-177.5	0	0	0	108.8	I38 T39 Y40 I41 V104 Q105 E106 F114 V183 V221 L263 F265	I38-I112 HydrophobicContact CD1-CD1 4.44Å; T39-I112 PolarHBondContact O-N 2.94Å; Y40-I112 CarbonylContact C-O 3.05Å; Y40-I112 WeakPolarHBondContact CA-O 3.32Å; Y40-I112 HydrophobicContact CD1-CB 3.98Å; Y40-I112 HydrophobicContact CD1-CG1 4.49Å; Y40-I112 HydrophobicContact CE1-CB 4.22Å; Y40-I112 HydrophobicContact CE1-CD1 4.04Å; Y40-I112 HydrophobicContact CE1-CG1 4.31Å; I41-I112 PolarHBondContact N-O 3.01Å; V104-I112 HydrophobicContact CG1-CG2 3.69Å; Q105-I112 CarbonylContact O-C 3.59Å; Q105-I112 WeakPolarHBondContact O-CA 3.48Å; E106-I112 HydrophobicContact CB-CG1 4.27Å; I112-F114 HydrophobicContact CB-CZ 4.44Å; I112-F114 HydrophobicContact CG2-CD1 4.41Å; I112-F114 HydrophobicContact CG2-CE1 3.83Å; I112-F114 HydrophobicContact CG2-CE2 4.24Å; I112-F114 HydrophobicContact CG2-CZ 3.74Å; I112-V183 HydrophobicContact CD1-CG1 4.42Å; I112-V221 HydrophobicContact CD1-CG1 4.33Å; I112-L263 HydrophobicContact CD1-CD2 3.58Å; I112-F265 HydrophobicContact CD1-CE2 4.11Å; I112-F265 HydrophobicContact CD1-CZ 4.16Å; I112-F265 HydrophobicContact CG2-CZ 4.4Å
113	R	98.7	Very high	97.4	Very high	14 Å²	14	26.3 Å²	26.3	5%	0.053	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.2	174.1	179.2	164.5	68.4	-178.4	-1.5	111	I41 Y68 V104 Q105 W111 V115 D153	I41-R113 HydrophobicContact CB-CB 3.94Å; I41-R113 HydrophobicContact CB-CG 3.98Å; I41-R113 HydrophobicContact CG2-CB 4.38Å; I41-R113 HydrophobicContact CG2-CG 3.89Å; I41-R113 CarbonylContact O-C 3.49Å; I41-R113 VanDerWaalsContact O-CA 3.27Å; I41-R113 WeakPolarHBondContact O-CA 3.48Å; Y68-R113 PolarHBondContact OH-NH1 2.91Å; V104-R113 WeakPolarHBondContact CA-O 3.44Å; Q105-R113 HydrophobicContact CB-CB 4.29Å; Q105-R113 PolarHBondContact N-O 3.29Å; Q105-R113 PolarHBondContact O-N 2.87Å; W111-R113 HydrophobicContact CH2-CB 3.38Å; W111-R113 HydrophobicContact CH2-CG 4.29Å; W111-R113 HydrophobicContact CZ2-CB 4.05Å; W111-R113 HydrophobicContact CZ3-CB 3.66Å; R113-V115 HydrophobicContact CG-CG2 4.14Å; R113-D153 IonicContact CZ-OD2 2.97Å; R113-D153 VanDerWaalsContact CZ-OD2 3.3Å; R113-D153 IonicContact NH1-OD2 2.92Å; R113-D153 PolarHBondContact NH1-OD2 3.07Å; R113-D153 IonicContact NH2-OD2 3.91Å; R113-D153 PolarHBondContact NH2-OD2 2.71Å
114	F	98.8	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.2	176	-56.1	-73	0	0	0	109.5	Y40 I41 V42 S43 M74 I80 L101 V104 I112 F116 L250 L263	Y40-F114 HydrophobicContact CD1-CE2 4.03Å; Y40-F114 HydrophobicContact CD1-CZ 4.39Å; Y40-F114 AromaticContact CG-CE2 3.97Å; Y40-F114 HydrophobicContact CG-CE2 3.97Å; I41-F114 PolarHBondContact O-N 2.96Å; V42-F114 CarbonylContact C-O 3.42Å; V42-F114 WeakPolarHBondContact CA-O 3.4Å; V42-F114 HydrophobicContact CG1-CB 4.48Å; V42-F114 HydrophobicContact CG1-CD2 4.48Å; S43-F114 PolarHBondContact N-O 2.97Å; M74-F114 HydrophobicContact SD-CE2 4.37Å; I80-F114 HydrophobicContact CD1-CD1 4.39Å; I80-F114 HydrophobicContact CD1-CD2 4.2Å; I80-F114 HydrophobicContact CD1-CE1 4.01Å; I80-F114 HydrophobicContact CD1-CE2 3.78Å; I80-F114 HydrophobicContact CD1-CG 4.48Å; I80-F114 HydrophobicContact CD1-CZ 3.67Å; I80-F114 HydrophobicContact CG1-CD2 4.28Å; I80-F114 HydrophobicContact CG1-CE2 4.05Å; I80-F114 HydrophobicContact CG1-CZ 4.44Å; I80-F114 HydrophobicContact CG2-CB 3.99Å; I80-F114 HydrophobicContact CG2-CD2 3.73Å; I80-F114 HydrophobicContact CG2-CE2 4.34Å; I80-F114 HydrophobicContact CG2-CG 3.83Å; L101-F114 HydrophobicContact CD2-CB 3.86Å; L101-F114 HydrophobicContact CD2-CD1 4.48Å; V104-F114 HydrophobicContact CG2-CD1 4.29Å; I112-F114 HydrophobicContact CB-CZ 4.44Å; I112-F114 HydrophobicContact CG2-CD1 4.41Å; I112-F114 HydrophobicContact CG2-CE1 3.83Å; I112-F114 HydrophobicContact CG2-CE2 4.24Å; I112-F114 HydrophobicContact CG2-CZ 3.74Å; F114-F116 HydrophobicContact CB-CD2 4.49Å; F114-F116 HydrophobicContact CB-CE2 3.86Å; F114-L250 HydrophobicContact CD1-CD2 4.02Å; F114-L250 HydrophobicContact CE1-CD2 3.79Å; F114-L263 HydrophobicContact CE1-CD1 4.32Å; F114-L263 HydrophobicContact CE1-CD2 4.11Å; F114-L263 HydrophobicContact CZ-CD1 4.05Å; F114-L263 HydrophobicContact CZ-CD2 3.78Å
115	V	98.8	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.6	-177.5	-173.2	0	0	0	0	108.8	V45 V102 L103 R113 L157	V45-V115 HydrophobicContact CG2-CG1 4.19Å; V102-V115 HydrophobicContact CG2-CB 4.31Å; V102-V115 HydrophobicContact CG2-CG1 3.93Å; V102-V115 WeakPolarHBondContact CG2-O 3.41Å; V102-V115 PolarHBondContact N-O 2.87Å; L103-V115 HydrophobicContact CB-CB 4.12Å; L103-V115 HydrophobicContact CB-CG2 4.34Å; L103-V115 WeakPolarHBondContact O-CB 3.35Å; L103-V115 PolarHBondContact O-N 2.83Å; R113-V115 HydrophobicContact CG-CG2 4.14Å; V115-L157 HydrophobicContact CG1-CB 4.06Å; V115-L157 HydrophobicContact CG1-CD1 4.29Å; V115-L157 HydrophobicContact CG1-CD2 4.28Å; V115-L157 HydrophobicContact CG1-CG 4.44Å; V115-L157 HydrophobicContact CG2-CD1 4.07Å; V115-L157 HydrophobicContact CG2-CD2 3.85Å; V115-L157 HydrophobicContact CG2-CG 4.49Å
116	F	98.9	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.5	-179.7	-71.5	-87.9	0	0	0	111.1	V42 S43 V45 I80 V81 M84 P98 T100 L101 F114 P175	V42-F116 HydrophobicContact CG1-CE2 4.46Å; S43-F116 PolarHBondContact O-N 3Å; V45-F116 PolarHBondContact N-O 2.93Å; I80-F116 HydrophobicContact CG2-CE2 3.66Å; I80-F116 HydrophobicContact CG2-CZ 3.65Å; V81-F116 HydrophobicContact CG2-CE1 4.48Å; V81-F116 HydrophobicContact CG2-CZ 4.42Å; M84-F116 HydrophobicContact CB-CD2 4.17Å; M84-F116 HydrophobicContact CB-CE2 4.31Å; M84-F116 HydrophobicContact CG-CB 4.3Å; M84-F116 HydrophobicContact CG-CD2 3.86Å; M84-F116 HydrophobicContact CG-CE2 4.48Å; M84-F116 HydrophobicContact CG-CG 4.19Å; P98-F116 HydrophobicContact CB-CD1 3.61Å; P98-F116 HydrophobicContact CB-CE1 4Å; T100-F116 WeakPolarHBondContact O-CA 3.48Å; L101-F116 HydrophobicContact CD2-CD1 3.82Å; L101-F116 HydrophobicContact CD2-CD2 3.95Å; L101-F116 HydrophobicContact CD2-CE1 3.49Å; L101-F116 VanDerWaalsContact CD2-CE1 3.49Å; L101-F116 HydrophobicContact CD2-CE2 3.61Å; L101-F116 HydrophobicContact CD2-CG 4.05Å; L101-F116 HydrophobicContact CD2-CZ 3.38Å; L101-F116 HydrophobicContact CG-CD1 4.05Å; L101-F116 HydrophobicContact CG-CE1 3.59Å; L101-F116 HydrophobicContact CG-CZ 3.89Å; F114-F116 HydrophobicContact CB-CD2 4.49Å; F114-F116 HydrophobicContact CB-CE2 3.86Å; F116-P175 HydrophobicContact CE1-CG 4.41Å; F116-P175 HydrophobicContact CZ-CG 4.04Å
117	L	98.9	Very high	97.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	149.6	174.3	63.4	0	0	0	106.7	F47 I99 T100 V102 A161 Y164 R165	F47-L117 HydrophobicContact CD2-CD1 3.96Å; F47-L117 HydrophobicContact CE2-CD1 4.02Å; I99-L117 WeakPolarHBondContact CA-O 3.23Å; I99-L117 HydrophobicContact CB-CB 4.5Å; I99-L117 HydrophobicContact CB-CD2 4.34Å; I99-L117 HydrophobicContact CB-CG 4.09Å; I99-L117 WeakPolarHBondContact CB-O 3.18Å; I99-L117 HydrophobicContact CD1-CD1 4.45Å; I99-L117 HydrophobicContact CD1-CD2 4.22Å; I99-L117 HydrophobicContact CD1-CG 3.88Å; I99-L117 HydrophobicContact CG2-CD2 4.13Å; I99-L117 HydrophobicContact CG2-CG 4.44Å; I99-L117 PolarHBondContact N-O 3.5Å; T100-L117 HydrophobicContact CG2-CB 4.46Å; T100-L117 PolarHBondContact N-O 2.94Å; T100-L117 PolarHBondContact O-N 2.94Å; V102-L117 HydrophobicContact CG1-CB 3.67Å; L117-A161 HydrophobicContact CD1-CB 4.35Å; L117-Y164 HydrophobicContact CD2-CD1 3.84Å; L117-R165 HydrophobicContact CD2-CB 4.15Å
118	A	98.8	Very high	97.6	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.4	-176.7	0	0	0	0	0	112	V45 I46 M84 K97	V45-A118 PolarHBondContact O-N 2.8Å; I46-A118 HydrophobicContact CD1-CB 4.23Å; I46-A118 HydrophobicContact CG1-CB 3.83Å; M84-A118 HydrophobicContact CE-CB 4.42Å; M84-A118 HydrophobicContact SD-CB 4.2Å; K97-A118 WeakPolarHBondContact O-CA 3.48Å; K97-A118 WeakPolarHBondContact O-CB 3.46Å
119	E	98.5	Very high	97.8	Very high	85 Å²	85	40.6 Å²	40.6	40%	0.397	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.2	174.7	62.2	-178.9	166.4	0	0	111.7	C96 K97 I99	C96-E119 CarbonylContact C-O 3.54Å; C96-E119 WeakPolarHBondContact CA-O 3.2Å; C96-E119 VanDerWaalsContact CB-O 3.29Å; C96-E119 WeakPolarHBondContact CB-O 3.43Å; K97-E119 VanDerWaalsContact CE-CD 3.42Å; K97-E119 WeakPolarHBondContact CE-OE1 3.33Å; K97-E119 HydrophobicContact CG-CG 3.94Å; K97-E119 PolarHBondContact N-O 3.04Å; K97-E119 IonicContact NZ-OE1 2.82Å; K97-E119 PolarHBondContact NZ-OE1 3.26Å; K97-E119 PolarHBondContact O-N 3.48Å; I99-E119 HydrophobicContact CD1-CB 4.02Å; I99-E119 HydrophobicContact CD1-CG 4.34Å; I99-E119 HydrophobicContact CG1-CB 4.29Å; I99-E119 HydrophobicContact CG1-CG 4.1Å
120	I	98.6	Very high	98.1	Very high	58 Å²	58	44.7 Å²	44.7	30%	0.297	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.2	176.9	-66.2	170.2	0	0	0	109.1	I46 F94 D95 G122 W140	I46-I120 HydrophobicContact CG2-CD1 4.08Å; I46-I120 HydrophobicContact CG2-CG1 3.88Å; F94-I120 HydrophobicContact CB-CD1 4.4Å; F94-I120 HydrophobicContact CB-CG1 4.17Å; F94-I120 HydrophobicContact CB-CG2 4.36Å; F94-I120 HydrophobicContact CD1-CD1 3.84Å; F94-I120 HydrophobicContact CD1-CG1 4.28Å; F94-I120 HydrophobicContact CD1-CG2 3.74Å; F94-I120 HydrophobicContact CD2-CD1 3.7Å; F94-I120 HydrophobicContact CD2-CG1 4.33Å; F94-I120 HydrophobicContact CE1-CD1 3.93Å; F94-I120 HydrophobicContact CE1-CG2 4.32Å; F94-I120 HydrophobicContact CE2-CD1 3.76Å; F94-I120 HydrophobicContact CG-CD1 3.72Å; F94-I120 HydrophobicContact CG-CG1 4.02Å; F94-I120 HydrophobicContact CG-CG2 4.22Å; F94-I120 HydrophobicContact CZ-CD1 3.88Å; D95-I120 CarbonylContact O-C 3.6Å; D95-I120 WeakPolarHBondContact O-CA 3.37Å; I120-G122 WeakPolarHBondContact CG2-O 3.4Å; I120-W140 HydrophobicContact CD1-CH2 3.55Å; I120-W140 HydrophobicContact CD1-CZ2 3.53Å
121	T	98.6	Very high	98.2	Very high	81 Å²	81	43.3 Å²	43.3	50%	0.497	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-8.1	177.4	54.6	0	0	0	0	113	D95 K97	D95-T121 PolarHBondContact O-N 2.78Å; D95-T121 PolarHBondContact O-OG1 2.85Å; K97-T121 HydrophobicContact CB-CG2 4.25Å; K97-T121 HydrophobicContact CD-CG2 3.75Å; K97-T121 HydrophobicContact CG-CG2 3.7Å
122	G	98.4	Very high	98.2	Very high	27 Å²	27	44 Å²	44	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-170.8	-180	0	0	0	0	0	112.5	D95 I120	D95-G122 PolarHBondContact N-O 2.98Å; D95-G122 PolarHBondContact O-N 3.22Å; I120-G122 WeakPolarHBondContact CG2-O 3.4Å
123	G	97.7	Very high	98.1	Very high	49 Å²	49	47.8 Å²	47.8	51%	0.505	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-167.6	-177.4	0	0	0	0	0	113.4	D95	D95-G123 PolarHBondContact OD2-N 2.82Å
124	S	97.7	Very high	98	Very high	74 Å²	74	50.6 Å²	50.6	52%	0.517	32%	0.32	S	S	.	.			trans	-144.2	155.2	-178.1	52.1	0	0	0	0	110.2	G93 K126	G93-S124 CarbonylContact C-O 3.53Å; G93-S124 VanDerWaalsContact CA-O 3.32Å; G93-S124 WeakPolarHBondContact CA-O 3.25Å; G93-S124 PolarHBondContact O-N 3.29Å; S124-K126 PolarHBondContact O-N 2.9Å
125	L	98.4	Very high	98	Very high	54 Å²	54	50.6 Å²	50.6	28%	0.283	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.6	124	180	-171.9	72.3	0	0	0	110.4	L54 F94 T127 A138	L54-L125 HydrophobicContact CD1-CD1 3.8Å; F94-L125 HydrophobicContact CE2-CB 4.12Å; F94-L125 HydrophobicContact CE2-CD1 3.52Å; F94-L125 HydrophobicContact CE2-CG 4.46Å; F94-L125 HydrophobicContact CZ-CB 3.74Å; F94-L125 HydrophobicContact CZ-CD1 3.95Å; F94-L125 HydrophobicContact CZ-CG 4.49Å; L125-T127 PolarHBondContact O-N 2.9Å; L125-A138 HydrophobicContact CD1-CB 3.59Å; L125-A138 HydrophobicContact CG-CB 4.34Å
126	K	98.5	Very high	98	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.1	123.4	175.2	-171.7	178	-176.3	-179.8	0	111	E90 A92 S124 E130 D132 S135 A138	E90-K126 PolarHBondContact O-NZ 2.95Å; A92-K126 PolarHBondContact O-N 3.18Å; S124-K126 PolarHBondContact O-N 2.9Å; K126-E130 WeakPolarHBondContact CE-O 3.49Å; K126-E130 HydrophobicContact CG-CB 3.89Å; K126-D132 IonicContact NZ-OD1 2.73Å; K126-D132 PolarHBondContact NZ-OD1 2.73Å; K126-D132 IonicContact NZ-OD2 2.9Å; K126-D132 PolarHBondContact NZ-OD2 3.26Å; K126-S135 WeakPolarHBondContact CD-OG 3.38Å; K126-S135 PolarHBondContact NZ-O 2.75Å; K126-S135 PolarHBondContact NZ-OG 3.15Å; K126-A138 PolarHBondContact O-N 3.33Å
127	T	98.3	Very high	97.9	Very high	65 Å²	65	53.6 Å²	53.6	40%	0.399	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-100.5	169.7	-178.7	67	0	0	0	0	111.9	L125 A129 E130	L125-T127 PolarHBondContact O-N 2.9Å; T127-A129 PolarHBondContact O-N 3.38Å; T127-A129 VanDerWaalsContact O-N 3.12Å; T127-A129 PolarHBondContact OG1-N 3.3Å; T127-E130 PolarHBondContact N-OE2 2.67Å; T127-E130 PolarHBondContact O-N 3.49Å; T127-E130 PolarHBondContact OG1-OE2 2.89Å
128	M	97.3	Very high	97.9	Very high	93 Å²	93	53.6 Å²	53.6	46%	0.458	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-59.1	-22.5	174.3	-169.1	61.9	64	0	0	113.6	E130 A131 L136 Q137	M128-E130 PolarHBondContact O-N 2.81Å; M128-A131 WeakPolarHBondContact O-CB 3.48Å; M128-A131 PolarHBondContact O-N 3.35Å; M128-A131 HydrophobicContact SD-CB 4.22Å; M128-L136 WeakPolarHBondContact CA-O 3.43Å; M128-L136 HydrophobicContact CE-CB 4.09Å; M128-L136 HydrophobicContact SD-CB 4.15Å; M128-Q137 HydrophobicContact CE-CB 4.38Å; M128-Q137 VanDerWaalsContact CE-CD 3.47Å; M128-Q137 HydrophobicContact CE-CG 3.85Å
129	A	97.4	Very high	97.9	Very high	98 Å²	98	56 Å²	56	81%	0.81	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18.5	175.4	0	0	0	0	0	112.7	T127	T127-A129 PolarHBondContact O-N 3.38Å; T127-A129 VanDerWaalsContact O-N 3.12Å; T127-A129 PolarHBondContact OG1-N 3.3Å
130	E	97.3	Very high	97.9	Very high	91 Å²	91	55 Å²	55	43%	0.425	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-107.1	15.7	-179.9	-61.5	159.5	108.9	0	0	111.3	K126 T127 M128 D132	K126-E130 WeakPolarHBondContact CE-O 3.49Å; K126-E130 HydrophobicContact CG-CB 3.89Å; T127-E130 PolarHBondContact N-OE2 2.67Å; T127-E130 PolarHBondContact O-N 3.49Å; T127-E130 PolarHBondContact OG1-OE2 2.89Å; M128-E130 PolarHBondContact O-N 2.81Å; E130-D132 PolarHBondContact O-N 3.26Å
131	A	97.3	Very high	97.9	Very high	45 Å²	45	53 Å²	53	37%	0.372	33%	0.327	S	S	.	.			trans	-58.7	133.9	179.7	0	0	0	0	0	111.6	M128 L136	M128-A131 WeakPolarHBondContact O-CB 3.48Å; M128-A131 PolarHBondContact O-N 3.35Å; M128-A131 HydrophobicContact SD-CB 4.22Å; A131-L136 HydrophobicContact CB-CD2 4.29Å; A131-L136 WeakPolarHBondContact CB-O 3.15Å
132	D	97.4	Very high	97.8	Very high	76 Å²	76	52.1 Å²	52.1	41%	0.406	32%	0.319	S	S	.	.			trans	-146.4	-163.5	178.8	60.2	27.9	0	0	0	110.9	A59 K126 E130 E134 S135	A59-D132 WeakPolarHBondContact CB-O 3.3Å; K126-D132 IonicContact NZ-OD1 2.73Å; K126-D132 PolarHBondContact NZ-OD1 2.73Å; K126-D132 IonicContact NZ-OD2 2.9Å; K126-D132 PolarHBondContact NZ-OD2 3.26Å; E130-D132 PolarHBondContact O-N 3.26Å; D132-E134 VanDerWaalsContact C-N 3.28Å; D132-E134 PolarHBondContact O-N 3.3Å; D132-E134 WeakPolarHBondContact OD1-CA 3.25Å; D132-E134 WeakPolarHBondContact OD1-CB 3.26Å; D132-E134 PolarHBondContact OD1-N 3.35Å; D132-S135 PolarHBondContact N-O 3Å; D132-S135 VanDerWaalsContact N-O 3.09Å; D132-S135 PolarHBondContact OD1-N 3.41Å; D132-S135 VanDerWaalsContact OD1-N 3.15Å
133	A	96.3	Very high	97.6	Very high	79 Å²	79	54.2 Å²	54.2	65%	0.653	32%	0.322	S	S	*	.	S	Bend	trans	-70.7	-20.7	179.6	0	0	0	0	0	113.9
134	E	96.4	Very high	97.3	Very high	72 Å²	72	59 Å²	59	34%	0.336	34%	0.336	S	S	.	.	S	Bend	trans	-80.4	-48.3	-179.6	-55.8	-54.8	151.7	0	0	110.1	E90 E91 D132	E90-E134 HydrophobicContact CB-CB 4.37Å; E90-E134 HydrophobicContact CB-CG 4.16Å; E91-E134 HydrophobicContact CG-CB 4.47Å; D132-E134 VanDerWaalsContact C-N 3.28Å; D132-E134 PolarHBondContact O-N 3.3Å; D132-E134 WeakPolarHBondContact OD1-CA 3.25Å; D132-E134 WeakPolarHBondContact OD1-CB 3.26Å; D132-E134 PolarHBondContact OD1-N 3.35Å
135	S	97.8	Very high	97.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	156	177.5	68	0	0	0	0	112.3	Q57 E91 K126 D132	Q57-S135 WeakPolarHBondContact O-CA 3.36Å; E91-S135 WeakPolarHBondContact CA-OG 3.13Å; E91-S135 WeakPolarHBondContact O-CB 3.36Å; E91-S135 PolarHBondContact O-OG 2.86Å; K126-S135 WeakPolarHBondContact CD-OG 3.38Å; K126-S135 PolarHBondContact NZ-O 2.75Å; K126-S135 PolarHBondContact NZ-OG 3.15Å; D132-S135 PolarHBondContact N-O 3Å; D132-S135 VanDerWaalsContact N-O 3.09Å; D132-S135 PolarHBondContact OD1-N 3.41Å; D132-S135 VanDerWaalsContact OD1-N 3.15Å
136	L	98.4	Very high	96.8	Very high	15 Å²	15	61.7 Å²	61.7	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-38.6	175.9	-60.3	-179.1	0	0	0	112.3	Q57 A59 Y64 K65 M128 A131	Q57-L136 HydrophobicContact CB-CB 4.3Å; Q57-L136 HydrophobicContact CG-CB 4.4Å; Q57-L136 HydrophobicContact CG-CD1 4.23Å; Q57-L136 PolarHBondContact O-N 2.86Å; A59-L136 HydrophobicContact CB-CD2 3.92Å; A59-L136 HydrophobicContact CB-CG 4.12Å; Y64-L136 HydrophobicContact CD2-CD1 4.41Å; Y64-L136 HydrophobicContact CE2-CD1 3.82Å; Y64-L136 HydrophobicContact CE2-CD2 4.12Å; Y64-L136 HydrophobicContact CE2-CG 4.43Å; K65-L136 HydrophobicContact CG-CD1 3.72Å; M128-L136 WeakPolarHBondContact CA-O 3.43Å; M128-L136 HydrophobicContact CE-CB 4.09Å; M128-L136 HydrophobicContact SD-CB 4.15Å; A131-L136 HydrophobicContact CB-CD2 4.29Å; A131-L136 WeakPolarHBondContact CB-O 3.15Å
