A0A087XYZ0_POEFO Loading...

4-hydroxyphenylpyruvate dioxygenase

Catalyzes the conversion of 4-hydroxyphenylpyruvic acid to homogentisic acid, one of the steps in tyrosine catabolism.

AlphaFold DB , UniProt , Accession A0A087XYZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 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	36.9	Very low	35.1	Very low	244 Å²	244	178.5 Å²	178.5	100%	1.202	87%	0.87	S	S	*	*				0	89.9	0	-107.6	173.2	169	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 3.45Å
2	M	30	Very low	37.5	Very low	193 Å²	193	172 Å²	172	95%	0.951	84%	0.839	S	S	*	*			trans	-72.6	121.9	175.3	-76.6	-180	173.5	0	0	108.4	T4	M2-T4 PolarHBondContact O-N 2.84Å
3	R	29.9	Very low	40.6	Very low	244 Å²	244	160.8 Å²	160.8	92%	0.921	79%	0.791	S	S	*	*			trans	-68.8	115.2	172.7	-74.9	179.5	174.2	-179.9	-2.2	108.2	M1	M1-R3 PolarHBondContact O-N 3.45Å
4	T	28.2	Very low	43.5	Very low	129 Å²	129	149.5 Å²	149.5	79%	0.791	74%	0.735	S	S	*	*			trans	-58.3	135.8	165.7	22.4	0	0	0	0	109.5	M2 S6	M2-T4 PolarHBondContact O-N 2.84Å; T4-S6 PolarHBondContact O-N 2.56Å
5	P	33.7	Very low	46.1	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	72%	0.718	S	S	*	*			trans	-67.1	128.5	174.5	-9.1	23.9	0	0	0	109	L7	P5-L7 PolarHBondContact O-N 2.81Å
6	S	30.3	Very low	48.7	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	68%	0.676	S	S	*	*			trans	-40.5	119.1	165.8	167.5	0	0	0	0	110.8	T4 K8	T4-S6 PolarHBondContact O-N 2.56Å; S6-K8 PolarHBondContact O-N 3.27Å
7	L	32.6	Very low	50.7	Low	160 Å²	160	133.7 Å²	133.7	84%	0.838	66%	0.658	S	S	*	*			trans	-54.8	104.6	165.1	-110.9	81.6	0	0	0	107.2	P5 R9	P5-L7 PolarHBondContact O-N 2.81Å; L7-R9 PolarHBondContact O-N 2.65Å; L7-R9 VanDerWaalsContact O-N 3.16Å
8	K	35.9	Very low	52.7	Low	190 Å²	190	130.1 Å²	130.1	83%	0.826	64%	0.636	S	S	*	*			trans	-48.4	124.3	166	-73.3	-178.5	175.4	-177.6	0	107.5	S6 K10	S6-K8 PolarHBondContact O-N 3.27Å; K8-K10 PolarHBondContact O-N 3.3Å
9	R	36.1	Very low	54.8	Low	244 Å²	244	124.8 Å²	124.8	92%	0.921	61%	0.61	S	S	*	*			trans	-46.5	111.5	173.1	-79.7	176.2	171.9	169.2	-3.5	107.9	L7 N11	L7-R9 PolarHBondContact O-N 2.65Å; L7-R9 VanDerWaalsContact O-N 3.16Å; R9-N11 PolarHBondContact O-N 3.43Å
10	K	42	Very low	56.7	Low	185 Å²	185	118.8 Å²	118.8	80%	0.804	58%	0.581	S	S	*	*			trans	-55.5	130.2	170.6	-81.5	179.3	173.4	178.7	0	107.2	K8 M12	K8-K10 PolarHBondContact O-N 3.3Å; K10-M12 PolarHBondContact O-N 3.35Å; K10-M12 VanDerWaalsContact O-N 3.09Å
11	N	50.7	Low	58.5	Low	150 Å²	150	113.3 Å²	113.3	80%	0.802	55%	0.554	S	S	*	*			trans	-50.5	119	176.3	-104	0.9	0	0	0	109.2	R9 A13	R9-N11 PolarHBondContact O-N 3.43Å; N11-A13 PolarHBondContact O-N 3.41Å
12	M	63.6	Low	61.4	Low	100 Å²	100	101.7 Å²	101.7	49%	0.493	50%	0.497	S	S	.	.			trans	-86.6	29.7	178.2	-58.2	-159.1	-50.9	0	0	111.2	K10 V138 L142	K10-M12 PolarHBondContact O-N 3.35Å; K10-M12 VanDerWaalsContact O-N 3.09Å; M12-V138 HydrophobicContact CB-CG1 4.33Å; M12-V138 WeakPolarHBondContact O-CG1 3.43Å; M12-L142 HydrophobicContact CE-CD2 3.65Å; M12-L142 HydrophobicContact CE-CG 4.36Å; M12-L142 WeakPolarHBondContact O-CD1 3.46Å
13	A	77.6	Confident	64.4	Low	26 Å²	26	92.7 Å²	92.7	22%	0.215	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-77.1	153.4	179	0	0	0	0	0	111.1	N11 L233	N11-A13 PolarHBondContact O-N 3.41Å; A13-L233 WeakPolarHBondContact CA-O 3.27Å
14	V	81.8	Confident	67.5	Low	3 Å²	3	81.2 Å²	81.2	2%	0.018	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-79.6	121.8	173.1	170.8	0	0	0	0	109.9	L16 V129 S135 V138 L139 L233 F234	V14-L16 HydrophobicContact CG1-CD2 4.3Å; V14-L16 PolarHBondContact O-N 3.07Å; V14-V129 HydrophobicContact CG1-CG1 4.18Å; V14-S135 WeakPolarHBondContact CG1-OG 3.14Å; V14-V138 HydrophobicContact CG2-CB 4.4Å; V14-V138 HydrophobicContact CG2-CG1 4.21Å; V14-L139 HydrophobicContact CB-CD2 4.47Å; V14-L139 HydrophobicContact CG2-CD1 3.81Å; V14-L139 HydrophobicContact CG2-CD2 3.74Å; V14-L139 HydrophobicContact CG2-CG 3.45Å; V14-L139 VanDerWaalsContact CG2-CG 3.45Å; V14-L233 PolarHBondContact N-O 3.47Å; V14-F234 HydrophobicContact CB-CD1 4.28Å
15	P	82.6	Confident	70.4	Confident	73 Å²	73	77 Å²	77	47%	0.474	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.4	174.8	30.2	-32.6	0	0	0	110.2