137	Q	98.6	Very high	96.7	Very high	48 Å²	48	63.1 Å²	63.1	22%	0.224	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	171	-179.4	56.1	179.7	-22.8	0	0	109.8	Q57 W67 M128	Q57-Q137 HydrophobicContact CB-CG 3.92Å; Q57-Q137 PolarHBondContact N-O 3.33Å; W67-Q137 HydrophobicContact CH2-CG 3.83Å; W67-Q137 HydrophobicContact CZ2-CG 4.42Å; M128-Q137 HydrophobicContact CE-CB 4.38Å; M128-Q137 VanDerWaalsContact CE-CD 3.47Å; M128-Q137 HydrophobicContact CE-CG 3.85Å
138	A	98.6	Very high	96.6	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.033	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.3	166.7	0	0	0	0	0	111.5	L54 M55 V56 A92 L125 K126	L54-A138 HydrophobicContact CD1-CB 4.15Å; M55-A138 CarbonylContact O-C 3.56Å; M55-A138 WeakPolarHBondContact O-CA 2.66Å; M55-A138 WeakPolarHBondContact O-CB 3.43Å; V56-A138 HydrophobicContact CG1-CB 4.13Å; A92-A138 HydrophobicContact CB-CB 3.76Å; L125-A138 HydrophobicContact CD1-CB 3.59Å; L125-A138 HydrophobicContact CG-CB 4.34Å; K126-A138 PolarHBondContact O-N 3.33Å
139	Q	98.4	Very high	96.6	Very high	53 Å²	53	62 Å²	62	25%	0.248	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.4	174.6	79.9	-172.5	-19.9	0	0	112	M55 W67	M55-Q139 HydrophobicContact CB-CG 4.38Å; M55-Q139 PolarHBondContact N-O 2.97Å; M55-Q139 PolarHBondContact O-N 3.02Å; W67-Q139 VanDerWaalsContact CE2-NE2 3.29Å; W67-Q139 HydrophobicContact CE3-CG 4.08Å; W67-Q139 HydrophobicContact CH2-CB 3.9Å; W67-Q139 HydrophobicContact CH2-CG 3.52Å; W67-Q139 VanDerWaalsContact CH2-NE2 3.25Å; W67-Q139 HydrophobicContact CZ2-CG 4.31Å; W67-Q139 HydrophobicContact CZ3-CB 3.99Å; W67-Q139 HydrophobicContact CZ3-CG 3.4Å
140	W	98.6	Very high	96.5	Very high	64 Å²	64	62.3 Å²	62.3	24%	0.242	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.6	167	-64.3	106.6	0	0	0	109.6	I46 N48 E52 V53 L54 F94 I120	I46-W140 HydrophobicContact CG2-CH2 3.91Å; I46-W140 HydrophobicContact CG2-CZ3 4.26Å; N48-W140 HydrophobicContact CB-CD2 3.88Å; N48-W140 HydrophobicContact CB-CE3 3.73Å; N48-W140 HydrophobicContact CB-CH2 3.83Å; N48-W140 HydrophobicContact CB-CZ2 3.97Å; N48-W140 HydrophobicContact CB-CZ3 3.71Å; N48-W140 VanDerWaalsContact N-CZ3 3.32Å; E52-W140 HydrophobicContact CB-CB 3.82Å; E52-W140 WeakPolarHBondContact OE2-CB 3.34Å; V53-W140 WeakPolarHBondContact O-CA 3.2Å; L54-W140 HydrophobicContact CB-CE3 4.12Å; L54-W140 HydrophobicContact CB-CH2 4.09Å; L54-W140 HydrophobicContact CB-CZ3 3.68Å; L54-W140 HydrophobicContact CD1-CH2 4.48Å; L54-W140 HydrophobicContact CD1-CZ2 4.44Å; F94-W140 HydrophobicContact CE2-CZ2 4.05Å; F94-W140 HydrophobicContact CZ-CZ2 4.2Å; I120-W140 HydrophobicContact CD1-CH2 3.55Å; I120-W140 HydrophobicContact CD1-CZ2 3.53Å
141	W	98.4	Very high	96.4	Very high	17 Å²	17	58.9 Å²	58.9	6%	0.064	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.3	-178.7	-178.4	41	0	0	0	111	E52 V53 M55 Q143 S145 L147 L149 L155 I158	E52-W141 CarbonylContact C-O 3.57Å; E52-W141 WeakPolarHBondContact CA-O 3.42Å; E52-W141 WeakPolarHBondContact CB-O 3.29Å; V53-W141 HydrophobicContact CG1-CB 4.03Å; V53-W141 HydrophobicContact CG1-CD2 4.41Å; V53-W141 HydrophobicContact CG1-CE3 3.71Å; V53-W141 PolarHBondContact N-O 2.9Å; V53-W141 PolarHBondContact O-N 2.87Å; M55-W141 HydrophobicContact CB-CB 4.46Å; M55-W141 HydrophobicContact CE-CE3 4.19Å; M55-W141 HydrophobicContact CG-CB 3.5Å; M55-W141 VanDerWaalsContact CG-CB 3.5Å; M55-W141 HydrophobicContact CG-CD2 4.35Å; M55-W141 HydrophobicContact CG-CE3 4Å; M55-W141 HydrophobicContact CG-CG 4.22Å; M55-W141 HydrophobicContact SD-CE3 3.89Å; W141-Q143 HydrophobicContact CE3-CG 4.26Å; W141-Q143 HydrophobicContact CZ3-CG 4.39Å; W141-Q143 PolarHBondContact O-N 3.13Å; W141-S145 PolarHBondContact NE1-O 2.79Å; W141-L147 HydrophobicContact CB-CD1 3.9Å; W141-L147 VanDerWaalsContact CD1-CD1 3.48Å; W141-L147 HydrophobicContact CD2-CD1 3.64Å; W141-L147 HydrophobicContact CD2-CG 4.36Å; W141-L147 HydrophobicContact CE3-CD1 4.37Å; W141-L147 HydrophobicContact CG-CD1 3.39Å; W141-L147 HydrophobicContact CG-CG 4.18Å; W141-L149 HydrophobicContact CH2-CD1 4.14Å; W141-L149 HydrophobicContact CH2-CD2 4.25Å; W141-L149 HydrophobicContact CZ3-CD2 4.29Å; W141-L155 HydrophobicContact CH2-CD2 4.01Å; W141-L155 HydrophobicContact CZ3-CD2 4.23Å; W141-I158 HydrophobicContact CZ3-CD1 4.28Å
142	D	96.5	Very high	96.4	Very high	62 Å²	62	66.4 Å²	66.4	33%	0.332	35%	0.349	S	S	.	.			trans	-70.4	-7.4	177.4	58.1	12	0	0	0	114.3	E52 D144 S145	E52-D142 HydrophobicContact CG-CB 4.33Å; D142-D144 PolarHBondContact O-N 2.92Å; D142-D144 PolarHBondContact OD1-N 3.4Å; D142-S145 VanDerWaalsContact OD1-CB 3.23Å; D142-S145 WeakPolarHBondContact OD1-CB 3.49Å; D142-S145 PolarHBondContact OD1-N 3.03Å; D142-S145 PolarHBondContact OD1-OG 2.89Å; D142-S145 WeakPolarHBondContact OD2-CB 3.34Å; D142-S145 PolarHBondContact OD2-OG 3.08Å
143	Q	93.8	Very high	96.3	Very high	70 Å²	70	65.7 Å²	65.7	33%	0.327	35%	0.345	S	S	.	.	S	Bend	trans	74.9	-2	-174.6	-53	164.7	63.3	0	0	114.8	N51 V53 W141	N51-Q143 PolarHBondContact O-NE2 2.91Å; V53-Q143 HydrophobicContact CG1-CG 4.09Å; W141-Q143 HydrophobicContact CE3-CG 4.26Å; W141-Q143 HydrophobicContact CZ3-CG 4.39Å; W141-Q143 PolarHBondContact O-N 3.13Å
144	D	92.5	Very high	96.4	Very high	149 Å²	149	61.9 Å²	61.9	80%	0.797	31%	0.314	S	S	*	.	S	Bend	trans	-111.1	-40.2	-178.9	-70	-37	0	0	0	111.8	D142	D142-D144 PolarHBondContact O-N 2.92Å; D142-D144 PolarHBondContact OD1-N 3.4Å
145	S	93.1	Very high	96.4	Very high	56 Å²	56	62.2 Å²	62.2	39%	0.392	32%	0.317	S	S	.	.	S	Bend	trans	-60.4	137.9	178.3	-74.2	0	0	0	0	110.5	W141 D142 L147	W141-S145 PolarHBondContact NE1-O 2.79Å; D142-S145 VanDerWaalsContact OD1-CB 3.23Å; D142-S145 WeakPolarHBondContact OD1-CB 3.49Å; D142-S145 PolarHBondContact OD1-N 3.03Å; D142-S145 PolarHBondContact OD1-OG 2.89Å; D142-S145 WeakPolarHBondContact OD2-CB 3.34Å; D142-S145 PolarHBondContact OD2-OG 3.08Å; S145-L147 PolarHBondContact O-N 2.8Å; S145-L147 VanDerWaalsContact O-N 3.16Å
146	P	92.9	Very high	96.4	Very high	129 Å²	129	67.5 Å²	67.5	84%	0.838	34%	0.337	S	S	*	.			trans	-68.7	118.2	-175.4	26.8	-33.8	0	0	0	111.1
147	L	94.4	Very high	96.3	Very high	39 Å²	39	66.8 Å²	66.8	20%	0.204	33%	0.333	C	S	.	.			trans	-119.9	138.9	168	-65	-174.4	0	0	0	111.2	M55 W67 W141 S145 L149	M55-L147 HydrophobicContact CG-CD1 4.34Å; W67-L147 HydrophobicContact CB-CB 4.37Å; W67-L147 HydrophobicContact CB-CD1 4.24Å; W67-L147 HydrophobicContact CD2-CD1 4.28Å; W67-L147 HydrophobicContact CD2-CD2 4.48Å; W67-L147 HydrophobicContact CG-CB 4.29Å; W67-L147 HydrophobicContact CG-CD1 4.07Å; W67-L147 HydrophobicContact CG-CD2 4.36Å; W67-L147 HydrophobicContact CG-CG 4.49Å; W141-L147 HydrophobicContact CB-CD1 3.9Å; W141-L147 VanDerWaalsContact CD1-CD1 3.48Å; W141-L147 HydrophobicContact CD2-CD1 3.64Å; W141-L147 HydrophobicContact CD2-CG 4.36Å; W141-L147 HydrophobicContact CE3-CD1 4.37Å; W141-L147 HydrophobicContact CG-CD1 3.39Å; W141-L147 HydrophobicContact CG-CG 4.18Å; S145-L147 PolarHBondContact O-N 2.8Å; S145-L147 VanDerWaalsContact O-N 3.16Å; L147-L149 HydrophobicContact CB-CD2 3.94Å; L147-L149 PolarHBondContact O-N 3.3Å
148	T	96.4	Very high	96.3	Very high	99 Å²	99	64.6 Å²	64.6	61%	0.607	32%	0.323	S	S	*	.			trans	-75.9	88.9	170.4	-50.6	0	0	0	0	109	Q66 W67	Q66-T148 CarbonylContact C-O 3.59Å; Q66-T148 WeakPolarHBondContact CA-O 3.32Å; Q66-T148 HydrophobicContact CG-CG2 4.29Å; W67-T148 PolarHBondContact N-O 2.68Å
149	L	97.3	Very high	96.3	Very high	34 Å²	34	67.5 Å²	67.5	18%	0.178	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-70.6	140	-178.5	-56.4	-177.3	0	0	0	111.7	M55 W67 W141 L147 G151 I154 L155	M55-L149 HydrophobicContact CE-CD2 4.02Å; W67-L149 HydrophobicContact CB-CD2 4.23Å; W67-L149 CarbonylContact O-C 3.57Å; W67-L149 WeakPolarHBondContact O-CA 3.23Å; W141-L149 HydrophobicContact CH2-CD1 4.14Å; W141-L149 HydrophobicContact CH2-CD2 4.25Å; W141-L149 HydrophobicContact CZ3-CD2 4.29Å; L147-L149 HydrophobicContact CB-CD2 3.94Å; L147-L149 PolarHBondContact O-N 3.3Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-I154 HydrophobicContact CD1-CD1 4.34Å; L149-I154 HydrophobicContact CD2-CD1 4.17Å; L149-L155 HydrophobicContact CD1-CD2 4.07Å; L149-L155 HydrophobicContact CD1-CG 4.48Å
150	R	97.1	Very high	96.3	Very high	105 Å²	105	65.8 Å²	65.8	40%	0.396	33%	0.332	S	S	.	.	S	Bend	trans	-64.4	-38.9	172.5	172.1	-177.8	173.7	-168.4	-3.4	111.8	E58 C63 Q66 W67 Y68	E58-R150 WeakPolarHBondContact OE1-CD 3.16Å; E58-R150 IonicContact OE1-CZ 2.65Å; E58-R150 IonicContact OE1-NE 3.78Å; E58-R150 IonicContact OE1-NH1 3.63Å; E58-R150 PolarHBondContact OE1-NH1 2.62Å; E58-R150 IonicContact OE2-NH1 2.73Å; C63-R150 HydrophobicContact CB-CG 3.83Å; Q66-R150 HydrophobicContact CB-CB 3.79Å; W67-R150 PolarHBondContact O-N 3.06Å; Y68-R150 HydrophobicContact CD2-CB 3.8Å; Y68-R150 HydrophobicContact CD2-CG 4.28Å; Y68-R150 HydrophobicContact CG-CB 4.34Å
151	G	95.3	Very high	96.3	Very high	19 Å²	19	62.8 Å²	62.8	20%	0.196	32%	0.32	C	S	.	.			trans	-152.6	146.8	176.5	0	0	0	0	0	110.2	L149 D153 I154	L149-G151 VanDerWaalsContact C-N 3.32Å; G151-D153 VanDerWaalsContact C-N 3.31Å; G151-I154 WeakPolarHBondContact O-CG1 3.26Å
152	R	95.8	Very high	96.2	Very high	204 Å²	204	63.4 Å²	63.4	77%	0.77	33%	0.325	S	S	*	.	S	Bend	trans	-85.4	-4.1	177.6	-71.7	-174.6	172.9	175.8	-2.3	113.4	I154 L155	R152-I154 PolarHBondContact O-N 3.02Å; R152-L155 HydrophobicContact CB-CD1 4.21Å; R152-L155 HydrophobicContact CG-CD1 4.4Å; R152-L155 WeakPolarHBondContact O-CB 3.33Å; R152-L155 WeakPolarHBondContact O-CG 3.11Å; R152-L155 PolarHBondContact O-N 2.85Å; R152-L155 VanDerWaalsContact O-N 3.16Å
153	D	96.1	Very high	96.3	Very high	60 Å²	60	66 Å²	66	32%	0.321	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.8	178.6	67.3	-49.9	0	0	0	112.3	Y68 R113 G151 L155 R156	Y68-D153 WeakPolarHBondContact CE2-OD1 3.48Å; Y68-D153 VanDerWaalsContact OH-CG 3.23Å; Y68-D153 PolarHBondContact OH-OD1 2.96Å; Y68-D153 PolarHBondContact OH-OD2 3.18Å; R113-D153 IonicContact CZ-OD2 2.97Å; R113-D153 VanDerWaalsContact CZ-OD2 3.3Å; R113-D153 IonicContact NH1-OD2 2.92Å; R113-D153 PolarHBondContact NH1-OD2 3.07Å; R113-D153 IonicContact NH2-OD2 3.91Å; R113-D153 PolarHBondContact NH2-OD2 2.71Å; G151-D153 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 2.84Å; D153-R156 PolarHBondContact O-N 2.95Å
154	I	97.3	Very high	96.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-25.3	175.2	63	176.7	0	0	0	113.7	M55 Y68 L69 L149 G151 R152 R156 L157 I158	M55-I154 HydrophobicContact CE-CD1 3.61Å; Y68-I154 HydrophobicContact CD1-CG2 4.24Å; Y68-I154 HydrophobicContact CD2-CD1 4.21Å; Y68-I154 HydrophobicContact CD2-CG2 3.6Å; Y68-I154 HydrophobicContact CE1-CG2 3.81Å; Y68-I154 HydrophobicContact CE2-CB 4.42Å; Y68-I154 HydrophobicContact CE2-CG2 3.14Å; Y68-I154 HydrophobicContact CG-CG2 4.14Å; L69-I154 HydrophobicContact CB-CG2 4.43Å; L69-I154 HydrophobicContact CD1-CB 3.83Å; L69-I154 HydrophobicContact CD1-CG2 3.86Å; L69-I154 HydrophobicContact CG-CB 4Å; L69-I154 HydrophobicContact CG-CG2 3.96Å; L149-I154 HydrophobicContact CD1-CD1 4.34Å; L149-I154 HydrophobicContact CD2-CD1 4.17Å; G151-I154 WeakPolarHBondContact O-CG1 3.26Å; R152-I154 PolarHBondContact O-N 3.02Å; I154-R156 PolarHBondContact O-N 2.71Å; I154-L157 WeakPolarHBondContact O-CA 3.27Å; I154-L157 WeakPolarHBondContact O-CB 3.48Å; I154-L157 PolarHBondContact O-N 3.49Å; I154-I158 HydrophobicContact CB-CD1 4.47Å; I154-I158 HydrophobicContact CG1-CD1 4.4Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.36Å; I154-I158 PolarHBondContact O-N 2.87Å
155	L	97.3	Very high	96.7	Very high	78 Å²	78	61.1 Å²	61.1	41%	0.408	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-38.4	-179	-60.9	179.6	0	0	0	110.8	W141 L149 R152 D153 D159	W141-L155 HydrophobicContact CH2-CD2 4.01Å; W141-L155 HydrophobicContact CZ3-CD2 4.23Å; L149-L155 HydrophobicContact CD1-CD2 4.07Å; L149-L155 HydrophobicContact CD1-CG 4.48Å; R152-L155 HydrophobicContact CB-CD1 4.21Å; R152-L155 HydrophobicContact CG-CD1 4.4Å; R152-L155 WeakPolarHBondContact O-CB 3.33Å; R152-L155 WeakPolarHBondContact O-CG 3.11Å; R152-L155 PolarHBondContact O-N 2.85Å; R152-L155 VanDerWaalsContact O-N 3.16Å; D153-L155 PolarHBondContact O-N 2.84Å; L155-D159 WeakPolarHBondContact O-CB 3.45Å; L155-D159 PolarHBondContact O-N 2.8Å
156	R	96.8	Very high	96.9	Very high	112 Å²	112	66.1 Å²	66.1	42%	0.423	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-36	173.8	-178.7	177.5	173.1	-174	-3.1	111.9	D153 I154 T160 H318	D153-R156 PolarHBondContact O-N 2.95Å; I154-R156 PolarHBondContact O-N 2.71Å; R156-T160 VanDerWaalsContact O-CB 3.32Å; R156-T160 WeakPolarHBondContact O-CB 3.47Å; R156-T160 PolarHBondContact O-N 2.89Å; R156-T160 PolarHBondContact O-OG1 2.9Å; R156-H318 PolarHBondContact NH1-CD2 3Å; R156-H318 VanDerWaalsContact NH1-CD2 3.29Å; R156-H318 PolarHBondContact NH1-CE1 2.92Å; R156-H318 PolarHBondContact NH1-ND1 3.28Å; R156-H318 PolarHBondContact NH1-NE2 3.32Å; R156-H318 PolarHBondContact NH2-CD2 3.43Å; R156-H318 VanDerWaalsContact NH2-CD2 3.35Å
157	L	98.3	Very high	97.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-46.8	178.2	-53.8	-170.2	0	0	0	110.6	V45 L69 L103 V115 I154 T160 A161	V45-L157 HydrophobicContact CG2-CB 4.38Å; L69-L157 HydrophobicContact CD1-CB 4.04Å; L69-L157 HydrophobicContact CD1-CD1 4.1Å; L103-L157 HydrophobicContact CD2-CD2 3.6Å; V115-L157 HydrophobicContact CG1-CB 4.06Å; V115-L157 HydrophobicContact CG1-CD1 4.29Å; V115-L157 HydrophobicContact CG1-CD2 4.28Å; V115-L157 HydrophobicContact CG1-CG 4.44Å; V115-L157 HydrophobicContact CG2-CD1 4.07Å; V115-L157 HydrophobicContact CG2-CD2 3.85Å; V115-L157 HydrophobicContact CG2-CG 4.49Å; I154-L157 WeakPolarHBondContact O-CA 3.27Å; I154-L157 WeakPolarHBondContact O-CB 3.48Å; I154-L157 PolarHBondContact O-N 3.49Å; L157-T160 PolarHBondContact O-N 2.77Å; L157-A161 WeakPolarHBondContact O-CB 3.16Å; L157-A161 PolarHBondContact O-N 2.79Å
158	I	98.5	Very high	97.3	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-49.2	177	-64	164.2	0	0	0	110.5	V45 F47 V53 L69 W141 I154 T160 A161 L162	V45-I158 HydrophobicContact CG1-CG1 4.41Å; F47-I158 HydrophobicContact CE1-CG2 4.13Å; F47-I158 HydrophobicContact CZ-CG2 4.12Å; V53-I158 HydrophobicContact CG1-CD1 4.2Å; V53-I158 HydrophobicContact CG2-CD1 4.35Å; V53-I158 HydrophobicContact CG2-CG1 4.21Å; L69-I158 HydrophobicContact CD1-CG1 4.27Å; L69-I158 HydrophobicContact CD2-CD1 4.17Å; L69-I158 HydrophobicContact CD2-CG1 4.01Å; W141-I158 HydrophobicContact CZ3-CD1 4.28Å; I154-I158 HydrophobicContact CB-CD1 4.47Å; I154-I158 HydrophobicContact CG1-CD1 4.4Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.36Å; I154-I158 PolarHBondContact O-N 2.87Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 PolarHBondContact O-N 2.98Å; I158-A161 PolarHBondContact O-N 2.97Å; I158-L162 VanDerWaalsContact O-CB 3.32Å; I158-L162 WeakPolarHBondContact O-CB 3.48Å; I158-L162 PolarHBondContact O-N 3.08Å
159	D	97.8	Very high	97.3	Very high	66 Å²	66	69.1 Å²	69.1	35%	0.353	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-42.2	177.4	174	63.7	0	0	0	112.1	L155 L162 K163	L155-D159 WeakPolarHBondContact O-CB 3.45Å; L155-D159 PolarHBondContact O-N 2.8Å; D159-L162 PolarHBondContact O-N 3.26Å; D159-K163 WeakPolarHBondContact O-CB 3.06Å; D159-K163 VanDerWaalsContact O-CG 3.3Å; D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 2.9Å; D159-K163 VanDerWaalsContact OD1-CE 3.32Å; D159-K163 WeakPolarHBondContact OD1-CE 3.42Å; D159-K163 IonicContact OD1-NZ 3.56Å; D159-K163 WeakPolarHBondContact OD2-CE 3.41Å; D159-K163 IonicContact OD2-NZ 2.81Å; D159-K163 PolarHBondContact OD2-NZ 3.39Å
160	T	98	Very high	97.3	Very high	17 Å²	17	67.9 Å²	67.9	10%	0.104	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-46.7	178.1	-56.4	0	0	0	0	111.2	V102 L103 R156 L157 I158 L162 K163 Y164 W169	V102-T160 HydrophobicContact CB-CG2 4.34Å; L103-T160 HydrophobicContact CB-CG2 4.4Å; R156-T160 VanDerWaalsContact O-CB 3.32Å; R156-T160 WeakPolarHBondContact O-CB 3.47Å; R156-T160 PolarHBondContact O-N 2.89Å; R156-T160 PolarHBondContact O-OG1 2.9Å; L157-T160 PolarHBondContact O-N 2.77Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 PolarHBondContact O-N 2.98Å; T160-L162 PolarHBondContact O-N 3.1Å; T160-K163 PolarHBondContact O-N 3.06Å; T160-Y164 PolarHBondContact O-N 2.89Å; T160-W169 HydrophobicContact CG2-CH2 3.81Å; T160-W169 HydrophobicContact CG2-CZ2 4.34Å
161	A	98.4	Very high	97.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-40.1	176.2	0	0	0	0	0	112.3	V45 F47 V102 L117 L157 I158 Y164 R165	V45-A161 HydrophobicContact CB-CB 3.72Å; V45-A161 HydrophobicContact CG1-CB 3.63Å; V45-A161 HydrophobicContact CG2-CB 3.98Å; F47-A161 HydrophobicContact CE2-CB 4.11Å; F47-A161 HydrophobicContact CZ-CB 4.48Å; V102-A161 HydrophobicContact CG2-CB 4.24Å; L117-A161 HydrophobicContact CD1-CB 4.35Å; L157-A161 WeakPolarHBondContact O-CB 3.16Å; L157-A161 PolarHBondContact O-N 2.79Å; I158-A161 PolarHBondContact O-N 2.97Å; A161-Y164 PolarHBondContact O-N 2.86Å; A161-R165 WeakPolarHBondContact O-CB 3.46Å; A161-R165 PolarHBondContact O-N 2.97Å
162	L	97.4	Very high	97.4	Very high	31 Å²	31	69 Å²	69	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-42.7	177.2	-176.3	62.1	0	0	0	111.7	F47 I158 D159 T160 Y164 R165 K166	F47-L162 HydrophobicContact CE1-CD1 4.49Å; F47-L162 HydrophobicContact CZ-CB 4.01Å; F47-L162 HydrophobicContact CZ-CD1 4.33Å; I158-L162 VanDerWaalsContact O-CB 3.32Å; I158-L162 WeakPolarHBondContact O-CB 3.48Å; I158-L162 PolarHBondContact O-N 3.08Å; D159-L162 PolarHBondContact O-N 3.26Å; T160-L162 PolarHBondContact O-N 3.1Å; L162-Y164 VanDerWaalsContact C-N 3.3Å; L162-Y164 PolarHBondContact O-N 2.91Å; L162-R165 PolarHBondContact O-N 3.34Å; L162-K166 HydrophobicContact CG-CD 4.37Å; L162-K166 WeakPolarHBondContact O-CG 3.41Å; L162-K166 PolarHBondContact O-N 2.99Å