16	L	86.9	Confident	73.1	Confident	9 Å²	9	71.5 Å²	71.5	5%	0.047	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-92.9	141.6	171.5	-53.7	-179.5	0	0	0	110	V14 F127 V129 L176 F234 F236 Y267	V14-L16 HydrophobicContact CG1-CD2 4.3Å; V14-L16 PolarHBondContact O-N 3.07Å; L16-F127 HydrophobicContact CD1-CB 4.42Å; L16-F127 HydrophobicContact CD1-CD1 3.82Å; L16-F127 HydrophobicContact CD1-CD2 4.19Å; L16-F127 HydrophobicContact CD1-CE1 3.96Å; L16-F127 HydrophobicContact CD1-CE2 4.29Å; L16-F127 HydrophobicContact CD1-CG 3.91Å; L16-F127 HydrophobicContact CD1-CZ 4.15Å; L16-F127 HydrophobicContact CD2-CB 3.84Å; L16-F127 HydrophobicContact CD2-CD2 4.41Å; L16-F127 HydrophobicContact CD2-CG 4.14Å; L16-V129 HydrophobicContact CD2-CG1 3.84Å; L16-L176 HydrophobicContact CD2-CD2 4.14Å; L16-F234 HydrophobicContact CD1-CB 4.19Å; L16-F234 HydrophobicContact CD1-CD1 4.1Å; L16-F234 HydrophobicContact CD1-CG 4.37Å; L16-F234 HydrophobicContact CD2-CD1 3.77Å; L16-F234 HydrophobicContact CD2-CE1 4.2Å; L16-F234 HydrophobicContact CG-CD1 4.15Å; L16-F236 HydrophobicContact CD1-CE2 3.77Å; L16-F236 HydrophobicContact CD1-CZ 4.39Å; L16-Y267 HydrophobicContact CB-CD1 4.46Å; L16-Y267 HydrophobicContact CB-CE1 3.89Å; L16-Y267 HydrophobicContact CB-CE2 4.25Å; L16-Y267 HydrophobicContact CG-CE2 4.42Å; L16-Y267 PolarHBondContact N-OH 2.85Å; L16-Y267 VanDerWaalsContact O-CE1 3.23Å; L16-Y267 WeakPolarHBondContact O-CE1 3.17Å; L16-Y267 PolarHBondContact O-OH 2.95Å
17	R	83.9	Confident	75.8	Confident	98 Å²	98	71 Å²	71	37%	0.37	34%	0.342	S	S	.	.			trans	-84.8	-53.8	172.1	-62.5	-171	74.3	-167.7	7.2	110.6	E128 E130 K269	R17-E128 HydrophobicContact CB-CB 4.23Å; R17-E128 HydrophobicContact CB-CG 4.47Å; R17-E128 WeakPolarHBondContact CB-O 2.88Å; R17-E128 IonicContact CZ-OE1 3.18Å; R17-E128 PolarHBondContact N-O 3.37Å; R17-E128 IonicContact NE-OE1 2.86Å; R17-E128 IonicContact NH1-OE1 2.86Å; R17-E128 PolarHBondContact NH1-OE1 2.91Å; R17-E130 HydrophobicContact CG-CG 4.12Å; R17-K269 WeakPolarHBondContact O-CE 3.24Å; R17-K269 PolarHBondContact O-NZ 3.04Å
18	R	86.5	Confident	78.3	Confident	69 Å²	69	67 Å²	67	26%	0.26	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	165	178.6	62.1	-176.3	-174.8	97.1	7.1	111.5	H20 F127 E128 E284	R18-H20 PolarHBondContact NH2-CD2 2.88Å; R18-H20 PolarHBondContact O-N 2.89Å; R18-F127 WeakPolarHBondContact O-CA 3.14Å; R18-E128 HydrophobicContact CG-CB 4.09Å; R18-E128 IonicContact CZ-OE2 3.18Å; R18-E128 IonicContact NE-OE2 3.76Å; R18-E128 PolarHBondContact NE-OE2 3.45Å; R18-E128 IonicContact NH2-OE2 3.35Å; R18-E128 PolarHBondContact NH2-OE2 3.21Å; R18-E128 PolarHBondContact O-N 2.98Å; R18-E284 WeakPolarHBondContact CB-OE2 3.34Å
19	L	91.4	Very high	80.7	Confident	29 Å²	29	58 Å²	58	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.1	162.8	-166	168.8	0	0	0	108.4	V22 V125 F127 F211 I214	L19-V22 HydrophobicContact CD2-CG2 4.21Å; L19-V125 HydrophobicContact CD1-CG1 4.18Å; L19-V125 HydrophobicContact CG-CG1 4.24Å; L19-F127 HydrophobicContact CB-CD1 4.43Å; L19-F211 HydrophobicContact CD1-CB 4.46Å; L19-F211 HydrophobicContact CD1-CD2 4.16Å; L19-F211 HydrophobicContact CD2-CD2 3.54Å; L19-F211 HydrophobicContact CD2-CE2 3.85Å; L19-F211 HydrophobicContact CG-CD2 4.46Å; L19-I214 HydrophobicContact CD1-CD1 3.85Å
20	H	93.3	Very high	83.1	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.023	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-50.2	-175.6	-176	-62.4	0	0	0	112.5	R18 C126 V177 K179 F186	R18-H20 PolarHBondContact NH2-CD2 2.88Å; R18-H20 PolarHBondContact O-N 2.89Å; H20-C126 PolarHBondContact N-O 3.47Å; H20-V177 HydrophobicContact CB-CG1 4.44Å; H20-K179 WeakPolarHBondContact NE2-CD 3.28Å; H20-K179 PolarHBondContact NE2-NZ 3.07Å; H20-F186 AromaticContact CE1-CD2 3.9Å; H20-F186 AromaticContact CE1-CE2 3.52Å
21	H	95.4	Very high	85.4	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	160.9	178	63.4	-88.6	0	0	0	110.7	S23 V64 V66 C126	H21-S23 PolarHBondContact CD2-OG 3.36Å; H21-S23 VanDerWaalsContact CD2-OG 3.26Å; H21-S23 PolarHBondContact NE2-OG 2.78Å; H21-V64 CarbonylContact C-O 3.51Å; H21-V64 VanDerWaalsContact CA-O 3.27Å; H21-V64 WeakPolarHBondContact CA-O 3.38Å; H21-V64 HydrophobicContact CB-CB 3.85Å; H21-V64 HydrophobicContact CB-CG1 3.79Å; H21-V64 WeakPolarHBondContact CB-O 3.45Å; H21-V66 HydrophobicContact CB-CG2 4.29Å; H21-C126 WeakPolarHBondContact CE1-CB 3.27Å; H21-C126 PolarHBondContact CE1-SG 3.04Å; H21-C126 WeakPolarHBondContact O-CB 3.37Å; H21-C126 PolarHBondContact O-N 3.41Å
22	V	96.4	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.2	170.5	176.5	0	0	0	0	108.2	L19 V64 F65 V66 V122 N124 F211 I214	L19-V22 HydrophobicContact CD2-CG2 4.21Å; V22-V64 PolarHBondContact N-O 2.85Å; V22-F65 HydrophobicContact CB-CD1 3.82Å; V22-F65 HydrophobicContact CB-CE1 3.84Å; V22-F65 HydrophobicContact CG1-CD1 4.1Å; V22-F65 HydrophobicContact CG1-CE1 3.92Å; V22-F65 CarbonylContact O-C 3.36Å; V22-F65 VanDerWaalsContact O-CA 3.27Å; V22-F65 WeakPolarHBondContact O-CA 3.29Å; V22-V66 PolarHBondContact O-N 2.77Å; V22-V122 HydrophobicContact CG1-CB 4.45Å; V22-V122 HydrophobicContact CG1-CG1 3.4Å; V22-V122 VanDerWaalsContact CG1-CG1 3.4Å; V22-V122 HydrophobicContact CG1-CG2 4.2Å; V22-N124 WeakPolarHBondContact CA-O 3.25Å; V22-F211 HydrophobicContact CB-CE2 4.36Å; V22-F211 HydrophobicContact CB-CZ 4.33Å; V22-F211 HydrophobicContact CG2-CD2 4.24Å; V22-F211 HydrophobicContact CG2-CE2 3.76Å; V22-F211 HydrophobicContact CG2-CZ 4.08Å; V22-I214 HydrophobicContact CG2-CD1 3.91Å
23	S	94.6	Very high	88.8	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.9	178.3	-43.2	0	0	0	0	111.6	H21 V66 V122 S123 N124	H21-S23 PolarHBondContact CD2-OG 3.36Å; H21-S23 VanDerWaalsContact CD2-OG 3.26Å; H21-S23 PolarHBondContact NE2-OG 2.78Å; S23-V66 CarbonylContact C-O 3.53Å; S23-V66 WeakPolarHBondContact CA-O 3.13Å; S23-V122 WeakPolarHBondContact O-CA 3.48Å; S23-S123 PolarHBondContact O-N 2.87Å; S23-N124 PolarHBondContact N-O 3.03Å; S23-N124 PolarHBondContact O-N 2.91Å
24	L	93.4	Very high	89.5	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.9	173.5	-54.2	97.5	0	0	0	108.8	V26 L32 F65 V66 V67 N68 S121 V122 F403 F408	L24-V26 HydrophobicContact CB-CG1 4.18Å; L24-L32 HydrophobicContact CB-CD2 4.32Å; L24-L32 HydrophobicContact CD2-CD2 4.1Å; L24-F65 HydrophobicContact CD1-CB 4.08Å; L24-F65 HydrophobicContact CD1-CD1 3.6Å; L24-F65 HydrophobicContact CD1-CE1 4.33Å; L24-F65 HydrophobicContact CD1-CG 4.09Å; L24-V66 PolarHBondContact N-O 3Å; L24-V67 HydrophobicContact CD1-CG2 4.42Å; L24-N68 WeakPolarHBondContact O-CB 3.19Å; L24-N68 PolarHBondContact O-N 3Å; L24-S121 WeakPolarHBondContact CA-O 3.49Å; L24-V122 HydrophobicContact CD2-CG2 4.02Å; L24-V122 HydrophobicContact CG-CG2 4.13Å; L24-F403 HydrophobicContact CD2-CE2 4.45Å; L24-F403 HydrophobicContact CD2-CZ 3.8Å; L24-F408 HydrophobicContact CD2-CD1 4.06Å; L24-F408 HydrophobicContact CD2-CE1 3.75Å; L24-F408 HydrophobicContact CD2-CZ 4.49Å
25	H	90.1	Very high	90.1	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.185	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.7	169	-171.9	-138.7	0	0	0	108.2	N68 S121	H25-N68 PolarHBondContact CD2-O 2.67Å; H25-S121 PolarHBondContact N-O 3.29Å; H25-S121 PolarHBondContact O-N 2.86Å; H25-S121 VanDerWaalsContact O-N 3.1Å
26	V	89.6	Confident	90.7	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150	-171.7	-59.1	0	0	0	0	111.6	L24 L32 V67 N68 D120 F403	L24-V26 HydrophobicContact CB-CG1 4.18Å; V26-L32 HydrophobicContact CG1-CD2 3.75Å; V26-L32 HydrophobicContact CG2-CD2 4.47Å; V26-V67 HydrophobicContact CG2-CG1 3.53Å; V26-N68 PolarHBondContact N-O 3.15Å; V26-D120 WeakPolarHBondContact CA-OD1 3.38Å; V26-D120 HydrophobicContact CB-CB 4.29Å; V26-D120 HydrophobicContact CG1-CB 4.01Å; V26-F403 HydrophobicContact CG1-CE1 3.78Å; V26-F403 HydrophobicContact CG1-CZ 3.89Å
27	S	87.3	Confident	91	Very high	96 Å²	96	42.4 Å²	42.4	67%	0.671	21%	0.213	S	C	*	.	S	Bend	trans	-74.7	-32.4	176.2	58	0	0	0	0	112.7	D120	S27-D120 VanDerWaalsContact CB-OD1 3.32Å; S27-D120 WeakPolarHBondContact CB-OD1 3.45Å; S27-D120 PolarHBondContact N-OD1 2.78Å; S27-D120 PolarHBondContact N-OD2 3Å; S27-D120 PolarHBondContact OG-OD1 3.21Å; S27-D120 PolarHBondContact OG-OD2 3.34Å
28	N	85.3	Confident	91.4	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	21%	0.208	S	C	.	.			trans	-125.8	86.7	177	-172.2	-24.8	0	0	0	110.8	L30 K31	N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 3.32Å; N28-L30 PolarHBondContact OD1-N 2.92Å; N28-K31 HydrophobicContact CB-CB 4.41Å; N28-K31 WeakPolarHBondContact OD1-CB 2.98Å; N28-K31 PolarHBondContact OD1-N 2.91Å
29	G	86	Confident	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-31.2	-177.4	0	0	0	0	0	113.2	A33 E69	G29-A33 WeakPolarHBondContact O-CB 3.37Å; G29-A33 PolarHBondContact O-N 3Å; G29-E69 PolarHBondContact N-OE1 3.32Å
30	L	87.1	Confident	91.9	Very high	105 Å²	105	38 Å²	38	55%	0.55	20%	0.202	S	C	.	.	H	α-helix	trans	-67.9	-42.7	-179.9	-69.8	173.8	0	0	0	112.8	N28 A33 H34	N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 3.32Å; N28-L30 PolarHBondContact OD1-N 2.92Å; L30-A33 PolarHBondContact O-N 2.88Å; L30-H34 WeakPolarHBondContact O-CB 2.9Å; L30-H34 PolarHBondContact O-N 3.2Å