163	K	97.6	Very high	97.4	Very high	115 Å²	115	59.6 Å²	59.6	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-44.6	173	-77.6	168.7	176.5	165.9	0	110.8	D159 T160 K166 K167 W169	D159-K163 WeakPolarHBondContact O-CB 3.06Å; D159-K163 VanDerWaalsContact O-CG 3.3Å; D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 2.9Å; D159-K163 VanDerWaalsContact OD1-CE 3.32Å; D159-K163 WeakPolarHBondContact OD1-CE 3.42Å; D159-K163 IonicContact OD1-NZ 3.56Å; D159-K163 WeakPolarHBondContact OD2-CE 3.41Å; D159-K163 IonicContact OD2-NZ 2.81Å; D159-K163 PolarHBondContact OD2-NZ 3.39Å; T160-K163 PolarHBondContact O-N 3.06Å; K163-K166 PolarHBondContact O-N 3.44Å; K163-K167 PolarHBondContact O-N 3.24Å; K163-W169 HydrophobicContact CB-CZ3 4.11Å
164	Y	98.3	Very high	97.4	Very high	12 Å²	12	60.5 Å²	60.5	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-46.9	-179.8	-173.5	-85.4	0	0	0	110.5	T100 V102 L117 T160 A161 L162 K166 K167 P168 W169 H170	T100-Y164 HydrophobicContact CG2-CD1 3.8Å; T100-Y164 HydrophobicContact CG2-CD2 4.45Å; T100-Y164 HydrophobicContact CG2-CE1 3.34Å; T100-Y164 HydrophobicContact CG2-CE2 4.06Å; T100-Y164 HydrophobicContact CG2-CG 4.33Å; T100-Y164 VanDerWaalsContact CG2-CZ 3.48Å; V102-Y164 HydrophobicContact CG1-CD1 4.35Å; V102-Y164 HydrophobicContact CG1-CD2 4.44Å; V102-Y164 HydrophobicContact CG1-CG 3.99Å; L117-Y164 HydrophobicContact CD2-CD1 3.84Å; T160-Y164 PolarHBondContact O-N 2.89Å; A161-Y164 PolarHBondContact O-N 2.86Å; L162-Y164 VanDerWaalsContact C-N 3.3Å; L162-Y164 PolarHBondContact O-N 2.91Å; Y164-K166 VanDerWaalsContact C-N 3.27Å; Y164-K166 PolarHBondContact O-N 2.96Å; Y164-K167 CarbonylContact O-C 3.44Å; Y164-K167 PolarHBondContact O-N 3Å; Y164-P168 HydrophobicContact CD2-CB 4.44Å; Y164-P168 HydrophobicContact CE1-CB 4.12Å; Y164-P168 HydrophobicContact CE1-CG 4.17Å; Y164-P168 HydrophobicContact CE2-CB 3.95Å; Y164-P168 WeakPolarHBondContact O-CA 3.36Å; Y164-P168 WeakPolarHBondContact O-CD 3.26Å; Y164-P168 WeakPolarHBondContact O-CG 3.32Å; Y164-W169 VanDerWaalsContact CB-CZ3 3.44Å; Y164-W169 HydrophobicContact CD2-CD2 4.33Å; Y164-W169 AromaticContact CD2-CE3 3.96Å; Y164-W169 HydrophobicContact CD2-CE3 3.96Å; Y164-W169 HydrophobicContact CD2-CH2 4.01Å; Y164-W169 HydrophobicContact CD2-CZ2 4.36Å; Y164-W169 AromaticContact CD2-CZ3 3.85Å; Y164-W169 HydrophobicContact CD2-CZ3 3.85Å; Y164-W169 HydrophobicContact CG-CH2 4.41Å; Y164-W169 HydrophobicContact CG-CZ3 4.14Å; Y164-H170 AromaticContact CD2-CE1 4Å; Y164-H170 AromaticContact CD2-NE2 3.75Å; Y164-H170 AromaticContact CE2-CD2 3.96Å; Y164-H170 AromaticContact CE2-CE1 3.38Å; Y164-H170 WeakPolarHBondContact CE2-CE1 3.38Å; Y164-H170 AromaticContact CE2-CG 3.98Å; Y164-H170 AromaticContact CE2-ND1 3.65Å; Y164-H170 AromaticContact CE2-NE2 3.58Å; Y164-H170 WeakPolarHBondContact CE2-O 3.41Å; Y164-H170 PolarHBondContact OH-O 3.14Å
165	R	97.1	Very high	97.4	Very high	105 Å²	105	61.6 Å²	61.6	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-37.9	178.2	-171.9	178.7	179.6	-152.2	0.2	112.4	N51 L117 A161 L162	N51-R165 PolarHBondContact OD1-NH1 3.41Å; L117-R165 HydrophobicContact CD2-CB 4.15Å; A161-R165 WeakPolarHBondContact O-CB 3.46Å; A161-R165 PolarHBondContact O-N 2.97Å; L162-R165 PolarHBondContact O-N 3.34Å
166	K	97.2	Very high	97.3	Very high	162 Å²	162	60.5 Å²	60.5	70%	0.704	29%	0.289	S	S	*	.	H	α-helix	trans	-74.1	-42.3	177.3	-73.7	176.8	179.5	176.3	0	112.7	L162 K163 Y164	L162-K166 HydrophobicContact CG-CD 4.37Å; L162-K166 WeakPolarHBondContact O-CG 3.41Å; L162-K166 PolarHBondContact O-N 2.99Å; K163-K166 PolarHBondContact O-N 3.44Å; Y164-K166 VanDerWaalsContact C-N 3.27Å; Y164-K166 PolarHBondContact O-N 2.96Å
167	K	97.8	Very high	97.3	Very high	166 Å²	166	59.1 Å²	59.1	72%	0.722	29%	0.29	S	S	*	.	S	Bend	trans	-152.1	95.1	-177.5	-173.3	178.4	178.2	-178.2	0	109.5	K163 Y164 W169	K163-K167 PolarHBondContact O-N 3.24Å; Y164-K167 CarbonylContact O-C 3.44Å; Y164-K167 PolarHBondContact O-N 3Å; K167-W169 PolarHBondContact O-N 3.45Å
168	P	97.8	Very high	97.1	Very high	81 Å²	81	61.5 Å²	61.5	53%	0.526	30%	0.302	S	S	.	.			trans	-57	127.4	174.4	-26.5	35.6	0	0	0	110.5	Y164	Y164-P168 HydrophobicContact CD2-CB 4.44Å; Y164-P168 HydrophobicContact CE1-CB 4.12Å; Y164-P168 HydrophobicContact CE1-CG 4.17Å; Y164-P168 HydrophobicContact CE2-CB 3.95Å; Y164-P168 WeakPolarHBondContact O-CA 3.36Å; Y164-P168 WeakPolarHBondContact O-CD 3.26Å; Y164-P168 WeakPolarHBondContact O-CG 3.32Å
169	W	97	Very high	96.8	Very high	82 Å²	82	64.6 Å²	64.6	31%	0.311	32%	0.323	S	S	.	.			trans	-105.2	-20.3	177	68.5	89.9	0	0	0	112.7	T160 K163 Y164 K167 S313 F314 P316	T160-W169 HydrophobicContact CG2-CH2 3.81Å; T160-W169 HydrophobicContact CG2-CZ2 4.34Å; K163-W169 HydrophobicContact CB-CZ3 4.11Å; Y164-W169 VanDerWaalsContact CB-CZ3 3.44Å; Y164-W169 HydrophobicContact CD2-CD2 4.33Å; Y164-W169 AromaticContact CD2-CE3 3.96Å; Y164-W169 HydrophobicContact CD2-CE3 3.96Å; Y164-W169 HydrophobicContact CD2-CH2 4.01Å; Y164-W169 HydrophobicContact CD2-CZ2 4.36Å; Y164-W169 AromaticContact CD2-CZ3 3.85Å; Y164-W169 HydrophobicContact CD2-CZ3 3.85Å; Y164-W169 HydrophobicContact CG-CH2 4.41Å; Y164-W169 HydrophobicContact CG-CZ3 4.14Å; K167-W169 PolarHBondContact O-N 3.45Å; W169-S313 VanDerWaalsContact O-CA 3.27Å; W169-S313 WeakPolarHBondContact O-CA 3.5Å; W169-S313 VanDerWaalsContact O-CB 3.3Å; W169-S313 WeakPolarHBondContact O-CB 3.42Å; W169-S313 PolarHBondContact O-OG 3.45Å; W169-F314 PolarHBondContact NE1-O 2.92Å; W169-P316 HydrophobicContact CZ2-CG 4.26Å
170	H	97.4	Very high	96.6	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.037	31%	0.308	C	S	.	.	S	Bend	trans	-121.6	156.2	170.4	68.7	72.7	0	0	0	110.1	L101 Y164 S313 F314	L101-H170 PolarHBondContact O-CE1 2.99Å; L101-H170 PolarHBondContact O-NE2 3.22Å; Y164-H170 AromaticContact CD2-CE1 4Å; Y164-H170 AromaticContact CD2-NE2 3.75Å; Y164-H170 AromaticContact CE2-CD2 3.96Å; Y164-H170 AromaticContact CE2-CE1 3.38Å; Y164-H170 WeakPolarHBondContact CE2-CE1 3.38Å; Y164-H170 AromaticContact CE2-CG 3.98Å; Y164-H170 AromaticContact CE2-ND1 3.65Å; Y164-H170 AromaticContact CE2-NE2 3.58Å; Y164-H170 WeakPolarHBondContact CE2-O 3.41Å; Y164-H170 PolarHBondContact OH-O 3.14Å; H170-S313 WeakPolarHBondContact CA-OG 3.37Å; H170-F314 PolarHBondContact CD2-O 3.2Å; H170-F314 VanDerWaalsContact CD2-O 3.31Å
171	P	96.4	Very high	96.4	Very high	64 Å²	64	63 Å²	63	42%	0.416	31%	0.313	S	S	.	.			trans	-65	163.1	171.4	-4.1	15.1	0	0	0	111.1	A173 R308	P171-A173 PolarHBondContact O-N 2.93Å; P171-R308 VanDerWaalsContact CG-CZ 3.48Å
172	V	97.1	Very high	96.3	Very high	83 Å²	83	63.1 Å²	63.1	50%	0.503	31%	0.313	S	S	.	.			trans	-52.2	124.1	175.9	173.7	0	0	0	0	110.7	I99 H174	I99-V172 WeakPolarHBondContact O-CG1 3.5Å; V172-H174 VanDerWaalsContact CG1-CD2 3.49Å; V172-H174 WeakPolarHBondContact CG1-CD2 3.44Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.27Å
173	A	96.1	Very high	96.3	Very high	8 Å²	8	61.7 Å²	61.7	7%	0.066	31%	0.306	C	S	.	.			trans	-115.4	101.9	-179.9	0	0	0	0	0	109.2	T100 L101 P171 L315	T100-A173 PolarHBondContact OG1-N 2.9Å; T100-A173 PolarHBondContact OG1-O 3.26Å; L101-A173 HydrophobicContact CB-CB 4.41Å; L101-A173 WeakPolarHBondContact CB-O 3.36Å; L101-A173 PolarHBondContact N-O 3.1Å; P171-A173 PolarHBondContact O-N 2.93Å; A173-L315 HydrophobicContact CB-CD2 4.32Å
174	H	95.6	Very high	96.2	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.361	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-103.8	144.3	171.1	-66.7	-48.3	0	0	0	110.2	P98 I99 V172 I176	P98-H174 PolarHBondContact O-CE1 3.43Å; I99-H174 PolarHBondContact O-CE1 3.46Å; I99-H174 VanDerWaalsContact O-CE1 3.24Å; V172-H174 VanDerWaalsContact CG1-CD2 3.49Å; V172-H174 WeakPolarHBondContact CG1-CD2 3.44Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.27Å; H174-I176 PolarHBondContact O-N 3.13Å
175	P	96.6	Very high	96.2	Very high	23 Å²	23	55.7 Å²	55.7	15%	0.149	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-54.5	128.2	167.1	-25.4	34.9	0	0	0	111.1	I80 V81 L101 F116 L250	I80-P175 HydrophobicContact CB-CB 4.48Å; I80-P175 HydrophobicContact CB-CG 4.09Å; I80-P175 HydrophobicContact CD1-CB 4.2Å; I80-P175 HydrophobicContact CD1-CG 4.2Å; I80-P175 HydrophobicContact CG2-CG 4.16Å; V81-P175 HydrophobicContact CG2-CG 4.14Å; L101-P175 HydrophobicContact CD1-CG 4.13Å; F116-P175 HydrophobicContact CE1-CG 4.41Å; F116-P175 HydrophobicContact CZ-CG 4.04Å; P175-L250 HydrophobicContact CB-CD1 3.6Å; P175-L250 HydrophobicContact CG-CD1 3.96Å
176	I	96.8	Very high	96.2	Very high	55 Å²	55	51 Å²	51	28%	0.282	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-88.2	132	174.6	-54.2	-58.9	0	0	0	108.9	H174 M178 L250 Q251 H252	H174-I176 PolarHBondContact O-N 3.13Å; I176-M178 VanDerWaalsContact C-N 3.33Å; I176-M178 HydrophobicContact CG2-CG 3.93Å; I176-M178 HydrophobicContact CG2-SD 3.93Å; I176-M178 PolarHBondContact O-N 3.31Å; I176-L250 PolarHBondContact N-O 3.16Å; I176-Q251 HydrophobicContact CB-CG 4.18Å; I176-Q251 WeakPolarHBondContact O-CA 3.38Å; I176-H252 PolarHBondContact O-N 2.9Å
177	D	95.3	Very high	96.3	Very high	83 Å²	83	43.2 Å²	43.2	44%	0.444	23%	0.229	S	C	.	.			trans	-77	81.8	-177.1	-166.2	-8.5	0	0	0	111	N253 R255	D177-N253 WeakPolarHBondContact OD1-CB 3.21Å; D177-N253 VanDerWaalsContact OD1-CG 3.31Å; D177-N253 PolarHBondContact OD1-ND2 2.77Å; D177-R255 IonicContact OD1-CZ 2.93Å; D177-R255 IonicContact OD1-NH1 3.22Å; D177-R255 PolarHBondContact OD1-NH1 2.86Å; D177-R255 IonicContact OD2-CZ 3.94Å; D177-R255 VanDerWaalsContact OD2-CZ 3.22Å; D177-R255 IonicContact OD2-NH1 2.8Å; D177-R255 PolarHBondContact OD2-NH1 2.83Å; D177-R255 IonicContact OD2-NH2 3.9Å; D177-R255 PolarHBondContact OD2-NH2 2.95Å
178	M	95.4	Very high	96.3	Very high	51 Å²	51	35.4 Å²	35.4	25%	0.251	20%	0.195	S	C	.	.			trans	-141.1	141.2	179.7	-70.1	179.8	81.9	0	0	110.4	L16 E17 I176 Q251 H252 N253	L16-M178 WeakPolarHBondContact O-CE 3.47Å; E17-M178 HydrophobicContact CB-CE 4.41Å; I176-M178 VanDerWaalsContact C-N 3.33Å; I176-M178 HydrophobicContact CG2-CG 3.93Å; I176-M178 HydrophobicContact CG2-SD 3.93Å; I176-M178 PolarHBondContact O-N 3.31Å; M178-Q251 HydrophobicContact CB-CB 4.13Å; M178-Q251 HydrophobicContact CB-CG 4.18Å; M178-Q251 HydrophobicContact SD-CG 4.27Å; M178-H252 CarbonylContact O-C 3.58Å; M178-H252 VanDerWaalsContact O-C 3.28Å; M178-H252 PolarHBondContact O-N 2.97Å; M178-N253 PolarHBondContact O-N 2.99Å
179	C	91.4	Very high	96.3	Very high	67 Å²	67	31.6 Å²	31.6	45%	0.453	17%	0.17	S	C	.	.			trans	-72.4	143.2	-176.8	-60.2	0	0	0	0	112.2	T260	C179-T260 HydrophobicContact CB-CG2 4.06Å
180	C	93.3	Very high	96.4	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.034	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.5	163.7	-167.4	0	0	0	0	107.3	V182 T260 G262	C180-V182 PolarHBondContact SG-O 3.34Å; C180-T260 CarbonylContact O-C 3.52Å; C180-T260 VanDerWaalsContact O-CA 3.27Å; C180-T260 WeakPolarHBondContact O-CA 3.48Å; C180-G262 WeakPolarHBondContact O-CA 3.49Å; C180-G262 PolarHBondContact O-N 3.31Å
181	H	94.6	Very high	96.3	Very high	43 Å²	43	27.7 Å²	27.7	20%	0.199	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-7.7	-178.4	66.6	-85.3	0	0	0	112.6	D20 F22 A31 V32 K259	D20-H181 IonicContact OD1-CE1 3.09Å; D20-H181 PolarHBondContact OD1-CE1 3.04Å; D20-H181 IonicContact OD1-ND1 3.74Å; D20-H181 PolarHBondContact OD1-ND1 3.15Å; D20-H181 IonicContact OD1-NE2 2.74Å; F22-H181 AromaticContact CZ-CE1 3.76Å; F22-H181 AromaticContact CZ-NE2 3.96Å; A31-H181 CarbonylContact C-O 3.5Å; A31-H181 WeakPolarHBondContact CA-O 3.46Å; A31-H181 HydrophobicContact CB-CB 4.26Å; A31-H181 WeakPolarHBondContact CB-O 3.21Å; V32-H181 PolarHBondContact N-O 3.09Å; H181-K259 WeakPolarHBondContact CA-O 3.39Å; H181-K259 WeakPolarHBondContact CB-O 3.35Å
182	V	95.8	Very high	96.1	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	168.8	178.6	-76.5	0	0	0	0	111.4	F22 V29 Q30 C180 V184 G262 L263	F22-V182 HydrophobicContact CE1-CG2 3.9Å; F22-V182 HydrophobicContact CE2-CG2 4.21Å; F22-V182 HydrophobicContact CZ-CG2 3.45Å; F22-V182 VanDerWaalsContact CZ-CG2 3.45Å; V29-V182 HydrophobicContact CG1-CG1 3.65Å; Q30-V182 WeakPolarHBondContact O-CG1 3.36Å; C180-V182 PolarHBondContact SG-O 3.34Å; V182-V184 HydrophobicContact CB-CG1 4.47Å; V182-V184 HydrophobicContact CG2-CG1 3.58Å; V182-G262 CarbonylContact O-C 3.56Å; V182-G262 VanDerWaalsContact O-CA 3.25Å; V182-G262 WeakPolarHBondContact O-CA 3.43Å; V182-L263 PolarHBondContact O-N 2.94Å
183	V	96.9	Very high	95.7	Very high	2 Å²	2	24 Å²	24	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.3	169.6	-176.4	0	0	0	0	109	V32 I38 P109 I112 S215 V221 L263 F265	V32-V183 HydrophobicContact CG1-CG2 4.4Å; I38-V183 HydrophobicContact CD1-CG2 3.32Å; P109-V183 HydrophobicContact CB-CB 3.88Å; P109-V183 HydrophobicContact CB-CG1 4.08Å; P109-V183 HydrophobicContact CB-CG2 4.04Å; I112-V183 HydrophobicContact CD1-CG1 4.42Å; V183-S215 PolarHBondContact O-N 3.4Å; V183-V221 HydrophobicContact CG1-CG1 4.32Å; V183-L263 CarbonylContact C-O 3.42Å; V183-L263 WeakPolarHBondContact CA-O 3.5Å; V183-L263 HydrophobicContact CG2-CB 4.46Å; V183-F265 HydrophobicContact CG1-CE2 4.34Å
184	V	97.4	Very high	95	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.7	-176.7	-67.6	0	0	0	0	112.3	V18 F22 V182 V212 A213 V214 L263 C264 F265	V18-V184 HydrophobicContact CG1-CG2 4.2Å; V18-V184 HydrophobicContact CG2-CG2 4.33Å; F22-V184 HydrophobicContact CD1-CG1 3.98Å; F22-V184 HydrophobicContact CE1-CG1 3.68Å; F22-V184 HydrophobicContact CZ-CG1 4.47Å; V182-V184 HydrophobicContact CB-CG1 4.47Å; V182-V184 HydrophobicContact CG2-CG1 3.58Å; V184-V212 HydrophobicContact CB-CG1 3.75Å; V184-V212 HydrophobicContact CG1-CG1 4.04Å; V184-V212 HydrophobicContact CG2-CG1 3.98Å; V184-A213 CarbonylContact C-O 3.58Å; V184-A213 VanDerWaalsContact CA-O 3.26Å; V184-A213 WeakPolarHBondContact CA-O 3.36Å; V184-A213 WeakPolarHBondContact CB-O 3.42Å; V184-V214 HydrophobicContact CG1-CB 4.43Å; V184-V214 HydrophobicContact CG1-CG2 3.99Å; V184-L263 PolarHBondContact N-O 3.48Å; V184-C264 HydrophobicContact CG2-CB 3.62Å; V184-F265 PolarHBondContact O-N 2.97Å
185	Q	97.4	Very high	94.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.1	167.2	-53.8	-67.8	-54.2	0	0	108.2	L187 V212 A213 V221 A224 F265 T267	Q185-L187 HydrophobicContact CB-CD2 3.59Å; Q185-L187 HydrophobicContact CB-CG 4.46Å; Q185-V212 WeakPolarHBondContact O-CA 3.39Å; Q185-A213 PolarHBondContact N-O 2.87Å; Q185-A213 PolarHBondContact O-N 2.82Å; Q185-V221 VanDerWaalsContact CG-O 3.29Å; Q185-V221 WeakPolarHBondContact CG-O 3.33Å; Q185-V221 PolarHBondContact NE2-O 2.79Å; Q185-A224 HydrophobicContact CB-CB 4.41Å; Q185-A224 HydrophobicContact CG-CB 3.86Å; Q185-F265 CarbonylContact C-O 3.56Å; Q185-T267 PolarHBondContact OE1-OG1 3Å
186	R	97.7	Very high	93.9	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	161.9	-179.4	-179.1	-60.9	116.2	-2.7	108.3	L10 L16 E17 V18 L210 P211 V212 C264 F265 N266 T267	L10-R186 HydrophobicContact CD2-CG 4.44Å; L16-R186 VanDerWaalsContact C-NH2 3.29Å; L16-R186 PolarHBondContact O-NH2 2.73Å; E17-R186 PolarHBondContact O-NH2 2.92Å; V18-R186 VanDerWaalsContact CG2-NH2 3.26Å; R186-L210 HydrophobicContact CG-CB 4.02Å; R186-P211 WeakPolarHBondContact CA-O 3.3Å; R186-V212 HydrophobicContact CB-CG2 4.34Å; R186-V212 HydrophobicContact CG-CG2 4.3Å; R186-C264 PolarHBondContact NH1-SG 3.32Å; R186-F265 PolarHBondContact N-O 3.32Å; R186-N266 PolarHBondContact NH1-OD1 2.85Å; R186-T267 PolarHBondContact O-N 3.16Å
187	L	98.1	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.2	-168.7	-54.2	-177.4	0	0	0	111.3	Q185 L189 P211 A225 L228 T267 V269	Q185-L187 HydrophobicContact CB-CD2 3.59Å; Q185-L187 HydrophobicContact CB-CG 4.46Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CB-CB 4.22Å; L187-L189 HydrophobicContact CD1-CD1 4.37Å; L187-L189 PolarHBondContact O-N 2.69Å; L187-P211 PolarHBondContact N-O 2.71Å; L187-A225 HydrophobicContact CD1-CB 4.05Å; L187-A225 HydrophobicContact CD2-CB 4.14Å; L187-L228 HydrophobicContact CD1-CB 4.25Å; L187-L228 HydrophobicContact CD1-CD1 3.95Å; L187-L228 HydrophobicContact CD1-CD2 4.17Å; L187-L228 HydrophobicContact CD1-CG 4.35Å; L187-T267 WeakPolarHBondContact CA-O 3.46Å; L187-V269 HydrophobicContact CD2-CG2 4.01Å
188	L	98.1	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	80.8	152.3	-175.1	66.6	0	0	0	107	V7 L11 T190 L200 L210 L248 T267 V268 V269 I305	V7-L188 HydrophobicContact CG1-CD1 3.88Å; V7-L188 HydrophobicContact CG1-CD2 4.43Å; V7-L188 HydrophobicContact CG2-CD1 3.94Å; L11-L188 HydrophobicContact CD2-CD2 4.34Å; L188-T190 HydrophobicContact CG-CG2 4.24Å; L188-L200 HydrophobicContact CD1-CD1 4.12Å; L188-L200 HydrophobicContact CD1-CD2 3.78Å; L188-L210 HydrophobicContact CD1-CD2 4.06Å; L188-L248 HydrophobicContact CD2-CD1 4.11Å; L188-T267 PolarHBondContact N-O 2.7Å; L188-V268 HydrophobicContact CB-CG2 4.29Å; L188-V268 HydrophobicContact CD2-CG2 4.14Å; L188-V269 PolarHBondContact O-N 2.76Å; L188-I305 HydrophobicContact CD2-CG2 4.36Å