31	K	90.8	Very high	91.9	Very high	127 Å²	127	41 Å²	41	55%	0.552	22%	0.215	S	C	*	.	H	α-helix	trans	-62.3	-49.6	177.6	-176.9	-174.6	175.5	-169.3	0	110.9	N28 A33 H34 D35	N28-K31 HydrophobicContact CB-CB 4.41Å; N28-K31 WeakPolarHBondContact OD1-CB 2.98Å; N28-K31 PolarHBondContact OD1-N 2.91Å; K31-A33 PolarHBondContact O-N 3.45Å; K31-H34 PolarHBondContact O-N 2.8Å; K31-D35 PolarHBondContact O-N 3.16Å
32	L	93.3	Very high	91.8	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-41.5	178.6	179.6	61.7	0	0	0	111.5	L24 V26 H34 D35 L36 V67 L402 F403	L24-L32 HydrophobicContact CB-CD2 4.32Å; L24-L32 HydrophobicContact CD2-CD2 4.1Å; V26-L32 HydrophobicContact CG1-CD2 3.75Å; V26-L32 HydrophobicContact CG2-CD2 4.47Å; L32-H34 VanDerWaalsContact C-N 3.33Å; L32-H34 PolarHBondContact O-N 3.21Å; L32-D35 PolarHBondContact O-N 2.93Å; L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CG-CD1 4.03Å; L32-L36 HydrophobicContact CG-CG 4.26Å; L32-L36 WeakPolarHBondContact O-CB 3.5Å; L32-L36 WeakPolarHBondContact O-CG 3.19Å; L32-L36 PolarHBondContact O-N 2.86Å; L32-V67 HydrophobicContact CD2-CG1 4.03Å; L32-V67 HydrophobicContact CD2-CG2 3.68Å; L32-V67 HydrophobicContact CG-CG2 4.09Å; L32-L402 HydrophobicContact CD1-CD2 4.25Å; L32-F403 HydrophobicContact CD1-CE1 4.42Å; L32-F403 HydrophobicContact CD2-CE1 4.11Å; L32-F403 HydrophobicContact CD2-CZ 4.37Å
33	A	91.6	Very high	91.6	Very high	11 Å²	11	43 Å²	43	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-46.1	174.9	0	0	0	0	0	112.4	G29 L30 K31 V37 F58	G29-A33 WeakPolarHBondContact O-CB 3.37Å; G29-A33 PolarHBondContact O-N 3Å; L30-A33 PolarHBondContact O-N 2.88Å; K31-A33 PolarHBondContact O-N 3.45Å; A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.45Å; A33-F58 VanDerWaalsContact CA-CZ 3.49Å; A33-F58 HydrophobicContact CB-CE1 4.16Å; A33-F58 HydrophobicContact CB-CE2 4.24Å; A33-F58 HydrophobicContact CB-CZ 3.41Å; A33-F58 VanDerWaalsContact CB-CZ 3.41Å
34	H	92	Very high	91.5	Very high	118 Å²	118	45.9 Å²	45.9	55%	0.546	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-46.5	176.4	174.7	-85.6	0	0	0	111.2	L30 K31 L32 V37 S38	L30-H34 WeakPolarHBondContact O-CB 2.9Å; L30-H34 PolarHBondContact O-N 3.2Å; K31-H34 PolarHBondContact O-N 2.8Å; L32-H34 VanDerWaalsContact C-N 3.33Å; L32-H34 PolarHBondContact O-N 3.21Å; H34-V37 PolarHBondContact O-N 2.71Å; H34-S38 PolarHBondContact CE1-OG 2.87Å; H34-S38 PolarHBondContact ND1-OG 3.21Å; H34-S38 VanDerWaalsContact O-CB 3.3Å; H34-S38 WeakPolarHBondContact O-CB 3.33Å; H34-S38 PolarHBondContact O-N 2.63Å; H34-S38 PolarHBondContact O-OG 3.22Å
35	D	94.4	Very high	91.5	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.128	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-40.6	-178.2	-78.9	5.1	0	0	0	112.1	K31 L32 V37 K39 Y40	K31-D35 PolarHBondContact O-N 3.16Å; L32-D35 PolarHBondContact O-N 2.93Å; D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 3.01Å; D35-K39 HydrophobicContact CB-CD 4.16Å; D35-K39 HydrophobicContact CB-CG 4.4Å; D35-K39 VanDerWaalsContact CG-NZ 3.27Å; D35-K39 WeakPolarHBondContact O-CA 3.21Å; D35-K39 VanDerWaalsContact O-CB 3.25Å; D35-K39 WeakPolarHBondContact O-CB 3.38Å; D35-K39 PolarHBondContact O-N 2.85Å; D35-K39 WeakPolarHBondContact OD1-CE 3.27Å; D35-K39 IonicContact OD1-NZ 3.52Å; D35-K39 PolarHBondContact OD1-NZ 2.84Å; D35-K39 IonicContact OD2-NZ 2.7Å; D35-K39 PolarHBondContact OD2-NZ 2.7Å; D35-Y40 WeakPolarHBondContact O-CD2 3.44Å; D35-Y40 PolarHBondContact O-N 3.25Å; D35-Y40 VanDerWaalsContact O-N 3.11Å
36	L	95	Very high	91.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-40.9	174.8	-75.3	174.6	0	0	0	112	L32 Y40 K41 F42 F58 F65 V67	L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CG-CD1 4.03Å; L32-L36 HydrophobicContact CG-CG 4.26Å; L32-L36 WeakPolarHBondContact O-CB 3.5Å; L32-L36 WeakPolarHBondContact O-CG 3.19Å; L32-L36 PolarHBondContact O-N 2.86Å; L36-Y40 HydrophobicContact CD2-CD2 4.35Å; L36-Y40 CarbonylContact O-C 3.59Å; L36-K41 PolarHBondContact O-N 2.88Å; L36-K41 VanDerWaalsContact O-N 3.15Å; L36-F42 HydrophobicContact CB-CB 4.41Å; L36-F42 HydrophobicContact CD2-CD2 4.25Å; L36-F42 WeakPolarHBondContact O-CB 3.27Å; L36-F42 PolarHBondContact O-N 3.27Å; L36-F58 HydrophobicContact CB-CD1 4.24Å; L36-F58 HydrophobicContact CB-CG 4.37Å; L36-F58 HydrophobicContact CD1-CB 4.47Å; L36-F58 HydrophobicContact CD1-CD2 3.68Å; L36-F58 HydrophobicContact CD1-CE2 4.03Å; L36-F58 HydrophobicContact CD1-CG 3.99Å; L36-F65 HydrophobicContact CD2-CD2 4.33Å; L36-V67 HydrophobicContact CD1-CG2 3.69Å
37	V	93.1	Very high	91.7	Very high	63 Å²	63	46.1 Å²	46.1	38%	0.382	25%	0.245	S	C	.	.	H	α-helix	trans	-78.3	-54.9	179.3	176	0	0	0	0	111.9	A33 H34 D35 K41 F42 L44 F58	A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.45Å; H34-V37 PolarHBondContact O-N 2.71Å; D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 3.01Å; V37-K41 WeakPolarHBondContact O-CA 3.41Å; V37-K41 PolarHBondContact O-N 3.5Å; V37-F42 WeakPolarHBondContact CA-O 3.48Å; V37-L44 HydrophobicContact CG2-CB 4.31Å; V37-F58 HydrophobicContact CG2-CD1 3.85Å; V37-F58 HydrophobicContact CG2-CE1 3.64Å
38	S	92.7	Very high	91.8	Very high	37 Å²	37	42.5 Å²	42.5	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-73.3	-42	-170.8	61.6	0	0	0	0	112.7	H34 K41 A335	H34-S38 PolarHBondContact CE1-OG 2.87Å; H34-S38 PolarHBondContact ND1-OG 3.21Å; H34-S38 VanDerWaalsContact O-CB 3.3Å; H34-S38 WeakPolarHBondContact O-CB 3.33Å; H34-S38 PolarHBondContact O-N 2.63Å; H34-S38 PolarHBondContact O-OG 3.22Å; S38-K41 WeakPolarHBondContact O-CE 3.33Å; S38-K41 PolarHBondContact O-NZ 3.11Å; S38-A335 WeakPolarHBondContact O-CB 3.11Å
39	K	94.6	Very high	91.7	Very high	54 Å²	54	45.6 Å²	45.6	24%	0.235	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-52.2	-173.5	-48.3	-170.9	178.1	158.8	0	112.1	D35 K41 A335 V337	D35-K39 HydrophobicContact CB-CD 4.16Å; D35-K39 HydrophobicContact CB-CG 4.4Å; D35-K39 VanDerWaalsContact CG-NZ 3.27Å; D35-K39 WeakPolarHBondContact O-CA 3.21Å; D35-K39 VanDerWaalsContact O-CB 3.25Å; D35-K39 WeakPolarHBondContact O-CB 3.38Å; D35-K39 PolarHBondContact O-N 2.85Å; D35-K39 WeakPolarHBondContact OD1-CE 3.27Å; D35-K39 IonicContact OD1-NZ 3.52Å; D35-K39 PolarHBondContact OD1-NZ 2.84Å; D35-K39 IonicContact OD2-NZ 2.7Å; D35-K39 PolarHBondContact OD2-NZ 2.7Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-A335 HydrophobicContact CB-CB 4.5Å; K39-A335 WeakPolarHBondContact CG-O 3.23Å; K39-V337 HydrophobicContact CB-CG2 3.69Å
40	Y	94.5	Very high	91.2	Very high	14 Å²	14	46.5 Å²	46.5	6%	0.055	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1	-176.1	-60.3	-78.2	0	0	0	114	D35 L36 F42 M332 V337 T399 L402 L410	D35-Y40 WeakPolarHBondContact O-CD2 3.44Å; D35-Y40 PolarHBondContact O-N 3.25Å; D35-Y40 VanDerWaalsContact O-N 3.11Å; L36-Y40 HydrophobicContact CD2-CD2 4.35Å; L36-Y40 CarbonylContact O-C 3.59Å; Y40-F42 WeakPolarHBondContact O-CD2 3.4Å; Y40-F42 PolarHBondContact O-N 3.12Å; Y40-F42 VanDerWaalsContact O-N 3.13Å; Y40-M332 HydrophobicContact CD1-CE 4.34Å; Y40-M332 HydrophobicContact CD1-SD 3.99Å; Y40-V337 HydrophobicContact CD1-CG2 3.91Å; Y40-V337 HydrophobicContact CE1-CB 4.4Å; Y40-V337 HydrophobicContact CE1-CG1 3.81Å; Y40-V337 HydrophobicContact CE1-CG2 3.59Å; Y40-V337 HydrophobicContact CE2-CG2 4.38Å; Y40-V337 HydrophobicContact CG-CG2 4.42Å; Y40-T399 HydrophobicContact CE1-CG2 4.06Å; Y40-L402 HydrophobicContact CE2-CD2 4.23Å; Y40-L402 HydrophobicContact CE2-CG 4.25Å; Y40-L402 WeakPolarHBondContact OH-CD1 3.31Å; Y40-L410 HydrophobicContact CD1-CD1 3.83Å; Y40-L410 HydrophobicContact CE1-CD1 3.8Å; Y40-L410 HydrophobicContact CG-CD1 4.34Å
41	K	93	Very high	90.4	Very high	67 Å²	67	48.2 Å²	48.2	29%	0.291	25%	0.248	S	C	.	.			trans	55.4	31.7	174.7	-49.4	-56.4	-176.5	-170.1	0	113.3	L36 V37 S38 K39 K60 C206	L36-K41 PolarHBondContact O-N 2.88Å; L36-K41 VanDerWaalsContact O-N 3.15Å; V37-K41 WeakPolarHBondContact O-CA 3.41Å; V37-K41 PolarHBondContact O-N 3.5Å; S38-K41 WeakPolarHBondContact O-CE 3.33Å; S38-K41 PolarHBondContact O-NZ 3.11Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K41-K60 WeakPolarHBondContact O-CD 3.11Å; K41-K60 PolarHBondContact O-NZ 2.83Å; K41-C206 HydrophobicContact CB-CB 4.25Å; K41-C206 HydrophobicContact CG-CB 4.23Å
42	F	93.1	Very high	89.4	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.239	C	C	.	.			trans	-77.2	152.8	168.4	-80.8	-103.3	0	0	0	110.3	L36 V37 Y40 F58 K60 F65 L320	L36-F42 HydrophobicContact CB-CB 4.41Å; L36-F42 HydrophobicContact CD2-CD2 4.25Å; L36-F42 WeakPolarHBondContact O-CB 3.27Å; L36-F42 PolarHBondContact O-N 3.27Å; V37-F42 WeakPolarHBondContact CA-O 3.48Å; Y40-F42 WeakPolarHBondContact O-CD2 3.4Å; Y40-F42 PolarHBondContact O-N 3.12Å; Y40-F42 VanDerWaalsContact O-N 3.13Å; F42-F58 HydrophobicContact CB-CB 3.98Å; F42-F58 HydrophobicContact CD1-CB 4.14Å; F42-F58 HydrophobicContact CG-CB 4.38Å; F42-K60 HydrophobicContact CD1-CB 3.65Å; F42-K60 HydrophobicContact CD2-CD 4.32Å; F42-K60 HydrophobicContact CE1-CB 3.67Å; F42-K60 HydrophobicContact CE2-CD 4.39Å; F42-K60 HydrophobicContact CG-CB 4.1Å; F42-K60 HydrophobicContact CZ-CB 4.16Å; F42-F65 HydrophobicContact CD1-CD2 4.3Å; F42-F65 AromaticContact CE1-CD2 3.63Å; F42-F65 HydrophobicContact CE1-CD2 3.63Å; F42-F65 HydrophobicContact CE1-CE2 4.03Å; F42-F65 HydrophobicContact CE2-CD2 4.29Å; F42-F65 HydrophobicContact CE2-CE2 4.22Å; F42-F65 AromaticContact CZ-CD2 3.63Å; F42-F65 HydrophobicContact CZ-CD2 3.63Å; F42-F65 AromaticContact CZ-CE2 3.58Å; F42-F65 HydrophobicContact CZ-CE2 3.58Å; F42-L320 HydrophobicContact CE2-CD1 4.07Å; F42-L320 HydrophobicContact CZ-CD1 4.09Å; F42-L320 HydrophobicContact CZ-CD2 4.11Å