189	L	98.4	Very high	93.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.2	-178	-166.2	151.2	0	0	0	110.1	L187 L200 L201 V229 V269 L271 W293	L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CB-CB 4.22Å; L187-L189 HydrophobicContact CD1-CD1 4.37Å; L187-L189 PolarHBondContact O-N 2.69Å; L189-L200 WeakPolarHBondContact O-CA 3.49Å; L189-L201 HydrophobicContact CB-CB 4.19Å; L189-L201 HydrophobicContact CD1-CD2 4.16Å; L189-L201 HydrophobicContact CD2-CB 3.67Å; L189-L201 HydrophobicContact CD2-CD2 4.08Å; L189-L201 HydrophobicContact CG-CB 4.4Å; L189-L201 PolarHBondContact O-N 2.77Å; L189-V229 HydrophobicContact CD1-CG2 3.54Å; L189-V269 CarbonylContact C-O 3.58Å; L189-V269 WeakPolarHBondContact CA-O 3.32Å; L189-V269 HydrophobicContact CB-CB 4.42Å; L189-V269 HydrophobicContact CD1-CB 4.37Å; L189-V269 HydrophobicContact CD1-CG1 4.16Å; L189-V269 HydrophobicContact CG-CB 4.12Å; L189-V269 HydrophobicContact CG-CG1 4.18Å; L189-L271 HydrophobicContact CD2-CB 4.21Å; L189-L271 HydrophobicContact CD2-CD2 4.47Å; L189-W293 HydrophobicContact CD2-CH2 4Å; L189-W293 HydrophobicContact CD2-CZ3 4.39Å
190	T	97.9	Very high	94.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.6	-170.8	67.5	0	0	0	0	111.7	L188 L198 W199 L200 V269 L271 I305 I309	L188-T190 HydrophobicContact CG-CG2 4.24Å; T190-L198 HydrophobicContact CG2-CD1 4.42Å; T190-W199 CarbonylContact C-O 3.49Å; T190-W199 VanDerWaalsContact CA-O 3.31Å; T190-W199 WeakPolarHBondContact CA-O 3.42Å; T190-L200 HydrophobicContact CG2-CD2 3.8Å; T190-V269 PolarHBondContact N-O 2.95Å; T190-V269 PolarHBondContact OG1-O 2.65Å; T190-L271 PolarHBondContact O-N 3.45Å; T190-I305 HydrophobicContact CG2-CG2 4.01Å; T190-I309 HydrophobicContact CG2-CD1 4.04Å
191	F	96.4	Very high	94.4	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.2	162	175.8	-88.8	0	0	0	108.7	W199 L271 H273 P283 P284 W293	F191-W199 HydrophobicContact CB-CB 4.38Å; F191-W199 AromaticContact CD1-CD1 3.97Å; F191-W199 PolarHBondContact N-O 2.92Å; F191-W199 PolarHBondContact O-N 3.29Å; F191-L271 HydrophobicContact CD2-CB 4.5Å; F191-L271 WeakPolarHBondContact CD2-O 3.34Å; F191-H273 AromaticContact CE2-CD2 3.96Å; F191-P283 HydrophobicContact CB-CB 4.37Å; F191-P283 HydrophobicContact CD1-CB 3.6Å; F191-P283 VanDerWaalsContact CE1-CA 3.47Å; F191-P283 HydrophobicContact CE1-CB 4.01Å; F191-P283 HydrophobicContact CG-CB 3.97Å; F191-P284 HydrophobicContact CE2-CG 4.45Å; F191-W293 HydrophobicContact CB-CH2 3.71Å; F191-W293 HydrophobicContact CB-CZ2 4.46Å; F191-W293 HydrophobicContact CB-CZ3 3.88Å
192	S	92.9	Very high	94.5	Very high	60 Å²	60	17.9 Å²	17.9	42%	0.42	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.8	176.1	-64.1	0	0	0	0	109.2	V197 L198	S192-V197 WeakPolarHBondContact CA-O 2.99Å; S192-L198 WeakPolarHBondContact OG-CD1 3.18Å
193	S	87.4	Confident	94.6	Very high	10 Å²	10	17.7 Å²	17.7	7%	0.07	11%	0.111	C	C	.	.			trans	-80	164.4	171.8	52	0	0	0	0	111.5	D195 G196 V197 T280	S193-D195 WeakPolarHBondContact CB-OD1 3.37Å; S193-D195 PolarHBondContact O-N 3.4Å; S193-D195 PolarHBondContact OG-OD1 3.03Å; S193-G196 PolarHBondContact O-N 2.87Å; S193-V197 PolarHBondContact N-O 3.35Å; S193-V197 VanDerWaalsContact OG-CB 3.3Å; S193-V197 WeakPolarHBondContact OG-CB 3.03Å; S193-V197 PolarHBondContact OG-N 3.46Å; S193-V197 PolarHBondContact OG-O 2.84Å; S193-V197 VanDerWaalsContact OG-O 3.1Å; S193-T280 WeakPolarHBondContact CB-O 3.33Å
194	S	82.6	Confident	94.4	Very high	73 Å²	73	20.7 Å²	20.7	51%	0.51	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.8	179.7	39.2	0	0	0	0	114.9	G196 H279	S194-G196 PolarHBondContact O-N 3.5Å; S194-H279 VanDerWaalsContact OG-CB 3.26Å; S194-H279 WeakPolarHBondContact OG-CB 3.28Å; S194-H279 PolarHBondContact OG-O 3.07Å
195	D	83.8	Confident	93.9	Very high	97 Å²	97	23.9 Å²	23.9	52%	0.519	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.4	176.4	62.1	-7.9	0	0	0	113	S193	S193-D195 WeakPolarHBondContact CB-OD1 3.37Å; S193-D195 PolarHBondContact O-N 3.4Å; S193-D195 PolarHBondContact OG-OD1 3.03Å
196	G	84.1	Confident	93.1	Very high	34 Å²	34	30.6 Å²	30.6	35%	0.351	17%	0.172	S	C	.	.	S	Bend	trans	82.8	9.3	174.1	0	0	0	0	0	114.6	S193 S194	S193-G196 PolarHBondContact O-N 2.87Å; S194-G196 PolarHBondContact O-N 3.5Å
197	V	92.6	Very high	92.7	Very high	29 Å²	29	35.4 Å²	35.4	18%	0.176	20%	0.198	C	C	.	.			trans	-73	130.1	171.7	-173.3	0	0	0	0	109.4	S192 S193 W199 K295	S192-V197 WeakPolarHBondContact CA-O 2.99Å; S193-V197 PolarHBondContact N-O 3.35Å; S193-V197 VanDerWaalsContact OG-CB 3.3Å; S193-V197 WeakPolarHBondContact OG-CB 3.03Å; S193-V197 PolarHBondContact OG-N 3.46Å; S193-V197 PolarHBondContact OG-O 2.84Å; S193-V197 VanDerWaalsContact OG-O 3.1Å; V197-W199 HydrophobicContact CG1-CZ2 4.04Å; V197-K295 HydrophobicContact CG1-CD 3.86Å; V197-K295 HydrophobicContact CG1-CG 3.76Å
198	L	95.9	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.1	177.7	-177.6	68	0	0	0	110	T190 S192 V296 R302 I305 Q306	T190-L198 HydrophobicContact CG2-CD1 4.42Å; S192-L198 WeakPolarHBondContact OG-CD1 3.18Å; L198-V296 HydrophobicContact CB-CB 4.38Å; L198-V296 HydrophobicContact CB-CG2 4.39Å; L198-V296 HydrophobicContact CD2-CB 4.38Å; L198-V296 HydrophobicContact CD2-CG2 4.03Å; L198-V296 HydrophobicContact CG-CG2 4.05Å; L198-V296 PolarHBondContact O-N 3.19Å; L198-R302 HydrophobicContact CB-CG 3.76Å; L198-R302 HydrophobicContact CD2-CB 4.37Å; L198-R302 HydrophobicContact CD2-CG 3.91Å; L198-I305 HydrophobicContact CD2-CB 3.8Å; L198-I305 HydrophobicContact CD2-CD1 3.74Å; L198-I305 HydrophobicContact CD2-CG1 4.39Å; L198-I305 HydrophobicContact CD2-CG2 3.81Å; L198-Q306 HydrophobicContact CD2-CG 4.49Å
199	W	97.4	Very high	92.4	Very high	50 Å²	50	39.6 Å²	39.6	19%	0.189	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.7	178	-58.1	84.9	0	0	0	110.3	T190 F191 V197 P283 W293 Y294 K295	T190-W199 CarbonylContact C-O 3.49Å; T190-W199 VanDerWaalsContact CA-O 3.31Å; T190-W199 WeakPolarHBondContact CA-O 3.42Å; F191-W199 HydrophobicContact CB-CB 4.38Å; F191-W199 AromaticContact CD1-CD1 3.97Å; F191-W199 PolarHBondContact N-O 2.92Å; F191-W199 PolarHBondContact O-N 3.29Å; V197-W199 HydrophobicContact CG1-CZ2 4.04Å; W199-P283 HydrophobicContact CD2-CG 3.99Å; W199-P283 HydrophobicContact CE3-CG 4.28Å; W199-P283 HydrophobicContact CG-CB 4.41Å; W199-P283 HydrophobicContact CG-CG 4.13Å; W199-W293 HydrophobicContact CB-CD2 4.49Å; W199-W293 HydrophobicContact CB-CE3 3.73Å; W199-W293 HydrophobicContact CB-CZ3 4.13Å; W199-W293 HydrophobicContact CE3-CB 3.96Å; W199-W293 HydrophobicContact CZ3-CB 4.44Å; W199-Y294 CarbonylContact C-O 3.59Å; W199-Y294 WeakPolarHBondContact CA-O 3.3Å; W199-K295 HydrophobicContact CD2-CB 4.3Å; W199-K295 HydrophobicContact CD2-CG 4.44Å; W199-K295 HydrophobicContact CE3-CB 3.71Å; W199-K295 HydrophobicContact CE3-CG 4.31Å; W199-K295 HydrophobicContact CH2-CB 3.91Å; W199-K295 HydrophobicContact CH2-CD 3.85Å; W199-K295 HydrophobicContact CH2-CG 4.12Å; W199-K295 HydrophobicContact CZ2-CB 4.44Å; W199-K295 HydrophobicContact CZ2-CD 3.95Å; W199-K295 HydrophobicContact CZ2-CG 4.21Å; W199-K295 HydrophobicContact CZ3-CB 3.52Å; W199-K295 HydrophobicContact CZ3-CD 4.35Å; W199-K295 HydrophobicContact CZ3-CG 4.19Å
200	L	98.1	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.8	171.8	-56.5	-179.8	0	0	0	109.5	V3 V7 L188 L189 T190 L202 W293 Y294 V296 I305	V3-L200 HydrophobicContact CG1-CD1 4.45Å; V7-L200 HydrophobicContact CG2-CD1 3.77Å; L188-L200 HydrophobicContact CD1-CD1 4.12Å; L188-L200 HydrophobicContact CD1-CD2 3.78Å; L189-L200 WeakPolarHBondContact O-CA 3.49Å; T190-L200 HydrophobicContact CG2-CD2 3.8Å; L200-L202 HydrophobicContact CB-CD2 4.1Å; L200-L202 HydrophobicContact CB-CG 4.49Å; L200-W293 VanDerWaalsContact C-CE3 3.46Å; L200-Y294 HydrophobicContact CD1-CD1 4.45Å; L200-Y294 PolarHBondContact N-O 2.83Å; L200-Y294 PolarHBondContact O-N 2.79Å; L200-V296 HydrophobicContact CD1-CG2 3.86Å; L200-V296 HydrophobicContact CD2-CG2 4.25Å; L200-V296 HydrophobicContact CG-CG2 3.61Å; L200-I305 HydrophobicContact CD2-CD1 4.44Å
201	L	98.3	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.1	168	-174.9	70.7	0	0	0	108.1	L189 P211 L228 A232 M233 I286 F291 W293	L189-L201 HydrophobicContact CB-CB 4.19Å; L189-L201 HydrophobicContact CD1-CD2 4.16Å; L189-L201 HydrophobicContact CD2-CB 3.67Å; L189-L201 HydrophobicContact CD2-CD2 4.08Å; L189-L201 HydrophobicContact CG-CB 4.4Å; L189-L201 PolarHBondContact O-N 2.77Å; L201-P211 WeakPolarHBondContact O-CD 3.37Å; L201-P211 WeakPolarHBondContact O-CG 3.31Å; L201-L228 HydrophobicContact CD2-CD2 3.68Å; L201-A232 HydrophobicContact CD2-CB 4.25Å; L201-M233 HydrophobicContact CD1-CE 4.29Å; L201-M233 HydrophobicContact CD2-CE 4.35Å; L201-I286 HydrophobicContact CD1-CD1 3.38Å; L201-I286 HydrophobicContact CD1-CG1 4.04Å; L201-F291 HydrophobicContact CD1-CB 3.95Å; L201-F291 HydrophobicContact CG-CD1 4.45Å; L201-W293 HydrophobicContact CB-CE3 4.11Å; L201-W293 HydrophobicContact CB-CH2 4.01Å; L201-W293 HydrophobicContact CB-CZ3 3.7Å; L201-W293 HydrophobicContact CD1-CD2 4.3Å; L201-W293 HydrophobicContact CD1-CE3 4.44Å; L201-W293 HydrophobicContact CD1-CH2 4.46Å; L201-W293 HydrophobicContact CD1-CZ2 4.32Å; L201-W293 VanDerWaalsContact N-CZ3 3.33Å
202	L	97.9	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	179.9	-58.7	-174.3	0	0	0	111.4	V3 L200 L208 H209 L210 F291 Q292 Y294	V3-L202 HydrophobicContact CB-CD1 4.37Å; V3-L202 HydrophobicContact CG1-CD1 3.83Å; V3-L202 HydrophobicContact CG1-CD2 4.12Å; V3-L202 HydrophobicContact CG2-CD1 3.61Å; L200-L202 HydrophobicContact CB-CD2 4.1Å; L200-L202 HydrophobicContact CB-CG 4.49Å; L202-L208 HydrophobicContact CB-CD2 3.59Å; L202-L208 HydrophobicContact CD1-CB 4.41Å; L202-L208 HydrophobicContact CD1-CD2 3.61Å; L202-L208 HydrophobicContact CD1-CG 4.42Å; L202-L208 HydrophobicContact CG-CD2 4.27Å; L202-H209 CarbonylContact C-O 3.59Å; L202-H209 WeakPolarHBondContact CA-O 3.27Å; L202-H209 WeakPolarHBondContact CB-O 3.4Å; L202-L210 HydrophobicContact CD2-CD2 3.94Å; L202-F291 VanDerWaalsContact O-CA 3.26Å; L202-F291 WeakPolarHBondContact O-CA 3.48Å; L202-Q292 PolarHBondContact N-O 2.77Å; L202-Q292 PolarHBondContact O-N 2.6Å; L202-Y294 HydrophobicContact CD1-CD1 4.35Å; L202-Y294 HydrophobicContact CD1-CD2 4.06Å; L202-Y294 HydrophobicContact CD1-CG 3.68Å
203	G	96.8	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	148.6	168.2	0	0	0	0	0	110.4	D23 L208 H209 R290	D23-G203 WeakPolarHBondContact OD1-CA 3.13Å; G203-L208 WeakPolarHBondContact O-CA 3.47Å; G203-H209 VanDerWaalsContact C-CE1 3.47Å; G203-H209 PolarHBondContact N-O 2.97Å; G203-H209 PolarHBondContact O-N 2.81Å; G203-H209 VanDerWaalsContact O-N 3.16Å; G203-H209 PolarHBondContact O-ND1 2.87Å; G203-R290 CarbonylContact C-O 3.22Å
204	N	93.2	Very high	93	Very high	65 Å²	65	37.5 Å²	37.5	35%	0.348	20%	0.203	S	C	.	.			trans	-141.4	36	-174.7	-166.4	36.7	0	0	0	111.9	R290 Q292	N204-R290 WeakPolarHBondContact CA-O 3.26Å; N204-R290 PolarHBondContact N-O 3.37Å; N204-Q292 PolarHBondContact OD1-NE2 2.85Å
205	I	85.9	Confident	93.5	Very high	67 Å²	67	34.5 Å²	34.5	34%	0.344	18%	0.182	S	C	.	.	S	Bend	trans	-68.8	-43.4	177.5	-63.7	176.1	0	0	0	111.1
206	K	82.2	Confident	93.7	Very high	142 Å²	142	32 Å²	32	62%	0.617	17%	0.17	S	C	*	.	S	Bend	trans	-127.1	-57.2	176.1	-75.3	-174.5	179.3	151.1	0	111.8	E21	E21-K206 VanDerWaalsContact CD-CE 3.42Å; E21-K206 WeakPolarHBondContact OE1-CE 3.33Å; E21-K206 IonicContact OE1-NZ 3.77Å; E21-K206 PolarHBondContact OE1-NZ 2.85Å; E21-K206 WeakPolarHBondContact OE2-CD 3.33Å; E21-K206 WeakPolarHBondContact OE2-CE 3.44Å; E21-K206 IonicContact OE2-NZ 2.86Å; E21-K206 PolarHBondContact OE2-NZ 3.23Å
207	D	88.7	Confident	93.6	Very high	105 Å²	105	35.9 Å²	35.9	56%	0.561	18%	0.178	S	C	*	.	S	Bend	trans	-128.5	162.7	177.4	-71.4	-59.2	0	0	0	109.1	H209	D207-H209 PolarHBondContact O-N 3.06Å; D207-H209 PolarHBondContact O-ND1 3.46Å
208	L	93.6	Very high	93	Very high	51 Å²	51	40 Å²	40	27%	0.267	20%	0.203	S	C	.	.			trans	-63.6	120.1	169.8	-89	177.6	0	0	0	111.3	V3 L202 G203 Q292	V3-L208 HydrophobicContact CG2-CB 4.14Å; L202-L208 HydrophobicContact CB-CD2 3.59Å; L202-L208 HydrophobicContact CD1-CB 4.41Å; L202-L208 HydrophobicContact CD1-CD2 3.61Å; L202-L208 HydrophobicContact CD1-CG 4.42Å; L202-L208 HydrophobicContact CG-CD2 4.27Å; G203-L208 WeakPolarHBondContact O-CA 3.47Å; L208-Q292 HydrophobicContact CD2-CG 3.51Å; L208-Q292 VanDerWaalsContact CG-NE2 3.3Å
209	H	95.4	Very high	92.6	Very high	38 Å²	38	43.3 Å²	43.3	18%	0.176	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-148.3	166.2	-178.8	64.2	-73.5	0	0	0	112.1	M1 D23 L202 G203 D207	M1-H209 HydrophobicContact SD-CB 3.99Å; D23-H209 IonicContact OD1-CE1 3.63Å; D23-H209 PolarHBondContact OD1-CE1 2.93Å; D23-H209 IonicContact OD1-NE2 3.68Å; D23-H209 PolarHBondContact OD1-NE2 2.76Å; D23-H209 IonicContact OD2-CD2 2.76Å; D23-H209 IonicContact OD2-NE2 2.95Å; D23-H209 PolarHBondContact OD2-NE2 3.28Å; L202-H209 CarbonylContact C-O 3.59Å; L202-H209 WeakPolarHBondContact CA-O 3.27Å; L202-H209 WeakPolarHBondContact CB-O 3.4Å; G203-H209 VanDerWaalsContact C-CE1 3.47Å; G203-H209 PolarHBondContact N-O 2.97Å; G203-H209 PolarHBondContact O-N 2.81Å; G203-H209 VanDerWaalsContact O-N 3.16Å; G203-H209 PolarHBondContact O-ND1 2.87Å; D207-H209 PolarHBondContact O-N 3.06Å; D207-H209 PolarHBondContact O-ND1 3.46Å
210	L	97	Very high	92.2	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.052	22%	0.218	C	C	.	.			trans	-72.1	124.8	171.3	-66.5	171.7	0	0	0	109.2	D6 V7 L10 L16 R186 L188 L202	D6-L210 HydrophobicContact CB-CD1 4.48Å; V7-L210 HydrophobicContact CG2-CD1 4.44Å; V7-L210 HydrophobicContact CG2-CD2 4.06Å; L10-L210 HydrophobicContact CD1-CD1 3.9Å; L10-L210 HydrophobicContact CD2-CD1 3.4Å; L10-L210 VanDerWaalsContact CD2-CD1 3.4Å; L10-L210 HydrophobicContact CG-CD1 4.24Å; L16-L210 HydrophobicContact CD1-CD1 4.41Å; R186-L210 HydrophobicContact CG-CB 4.02Å; L188-L210 HydrophobicContact CD1-CD2 4.06Å; L202-L210 HydrophobicContact CD2-CD2 3.94Å
211	P	97.4	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.			trans	-62.7	142.6	-171.9	-17.2	26	0	0	0	112.6	D23 R186 L187 L201 L228 F291	D23-P211 HydrophobicContact CB-CB 4.17Å; D23-P211 WeakPolarHBondContact OD2-CA 3.44Å; R186-P211 WeakPolarHBondContact CA-O 3.3Å; L187-P211 PolarHBondContact N-O 2.71Å; L201-P211 WeakPolarHBondContact O-CD 3.37Å; L201-P211 WeakPolarHBondContact O-CG 3.31Å; P211-L228 HydrophobicContact CB-CD1 3.54Å; P211-L228 HydrophobicContact CB-CD2 4.36Å; P211-F291 HydrophobicContact CB-CE1 4.35Å
212	V	97.1	Very high	91.5	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.6	176.1	-174.3	0	0	0	0	109.7	V18 F22 D23 S24 V184 Q185 R186	V18-V212 HydrophobicContact CG1-CG1 4.38Å; F22-V212 HydrophobicContact CD1-CB 4.45Å; F22-V212 HydrophobicContact CD1-CG1 3.84Å; F22-V212 HydrophobicContact CE1-CG1 4.32Å; D23-V212 PolarHBondContact N-O 3.16Å; D23-V212 PolarHBondContact OD2-N 3.22Å; S24-V212 PolarHBondContact N-O 2.82Å; V184-V212 HydrophobicContact CB-CG1 3.75Å; V184-V212 HydrophobicContact CG1-CG1 4.04Å; V184-V212 HydrophobicContact CG2-CG1 3.98Å; Q185-V212 WeakPolarHBondContact O-CA 3.39Å; R186-V212 HydrophobicContact CB-CG2 4.34Å; R186-V212 HydrophobicContact CG-CG2 4.3Å
213	A	97.3	Very high	91.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.8	-179.9	0	0	0	0	0	111.3	S24 V184 Q185 A224 L228	S24-A213 CarbonylContact O-C 3.53Å; S24-A213 WeakPolarHBondContact O-CA 3.44Å; V184-A213 CarbonylContact C-O 3.58Å; V184-A213 VanDerWaalsContact CA-O 3.26Å; V184-A213 WeakPolarHBondContact CA-O 3.36Å; V184-A213 WeakPolarHBondContact CB-O 3.42Å; Q185-A213 PolarHBondContact N-O 2.87Å; Q185-A213 PolarHBondContact O-N 2.82Å; A213-A224 HydrophobicContact CB-CB 3.75Å; A213-L228 HydrophobicContact CB-CB 4.31Å; A213-L228 HydrophobicContact CB-CD1 3.95Å
214	V	97.1	Very high	91.1	Very high	14 Å²	14	48 Å²	48	9%	0.085	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.8	177.4	-179	0	0	0	0	110.3	F22 S24 A25 V184	F22-V214 HydrophobicContact CB-CG2 3.93Å; F22-V214 HydrophobicContact CD1-CG2 3.84Å; F22-V214 HydrophobicContact CD2-CG2 3.69Å; F22-V214 HydrophobicContact CE1-CG2 4.29Å; F22-V214 HydrophobicContact CE2-CG2 4.16Å; F22-V214 HydrophobicContact CG-CG2 3.51Å; F22-V214 HydrophobicContact CZ-CG2 4.44Å; S24-V214 PolarHBondContact O-N 2.85Å; A25-V214 HydrophobicContact CB-CB 4.18Å; A25-V214 HydrophobicContact CB-CG2 3.68Å; V184-V214 HydrophobicContact CG1-CB 4.43Å; V184-V214 HydrophobicContact CG1-CG2 3.99Å
215	S	94.1	Very high	91.3	Very high	10 Å²	10	45 Å²	45	7%	0.07	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-76.3	126.1	172.5	-62.1	0	0	0	0	110.3	V183 V221	V183-S215 PolarHBondContact O-N 3.4Å; S215-V221 PolarHBondContact OG-O 2.93Å
216	V	88.4	Confident	91.8	Very high	44 Å²	44	43 Å²	43	27%	0.267	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-103.3	149.4	-179.1	-65.9	0	0	0	0	112.5	P26 P109 T218 H219	P26-V216 HydrophobicContact CB-CG1 4.32Å; P26-V216 HydrophobicContact CG-CG1 3.98Å; P109-V216 WeakPolarHBondContact CD-O 3.21Å; P109-V216 VanDerWaalsContact CG-C 3.45Å; P109-V216 WeakPolarHBondContact CG-O 3.33Å; V216-T218 PolarHBondContact O-N 2.79Å; V216-T218 VanDerWaalsContact O-N 3.08Å; V216-H219 PolarHBondContact O-N 3.35Å
217	K	82.1	Confident	92.4	Very high	117 Å²	117	38.1 Å²	38.1	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.9	-171.4	-67	-178	-179.2	176	0	115.5	P109 H219	P109-K217 HydrophobicContact CG-CG 4.23Å; K217-H219 VanDerWaalsContact C-N 3.3Å