43	N	91.9	Very high	88.6	Confident	45 Å²	45	46.1 Å²	46.1	24%	0.241	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.8	178	-73.4	-45.8	0	0	0	111	F45 F58 R59 W197 E200	N43-F45 PolarHBondContact O-N 3.12Å; N43-F58 CarbonylContact O-C 3.45Å; N43-F58 VanDerWaalsContact O-CA 3.25Å; N43-F58 WeakPolarHBondContact O-CA 3.11Å; N43-R59 WeakPolarHBondContact CB-O 3.4Å; N43-R59 PolarHBondContact N-O 2.95Å; N43-R59 PolarHBondContact O-N 2.86Å; N43-W197 HydrophobicContact CB-CE3 4.3Å; N43-W197 HydrophobicContact CB-CH2 3.46Å; N43-W197 VanDerWaalsContact CB-CH2 3.46Å; N43-W197 HydrophobicContact CB-CZ3 3.24Å; N43-E200 PolarHBondContact ND2-OE1 2.87Å
44	L	92.9	Very high	88.3	Confident	63 Å²	63	49.3 Å²	49.3	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	115.2	167	-175.8	162.6	0	0	0	108.2	V37 T47 V56 F58 A193 W197	V37-L44 HydrophobicContact CG2-CB 4.31Å; L44-T47 HydrophobicContact CD2-CG2 4.01Å; L44-V56 HydrophobicContact CD1-CG1 3.56Å; L44-V56 HydrophobicContact CG-CG1 3.69Å; L44-F58 HydrophobicContact CB-CD1 4.02Å; L44-F58 HydrophobicContact CB-CE1 3.86Å; L44-F58 HydrophobicContact CD1-CE1 4.13Å; L44-F58 HydrophobicContact CD1-CZ 4.45Å; L44-F58 HydrophobicContact CG-CE1 4.15Å; L44-A193 HydrophobicContact CD2-CB 4.35Å; L44-W197 WeakPolarHBondContact O-CH2 3.31Å; L44-W197 WeakPolarHBondContact O-CZ2 3.25Å
45	F	92.9	Very high	88.2	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-19.1	-174.8	82.2	-77.4	0	0	0	114.1	N43 A57 R59 V64 F186 I192 A193 W197	N43-F45 PolarHBondContact O-N 3.12Å; F45-A57 HydrophobicContact CD1-CB 4.09Å; F45-A57 VanDerWaalsContact CD1-O 3.27Å; F45-A57 WeakPolarHBondContact CD1-O 3.36Å; F45-A57 HydrophobicContact CE1-CB 3.45Å; F45-A57 VanDerWaalsContact CE1-CB 3.45Å; F45-A57 HydrophobicContact CZ-CB 3.9Å; F45-A57 PolarHBondContact N-O 3.32Å; F45-R59 HydrophobicContact CD1-CB 3.46Å; F45-R59 VanDerWaalsContact CD1-CB 3.46Å; F45-R59 HydrophobicContact CE1-CB 3.71Å; F45-R59 HydrophobicContact CG-CB 4.09Å; F45-V64 HydrophobicContact CE1-CG1 3.94Å; F45-V64 HydrophobicContact CZ-CG1 4.14Å; F45-V64 HydrophobicContact CZ-CG2 4.49Å; F45-F186 HydrophobicContact CE2-CB 3.85Å; F45-F186 AromaticContact CE2-CD2 3.98Å; F45-F186 HydrophobicContact CE2-CD2 3.98Å; F45-F186 AromaticContact CE2-CG 3.95Å; F45-F186 HydrophobicContact CE2-CG 3.95Å; F45-F186 HydrophobicContact CZ-CB 4.27Å; F45-F186 HydrophobicContact CZ-CD1 4.43Å; F45-F186 AromaticContact CZ-CD2 3.57Å; F45-F186 HydrophobicContact CZ-CD2 3.57Å; F45-F186 AromaticContact CZ-CE2 3.97Å; F45-F186 HydrophobicContact CZ-CE2 3.97Å; F45-F186 AromaticContact CZ-CG 3.84Å; F45-F186 HydrophobicContact CZ-CG 3.84Å; F45-I192 WeakPolarHBondContact O-CA 3.23Å; F45-A193 PolarHBondContact O-N 2.92Å; F45-W197 HydrophobicContact CB-CD2 3.87Å; F45-W197 HydrophobicContact CB-CE3 4.4Å; F45-W197 HydrophobicContact CB-CG 4.47Å; F45-W197 HydrophobicContact CB-CH2 4.1Å; F45-W197 HydrophobicContact CB-CZ2 3.49Å; F45-W197 VanDerWaalsContact CB-CZ2 3.49Å
46	A	92.7	Very high	88.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.7	176.3	0	0	0	0	0	111.9	A57 F186 F190 T191 I192	A46-A57 HydrophobicContact CB-CB 4.04Å; A46-A57 PolarHBondContact N-O 2.78Å; A46-A57 PolarHBondContact O-N 2.91Å; A46-F186 HydrophobicContact CB-CD1 4.31Å; A46-F190 HydrophobicContact CB-CB 4.07Å; A46-F190 HydrophobicContact CB-CD1 3.83Å; A46-F190 HydrophobicContact CB-CG 4.37Å; A46-T191 CarbonylContact C-O 3.56Å; A46-T191 VanDerWaalsContact CA-O 3.3Å; A46-T191 WeakPolarHBondContact CA-O 3.42Å; A46-I192 HydrophobicContact CB-CD1 3.74Å
47	T	92.1	Very high	88.2	Confident	51 Å²	51	42.7 Å²	42.7	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.4	175.1	57.1	0	0	0	0	110.1	L44 Q55 V56 F190 T191	L44-T47 HydrophobicContact CD2-CG2 4.01Å; T47-Q55 CarbonylContact C-O 3.57Å; T47-Q55 WeakPolarHBondContact CA-O 3.4Å; T47-V56 HydrophobicContact CG2-CG1 4.09Å; T47-V56 HydrophobicContact CG2-CG2 4.36Å; T47-F190 CarbonylContact O-C 3.57Å; T47-F190 WeakPolarHBondContact O-CA 3.35Å; T47-T191 PolarHBondContact N-O 3.23Å; T47-T191 PolarHBondContact O-N 3.3Å