218	T	79.6	Confident	92.9	Very high	114 Å²	114	33.1 Å²	33.1	70%	0.699	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.2	-175.9	46.7	0	0	0	0	113.8	V216	V216-T218 PolarHBondContact O-N 2.79Å; V216-T218 VanDerWaalsContact O-N 3.08Å
219	H	87	Confident	93.1	Very high	71 Å²	71	30.7 Å²	30.7	33%	0.329	16%	0.16	S	C	.	.	S	Bend	trans	-141.5	172.2	-173.5	-61.9	81.8	0	0	0	111.9	G108 V216 K217 W223	G108-H219 VanDerWaalsContact CA-O 3.28Å; G108-H219 WeakPolarHBondContact CA-O 3.37Å; V216-H219 PolarHBondContact O-N 3.35Å; K217-H219 VanDerWaalsContact C-N 3.3Å; H219-W223 HydrophobicContact CB-CB 3.46Å; H219-W223 VanDerWaalsContact CB-CB 3.46Å; H219-W223 HydrophobicContact CB-CD2 4.43Å; H219-W223 HydrophobicContact CB-CG 3.54Å; H219-W223 AromaticContact CD2-CD1 3.38Å; H219-W223 AromaticContact CD2-CD2 3.61Å; H219-W223 AromaticContact CD2-CE2 3.52Å; H219-W223 AromaticContact CD2-CG 3.52Å; H219-W223 AromaticContact CD2-NE1 3.35Å; H219-W223 PolarHBondContact CD2-NE1 3.23Å; H219-W223 VanDerWaalsContact CD2-NE1 3.35Å; H219-W223 AromaticContact CE1-NE1 3.94Å; H219-W223 AromaticContact CG-CD1 3.34Å; H219-W223 AromaticContact CG-CG 3.61Å; H219-W223 AromaticContact CG-NE1 3.76Å; H219-W223 AromaticContact ND1-CD1 3.84Å; H219-W223 AromaticContact NE2-CD1 3.92Å; H219-W223 AromaticContact NE2-CE2 3.81Å; H219-W223 AromaticContact NE2-NE1 3.49Å; H219-W223 PolarHBondContact NE2-NE1 3.16Å
220	T	89.9	Confident	93.1	Very high	31 Å²	31	32.8 Å²	32.8	19%	0.19	17%	0.17	C	C	.	.			trans	-56.7	152.5	166	63.8	0	0	0	0	110.4	E106 T222 W223 S319 Y321	E106-T220 VanDerWaalsContact OE1-CB 3.27Å; E106-T220 WeakPolarHBondContact OE1-CB 3.47Å; E106-T220 WeakPolarHBondContact OE2-CA 3.32Å; T220-T222 PolarHBondContact O-N 2.59Å; T220-T222 VanDerWaalsContact O-N 3.16Å; T220-T222 PolarHBondContact OG1-OG1 2.98Å; T220-W223 VanDerWaalsContact O-CB 3.29Å; T220-W223 WeakPolarHBondContact O-CB 3.35Å; T220-W223 PolarHBondContact O-N 3.04Å; T220-W223 PolarHBondContact OG1-N 2.83Å; T220-S319 WeakPolarHBondContact CG2-OG 3.47Å; T220-Y321 HydrophobicContact CG2-CD2 3.94Å
221	V	89.9	Confident	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.6	176.6	-60.1	0	0	0	0	112.7	E106 P109 I112 V183 Q185 S215 W223 F265 V317	E106-V221 HydrophobicContact CB-CG1 4.32Å; E106-V221 HydrophobicContact CB-CG2 4.36Å; E106-V221 HydrophobicContact CG-CG1 4.41Å; E106-V221 HydrophobicContact CG-CG2 3.72Å; E106-V221 PolarHBondContact OE2-N 2.73Å; P109-V221 HydrophobicContact CB-CG1 4.29Å; I112-V221 HydrophobicContact CD1-CG1 4.33Å; V183-V221 HydrophobicContact CG1-CG1 4.32Å; Q185-V221 VanDerWaalsContact CG-O 3.29Å; Q185-V221 WeakPolarHBondContact CG-O 3.33Å; Q185-V221 PolarHBondContact NE2-O 2.79Å; S215-V221 PolarHBondContact OG-O 2.93Å; V221-W223 VanDerWaalsContact C-N 3.31Å; V221-W223 PolarHBondContact O-N 2.94Å; V221-F265 HydrophobicContact CG2-CE2 4.34Å; V221-V317 HydrophobicContact CG2-CG1 4.34Å
222	T	90.4	Very high	93.2	Very high	26 Å²	26	35.1 Å²	35.1	16%	0.16	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-74.1	-18.2	179.9	56.5	0	0	0	0	113.5	T220 A224 A225 T244 V317	T220-T222 PolarHBondContact O-N 2.59Å; T220-T222 VanDerWaalsContact O-N 3.16Å; T220-T222 PolarHBondContact OG1-OG1 2.98Å; T222-A224 PolarHBondContact O-N 3.46Å; T222-A225 PolarHBondContact O-N 2.87Å; T222-T244 HydrophobicContact CG2-CG2 3.85Å; T222-V317 HydrophobicContact CG2-CB 4.49Å; T222-V317 HydrophobicContact CG2-CG1 4.27Å
223	W	93.4	Very high	93.1	Very high	88 Å²	88	34.6 Å²	34.6	33%	0.333	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63.3	-21.9	179	-172.6	-98.2	0	0	0	113.4	H219 T220 V221 A225 N226 T227	H219-W223 HydrophobicContact CB-CB 3.46Å; H219-W223 VanDerWaalsContact CB-CB 3.46Å; H219-W223 HydrophobicContact CB-CD2 4.43Å; H219-W223 HydrophobicContact CB-CG 3.54Å; H219-W223 AromaticContact CD2-CD1 3.38Å; H219-W223 AromaticContact CD2-CD2 3.61Å; H219-W223 AromaticContact CD2-CE2 3.52Å; H219-W223 AromaticContact CD2-CG 3.52Å; H219-W223 AromaticContact CD2-NE1 3.35Å; H219-W223 PolarHBondContact CD2-NE1 3.23Å; H219-W223 VanDerWaalsContact CD2-NE1 3.35Å; H219-W223 AromaticContact CE1-NE1 3.94Å; H219-W223 AromaticContact CG-CD1 3.34Å; H219-W223 AromaticContact CG-CG 3.61Å; H219-W223 AromaticContact CG-NE1 3.76Å; H219-W223 AromaticContact ND1-CD1 3.84Å; H219-W223 AromaticContact NE2-CD1 3.92Å; H219-W223 AromaticContact NE2-CE2 3.81Å; H219-W223 AromaticContact NE2-NE1 3.49Å; H219-W223 PolarHBondContact NE2-NE1 3.16Å; T220-W223 VanDerWaalsContact O-CB 3.29Å; T220-W223 WeakPolarHBondContact O-CB 3.35Å; T220-W223 PolarHBondContact O-N 3.04Å; T220-W223 PolarHBondContact OG1-N 2.83Å; V221-W223 VanDerWaalsContact C-N 3.31Å; V221-W223 PolarHBondContact O-N 2.94Å; W223-A225 PolarHBondContact O-N 3.3Å; W223-N226 HydrophobicContact CD2-CB 3.97Å; W223-N226 HydrophobicContact CE3-CB 4.14Å; W223-N226 HydrophobicContact CG-CB 4.5Å; W223-N226 HydrophobicContact CH2-CB 4.29Å; W223-N226 HydrophobicContact CZ2-CB 4.13Å; W223-N226 HydrophobicContact CZ3-CB 4.29Å; W223-N226 WeakPolarHBondContact O-CA 3.38Å; W223-N226 WeakPolarHBondContact O-CB 3.45Å; W223-N226 PolarHBondContact O-N 3.3Å; W223-T227 PolarHBondContact O-N 3.19Å
224	A	94.1	Very high	93.1	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-30	177	0	0	0	0	0	112.7	Q185 A213 T222 L228	Q185-A224 HydrophobicContact CB-CB 4.41Å; Q185-A224 HydrophobicContact CG-CB 3.86Å; A213-A224 HydrophobicContact CB-CB 3.75Å; T222-A224 PolarHBondContact O-N 3.46Å; A224-L228 WeakPolarHBondContact O-CB 3.27Å; A224-L228 PolarHBondContact O-N 3.35Å; A224-L228 VanDerWaalsContact O-N 3.07Å
225	A	96.6	Very high	93	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-38.4	173	0	0	0	0	0	113.1	L187 T222 W223 L228 V229 V242 V269	L187-A225 HydrophobicContact CD1-CB 4.05Å; L187-A225 HydrophobicContact CD2-CB 4.14Å; T222-A225 PolarHBondContact O-N 2.87Å; W223-A225 PolarHBondContact O-N 3.3Å; A225-L228 PolarHBondContact O-N 3.35Å; A225-V229 VanDerWaalsContact O-CG2 3.28Å; A225-V229 WeakPolarHBondContact O-CG2 3.27Å; A225-V229 PolarHBondContact O-N 3.04Å; A225-V242 HydrophobicContact CB-CG1 4.03Å; A225-V269 HydrophobicContact CB-CG1 4.27Å; A225-V269 HydrophobicContact CB-CG2 3.8Å
226	N	96.5	Very high	93	Very high	25 Å²	25	42.1 Å²	42.1	13%	0.134	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-45.8	177.5	-78.2	-90.1	0	0	0	110.9	W223 L228 V229 Q230 Y237 V242	W223-N226 HydrophobicContact CD2-CB 3.97Å; W223-N226 HydrophobicContact CE3-CB 4.14Å; W223-N226 HydrophobicContact CG-CB 4.5Å; W223-N226 HydrophobicContact CH2-CB 4.29Å; W223-N226 HydrophobicContact CZ2-CB 4.13Å; W223-N226 HydrophobicContact CZ3-CB 4.29Å; W223-N226 WeakPolarHBondContact O-CA 3.38Å; W223-N226 WeakPolarHBondContact O-CB 3.45Å; W223-N226 PolarHBondContact O-N 3.3Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 3.45Å; N226-V229 PolarHBondContact O-N 3.21Å; N226-Q230 WeakPolarHBondContact O-CB 3.17Å; N226-Q230 PolarHBondContact O-N 3.3Å; N226-Y237 HydrophobicContact CB-CE2 4.34Å; N226-Y237 PolarHBondContact OD1-OH 2.93Å; N226-V242 WeakPolarHBondContact OD1-CB 3.38Å
227	T	95.8	Very high	93.3	Very high	39 Å²	39	41.1 Å²	41.1	24%	0.239	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-45.4	176.1	-52.4	0	0	0	0	111.1	S24 W223 V229 Q230 E231	S24-T227 WeakPolarHBondContact OG-CG2 3.3Å; W223-T227 PolarHBondContact O-N 3.19Å; T227-V229 PolarHBondContact O-N 2.68Å; T227-Q230 PolarHBondContact O-N 3.02Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.34Å; T227-E231 WeakPolarHBondContact O-CG 3.19Å; T227-E231 PolarHBondContact O-N 3.44Å
228	L	97.5	Very high	93.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-43.5	177.7	-172.3	143.6	0	0	0	112.7	D23 L187 L201 P211 A213 A224 A225 N226 E231 A232 F291	D23-L228 HydrophobicContact CB-CD1 3.96Å; L187-L228 HydrophobicContact CD1-CB 4.25Å; L187-L228 HydrophobicContact CD1-CD1 3.95Å; L187-L228 HydrophobicContact CD1-CD2 4.17Å; L187-L228 HydrophobicContact CD1-CG 4.35Å; L201-L228 HydrophobicContact CD2-CD2 3.68Å; P211-L228 HydrophobicContact CB-CD1 3.54Å; P211-L228 HydrophobicContact CB-CD2 4.36Å; A213-L228 HydrophobicContact CB-CB 4.31Å; A213-L228 HydrophobicContact CB-CD1 3.95Å; A224-L228 WeakPolarHBondContact O-CB 3.27Å; A224-L228 PolarHBondContact O-N 3.35Å; A224-L228 VanDerWaalsContact O-N 3.07Å; A225-L228 PolarHBondContact O-N 3.35Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 3.45Å; L228-E231 PolarHBondContact O-N 3.14Å; L228-A232 WeakPolarHBondContact O-CB 3.25Å; L228-A232 PolarHBondContact O-N 3.42Å; L228-F291 HydrophobicContact CD1-CE1 4.08Å; L228-F291 HydrophobicContact CD1-CZ 4.32Å; L228-F291 HydrophobicContact CD2-CE1 3.92Å; L228-F291 HydrophobicContact CD2-CZ 4.26Å; L228-F291 HydrophobicContact CG-CE1 3.96Å; L228-F291 HydrophobicContact CG-CZ 3.95Å
229	V	97.8	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-43.1	176.2	175.4	0	0	0	0	110.6	L189 A225 N226 T227 E231 A232 M233 Y237 L240 V242 L271	L189-V229 HydrophobicContact CD1-CG2 3.54Å; A225-V229 VanDerWaalsContact O-CG2 3.28Å; A225-V229 WeakPolarHBondContact O-CG2 3.27Å; A225-V229 PolarHBondContact O-N 3.04Å; N226-V229 PolarHBondContact O-N 3.21Å; T227-V229 PolarHBondContact O-N 2.68Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.02Å; V229-A232 PolarHBondContact O-N 3.36Å; V229-A232 VanDerWaalsContact O-N 3.11Å; V229-M233 HydrophobicContact CG1-CG 3.78Å; V229-M233 HydrophobicContact CG1-SD 3.94Å; V229-M233 VanDerWaalsContact O-CG 3.28Å; V229-M233 WeakPolarHBondContact O-CG 3.33Å; V229-M233 PolarHBondContact O-N 3.43Å; V229-Y237 HydrophobicContact CB-CD2 4.4Å; V229-Y237 HydrophobicContact CG1-CD2 4.01Å; V229-L240 HydrophobicContact CG1-CD1 4.41Å; V229-V242 HydrophobicContact CB-CG2 4.06Å; V229-V242 HydrophobicContact CG1-CG2 4.04Å; V229-V242 HydrophobicContact CG2-CG1 4.19Å; V229-V242 HydrophobicContact CG2-CG2 4.01Å; V229-L271 HydrophobicContact CG1-CD1 4Å; V229-L271 HydrophobicContact CG2-CD1 4.31Å
230	Q	97.1	Very high	94.6	Very high	82 Å²	82	40.3 Å²	40.3	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-37.9	177.4	-169.9	179.4	10.8	0	0	112.2	N226 T227 P234 Y237	N226-Q230 WeakPolarHBondContact O-CB 3.17Å; N226-Q230 PolarHBondContact O-N 3.3Å; T227-Q230 PolarHBondContact O-N 3.02Å; Q230-P234 VanDerWaalsContact O-CA 3.31Å; Q230-P234 WeakPolarHBondContact O-CA 3.32Å; Q230-P234 WeakPolarHBondContact O-CB 3.2Å; Q230-P234 WeakPolarHBondContact O-CD 3.44Å; Q230-Y237 HydrophobicContact CB-CD2 3.83Å; Q230-Y237 HydrophobicContact CB-CE2 4.04Å; Q230-Y237 HydrophobicContact CB-CG 4.08Å; Q230-Y237 HydrophobicContact CG-CD1 4.26Å; Q230-Y237 HydrophobicContact CG-CD2 4.39Å; Q230-Y237 HydrophobicContact CG-CG 4.14Å
231	E	96.9	Very high	94.8	Very high	60 Å²	60	42.1 Å²	42.1	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-70.1	-31.9	173.9	-72.8	176.8	-146.9	0	0	113	S24 T227 L228 V229 S288 R290	S24-E231 WeakPolarHBondContact CB-OE1 3.32Å; S24-E231 PolarHBondContact OG-OE1 3.21Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.34Å; T227-E231 WeakPolarHBondContact O-CG 3.19Å; T227-E231 PolarHBondContact O-N 3.44Å; L228-E231 PolarHBondContact O-N 3.14Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.02Å; E231-S288 VanDerWaalsContact O-CB 3.29Å; E231-S288 WeakPolarHBondContact O-CB 3.26Å; E231-R290 IonicContact OE2-CZ 3.8Å; E231-R290 IonicContact OE2-NH1 2.67Å; E231-R290 IonicContact OE2-NH2 3.56Å; E231-R290 PolarHBondContact OE2-NH2 3.46Å
232	A	97.6	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-79.1	-40.5	-178.3	0	0	0	0	0	113	L201 L228 V229 E287 S288 F291	L201-A232 HydrophobicContact CD2-CB 4.25Å; L228-A232 WeakPolarHBondContact O-CB 3.25Å; L228-A232 PolarHBondContact O-N 3.42Å; V229-A232 PolarHBondContact O-N 3.36Å; V229-A232 VanDerWaalsContact O-N 3.11Å; A232-E287 PolarHBondContact O-N 2.83Å; A232-S288 PolarHBondContact O-N 3.26Å; A232-F291 HydrophobicContact CB-CB 4.38Å; A232-F291 HydrophobicContact CB-CD2 3.54Å; A232-F291 HydrophobicContact CB-CE2 3.9Å; A232-F291 HydrophobicContact CB-CG 3.95Å
233	M	96.8	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.			trans	-144.1	64.8	-171.5	56.1	-164.4	79.1	0	0	111.6	L201 V229 S235 S236 Y237 L240 L271 P284 L285 I286 W293	L201-M233 HydrophobicContact CD1-CE 4.29Å; L201-M233 HydrophobicContact CD2-CE 4.35Å; V229-M233 HydrophobicContact CG1-CG 3.78Å; V229-M233 HydrophobicContact CG1-SD 3.94Å; V229-M233 VanDerWaalsContact O-CG 3.28Å; V229-M233 WeakPolarHBondContact O-CG 3.33Å; V229-M233 PolarHBondContact O-N 3.43Å; M233-S235 VanDerWaalsContact C-N 3.31Å; M233-S235 PolarHBondContact O-N 3.48Å; M233-S236 PolarHBondContact O-N 3.46Å; M233-Y237 PolarHBondContact O-N 3.1Å; M233-L240 HydrophobicContact CG-CD1 3.99Å; M233-L240 HydrophobicContact SD-CD1 3.43Å; M233-L240 WeakPolarHBondContact SD-CD1 3.34Å; M233-L271 HydrophobicContact CE-CD2 4.31Å; M233-L271 HydrophobicContact SD-CD2 3.82Å; M233-P284 HydrophobicContact SD-CB 3.76Å; M233-P284 HydrophobicContact SD-CG 4.22Å; M233-L285 WeakPolarHBondContact CB-O 3.42Å; M233-I286 HydrophobicContact CE-CG1 4.21Å; M233-W293 HydrophobicContact CE-CZ2 3.85Å
234	P	96.9	Very high	95.5	Very high	63 Å²	63	41.6 Å²	41.6	41%	0.409	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.6	-174.7	23.4	-34.3	0	0	0	113.9	Q230 E287	Q230-P234 VanDerWaalsContact O-CA 3.31Å; Q230-P234 WeakPolarHBondContact O-CA 3.32Å; Q230-P234 WeakPolarHBondContact O-CB 3.2Å; Q230-P234 WeakPolarHBondContact O-CD 3.44Å; P234-E287 VanDerWaalsContact CD-OE1 3.29Å; P234-E287 WeakPolarHBondContact CD-OE1 3.48Å; P234-E287 HydrophobicContact CG-CB 4.48Å
235	S	95.3	Very high	95.5	Very high	89 Å²	89	46.3 Å²	46.3	62%	0.622	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.8	-177	-62.1	0	0	0	0	112.6	M233 E287	M233-S235 VanDerWaalsContact C-N 3.31Å; M233-S235 PolarHBondContact O-N 3.48Å; S235-E287 WeakPolarHBondContact CA-OE1 3.31Å; S235-E287 WeakPolarHBondContact CB-OE1 3.42Å; S235-E287 WeakPolarHBondContact CB-OE2 3.41Å; S235-E287 PolarHBondContact N-OE1 3.05Å; S235-E287 VanDerWaalsContact OG-CD 3.27Å; S235-E287 PolarHBondContact OG-OE1 3.09Å; S235-E287 PolarHBondContact OG-OE2 2.99Å
236	S	92.7	Very high	95.4	Very high	30 Å²	30	46.5 Å²	46.5	21%	0.21	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.9	179.8	-60.9	0	0	0	0	114	M233 Y238 D239 L240	M233-S236 PolarHBondContact O-N 3.46Å; S236-Y238 VanDerWaalsContact C-N 3.29Å; S236-Y238 PolarHBondContact O-N 3.1Å; S236-Y238 VanDerWaalsContact O-N 3.17Å; S236-D239 WeakPolarHBondContact O-CA 3.11Å; S236-D239 WeakPolarHBondContact O-CB 3.48Å; S236-D239 PolarHBondContact O-N 2.91Å; S236-L240 WeakPolarHBondContact O-CD1 3.47Å; S236-L240 VanDerWaalsContact O-CG 3.26Å; S236-L240 WeakPolarHBondContact O-CG 3.29Å; S236-L240 PolarHBondContact O-N 3.16Å
237	Y	94.7	Very high	95.5	Very high	24 Å²	24	45.4 Å²	45.4	9%	0.094	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-51.5	-43.2	-173.7	173.2	-103.8	0	0	0	113.9	N226 V229 Q230 M233 D239 L240 V242	N226-Y237 HydrophobicContact CB-CE2 4.34Å; N226-Y237 PolarHBondContact OD1-OH 2.93Å; V229-Y237 HydrophobicContact CB-CD2 4.4Å; V229-Y237 HydrophobicContact CG1-CD2 4.01Å; Q230-Y237 HydrophobicContact CB-CD2 3.83Å; Q230-Y237 HydrophobicContact CB-CE2 4.04Å; Q230-Y237 HydrophobicContact CB-CG 4.08Å; Q230-Y237 HydrophobicContact CG-CD1 4.26Å; Q230-Y237 HydrophobicContact CG-CD2 4.39Å; Q230-Y237 HydrophobicContact CG-CG 4.14Å; M233-Y237 PolarHBondContact O-N 3.1Å; Y237-D239 PolarHBondContact O-N 2.65Å; Y237-L240 PolarHBondContact O-N 2.99Å; Y237-L240 VanDerWaalsContact O-N 3.17Å; Y237-V242 HydrophobicContact CE2-CG2 4.34Å
238	Y	92.8	Very high	95.5	Very high	179 Å²	179	44.1 Å²	44.1	70%	0.702	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-74.5	-13.7	-179	-65.4	-71.7	0	0	0	114.1	S236 L240	S236-Y238 VanDerWaalsContact C-N 3.29Å; S236-Y238 PolarHBondContact O-N 3.1Å; S236-Y238 VanDerWaalsContact O-N 3.17Å; Y238-L240 VanDerWaalsContact C-N 3.3Å
239	D	91.9	Very high	95.5	Very high	94 Å²	94	44.2 Å²	44.2	50%	0.503	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-92.9	6.3	173.3	-58.3	-39.8	0	0	0	112.1	S236 Y237 H273 T274	S236-D239 WeakPolarHBondContact O-CA 3.11Å; S236-D239 WeakPolarHBondContact O-CB 3.48Å; S236-D239 PolarHBondContact O-N 2.91Å; Y237-D239 PolarHBondContact O-N 2.65Å; D239-H273 WeakPolarHBondContact O-CA 3.17Å; D239-H273 PolarHBondContact O-ND1 2.84Å; D239-T274 WeakPolarHBondContact CA-OG1 3.36Å; D239-T274 PolarHBondContact O-N 2.63Å; D239-T274 PolarHBondContact O-OG1 2.97Å
240	L	92.9	Very high	95.4	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141	-174.6	-62.3	166.6	0	0	0	111.6	V229 M233 S236 Y237 Y238 L271 E272 T274 P284	V229-L240 HydrophobicContact CG1-CD1 4.41Å; M233-L240 HydrophobicContact CG-CD1 3.99Å; M233-L240 HydrophobicContact SD-CD1 3.43Å; M233-L240 WeakPolarHBondContact SD-CD1 3.34Å; S236-L240 WeakPolarHBondContact O-CD1 3.47Å; S236-L240 VanDerWaalsContact O-CG 3.26Å; S236-L240 WeakPolarHBondContact O-CG 3.29Å; S236-L240 PolarHBondContact O-N 3.16Å; Y237-L240 PolarHBondContact O-N 2.99Å; Y237-L240 VanDerWaalsContact O-N 3.17Å; Y238-L240 VanDerWaalsContact C-N 3.3Å; L240-L271 HydrophobicContact CB-CD1 3.87Å; L240-L271 HydrophobicContact CB-CG 4.45Å; L240-L271 HydrophobicContact CD1-CD1 4.18Å; L240-L271 HydrophobicContact CD1-CD2 4.12Å; L240-L271 HydrophobicContact CD1-CG 4.39Å; L240-L271 HydrophobicContact CD2-CD1 4.4Å; L240-L271 HydrophobicContact CD2-CD2 4.29Å; L240-L271 HydrophobicContact CD2-CG 4.07Å; L240-L271 HydrophobicContact CG-CD1 4.36Å; L240-E272 CarbonylContact C-O 3.53Å; L240-E272 WeakPolarHBondContact CA-O 3.29Å; L240-T274 VanDerWaalsContact C-CG2 3.5Å; L240-P284 HydrophobicContact CD1-CB 4.11Å; L240-P284 HydrophobicContact CD1-CG 3.95Å; L240-P284 HydrophobicContact CD2-CB 4.4Å; L240-P284 HydrophobicContact CD2-CG 3.51Å; L240-P284 HydrophobicContact CG-CG 4.35Å
241	N	94	Very high	95.4	Very high	68 Å²	68	40.5 Å²	40.5	36%	0.364	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.4	169	-170.6	11.1	0	0	0	109	N243 E272 T274	N241-N243 VanDerWaalsContact ND2-CG 3.35Å; N241-N243 PolarHBondContact ND2-ND2 3.16Å; N241-N243 PolarHBondContact ND2-OD1 2.87Å; N241-N243 PolarHBondContact O-N 3.24Å; N241-N243 PolarHBondContact OD1-OD1 3.08Å; N241-N243 VanDerWaalsContact OD1-OD1 3.09Å; N241-E272 HydrophobicContact CB-CB 4.5Å; N241-E272 PolarHBondContact N-O 2.86Å; N241-E272 PolarHBondContact O-N 3.3Å; N241-E272 VanDerWaalsContact O-N 3.11Å; N241-T274 HydrophobicContact CB-CG2 4.18Å
242	V	96.3	Very high	95.4	Very high	13 Å²	13	37.9 Å²	37.9	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	87.4	178.8	-173.3	0	0	0	0	109	A225 N226 V229 Y237 T244 V269 L271	A225-V242 HydrophobicContact CB-CG1 4.03Å; N226-V242 WeakPolarHBondContact OD1-CB 3.38Å; V229-V242 HydrophobicContact CB-CG2 4.06Å; V229-V242 HydrophobicContact CG1-CG2 4.04Å; V229-V242 HydrophobicContact CG2-CG1 4.19Å; V229-V242 HydrophobicContact CG2-CG2 4.01Å; Y237-V242 HydrophobicContact CE2-CG2 4.34Å; V242-T244 PolarHBondContact O-N 2.78Å; V242-V269 HydrophobicContact CG1-CG1 3.57Å; V242-L271 HydrophobicContact CG2-CD1 3.92Å
243	N	95	Very high	95.2	Very high	41 Å²	41	38.9 Å²	38.9	22%	0.219	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.9	-174.4	-70.2	-43.8	0	0	0	111.6	N241 R245 V269 S270 E272	N241-N243 VanDerWaalsContact ND2-CG 3.35Å; N241-N243 PolarHBondContact ND2-ND2 3.16Å; N241-N243 PolarHBondContact ND2-OD1 2.87Å; N241-N243 PolarHBondContact O-N 3.24Å; N241-N243 PolarHBondContact OD1-OD1 3.08Å; N241-N243 VanDerWaalsContact OD1-OD1 3.09Å; N243-R245 PolarHBondContact O-N 2.87Å; N243-V269 CarbonylContact O-C 3.55Å; N243-V269 WeakPolarHBondContact O-CA 3.36Å; N243-S270 WeakPolarHBondContact CB-O 3.48Å; N243-S270 PolarHBondContact N-O 3.28Å; N243-S270 PolarHBondContact O-N 3.41Å; N243-E272 VanDerWaalsContact ND2-CD 3.34Å; N243-E272 PolarHBondContact ND2-OE1 2.74Å; N243-E272 PolarHBondContact ND2-OE2 3.49Å
244	T	95.4	Very high	95	Very high	50 Å²	50	38.9 Å²	38.9	31%	0.307	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	115.2	167.6	-62.3	0	0	0	0	109.7	T222 V242 T267	T222-T244 HydrophobicContact CG2-CG2 3.85Å; V242-T244 PolarHBondContact O-N 2.78Å; T244-T267 HydrophobicContact CG2-CG2 3.67Å
245	R	95.3	Very high	94.8	Very high	102 Å²	102	40.9 Å²	40.9	39%	0.385	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-33.7	-177.3	-60.9	-63.2	-167.2	149.1	-7.7	112.7	N243 V268 S270 E272 F314	N243-R245 PolarHBondContact O-N 2.87Å; R245-V268 HydrophobicContact CB-CB 4.27Å; R245-V268 HydrophobicContact CB-CG1 4.18Å; R245-V268 HydrophobicContact CG-CG1 4.32Å; R245-V268 PolarHBondContact N-O 3.47Å; R245-S270 WeakPolarHBondContact CG-OG 3.28Å; R245-S270 PolarHBondContact NE-OG 3.25Å; R245-E272 IonicContact CZ-OE1 3.73Å; R245-E272 IonicContact NH2-OE1 3.92Å; R245-E272 PolarHBondContact NH2-OE1 2.92Å; R245-F314 HydrophobicContact CB-CD2 4.04Å; R245-F314 HydrophobicContact CB-CE2 3.7Å; R245-F314 HydrophobicContact CB-CZ 4.25Å
246	G	94.8	Very high	94.7	Very high	5 Å²	5	40 Å²	40	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-171.5	178.1	0	0	0	0	0	112.8	V268	G246-V268 PolarHBondContact O-N 3.35Å
247	I	97.2	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.4	-178.6	-65	164.4	0	0	0	110.7	V104 G249 F265 N266 L315 V317	V104-I247 HydrophobicContact CG2-CD1 4.26Å; I247-G249 VanDerWaalsContact CG2-N 3.26Å; I247-G249 WeakPolarHBondContact CG2-O 3.35Å; I247-F265 HydrophobicContact CD1-CB 4.47Å; I247-F265 HydrophobicContact CD1-CD1 3.28Å; I247-F265 HydrophobicContact CD1-CE1 3.6Å; I247-F265 HydrophobicContact CD1-CG 4.1Å; I247-F265 HydrophobicContact CG1-CB 4.38Å; I247-F265 HydrophobicContact CG1-CD1 4.04Å; I247-F265 HydrophobicContact CG2-CD1 4.48Å; I247-N266 CarbonylContact C-O 3.35Å; I247-N266 WeakPolarHBondContact CA-O 3.48Å; I247-L315 HydrophobicContact CB-CB 4.13Å; I247-L315 HydrophobicContact CB-CD2 4.43Å; I247-L315 HydrophobicContact CB-CG 4.5Å; I247-L315 HydrophobicContact CG2-CD2 4.3Å; I247-L315 PolarHBondContact N-O 3.47Å; I247-L315 PolarHBondContact O-N 3.03Å; I247-V317 HydrophobicContact CD1-CG2 3.02Å; I247-V317 HydrophobicContact CG1-CG2 3.53Å
248	L	97.2	Very high	94.6	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-31.4	169.1	-72.4	169	0	0	0	113.1	L10 L11 L188 N266 V268 F314	L10-L248 HydrophobicContact CB-CD1 4.23Å; L10-L248 WeakPolarHBondContact O-CB 3.26Å; L11-L248 HydrophobicContact CD2-CD1 4.2Å; L11-L248 HydrophobicContact CD2-CD2 4.4Å; L188-L248 HydrophobicContact CD2-CD1 4.11Å; L248-N266 HydrophobicContact CB-CB 4.28Å; L248-N266 PolarHBondContact N-O 3.06Å; L248-V268 HydrophobicContact CD1-CG2 3.44Å; L248-V268 VanDerWaalsContact CD1-CG2 3.44Å; L248-V268 HydrophobicContact CD2-CG2 4.29Å; L248-V268 HydrophobicContact CG-CG2 3.6Å; L248-F314 HydrophobicContact CD2-CD1 3.87Å; L248-F314 HydrophobicContact CD2-CE1 3.9Å; L248-F314 HydrophobicContact CG-CD1 4.31Å; L248-F314 HydrophobicContact CG-CE1 4.42Å
249	G	96.1	Very high	94.6	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	168.1	177.7	0	0	0	0	0	111.2	I247 N266	I247-G249 VanDerWaalsContact CG2-N 3.26Å; I247-G249 WeakPolarHBondContact CG2-O 3.35Å; G249-N266 WeakPolarHBondContact O-CB 3.37Å; G249-N266 PolarHBondContact O-N 3.06Å
250	L	96.4	Very high	94.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.9	175.3	73.2	80.5	0	0	0	111.6	I80 L101 V104 F114 P175 I176 L263 C264 F265	I80-L250 HydrophobicContact CD1-CD1 3.82Å; L101-L250 HydrophobicContact CD1-CD2 3.46Å; L101-L250 VanDerWaalsContact CD1-CD2 3.46Å; L101-L250 HydrophobicContact CD1-CG 4.1Å; V104-L250 HydrophobicContact CG2-CD2 4.45Å; F114-L250 HydrophobicContact CD1-CD2 4.02Å; F114-L250 HydrophobicContact CE1-CD2 3.79Å; P175-L250 HydrophobicContact CB-CD1 3.6Å; P175-L250 HydrophobicContact CG-CD1 3.96Å; I176-L250 PolarHBondContact N-O 3.16Å; L250-L263 HydrophobicContact CD1-CD1 3.87Å; L250-C264 CarbonylContact C-O 3.53Å; L250-C264 VanDerWaalsContact CA-O 3.26Å; L250-C264 WeakPolarHBondContact CA-O 3.46Å; L250-F265 HydrophobicContact CB-CD1 3.93Å; L250-F265 HydrophobicContact CB-CE1 4.29Å; L250-F265 HydrophobicContact CD2-CE1 4.12Å
251	Q	96.6	Very high	94.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.5	-179.5	-65.9	167.2	-151.4	0	0	110.7	L16 I176 M178 L263 C264	L16-Q251 VanDerWaalsContact O-CD 3.31Å; L16-Q251 PolarHBondContact O-NE2 3.4Å; L16-Q251 PolarHBondContact O-OE1 3.47Å; I176-Q251 HydrophobicContact CB-CG 4.18Å; I176-Q251 WeakPolarHBondContact O-CA 3.38Å; M178-Q251 HydrophobicContact CB-CB 4.13Å; M178-Q251 HydrophobicContact CB-CG 4.18Å; M178-Q251 HydrophobicContact SD-CG 4.27Å; Q251-L263 WeakPolarHBondContact O-CA 3.26Å; Q251-L263 WeakPolarHBondContact O-CD1 3.22Å; Q251-C264 HydrophobicContact CB-CB 4.13Å; Q251-C264 PolarHBondContact N-O 3.46Å; Q251-C264 PolarHBondContact O-N 2.79Å
252	H	96.8	Very high	95	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.023	17%	0.17	C	C	.	.			trans	-156.1	137.4	175.2	172.1	-84.4	0	0	0	111.1	Y40 M74 I80 I176 M178 G254 G262 L263	Y40-H252 AromaticContact CD2-NE2 3.89Å; Y40-H252 AromaticContact CE2-CD2 3.72Å; Y40-H252 AromaticContact CE2-NE2 3.56Å; M74-H252 VanDerWaalsContact CE-CE1 3.47Å; M74-H252 WeakPolarHBondContact CE-CE1 3.35Å; I80-H252 HydrophobicContact CD1-CB 3.59Å; I80-H252 HydrophobicContact CG1-CB 4.22Å; I176-H252 PolarHBondContact O-N 2.9Å; M178-H252 CarbonylContact O-C 3.58Å; M178-H252 VanDerWaalsContact O-C 3.28Å; M178-H252 PolarHBondContact O-N 2.97Å; H252-G254 PolarHBondContact CE1-N 2.94Å; H252-G262 PolarHBondContact CD2-O 3Å; H252-G262 VanDerWaalsContact CD2-O 3.26Å; H252-L263 HydrophobicContact CB-CD1 3.82Å
253	N	94.4	Very high	95	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.118	17%	0.166	C	C	.	.			trans	-143.7	94.1	170.1	176.3	-41.9	0	0	0	109.1	D177 M178 R255 T260	D177-N253 WeakPolarHBondContact OD1-CB 3.21Å; D177-N253 VanDerWaalsContact OD1-CG 3.31Å; D177-N253 PolarHBondContact OD1-ND2 2.77Å; M178-N253 PolarHBondContact O-N 2.99Å; N253-R255 VanDerWaalsContact C-N 3.25Å; N253-R255 PolarHBondContact ND2-NH1 2.89Å; N253-R255 PolarHBondContact O-N 3.36Å; N253-R255 VanDerWaalsContact OD1-CB 3.32Å; N253-R255 WeakPolarHBondContact OD1-CB 3.27Å; N253-R255 WeakPolarHBondContact OD1-CG 3.34Å; N253-R255 PolarHBondContact OD1-N 3.04Å; N253-T260 CarbonylContact C-O 3.58Å; N253-T260 CarbonylContact O-C 3.19Å; N253-T260 WeakPolarHBondContact O-CB 3.25Å; N253-T260 PolarHBondContact O-OG1 2.94Å
254	G	91.5	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.			trans	-85.3	24.2	-178.2	0	0	0	0	0	114.8	G77 H252 V256	G77-G254 VanDerWaalsContact CA-O 3.31Å; G77-G254 WeakPolarHBondContact CA-O 3.41Å; G77-G254 PolarHBondContact N-O 2.99Å; H252-G254 PolarHBondContact CE1-N 2.94Å; G254-V256 VanDerWaalsContact C-N 3.3Å; G254-V256 PolarHBondContact O-N 3.25Å
255	R	93.1	Very high	95.3	Very high	105 Å²	105	27.8 Å²	27.8	40%	0.396	14%	0.141	S	C	.	.	S	Bend	trans	-75.9	-15.1	-171.6	-64.5	-166.2	-177.2	87.6	-5.9	114.4	D177 N253	D177-R255 IonicContact OD1-CZ 2.93Å; D177-R255 IonicContact OD1-NH1 3.22Å; D177-R255 PolarHBondContact OD1-NH1 2.86Å; D177-R255 IonicContact OD2-CZ 3.94Å; D177-R255 VanDerWaalsContact OD2-CZ 3.22Å; D177-R255 IonicContact OD2-NH1 2.8Å; D177-R255 PolarHBondContact OD2-NH1 2.83Å; D177-R255 IonicContact OD2-NH2 3.9Å; D177-R255 PolarHBondContact OD2-NH2 2.95Å; N253-R255 VanDerWaalsContact C-N 3.25Å; N253-R255 PolarHBondContact ND2-NH1 2.89Å; N253-R255 PolarHBondContact O-N 3.36Å; N253-R255 VanDerWaalsContact OD1-CB 3.32Å; N253-R255 WeakPolarHBondContact OD1-CB 3.27Å; N253-R255 WeakPolarHBondContact OD1-CG 3.34Å; N253-R255 PolarHBondContact OD1-N 3.04Å
256	V	94.6	Very high	95.4	Very high	69 Å²	69	23 Å²	23	42%	0.418	12%	0.123	S	C	.	.	S	Bend	trans	-119.8	92.9	176.3	-168.8	0	0	0	0	108.7	G254 G258 K259 T260	G254-V256 VanDerWaalsContact C-N 3.3Å; G254-V256 PolarHBondContact O-N 3.25Å; V256-G258 PolarHBondContact O-N 3.29Å; V256-K259 HydrophobicContact CB-CB 4.26Å; V256-K259 HydrophobicContact CG1-CB 3.89Å; V256-K259 HydrophobicContact CG1-CD 3.84Å; V256-K259 HydrophobicContact CG1-CG 4.12Å; V256-K259 PolarHBondContact O-N 3.35Å; V256-T260 HydrophobicContact CB-CG2 4.06Å; V256-T260 HydrophobicContact CG2-CG2 4.35Å; V256-T260 PolarHBondContact N-OG1 3.42Å; V256-T260 VanDerWaalsContact N-OG1 3.12Å; V256-T260 PolarHBondContact O-N 3.02Å; V256-T260 PolarHBondContact O-OG1 2.84Å
257	P	93.6	Very high	95.5	Very high	60 Å²	60	22.8 Å²	22.8	39%	0.39	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	133.5	-173.3	-29.2	36.4	0	0	0	113.2	E76 K259	E76-P257 HydrophobicContact CB-CB 4.28Å; E76-P257 HydrophobicContact CB-CG 3.89Å; E76-P257 HydrophobicContact CG-CB 4.26Å; E76-P257 HydrophobicContact CG-CG 4.41Å; P257-K259 PolarHBondContact O-N 3.23Å
258	G	91.3	Very high	95.5	Very high	31 Å²	31	22.8 Å²	22.8	32%	0.32	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	0.9	-177.4	0	0	0	0	0	115.5	V256 D261	V256-G258 PolarHBondContact O-N 3.29Å; G258-D261 WeakPolarHBondContact CA-OD2 3.49Å; G258-D261 PolarHBondContact N-OD2 3.16Å
259	K	92.3	Very high	95.6	Very high	147 Å²	147	22.1 Å²	22.1	64%	0.639	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-33	178	-61.5	-168.7	-177.1	179.9	0	113.3	H181 V256 P257	H181-K259 WeakPolarHBondContact CA-O 3.39Å; H181-K259 WeakPolarHBondContact CB-O 3.35Å; V256-K259 HydrophobicContact CB-CB 4.26Å; V256-K259 HydrophobicContact CG1-CB 3.89Å; V256-K259 HydrophobicContact CG1-CD 3.84Å; V256-K259 HydrophobicContact CG1-CG 4.12Å; V256-K259 PolarHBondContact O-N 3.35Å; P257-K259 PolarHBondContact O-N 3.23Å
260	T	94.6	Very high	95.6	Very high	17 Å²	17	22.3 Å²	22.3	10%	0.104	12%	0.118	C	C	.	.	S	Bend	trans	-125	13.9	-177	65.2	0	0	0	0	113.1	C179 C180 N253 V256 G262	C179-T260 HydrophobicContact CB-CG2 4.06Å; C180-T260 CarbonylContact O-C 3.52Å; C180-T260 VanDerWaalsContact O-CA 3.27Å; C180-T260 WeakPolarHBondContact O-CA 3.48Å; N253-T260 CarbonylContact C-O 3.58Å; N253-T260 CarbonylContact O-C 3.19Å; N253-T260 WeakPolarHBondContact O-CB 3.25Å; N253-T260 PolarHBondContact O-OG1 2.94Å; V256-T260 HydrophobicContact CB-CG2 4.06Å; V256-T260 HydrophobicContact CG2-CG2 4.35Å; V256-T260 PolarHBondContact N-OG1 3.42Å; V256-T260 VanDerWaalsContact N-OG1 3.12Å; V256-T260 PolarHBondContact O-N 3.02Å; V256-T260 PolarHBondContact O-OG1 2.84Å; T260-G262 PolarHBondContact O-N 3.09Å
261	D	95.9	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	7.9	-178.5	-58.6	-20.7	0	0	0	113.6	V32 A33 L34 Y40 G258	V32-D261 HydrophobicContact CG2-CB 4.36Å; V32-D261 VanDerWaalsContact CG2-O 3.26Å; V32-D261 WeakPolarHBondContact CG2-O 3.39Å; A33-D261 WeakPolarHBondContact CA-OD2 3.44Å; L34-D261 HydrophobicContact CB-CB 4.16Å; L34-D261 PolarHBondContact N-OD2 3.06Å; Y40-D261 WeakPolarHBondContact CE2-O 3.41Å; Y40-D261 PolarHBondContact OH-O 2.92Å; G258-D261 WeakPolarHBondContact CA-OD2 3.49Å; G258-D261 PolarHBondContact N-OD2 3.16Å
262	G	96.6	Very high	95.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	178.1	176.4	0	0	0	0	0	113.2	C180 V182 H252 T260	C180-G262 WeakPolarHBondContact O-CA 3.49Å; C180-G262 PolarHBondContact O-N 3.31Å; V182-G262 CarbonylContact O-C 3.56Å; V182-G262 VanDerWaalsContact O-CA 3.25Å; V182-G262 WeakPolarHBondContact O-CA 3.43Å; H252-G262 PolarHBondContact CD2-O 3Å; H252-G262 VanDerWaalsContact CD2-O 3.26Å; T260-G262 PolarHBondContact O-N 3.09Å
263	L	96.6	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	131.4	-173.1	-175.9	71.6	0	0	0	109.3	Y40 I80 I112 F114 V182 V183 V184 L250 Q251 H252 F265	Y40-L263 HydrophobicContact CE1-CD2 4.44Å; Y40-L263 WeakPolarHBondContact OH-CB 3.45Å; I80-L263 HydrophobicContact CD1-CD1 4.3Å; I112-L263 HydrophobicContact CD1-CD2 3.58Å; F114-L263 HydrophobicContact CE1-CD1 4.32Å; F114-L263 HydrophobicContact CE1-CD2 4.11Å; F114-L263 HydrophobicContact CZ-CD1 4.05Å; F114-L263 HydrophobicContact CZ-CD2 3.78Å; V182-L263 PolarHBondContact O-N 2.94Å; V183-L263 CarbonylContact C-O 3.42Å; V183-L263 WeakPolarHBondContact CA-O 3.5Å; V183-L263 HydrophobicContact CG2-CB 4.46Å; V184-L263 PolarHBondContact N-O 3.48Å; L250-L263 HydrophobicContact CD1-CD1 3.87Å; Q251-L263 WeakPolarHBondContact O-CA 3.26Å; Q251-L263 WeakPolarHBondContact O-CD1 3.22Å; H252-L263 HydrophobicContact CB-CD1 3.82Å; L263-F265 HydrophobicContact CD2-CD2 4.19Å; L263-F265 HydrophobicContact CD2-CE1 3.88Å; L263-F265 HydrophobicContact CD2-CE2 3.35Å; L263-F265 HydrophobicContact CD2-CZ 3.19Å; L263-F265 HydrophobicContact CG-CD2 4.36Å; L263-F265 HydrophobicContact CG-CE1 4.38Å; L263-F265 HydrophobicContact CG-CE2 3.99Å; L263-F265 HydrophobicContact CG-CZ 4.03Å
264	C	97.8	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.9	171.3	178.4	0	0	0	0	110.4	V18 V184 R186 L250 Q251	V18-C264 HydrophobicContact CG2-CB 3.73Å; V184-C264 HydrophobicContact CG2-CB 3.62Å; R186-C264 PolarHBondContact NH1-SG 3.32Å; L250-C264 CarbonylContact C-O 3.53Å; L250-C264 VanDerWaalsContact CA-O 3.26Å; L250-C264 WeakPolarHBondContact CA-O 3.46Å; Q251-C264 HydrophobicContact CB-CB 4.13Å; Q251-C264 PolarHBondContact N-O 3.46Å; Q251-C264 PolarHBondContact O-N 2.79Å
265	F	97.8	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.5	170.2	-65.6	-72.6	0	0	0	110.3	V104 I112 V183 V184 Q185 R186 V221 I247 L250 L263 T267	V104-F265 HydrophobicContact CG1-CE1 4.13Å; V104-F265 HydrophobicContact CG1-CZ 4.07Å; V104-F265 HydrophobicContact CG2-CE1 4.42Å; I112-F265 HydrophobicContact CD1-CE2 4.11Å; I112-F265 HydrophobicContact CD1-CZ 4.16Å; I112-F265 HydrophobicContact CG2-CZ 4.4Å; V183-F265 HydrophobicContact CG1-CE2 4.34Å; V184-F265 PolarHBondContact O-N 2.97Å; Q185-F265 CarbonylContact C-O 3.56Å; R186-F265 PolarHBondContact N-O 3.32Å; V221-F265 HydrophobicContact CG2-CE2 4.34Å; I247-F265 HydrophobicContact CD1-CB 4.47Å; I247-F265 HydrophobicContact CD1-CD1 3.28Å; I247-F265 HydrophobicContact CD1-CE1 3.6Å; I247-F265 HydrophobicContact CD1-CG 4.1Å; I247-F265 HydrophobicContact CG1-CB 4.38Å; I247-F265 HydrophobicContact CG1-CD1 4.04Å; I247-F265 HydrophobicContact CG2-CD1 4.48Å; L250-F265 HydrophobicContact CB-CD1 3.93Å; L250-F265 HydrophobicContact CB-CE1 4.29Å; L250-F265 HydrophobicContact CD2-CE1 4.12Å; L263-F265 HydrophobicContact CD2-CD2 4.19Å; L263-F265 HydrophobicContact CD2-CE1 3.88Å; L263-F265 HydrophobicContact CD2-CE2 3.35Å; L263-F265 HydrophobicContact CD2-CZ 3.19Å; L263-F265 HydrophobicContact CG-CD2 4.36Å; L263-F265 HydrophobicContact CG-CE1 4.38Å; L263-F265 HydrophobicContact CG-CE2 3.99Å; L263-F265 HydrophobicContact CG-CZ 4.03Å; F265-T267 PolarHBondContact O-N 3.49Å