48	R	88.1	Confident	88.2	Confident	20 Å²	20	39.7 Å²	39.7	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.5	172.5	174.6	168.1	-172.3	-76.2	-10.2	108.4	T50 Q55 L110 G189 F190	R48-T50 HydrophobicContact CG-CG2 4.49Å; R48-T50 VanDerWaalsContact NH2-CG2 3.32Å; R48-Q55 HydrophobicContact CB-CB 4.25Å; R48-Q55 PolarHBondContact N-O 2.84Å; R48-Q55 PolarHBondContact O-N 2.94Å; R48-L110 VanDerWaalsContact NH1-N 3.19Å; R48-G189 WeakPolarHBondContact CB-O 3.44Å; R48-G189 WeakPolarHBondContact CD-O 3.35Å; R48-G189 WeakPolarHBondContact CG-O 3.32Å; R48-F190 HydrophobicContact CB-CD1 3.68Å; R48-F190 HydrophobicContact CB-CD2 3.98Å; R48-F190 HydrophobicContact CB-CE1 3.73Å; R48-F190 HydrophobicContact CB-CE2 4.03Å; R48-F190 HydrophobicContact CB-CG 3.8Å; R48-F190 HydrophobicContact CB-CZ 3.91Å
49	L	84.1	Confident	88.3	Confident	140 Å²	140	41.5 Å²	41.5	73%	0.733	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	175.4	-169.7	65.1	0	0	0	108.9	R54	L49-R54 HydrophobicContact CD1-CB 4.01Å; L49-R54 HydrophobicContact CD1-CG 4.25Å
50	T	75.5	Confident	88.1	Confident	21 Å²	21	39.3 Å²	39.3	13%	0.129	19%	0.19	C	C	.	.			trans	-128.1	169.5	170.3	60.9	0	0	0	0	108.9	R48 K52 S53	R48-T50 HydrophobicContact CG-CG2 4.49Å; R48-T50 VanDerWaalsContact NH2-CG2 3.32Å; T50-K52 PolarHBondContact O-N 3.2Å; T50-S53 PolarHBondContact N-O 3.42Å; T50-S53 PolarHBondContact OG1-N 2.6Å; T50-S53 PolarHBondContact OG1-O 3.41Å; T50-S53 PolarHBondContact OG1-OG 3.33Å
51	D	69.6	Low	87.8	Confident	141 Å²	141	40.1 Å²	40.1	75%	0.754	20%	0.203	S	C	*	.	S	Bend	trans	-56.7	-20.6	176.7	-57.8	-20.3	0	0	0	113.7
52	K	70.3	Confident	87.6	Confident	86 Å²	86	40.3 Å²	40.3	37%	0.374	21%	0.21	S	C	.	.	S	Bend	trans	-121.2	-18.2	-171.4	-65	-178	-177.9	174	0	115.1	T50 P71 N106	T50-K52 PolarHBondContact O-N 3.2Å; K52-P71 WeakPolarHBondContact O-CB 3.38Å; K52-P71 VanDerWaalsContact O-CD 3.25Å; K52-P71 WeakPolarHBondContact O-CD 3.26Å; K52-N106 PolarHBondContact NZ-OD1 2.89Å
53	S	75.5	Confident	87.6	Confident	7 Å²	7	40.2 Å²	40.2	5%	0.049	21%	0.21	C	C	.	.			trans	-153.3	147.3	-175	60.5	0	0	0	0	111.9	T50 E69 C109	T50-S53 PolarHBondContact N-O 3.42Å; T50-S53 PolarHBondContact OG1-N 2.6Å; T50-S53 PolarHBondContact OG1-O 3.41Å; T50-S53 PolarHBondContact OG1-OG 3.33Å; S53-E69 WeakPolarHBondContact CA-O 3.39Å; S53-C109 VanDerWaalsContact OG-CA 3.31Å; S53-C109 WeakPolarHBondContact OG-CA 3.48Å; S53-C109 WeakPolarHBondContact OG-CB 3.47Å
54	R	86.4	Confident	87.8	Confident	78 Å²	78	38.5 Å²	38.5	29%	0.294	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.2	169.6	-179.8	175	178.7	-99	-1	108.6	L49 V56 E69	L49-R54 HydrophobicContact CD1-CB 4.01Å; L49-R54 HydrophobicContact CD1-CG 4.25Å; R54-V56 HydrophobicContact CG-CG2 4.17Å; R54-V56 VanDerWaalsContact CZ-CG2 3.46Å; R54-E69 HydrophobicContact CB-CB 4.38Å; R54-E69 PolarHBondContact N-O 2.78Å; R54-E69 IonicContact NH1-OE2 3.92Å; R54-E69 PolarHBondContact O-N 2.91Å
55	Q	90.2	Very high	88	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.3	176	-51.1	-178.3	-97.2	0	0	108.7	T47 R48 V66 V67 N68 C109 L110 F190	T47-Q55 CarbonylContact C-O 3.57Å; T47-Q55 WeakPolarHBondContact CA-O 3.4Å; R48-Q55 HydrophobicContact CB-CB 4.25Å; R48-Q55 PolarHBondContact N-O 2.84Å; R48-Q55 PolarHBondContact O-N 2.94Å; Q55-V66 HydrophobicContact CB-CG1 4.35Å; Q55-V67 WeakPolarHBondContact CA-O 3.25Å; Q55-N68 VanDerWaalsContact CG-OD1 3.31Å; Q55-N68 WeakPolarHBondContact CG-OD1 3.21Å; Q55-N68 PolarHBondContact NE2-OD1 2.86Å; Q55-C109 PolarHBondContact NE2-SG 3.22Å; Q55-L110 PolarHBondContact NE2-O 2.82Å; Q55-L110 VanDerWaalsContact NE2-O 3.09Å; Q55-F190 HydrophobicContact CB-CE1 4.05Å; Q55-F190 HydrophobicContact CB-CZ 3.9Å
56	V	93.1	Very high	88.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.5	178.8	-172.6	0	0	0	0	108.9	L44 T47 R54 F58 V66 V67	L44-V56 HydrophobicContact CD1-CG1 3.56Å; L44-V56 HydrophobicContact CG-CG1 3.69Å; T47-V56 HydrophobicContact CG2-CG1 4.09Å; T47-V56 HydrophobicContact CG2-CG2 4.36Å; R54-V56 HydrophobicContact CG-CG2 4.17Å; R54-V56 VanDerWaalsContact CZ-CG2 3.46Å; V56-F58 HydrophobicContact CB-CE2 3.7Å; V56-F58 HydrophobicContact CB-CZ 3.89Å; V56-F58 HydrophobicContact CG1-CD2 4.31Å; V56-F58 HydrophobicContact CG1-CE1 3.97Å; V56-F58 HydrophobicContact CG1-CE2 3.47Å; V56-F58 VanDerWaalsContact CG1-CE2 3.47Å; V56-F58 HydrophobicContact CG1-CZ 3.25Å; V56-F58 WeakPolarHBondContact O-CE2 3.48Å; V56-V66 CarbonylContact O-C 3.59Å; V56-V66 WeakPolarHBondContact O-CA 3.42Å; V56-V67 PolarHBondContact N-O 3.15Å; V56-V67 PolarHBondContact O-N 3.48Å