266	N	97.6	Very high	91.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	98.7	168.3	-68.8	-23.2	0	0	0	108.3	L10 E14 R186 I247 L248 G249	L10-N266 HydrophobicContact CD2-CB 4.22Å; L10-N266 HydrophobicContact CG-CB 4.13Å; E14-N266 PolarHBondContact O-ND2 2.85Å; R186-N266 PolarHBondContact NH1-OD1 2.85Å; I247-N266 CarbonylContact C-O 3.35Å; I247-N266 WeakPolarHBondContact CA-O 3.48Å; L248-N266 HydrophobicContact CB-CB 4.28Å; L248-N266 PolarHBondContact N-O 3.06Å; G249-N266 WeakPolarHBondContact O-CB 3.37Å; G249-N266 PolarHBondContact O-N 3.06Å
267	T	97.6	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.6	-166.4	-62.6	0	0	0	0	110.9	Q185 R186 L187 L188 T244 F265 V269	Q185-T267 PolarHBondContact OE1-OG1 3Å; R186-T267 PolarHBondContact O-N 3.16Å; L187-T267 WeakPolarHBondContact CA-O 3.46Å; L188-T267 PolarHBondContact N-O 2.7Å; T244-T267 HydrophobicContact CG2-CG2 3.67Å; F265-T267 PolarHBondContact O-N 3.49Å; T267-V269 HydrophobicContact CG2-CG2 4.04Å
268	V	98	Very high	87.5	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	174.5	-177.9	0	0	0	0	109	L188 R245 G246 L248 I309 F314	L188-V268 HydrophobicContact CB-CG2 4.29Å; L188-V268 HydrophobicContact CD2-CG2 4.14Å; R245-V268 HydrophobicContact CB-CB 4.27Å; R245-V268 HydrophobicContact CB-CG1 4.18Å; R245-V268 HydrophobicContact CG-CG1 4.32Å; R245-V268 PolarHBondContact N-O 3.47Å; G246-V268 PolarHBondContact O-N 3.35Å; L248-V268 HydrophobicContact CD1-CG2 3.44Å; L248-V268 VanDerWaalsContact CD1-CG2 3.44Å; L248-V268 HydrophobicContact CD2-CG2 4.29Å; L248-V268 HydrophobicContact CG-CG2 3.6Å; V268-I309 HydrophobicContact CG1-CD1 4.4Å; V268-I309 HydrophobicContact CG1-CG1 4.06Å; V268-F314 HydrophobicContact CB-CD1 4.47Å; V268-F314 HydrophobicContact CB-CE1 3.94Å; V268-F314 HydrophobicContact CB-CZ 4.2Å; V268-F314 HydrophobicContact CG1-CE1 4.22Å; V268-F314 HydrophobicContact CG1-CZ 4.07Å; V268-F314 HydrophobicContact CG2-CD1 4.11Å; V268-F314 HydrophobicContact CG2-CE1 3.59Å; V268-F314 HydrophobicContact CG2-CZ 4.28Å
269	V	98	Very high	86	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.1	-179.9	-177.3	0	0	0	0	108.3	L187 L188 L189 T190 A225 V242 N243 T267	L187-V269 HydrophobicContact CD2-CG2 4.01Å; L188-V269 PolarHBondContact O-N 2.76Å; L189-V269 CarbonylContact C-O 3.58Å; L189-V269 WeakPolarHBondContact CA-O 3.32Å; L189-V269 HydrophobicContact CB-CB 4.42Å; L189-V269 HydrophobicContact CD1-CB 4.37Å; L189-V269 HydrophobicContact CD1-CG1 4.16Å; L189-V269 HydrophobicContact CG-CB 4.12Å; L189-V269 HydrophobicContact CG-CG1 4.18Å; T190-V269 PolarHBondContact N-O 2.95Å; T190-V269 PolarHBondContact OG1-O 2.65Å; A225-V269 HydrophobicContact CB-CG1 4.27Å; A225-V269 HydrophobicContact CB-CG2 3.8Å; V242-V269 HydrophobicContact CG1-CG1 3.57Å; N243-V269 CarbonylContact O-C 3.55Å; N243-V269 WeakPolarHBondContact O-CA 3.36Å; T267-V269 HydrophobicContact CG2-CG2 4.04Å
270	S	96.9	Very high	84.6	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.3	171.4	-57	0	0	0	0	109.8	N243 R245	N243-S270 WeakPolarHBondContact CB-O 3.48Å; N243-S270 PolarHBondContact N-O 3.28Å; N243-S270 PolarHBondContact O-N 3.41Å; R245-S270 WeakPolarHBondContact CG-OG 3.28Å; R245-S270 PolarHBondContact NE-OG 3.25Å
271	L	95.6	Very high	83.5	Confident	3 Å²	3	46 Å²	46	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.6	173.8	-165.9	70.1	0	0	0	108.9	L189 T190 F191 V229 M233 L240 V242 P284 W293	L189-L271 HydrophobicContact CD2-CB 4.21Å; L189-L271 HydrophobicContact CD2-CD2 4.47Å; T190-L271 PolarHBondContact O-N 3.45Å; F191-L271 HydrophobicContact CD2-CB 4.5Å; F191-L271 WeakPolarHBondContact CD2-O 3.34Å; V229-L271 HydrophobicContact CG1-CD1 4Å; V229-L271 HydrophobicContact CG2-CD1 4.31Å; M233-L271 HydrophobicContact CE-CD2 4.31Å; M233-L271 HydrophobicContact SD-CD2 3.82Å; L240-L271 HydrophobicContact CB-CD1 3.87Å; L240-L271 HydrophobicContact CB-CG 4.45Å; L240-L271 HydrophobicContact CD1-CD1 4.18Å; L240-L271 HydrophobicContact CD1-CD2 4.12Å; L240-L271 HydrophobicContact CD1-CG 4.39Å; L240-L271 HydrophobicContact CD2-CD1 4.4Å; L240-L271 HydrophobicContact CD2-CD2 4.29Å; L240-L271 HydrophobicContact CD2-CG 4.07Å; L240-L271 HydrophobicContact CG-CD1 4.36Å; V242-L271 HydrophobicContact CG2-CD1 3.92Å; L271-P284 HydrophobicContact CD2-CG 4Å; L271-W293 HydrophobicContact CD2-CH2 3.98Å; L271-W293 HydrophobicContact CD2-CZ2 4.05Å
272	E	92	Very high	83	Confident	76 Å²	76	53.1 Å²	53.1	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.3	-177.2	-69.7	162.8	-148.1	0	0	109.5	L240 N241 N243 R245	L240-E272 CarbonylContact C-O 3.53Å; L240-E272 WeakPolarHBondContact CA-O 3.29Å; N241-E272 HydrophobicContact CB-CB 4.5Å; N241-E272 PolarHBondContact N-O 2.86Å; N241-E272 PolarHBondContact O-N 3.3Å; N241-E272 VanDerWaalsContact O-N 3.11Å; N243-E272 VanDerWaalsContact ND2-CD 3.34Å; N243-E272 PolarHBondContact ND2-OE1 2.74Å; N243-E272 PolarHBondContact ND2-OE2 3.49Å; R245-E272 IonicContact CZ-OE1 3.73Å; R245-E272 IonicContact NH2-OE1 3.92Å; R245-E272 PolarHBondContact NH2-OE1 2.92Å
273	H	88.7	Confident	82.8	Confident	78 Å²	78	54.2 Å²	54.2	36%	0.361	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.3	173.4	-77.1	-71.9	0	0	0	111.2	F191 D239 G275	F191-H273 AromaticContact CE2-CD2 3.96Å; D239-H273 WeakPolarHBondContact O-CA 3.17Å; D239-H273 PolarHBondContact O-ND1 2.84Å; H273-G275 VanDerWaalsContact C-N 3.33Å; H273-G275 PolarHBondContact O-N 3.1Å
274	T	78.8	Confident	82.7	Confident	89 Å²	89	54.6 Å²	54.6	55%	0.546	31%	0.312	S	S	.	.	S	Bend	trans	-76.6	-12.8	-175	52.8	0	0	0	0	114.7	D239 L240 N241	D239-T274 WeakPolarHBondContact CA-OG1 3.36Å; D239-T274 PolarHBondContact O-N 2.63Å; D239-T274 PolarHBondContact O-OG1 2.97Å; L240-T274 VanDerWaalsContact C-CG2 3.5Å; N241-T274 HydrophobicContact CB-CG2 4.18Å
275	G	67.5	Low	82.5	Confident	51 Å²	51	61 Å²	61	53%	0.526	35%	0.345	S	S	.	.	S	Bend	trans	-118.1	161.5	-175.4	0	0	0	0	0	115.2	H273 G277	H273-G275 VanDerWaalsContact C-N 3.33Å; H273-G275 PolarHBondContact O-N 3.1Å; G275-G277 PolarHBondContact O-N 2.97Å
276	E	55.4	Low	82.5	Confident	212 Å²	212	62.4 Å²	62.4	99%	0.991	35%	0.353	S	S	*	.			trans	-73.3	42.1	169.5	-61.7	-173.8	167.4	0	0	112.2
277	G	55.8	Low	82.5	Confident	43 Å²	43	66.2 Å²	66.2	44%	0.443	37%	0.37	S	S	.	.			trans	-74.2	164	172.9	0	0	0	0	0	111.4	G275 H279	G275-G277 PolarHBondContact O-N 2.97Å; G277-H279 PolarHBondContact O-N 3.34Å
278	P	52.8	Low	82.4	Confident	122 Å²	122	67 Å²	67	79%	0.792	38%	0.376	S	S	*	.			trans	-54.5	121.2	172.8	23.3	-31.1	0	0	0	108.2	T280	P278-T280 PolarHBondContact O-N 3.41Å
279	H	58.8	Low	82.3	Confident	157 Å²	157	72.4 Å²	72.4	73%	0.727	41%	0.411	S	S	*	.			trans	-53.1	113.4	178.6	-62.9	-72.8	0	0	0	109	S194 G277	S194-H279 VanDerWaalsContact OG-CB 3.26Å; S194-H279 WeakPolarHBondContact OG-CB 3.28Å; S194-H279 PolarHBondContact OG-O 3.07Å; G277-H279 PolarHBondContact O-N 3.34Å
280	T	64	Low	82.2	Confident	58 Å²	58	76.5 Å²	76.5	36%	0.356	43%	0.426	S	S	.	.			trans	-73.7	132.1	-175.4	54.9	0	0	0	0	109	S193 P278 Q282	S193-T280 WeakPolarHBondContact CB-O 3.33Å; P278-T280 PolarHBondContact O-N 3.41Å; T280-Q282 WeakPolarHBondContact CB-O 3.34Å; T280-Q282 PolarHBondContact O-N 3.44Å; T280-Q282 PolarHBondContact OG1-O 3.26Å
281	S	71.8	Confident	82.2	Confident	69 Å²	69	76.7 Å²	76.7	48%	0.483	43%	0.426	S	S	.	.	S	Bend	trans	-69.4	-12.4	171.7	-53.1	0	0	0	0	112.3
282	Q	85.3	Confident	82.3	Confident	149 Å²	149	79.9 Å²	79.9	70%	0.696	44%	0.441	S	S	*	.	S	Bend	trans	-117.5	145.8	-176.5	-66.6	-167.5	-5.1	0	0	111.5	T280	T280-Q282 WeakPolarHBondContact CB-O 3.34Å; T280-Q282 PolarHBondContact O-N 3.44Å; T280-Q282 PolarHBondContact OG1-O 3.26Å
283	P	92.8	Very high	82.6	Confident	23 Å²	23	78.2 Å²	78.2	15%	0.149	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-69.8	162.6	174.5	33.6	-37.8	0	0	0	111.6	F191 W199 W293	F191-P283 HydrophobicContact CB-CB 4.37Å; F191-P283 HydrophobicContact CD1-CB 3.6Å; F191-P283 VanDerWaalsContact CE1-CA 3.47Å; F191-P283 HydrophobicContact CE1-CB 4.01Å; F191-P283 HydrophobicContact CG-CB 3.97Å; W199-P283 HydrophobicContact CD2-CG 3.99Å; W199-P283 HydrophobicContact CE3-CG 4.28Å; W199-P283 HydrophobicContact CG-CB 4.41Å; W199-P283 HydrophobicContact CG-CG 4.13Å; P283-W293 HydrophobicContact CB-CD2 3.7Å; P283-W293 VanDerWaalsContact CB-CE2 3.45Å; P283-W293 HydrophobicContact CB-CE3 4.29Å; P283-W293 HydrophobicContact CB-CG 3.97Å; P283-W293 HydrophobicContact CB-CH2 4.42Å; P283-W293 HydrophobicContact CB-CZ2 3.85Å; P283-W293 HydrophobicContact CG-CB 4.15Å; P283-W293 VanDerWaalsContact CG-CD1 3.46Å; P283-W293 HydrophobicContact CG-CD2 3.85Å; P283-W293 HydrophobicContact CG-CG 3.57Å
284	P	93.5	Very high	82.9	Confident	8 Å²	8	77.4 Å²	77.4	5%	0.052	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-55.8	148.2	178	-24.7	34	0	0	0	112.7	F191 M233 L240 L271 I286 W293	F191-P284 HydrophobicContact CE2-CG 4.45Å; M233-P284 HydrophobicContact SD-CB 3.76Å; M233-P284 HydrophobicContact SD-CG 4.22Å; L240-P284 HydrophobicContact CD1-CB 4.11Å; L240-P284 HydrophobicContact CD1-CG 3.95Å; L240-P284 HydrophobicContact CD2-CB 4.4Å; L240-P284 HydrophobicContact CD2-CG 3.51Å; L240-P284 HydrophobicContact CG-CG 4.35Å; L271-P284 HydrophobicContact CD2-CG 4Å; P284-I286 PolarHBondContact O-N 3.17Å; P284-W293 PolarHBondContact O-NE1 2.92Å
285	L	94.8	Very high	83.8	Confident	133 Å²	133	76.7 Å²	76.7	70%	0.696	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.7	126.6	177.9	-178.5	65.4	0	0	0	110.1	M233	M233-L285 WeakPolarHBondContact CB-O 3.42Å
286	I	96.9	Very high	85.1	Confident	31 Å²	31	74.4 Å²	74.4	16%	0.159	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-84.9	128	170.5	-63.5	169.5	0	0	0	108	L201 M233 P284 S288 F291 W293	L201-I286 HydrophobicContact CD1-CD1 3.38Å; L201-I286 HydrophobicContact CD1-CG1 4.04Å; M233-I286 HydrophobicContact CE-CG1 4.21Å; P284-I286 PolarHBondContact O-N 3.17Å; I286-S288 WeakPolarHBondContact CG2-O 3.47Å; I286-F291 HydrophobicContact CD1-CB 4.35Å; I286-F291 HydrophobicContact CG2-CB 3.9Å; I286-W293 HydrophobicContact CD1-CB 4.38Å; I286-W293 HydrophobicContact CD1-CD2 4.14Å; I286-W293 HydrophobicContact CD1-CG 3.7Å; I286-W293 HydrophobicContact CG1-CG 4.47Å
287	E	97.5	Very high	87	Confident	81 Å²	81	70 Å²	70	38%	0.379	37%	0.371	S	S	.	.			trans	-101.4	-21.3	179.9	-64.2	163.1	-104.7	0	0	112	A232 P234 S235	A232-E287 PolarHBondContact O-N 2.83Å; P234-E287 VanDerWaalsContact CD-OE1 3.29Å; P234-E287 WeakPolarHBondContact CD-OE1 3.48Å; P234-E287 HydrophobicContact CG-CB 4.48Å; S235-E287 WeakPolarHBondContact CA-OE1 3.31Å; S235-E287 WeakPolarHBondContact CB-OE1 3.42Å; S235-E287 WeakPolarHBondContact CB-OE2 3.41Å; S235-E287 PolarHBondContact N-OE1 3.05Å; S235-E287 VanDerWaalsContact OG-CD 3.27Å; S235-E287 PolarHBondContact OG-OE1 3.09Å; S235-E287 PolarHBondContact OG-OE2 2.99Å
288	S	96.5	Very high	88.9	Confident	17 Å²	17	70.6 Å²	70.6	12%	0.119	36%	0.363	C	S	.	.			trans	-90.8	127.2	178.4	171	0	0	0	0	111.5	E231 A232 I286 R290 F291	E231-S288 VanDerWaalsContact O-CB 3.29Å; E231-S288 WeakPolarHBondContact O-CB 3.26Å; A232-S288 PolarHBondContact O-N 3.26Å; I286-S288 WeakPolarHBondContact CG2-O 3.47Å; S288-R290 PolarHBondContact O-N 3.27Å; S288-R290 VanDerWaalsContact O-N 3.1Å; S288-R290 PolarHBondContact OG-N 3.09Å; S288-F291 PolarHBondContact O-N 2.86Å
289	P	95.3	Very high	90.9	Very high	115 Å²	115	68 Å²	68	75%	0.747	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10	179.9	30.7	-36.7	0	0	0	113.3	F291	P289-F291 PolarHBondContact O-N 3.27Å
290	R	95.6	Very high	92.7	Very high	87 Å²	87	67.3 Å²	67.3	33%	0.328	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.8	177.4	-61.6	-171.8	-65.4	151.9	4.9	112.9	D23 G203 N204 E231 S288	D23-R290 PolarHBondContact O-NH1 2.82Å; D23-R290 PolarHBondContact O-NH2 3.41Å; G203-R290 CarbonylContact C-O 3.22Å; N204-R290 WeakPolarHBondContact CA-O 3.26Å; N204-R290 PolarHBondContact N-O 3.37Å; E231-R290 IonicContact OE2-CZ 3.8Å; E231-R290 IonicContact OE2-NH1 2.67Å; E231-R290 IonicContact OE2-NH2 3.56Å; E231-R290 PolarHBondContact OE2-NH2 3.46Å; S288-R290 PolarHBondContact O-N 3.27Å; S288-R290 VanDerWaalsContact O-N 3.1Å; S288-R290 PolarHBondContact OG-N 3.09Å
291	F	97.7	Very high	94.2	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.2	-177.6	-56.8	-79.9	0	0	0	111.4	D23 L201 L202 P211 L228 A232 I286 S288 P289	D23-F291 HydrophobicContact CB-CE1 3.74Å; D23-F291 HydrophobicContact CB-CZ 3.95Å; L201-F291 HydrophobicContact CD1-CB 3.95Å; L201-F291 HydrophobicContact CG-CD1 4.45Å; L202-F291 VanDerWaalsContact O-CA 3.26Å; L202-F291 WeakPolarHBondContact O-CA 3.48Å; P211-F291 HydrophobicContact CB-CE1 4.35Å; L228-F291 HydrophobicContact CD1-CE1 4.08Å; L228-F291 HydrophobicContact CD1-CZ 4.32Å; L228-F291 HydrophobicContact CD2-CE1 3.92Å; L228-F291 HydrophobicContact CD2-CZ 4.26Å; L228-F291 HydrophobicContact CG-CE1 3.96Å; L228-F291 HydrophobicContact CG-CZ 3.95Å; A232-F291 HydrophobicContact CB-CB 4.38Å; A232-F291 HydrophobicContact CB-CD2 3.54Å; A232-F291 HydrophobicContact CB-CE2 3.9Å; A232-F291 HydrophobicContact CB-CG 3.95Å; I286-F291 HydrophobicContact CD1-CB 4.35Å; I286-F291 HydrophobicContact CG2-CB 3.9Å; S288-F291 PolarHBondContact O-N 2.86Å; P289-F291 PolarHBondContact O-N 3.27Å
292	Q	97.2	Very high	95.4	Very high	70 Å²	70	64.8 Å²	64.8	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.1	170.4	60.8	-179.6	-46.7	0	0	111.5	L202 N204 L208	L202-Q292 PolarHBondContact N-O 2.77Å; L202-Q292 PolarHBondContact O-N 2.6Å; N204-Q292 PolarHBondContact OD1-NE2 2.85Å; L208-Q292 HydrophobicContact CD2-CG 3.51Å; L208-Q292 VanDerWaalsContact CG-NE2 3.3Å
293	W	97.3	Very high	95.8	Very high	42 Å²	42	61.7 Å²	61.7	16%	0.159	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.5	171.6	-75.5	118.7	0	0	0	110.5	L189 F191 W199 L200 L201 M233 L271 P283 P284 I286	L189-W293 HydrophobicContact CD2-CH2 4Å; L189-W293 HydrophobicContact CD2-CZ3 4.39Å; F191-W293 HydrophobicContact CB-CH2 3.71Å; F191-W293 HydrophobicContact CB-CZ2 4.46Å; F191-W293 HydrophobicContact CB-CZ3 3.88Å; W199-W293 HydrophobicContact CB-CD2 4.49Å; W199-W293 HydrophobicContact CB-CE3 3.73Å; W199-W293 HydrophobicContact CB-CZ3 4.13Å; W199-W293 HydrophobicContact CE3-CB 3.96Å; W199-W293 HydrophobicContact CZ3-CB 4.44Å; L200-W293 VanDerWaalsContact C-CE3 3.46Å; L201-W293 HydrophobicContact CB-CE3 4.11Å; L201-W293 HydrophobicContact CB-CH2 4.01Å; L201-W293 HydrophobicContact CB-CZ3 3.7Å; L201-W293 HydrophobicContact CD1-CD2 4.3Å; L201-W293 HydrophobicContact CD1-CE3 4.44Å; L201-W293 HydrophobicContact CD1-CH2 4.46Å; L201-W293 HydrophobicContact CD1-CZ2 4.32Å; L201-W293 VanDerWaalsContact N-CZ3 3.33Å; M233-W293 HydrophobicContact CE-CZ2 3.85Å; L271-W293 HydrophobicContact CD2-CH2 3.98Å; L271-W293 HydrophobicContact CD2-CZ2 4.05Å; P283-W293 HydrophobicContact CB-CD2 3.7Å; P283-W293 VanDerWaalsContact CB-CE2 3.45Å; P283-W293 HydrophobicContact CB-CE3 4.29Å; P283-W293 HydrophobicContact CB-CG 3.97Å; P283-W293 HydrophobicContact CB-CH2 4.42Å; P283-W293 HydrophobicContact CB-CZ2 3.85Å; P283-W293 HydrophobicContact CG-CB 4.15Å; P283-W293 VanDerWaalsContact CG-CD1 3.46Å; P283-W293 HydrophobicContact CG-CD2 3.85Å; P283-W293 HydrophobicContact CG-CG 3.57Å; P284-W293 PolarHBondContact O-NE1 2.92Å; I286-W293 HydrophobicContact CD1-CB 4.38Å; I286-W293 HydrophobicContact CD1-CD2 4.14Å; I286-W293 HydrophobicContact CD1-CG 3.7Å; I286-W293 HydrophobicContact CG1-CG 4.47Å
294	Y	96.6	Very high	96	Very high	60 Å²	60	64.5 Å²	64.5	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.3	174.4	179.1	-95.3	0	0	0	110	V3 N4 W199 L200 L202	V3-Y294 HydrophobicContact CB-CE1 4.48Å; V3-Y294 HydrophobicContact CG1-CD1 4.06Å; V3-Y294 HydrophobicContact CG1-CE1 3.99Å; N4-Y294 PolarHBondContact OD1-OH 2.99Å; W199-Y294 CarbonylContact C-O 3.59Å; W199-Y294 WeakPolarHBondContact CA-O 3.3Å; L200-Y294 HydrophobicContact CD1-CD1 4.45Å; L200-Y294 PolarHBondContact N-O 2.83Å; L200-Y294 PolarHBondContact O-N 2.79Å; L202-Y294 HydrophobicContact CD1-CD1 4.35Å; L202-Y294 HydrophobicContact CD1-CD2 4.06Å; L202-Y294 HydrophobicContact CD1-CG 3.68Å
295	K	96.2	Very high	96.2	Very high	75 Å²	75	64.2 Å²	64.2	33%	0.326	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.6	175	-168.9	170.9	161.3	-127.4	0	109.8	V197 W199 E297	V197-K295 HydrophobicContact CG1-CD 3.86Å; V197-K295 HydrophobicContact CG1-CG 3.76Å; W199-K295 HydrophobicContact CD2-CB 4.3Å; W199-K295 HydrophobicContact CD2-CG 4.44Å; W199-K295 HydrophobicContact CE3-CB 3.71Å; W199-K295 HydrophobicContact CE3-CG 4.31Å; W199-K295 HydrophobicContact CH2-CB 3.91Å; W199-K295 HydrophobicContact CH2-CD 3.85Å; W199-K295 HydrophobicContact CH2-CG 4.12Å; W199-K295 HydrophobicContact CZ2-CB 4.44Å; W199-K295 HydrophobicContact CZ2-CD 3.95Å; W199-K295 HydrophobicContact CZ2-CG 4.21Å; W199-K295 HydrophobicContact CZ3-CB 3.52Å; W199-K295 HydrophobicContact CZ3-CD 4.35Å; W199-K295 HydrophobicContact CZ3-CG 4.19Å; K295-E297 VanDerWaalsContact CD-OE1 3.26Å; K295-E297 WeakPolarHBondContact CD-OE1 3.41Å; K295-E297 WeakPolarHBondContact CE-OE1 3.19Å; K295-E297 VanDerWaalsContact NZ-CD 3.31Å; K295-E297 IonicContact NZ-OE1 2.67Å; K295-E297 PolarHBondContact NZ-OE1 2.76Å; K295-E297 IonicContact NZ-OE2 3.76Å; K295-E297 PolarHBondContact NZ-OE2 3.1Å; K295-E297 VanDerWaalsContact NZ-OE2 3.09Å; K295-E297 PolarHBondContact O-N 2.84Å
296	V	96.3	Very high	96.2	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	29%	0.292	C	S	.	.			trans	-78.3	91.7	177	-171.9	0	0	0	0	109.3	L198 L200 L301 R302	L198-V296 HydrophobicContact CB-CB 4.38Å; L198-V296 HydrophobicContact CB-CG2 4.39Å; L198-V296 HydrophobicContact CD2-CB 4.38Å; L198-V296 HydrophobicContact CD2-CG2 4.03Å; L198-V296 HydrophobicContact CG-CG2 4.05Å; L198-V296 PolarHBondContact O-N 3.19Å; L200-V296 HydrophobicContact CD1-CG2 3.86Å; L200-V296 HydrophobicContact CD2-CG2 4.25Å; L200-V296 HydrophobicContact CG-CG2 3.61Å; V296-L301 HydrophobicContact CG1-CB 4.34Å; V296-L301 HydrophobicContact CG1-CD2 4.27Å; V296-L301 HydrophobicContact CG1-CG 4.28Å; V296-R302 HydrophobicContact CB-CB 4.49Å; V296-R302 HydrophobicContact CG1-CB 3.96Å
297	E	95	Very high	96.1	Very high	120 Å²	120	65 Å²	65	56%	0.561	31%	0.313	S	S	*	.			trans	-77	-23	-179	-63.1	-67.2	175.6	0	0	113.1	K295 P299	K295-E297 VanDerWaalsContact CD-OE1 3.26Å; K295-E297 WeakPolarHBondContact CD-OE1 3.41Å; K295-E297 WeakPolarHBondContact CE-OE1 3.19Å; K295-E297 VanDerWaalsContact NZ-CD 3.31Å; K295-E297 IonicContact NZ-OE1 2.67Å; K295-E297 PolarHBondContact NZ-OE1 2.76Å; K295-E297 IonicContact NZ-OE2 3.76Å; K295-E297 PolarHBondContact NZ-OE2 3.1Å; K295-E297 VanDerWaalsContact NZ-OE2 3.09Å; K295-E297 PolarHBondContact O-N 2.84Å; E297-P299 WeakPolarHBondContact O-CD 3.39Å
298	N	95.2	Very high	96	Very high	54 Å²	54	63.4 Å²	63.4	29%	0.289	30%	0.303	S	S	.	.			trans	-75.5	113.5	178.2	-178	-34.6	0	0	0	110.3	Q300 L301 R302	N298-Q300 PolarHBondContact O-N 3.02Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.41Å; N298-Q300 PolarHBondContact OD1-N 3.24Å; N298-L301 HydrophobicContact CB-CB 3.95Å; N298-L301 PolarHBondContact O-N 3.11Å; N298-L301 PolarHBondContact OD1-N 3.39Å; N298-L301 VanDerWaalsContact OD1-N 3.14Å; N298-R302 PolarHBondContact O-N 3.49Å
299	P	94.7	Very high	95.9	Very high	69 Å²	69	63.6 Å²	63.6	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-40.4	-176	-22.1	34.8	0	0	0	113.1	E297 L301 R302 D303	E297-P299 WeakPolarHBondContact O-CD 3.39Å; P299-L301 VanDerWaalsContact C-N 3.34Å; P299-L301 PolarHBondContact O-N 2.94Å; P299-R302 PolarHBondContact O-N 3.35Å; P299-D303 WeakPolarHBondContact O-CB 3.29Å; P299-D303 PolarHBondContact O-N 2.67Å
300	Q	95.6	Very high	95.9	Very high	141 Å²	141	64 Å²	64	66%	0.659	30%	0.303	S	S	*	.	H	α-helix	trans	-64.3	-41.5	-179.5	-65	178.7	-9.6	0	0	111.4	N298 K304	N298-Q300 PolarHBondContact O-N 3.02Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.41Å; N298-Q300 PolarHBondContact OD1-N 3.24Å; Q300-K304 WeakPolarHBondContact O-CG 3.28Å; Q300-K304 PolarHBondContact O-N 2.87Å; Q300-K304 VanDerWaalsContact O-N 3.1Å
301	L	96.3	Very high	95.8	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-45.6	177.6	-175.6	58.8	0	0	0	111.2	N4 V7 E8 L11 V296 N298 P299 D303 K304 I305	N4-L301 HydrophobicContact CB-CD2 3.78Å; N4-L301 WeakPolarHBondContact OD1-CD2 3.42Å; V7-L301 HydrophobicContact CB-CD1 4.31Å; V7-L301 HydrophobicContact CB-CD2 4.27Å; V7-L301 HydrophobicContact CG1-CD1 3.83Å; V7-L301 HydrophobicContact CG1-CD2 4.33Å; V7-L301 HydrophobicContact CG1-CG 4.33Å; E8-L301 HydrophobicContact CG-CD1 3.79Å; L11-L301 HydrophobicContact CD1-CD1 3.73Å; V296-L301 HydrophobicContact CG1-CB 4.34Å; V296-L301 HydrophobicContact CG1-CD2 4.27Å; V296-L301 HydrophobicContact CG1-CG 4.28Å; N298-L301 HydrophobicContact CB-CB 3.95Å; N298-L301 PolarHBondContact O-N 3.11Å; N298-L301 PolarHBondContact OD1-N 3.39Å; N298-L301 VanDerWaalsContact OD1-N 3.14Å; P299-L301 VanDerWaalsContact C-N 3.34Å; P299-L301 PolarHBondContact O-N 2.94Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 3.28Å; L301-K304 PolarHBondContact O-N 3.48Å; L301-I305 HydrophobicContact CD1-CD1 4.49Å; L301-I305 HydrophobicContact CG-CD1 4.15Å; L301-I305 WeakPolarHBondContact O-CG1 3.37Å; L301-I305 PolarHBondContact O-N 3.11Å
302	R	96.1	Very high	95.7	Very high	74 Å²	74	65.3 Å²	65.3	28%	0.279	33%	0.329	S	S	.	.	H	α-helix	trans	-56.1	-49.1	176.1	178.8	-174.6	66.7	-152.3	-2.9	111.4	L198 V296 N298 P299 K304 I305 Q306	L198-R302 HydrophobicContact CB-CG 3.76Å; L198-R302 HydrophobicContact CD2-CB 4.37Å; L198-R302 HydrophobicContact CD2-CG 3.91Å; V296-R302 HydrophobicContact CB-CB 4.49Å; V296-R302 HydrophobicContact CG1-CB 3.96Å; N298-R302 PolarHBondContact O-N 3.49Å; P299-R302 PolarHBondContact O-N 3.35Å; R302-K304 VanDerWaalsContact C-N 3.32Å; R302-K304 PolarHBondContact O-N 2.93Å; R302-I305 PolarHBondContact O-N 3.09Å; R302-Q306 HydrophobicContact CG-CG 4.44Å; R302-Q306 WeakPolarHBondContact O-CB 3.41Å; R302-Q306 WeakPolarHBondContact O-CG 3.31Å; R302-Q306 PolarHBondContact O-N 3.32Å
303	D	95.6	Very high	95.6	Very high	84 Å²	84	62.8 Å²	62.8	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-38.8	-177.6	-64.5	-5.3	0	0	0	110.9	P299 L301 Q307	P299-D303 WeakPolarHBondContact O-CB 3.29Å; P299-D303 PolarHBondContact O-N 2.67Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 3.28Å; D303-Q307 WeakPolarHBondContact O-CB 3.39Å; D303-Q307 PolarHBondContact O-N 2.9Å
304	K	96.3	Very high	95.6	Very high	83 Å²	83	61.1 Å²	61.1	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-47.3	173	-75.1	174	177.2	177.8	0	112.4	E8 L11 Q300 L301 R302 Q307 R308	E8-K304 IonicContact OE1-NZ 2.7Å; E8-K304 PolarHBondContact OE1-NZ 3.4Å; E8-K304 IonicContact OE2-NZ 2.75Å; E8-K304 PolarHBondContact OE2-NZ 2.79Å; L11-K304 HydrophobicContact CD1-CB 4.06Å; Q300-K304 WeakPolarHBondContact O-CG 3.28Å; Q300-K304 PolarHBondContact O-N 2.87Å; Q300-K304 VanDerWaalsContact O-N 3.1Å; L301-K304 PolarHBondContact O-N 3.48Å; R302-K304 VanDerWaalsContact C-N 3.32Å; R302-K304 PolarHBondContact O-N 2.93Å; K304-Q307 PolarHBondContact O-N 3.27Å; K304-R308 WeakPolarHBondContact O-CG 3.2Å; K304-R308 PolarHBondContact O-N 3.4Å
305	I	96.9	Very high	95.6	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-48.5	179.3	-62	165.1	0	0	0	110.1	V7 L11 L188 T190 L198 L200 L301 R302 Q307 R308 I309	V7-I305 HydrophobicContact CG1-CD1 3.8Å; V7-I305 HydrophobicContact CG1-CG1 4.12Å; L11-I305 HydrophobicContact CD1-CG1 3.86Å; L11-I305 HydrophobicContact CD2-CG1 4.32Å; L188-I305 HydrophobicContact CD2-CG2 4.36Å; T190-I305 HydrophobicContact CG2-CG2 4.01Å; L198-I305 HydrophobicContact CD2-CB 3.8Å; L198-I305 HydrophobicContact CD2-CD1 3.74Å; L198-I305 HydrophobicContact CD2-CG1 4.39Å; L198-I305 HydrophobicContact CD2-CG2 3.81Å; L200-I305 HydrophobicContact CD2-CD1 4.44Å; L301-I305 HydrophobicContact CD1-CD1 4.49Å; L301-I305 HydrophobicContact CG-CD1 4.15Å; L301-I305 WeakPolarHBondContact O-CG1 3.37Å; L301-I305 PolarHBondContact O-N 3.11Å; R302-I305 PolarHBondContact O-N 3.09Å; I305-Q307 VanDerWaalsContact C-N 3.35Å; I305-Q307 PolarHBondContact O-N 2.89Å; I305-R308 WeakPolarHBondContact O-CB 3.43Å; I305-R308 PolarHBondContact O-N 2.49Å; I305-I309 HydrophobicContact CG2-CD1 3.88Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 2.81Å
306	Q	95.1	Very high	95.6	Very high	52 Å²	52	56.8 Å²	56.8	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-44.9	178.7	-74.4	177.7	-24.8	0	0	111.2	L198 R302 R308 I309 T310	L198-Q306 HydrophobicContact CD2-CG 4.49Å; R302-Q306 HydrophobicContact CG-CG 4.44Å; R302-Q306 WeakPolarHBondContact O-CB 3.41Å; R302-Q306 WeakPolarHBondContact O-CG 3.31Å; R302-Q306 PolarHBondContact O-N 3.32Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.31Å; Q306-I309 PolarHBondContact O-N 3.33Å; Q306-I309 VanDerWaalsContact O-N 3.16Å; Q306-T310 WeakPolarHBondContact O-CB 3.45Å; Q306-T310 PolarHBondContact O-N 3.09Å; Q306-T310 PolarHBondContact O-OG1 3.17Å; Q306-T310 VanDerWaalsContact O-OG1 3.06Å
307	Q	94.8	Very high	95.5	Very high	129 Å²	129	58.4 Å²	58.4	60%	0.603	31%	0.31	S	S	*	.	H	α-helix	trans	-57.4	-44.6	176.1	-174.3	-178.1	15.1	0	0	111.5	D303 K304 I305 I309 T311	D303-Q307 WeakPolarHBondContact O-CB 3.39Å; D303-Q307 PolarHBondContact O-N 2.9Å; K304-Q307 PolarHBondContact O-N 3.27Å; I305-Q307 VanDerWaalsContact C-N 3.35Å; I305-Q307 PolarHBondContact O-N 2.89Å; Q307-I309 PolarHBondContact O-N 3.31Å; Q307-T311 HydrophobicContact CG-CG2 4.25Å; Q307-T311 WeakPolarHBondContact O-CB 3.29Å; Q307-T311 VanDerWaalsContact O-CG2 3.32Å; Q307-T311 WeakPolarHBondContact O-CG2 3.14Å; Q307-T311 PolarHBondContact O-N 3.19Å; Q307-T311 PolarHBondContact O-OG1 3.36Å
308	R	94.9	Very high	95.6	Very high	47 Å²	47	55.4 Å²	55.4	18%	0.177	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-47.8	175.8	-72.7	-62.1	-168.8	139.8	2.6	112	L11 P171 K304 I305 Q306 T311 G312 S313 F314	L11-R308 HydrophobicContact CD2-CG 3.86Å; L11-R308 PolarHBondContact O-NH2 2.67Å; P171-R308 VanDerWaalsContact CG-CZ 3.48Å; K304-R308 WeakPolarHBondContact O-CG 3.2Å; K304-R308 PolarHBondContact O-N 3.4Å; I305-R308 WeakPolarHBondContact O-CB 3.43Å; I305-R308 PolarHBondContact O-N 2.49Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.31Å; R308-T311 PolarHBondContact O-OG1 3.43Å; R308-G312 PolarHBondContact O-N 3.04Å; R308-G312 VanDerWaalsContact O-N 3.09Å; R308-S313 PolarHBondContact NH1-O 3.29Å; R308-S313 PolarHBondContact O-N 3.48Å; R308-S313 VanDerWaalsContact O-N 3.1Å; R308-F314 VanDerWaalsContact C-CZ 3.42Å; R308-F314 HydrophobicContact CB-CE1 3.84Å; R308-F314 HydrophobicContact CB-CZ 3.84Å; R308-F314 VanDerWaalsContact O-CE2 3.27Å; R308-F314 WeakPolarHBondContact O-CE2 3.41Å; R308-F314 VanDerWaalsContact O-CZ 3.25Å; R308-F314 WeakPolarHBondContact O-CZ 3.41Å
309	I	95.3	Very high	95.5	Very high	22 Å²	22	54.4 Å²	54.4	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-49.4	-178.9	-66.4	168.7	0	0	0	110.9	T190 V268 I305 Q306 Q307 T311 G312 F314	T190-I309 HydrophobicContact CG2-CD1 4.04Å; V268-I309 HydrophobicContact CG1-CD1 4.4Å; V268-I309 HydrophobicContact CG1-CG1 4.06Å; I305-I309 HydrophobicContact CG2-CD1 3.88Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 2.81Å; Q306-I309 PolarHBondContact O-N 3.33Å; Q306-I309 VanDerWaalsContact O-N 3.16Å; Q307-I309 PolarHBondContact O-N 3.31Å; I309-T311 PolarHBondContact O-N 3.05Å; I309-G312 PolarHBondContact O-N 3.17Å; I309-F314 HydrophobicContact CG1-CZ 4.2Å
310	T	94.4	Very high	95.4	Very high	123 Å²	123	54.3 Å²	54.3	76%	0.755	29%	0.288	S	S	*	.	H	α-helix	trans	-66.3	-38.4	-177.3	-57.6	0	0	0	0	112.5	Q306 G312	Q306-T310 WeakPolarHBondContact O-CB 3.45Å; Q306-T310 PolarHBondContact O-N 3.09Å; Q306-T310 PolarHBondContact O-OG1 3.17Å; Q306-T310 VanDerWaalsContact O-OG1 3.06Å; T310-G312 VanDerWaalsContact C-N 3.33Å
311	T	94.9	Very high	94.9	Very high	87 Å²	87	55 Å²	55	53%	0.534	29%	0.286	S	S	.	.	H	α-helix	trans	-82.4	-10.6	179.8	58.5	0	0	0	0	113.5	Q307 R308 I309 S313	Q307-T311 HydrophobicContact CG-CG2 4.25Å; Q307-T311 WeakPolarHBondContact O-CB 3.29Å; Q307-T311 VanDerWaalsContact O-CG2 3.32Å; Q307-T311 WeakPolarHBondContact O-CG2 3.14Å; Q307-T311 PolarHBondContact O-N 3.19Å; Q307-T311 PolarHBondContact O-OG1 3.36Å; R308-T311 PolarHBondContact O-OG1 3.43Å; I309-T311 PolarHBondContact O-N 3.05Å; T311-S313 VanDerWaalsContact C-N 3.28Å; T311-S313 PolarHBondContact O-N 2.96Å; T311-S313 WeakPolarHBondContact OG1-CB 3.26Å
312	G	95.2	Very high	94.8	Very high	36 Å²	36	57.7 Å²	57.7	37%	0.371	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	33.9	-174.5	0	0	0	0	0	112.6	R308 I309 T310 F314	R308-G312 PolarHBondContact O-N 3.04Å; R308-G312 VanDerWaalsContact O-N 3.09Å; I309-G312 PolarHBondContact O-N 3.17Å; T310-G312 VanDerWaalsContact C-N 3.33Å; G312-F314 PolarHBondContact O-N 3.25Å
313	S	95.9	Very high	94.7	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.119	30%	0.301	C	S	.	.			trans	-82.9	66.4	-171.2	-167.9	0	0	0	0	112.4	W169 H170 R308 T311	W169-S313 VanDerWaalsContact O-CA 3.27Å; W169-S313 WeakPolarHBondContact O-CA 3.5Å; W169-S313 VanDerWaalsContact O-CB 3.3Å; W169-S313 WeakPolarHBondContact O-CB 3.42Å; W169-S313 PolarHBondContact O-OG 3.45Å; H170-S313 WeakPolarHBondContact CA-OG 3.37Å; R308-S313 PolarHBondContact NH1-O 3.29Å; R308-S313 PolarHBondContact O-N 3.48Å; R308-S313 VanDerWaalsContact O-N 3.1Å; T311-S313 VanDerWaalsContact C-N 3.28Å; T311-S313 PolarHBondContact O-N 2.96Å; T311-S313 WeakPolarHBondContact OG1-CB 3.26Å
314	F	96.5	Very high	94.7	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-134.7	152.7	-175.1	-49.5	-67.1	0	0	0	112.5	W169 H170 R245 L248 V268 R308 I309 G312 P316	W169-F314 PolarHBondContact NE1-O 2.92Å; H170-F314 PolarHBondContact CD2-O 3.2Å; H170-F314 VanDerWaalsContact CD2-O 3.31Å; R245-F314 HydrophobicContact CB-CD2 4.04Å; R245-F314 HydrophobicContact CB-CE2 3.7Å; R245-F314 HydrophobicContact CB-CZ 4.25Å; L248-F314 HydrophobicContact CD2-CD1 3.87Å; L248-F314 HydrophobicContact CD2-CE1 3.9Å; L248-F314 HydrophobicContact CG-CD1 4.31Å; L248-F314 HydrophobicContact CG-CE1 4.42Å; V268-F314 HydrophobicContact CB-CD1 4.47Å; V268-F314 HydrophobicContact CB-CE1 3.94Å; V268-F314 HydrophobicContact CB-CZ 4.2Å; V268-F314 HydrophobicContact CG1-CE1 4.22Å; V268-F314 HydrophobicContact CG1-CZ 4.07Å; V268-F314 HydrophobicContact CG2-CD1 4.11Å; V268-F314 HydrophobicContact CG2-CE1 3.59Å; V268-F314 HydrophobicContact CG2-CZ 4.28Å; R308-F314 VanDerWaalsContact C-CZ 3.42Å; R308-F314 HydrophobicContact CB-CE1 3.84Å; R308-F314 HydrophobicContact CB-CZ 3.84Å; R308-F314 VanDerWaalsContact O-CE2 3.27Å; R308-F314 WeakPolarHBondContact O-CE2 3.41Å; R308-F314 VanDerWaalsContact O-CZ 3.25Å; R308-F314 WeakPolarHBondContact O-CZ 3.41Å; I309-F314 HydrophobicContact CG1-CZ 4.2Å; G312-F314 PolarHBondContact O-N 3.25Å; F314-P316 WeakPolarHBondContact O-CD 3.38Å
315	L	97.2	Very high	94.6	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-69.4	120	164	172.1	67	0	0	0	108.5	L101 V104 A173 I247	L101-L315 HydrophobicContact CB-CD1 3.76Å; L101-L315 HydrophobicContact CB-CD2 3.9Å; L101-L315 HydrophobicContact CD1-CD2 4.01Å; V104-L315 HydrophobicContact CG2-CD2 3.91Å; V104-L315 HydrophobicContact CG2-CG 4.34Å; A173-L315 HydrophobicContact CB-CD2 4.32Å; I247-L315 HydrophobicContact CB-CB 4.13Å; I247-L315 HydrophobicContact CB-CD2 4.43Å; I247-L315 HydrophobicContact CB-CG 4.5Å; I247-L315 HydrophobicContact CG2-CD2 4.3Å; I247-L315 PolarHBondContact N-O 3.47Å; I247-L315 PolarHBondContact O-N 3.03Å
316	P	95.6	Very high	94.4	Very high	41 Å²	41	57 Å²	57	27%	0.266	31%	0.306	S	S	.	.			trans	-72.2	146.6	-178.8	26.4	-34.8	0	0	0	112.9	V102 L103 V104 W169 F314	V102-P316 WeakPolarHBondContact O-CD 3.41Å; V102-P316 WeakPolarHBondContact O-CG 3.44Å; L103-P316 HydrophobicContact CD1-CB 4.02Å; L103-P316 HydrophobicContact CD1-CG 3.82Å; V104-P316 PolarHBondContact N-O 2.73Å; W169-P316 HydrophobicContact CZ2-CG 4.26Å; F314-P316 WeakPolarHBondContact O-CD 3.38Å
317	V	95	Very high	94.4	Very high	37 Å²	37	57.3 Å²	57.3	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.5	166.6	-174.9	0	0	0	0	108.6	V104 E106 V221 T222 I247	V104-V317 HydrophobicContact CB-CG2 4.4Å; V104-V317 CarbonylContact O-C 3.28Å; V104-V317 VanDerWaalsContact O-CA 3.31Å; V104-V317 WeakPolarHBondContact O-CA 3.48Å; E106-V317 HydrophobicContact CG-CG1 3.74Å; V221-V317 HydrophobicContact CG2-CG1 4.34Å; T222-V317 HydrophobicContact CG2-CB 4.49Å; T222-V317 HydrophobicContact CG2-CG1 4.27Å; I247-V317 HydrophobicContact CD1-CG2 3.02Å; I247-V317 HydrophobicContact CG1-CG2 3.53Å
318	H	95.1	Very high	94.4	Very high	56 Å²	56	52.2 Å²	52.2	26%	0.259	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.4	176.6	178.4	-110.4	0	0	0	111.3	L103 V104 Q105 E106 R156	L103-H318 HydrophobicContact CD1-CB 4.1Å; V104-H318 PolarHBondContact O-N 2.94Å; Q105-H318 VanDerWaalsContact CA-O 3.27Å; Q105-H318 WeakPolarHBondContact CA-O 3.17Å; Q105-H318 HydrophobicContact CG-CB 4.07Å; E106-H318 PolarHBondContact N-O 3.15Å; R156-H318 PolarHBondContact NH1-CD2 3Å; R156-H318 VanDerWaalsContact NH1-CD2 3.29Å; R156-H318 PolarHBondContact NH1-CE1 2.92Å; R156-H318 PolarHBondContact NH1-ND1 3.28Å; R156-H318 PolarHBondContact NH1-NE2 3.32Å; R156-H318 PolarHBondContact NH2-CD2 3.43Å; R156-H318 VanDerWaalsContact NH2-CD2 3.35Å
319	S	94	Very high	94.3	Very high	33 Å²	33	52.6 Å²	52.6	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	141.5	168.4	173	0	0	0	0	111	E106 T220 Y321	E106-S319 CarbonylContact O-C 3.49Å; E106-S319 WeakPolarHBondContact O-CA 3.49Å; E106-S319 VanDerWaalsContact OE1-CA 3.25Å; E106-S319 WeakPolarHBondContact OE1-CA 3.48Å; E106-S319 WeakPolarHBondContact OE1-CB 3.26Å; T220-S319 WeakPolarHBondContact CG2-OG 3.47Å; S319-Y321 PolarHBondContact OG-N 3.26Å; S319-Y321 VanDerWaalsContact OG-N 3.09Å
320	L	92.4	Very high	94.3	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.356	31%	0.314	S	S	.	.			trans	-103.6	0.1	170.8	-58.2	-178.2	0	0	0	113.2	Q105 E106 Q107 W111	Q105-L320 HydrophobicContact CB-CD1 4.46Å; Q105-L320 HydrophobicContact CB-CG 4.48Å; Q105-L320 HydrophobicContact CG-CD2 4.48Å; E106-L320 PolarHBondContact O-N 2.67Å; Q107-L320 HydrophobicContact CB-CB 4.32Å; W111-L320 HydrophobicContact CE3-CD1 4.08Å; W111-L320 HydrophobicContact CH2-CD1 3.93Å; W111-L320 HydrophobicContact CZ3-CD1 3.4Å
321	Y	84.8	Confident	94.2	Very high	154 Å²	154	49 Å²	49	60%	0.604	27%	0.274	S	S	*	.			trans	-67.3	0	163.2	-66.3	-67.5	0	0	0	111.5	Q107 Q110 T220 S319	Q107-Y321 VanDerWaalsContact C-CE2 3.44Å; Q107-Y321 HydrophobicContact CG-CD1 4.07Å; Q107-Y321 HydrophobicContact CG-CE1 3.8Å; Q107-Y321 HydrophobicContact CG-CE2 4.3Å; Q107-Y321 HydrophobicContact CG-CG 4.43Å; Q107-Y321 PolarHBondContact O-OH 3.04Å; Q110-Y321 PolarHBondContact NE2-OH 2.9Å; T220-Y321 HydrophobicContact CG2-CD2 3.94Å; S319-Y321 PolarHBondContact OG-N 3.26Å; S319-Y321 VanDerWaalsContact OG-N 3.09Å

Retrieved 321 of 321 residues in 165.8 ms (Link to these results)

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