57	A	94.8	Very high	88.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.9	-179.8	0	0	0	0	0	110.7	F45 A46 F65 V66 F186 F190	F45-A57 HydrophobicContact CD1-CB 4.09Å; F45-A57 VanDerWaalsContact CD1-O 3.27Å; F45-A57 WeakPolarHBondContact CD1-O 3.36Å; F45-A57 HydrophobicContact CE1-CB 3.45Å; F45-A57 VanDerWaalsContact CE1-CB 3.45Å; F45-A57 HydrophobicContact CZ-CB 3.9Å; F45-A57 PolarHBondContact N-O 3.32Å; A46-A57 HydrophobicContact CB-CB 4.04Å; A46-A57 PolarHBondContact N-O 2.78Å; A46-A57 PolarHBondContact O-N 2.91Å; A57-F65 CarbonylContact C-O 3.6Å; A57-F65 WeakPolarHBondContact CA-O 3.41Å; A57-V66 HydrophobicContact CB-CG2 4.27Å; A57-F186 HydrophobicContact CB-CD1 4.31Å; A57-F186 HydrophobicContact CB-CE1 3.86Å; A57-F186 HydrophobicContact CB-CZ 4.14Å; A57-F190 HydrophobicContact CB-CE1 4.25Å
58	F	95	Very high	88	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.7	-178.4	-60.5	-86.1	0	0	0	109.2	A33 L36 V37 F42 N43 L44 V56 V64 F65 V67	A33-F58 VanDerWaalsContact CA-CZ 3.49Å; A33-F58 HydrophobicContact CB-CE1 4.16Å; A33-F58 HydrophobicContact CB-CE2 4.24Å; A33-F58 HydrophobicContact CB-CZ 3.41Å; A33-F58 VanDerWaalsContact CB-CZ 3.41Å; L36-F58 HydrophobicContact CB-CD1 4.24Å; L36-F58 HydrophobicContact CB-CG 4.37Å; L36-F58 HydrophobicContact CD1-CB 4.47Å; L36-F58 HydrophobicContact CD1-CD2 3.68Å; L36-F58 HydrophobicContact CD1-CE2 4.03Å; L36-F58 HydrophobicContact CD1-CG 3.99Å; V37-F58 HydrophobicContact CG2-CD1 3.85Å; V37-F58 HydrophobicContact CG2-CE1 3.64Å; F42-F58 HydrophobicContact CB-CB 3.98Å; F42-F58 HydrophobicContact CD1-CB 4.14Å; F42-F58 HydrophobicContact CG-CB 4.38Å; N43-F58 CarbonylContact O-C 3.45Å; N43-F58 VanDerWaalsContact O-CA 3.25Å; N43-F58 WeakPolarHBondContact O-CA 3.11Å; L44-F58 HydrophobicContact CB-CD1 4.02Å; L44-F58 HydrophobicContact CB-CE1 3.86Å; L44-F58 HydrophobicContact CD1-CE1 4.13Å; L44-F58 HydrophobicContact CD1-CZ 4.45Å; L44-F58 HydrophobicContact CG-CE1 4.15Å; V56-F58 HydrophobicContact CB-CE2 3.7Å; V56-F58 HydrophobicContact CB-CZ 3.89Å; V56-F58 HydrophobicContact CG1-CD2 4.31Å; V56-F58 HydrophobicContact CG1-CE1 3.97Å; V56-F58 HydrophobicContact CG1-CE2 3.47Å; V56-F58 VanDerWaalsContact CG1-CE2 3.47Å; V56-F58 HydrophobicContact CG1-CZ 3.25Å; V56-F58 WeakPolarHBondContact O-CE2 3.48Å; F58-V64 CarbonylContact O-C 3.19Å; F58-V64 VanDerWaalsContact O-CA 3.27Å; F58-V64 WeakPolarHBondContact O-CA 3.47Å; F58-F65 HydrophobicContact CB-CB 4.5Å; F58-F65 PolarHBondContact N-O 3.09Å; F58-F65 PolarHBondContact O-N 3.33Å; F58-V67 HydrophobicContact CD2-CG2 3.9Å; F58-V67 HydrophobicContact CE2-CB 3.98Å; F58-V67 HydrophobicContact CE2-CG2 3.58Å
59	R	93.4	Very high	87.8	Confident	75 Å²	75	34.1 Å²	34.1	28%	0.283	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143	-176.3	-174.3	175	-162.9	172	5.2	111.3	N43 F45 G61 S63 V64	N43-R59 WeakPolarHBondContact CB-O 3.4Å; N43-R59 PolarHBondContact N-O 2.95Å; N43-R59 PolarHBondContact O-N 2.86Å; F45-R59 HydrophobicContact CD1-CB 3.46Å; F45-R59 VanDerWaalsContact CD1-CB 3.46Å; F45-R59 HydrophobicContact CE1-CB 3.71Å; F45-R59 HydrophobicContact CG-CB 4.09Å; R59-G61 VanDerWaalsContact CG-O 3.32Å; R59-G61 WeakPolarHBondContact CG-O 3.36Å; R59-G61 PolarHBondContact NE-O 2.81Å; R59-S63 WeakPolarHBondContact CA-O 3.45Å; R59-V64 HydrophobicContact CB-CG2 4.44Å; R59-V64 HydrophobicContact CG-CG2 4.18Å
60	K	90.2	Very high	87	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	106.1	165	-160.5	170	176	73.4	0	108.1	K41 F42 T62 S63 D203 C206 V208	K41-K60 WeakPolarHBondContact O-CD 3.11Å; K41-K60 PolarHBondContact O-NZ 2.83Å; F42-K60 HydrophobicContact CD1-CB 3.65Å; F42-K60 HydrophobicContact CD2-CD 4.32Å; F42-K60 HydrophobicContact CE1-CB 3.67Å; F42-K60 HydrophobicContact CE2-CD 4.39Å; F42-K60 HydrophobicContact CG-CB 4.1Å; F42-K60 HydrophobicContact CZ-CB 4.16Å; K60-T62 PolarHBondContact O-N 3.29Å; K60-S63 PolarHBondContact N-O 2.71Å; K60-S63 WeakPolarHBondContact O-CB 3.34Å; K60-S63 PolarHBondContact O-N 3.08Å; K60-S63 VanDerWaalsContact O-N 3.09Å; K60-D203 IonicContact NZ-OD2 3.38Å; K60-D203 PolarHBondContact NZ-OD2 3.09Å; K60-C206 WeakPolarHBondContact CE-O 3.45Å; K60-C206 WeakPolarHBondContact CE-SG 3.29Å; K60-C206 PolarHBondContact NZ-O 2.86Å; K60-C206 PolarHBondContact NZ-SG 3.27Å; K60-C206 VanDerWaalsContact NZ-SG 3.44Å; K60-V208 HydrophobicContact CD-CB 3.66Å; K60-V208 HydrophobicContact CD-CG1 4.24Å; K60-V208 HydrophobicContact CD-CG2 4.11Å; K60-V208 HydrophobicContact CG-CB 3.95Å; K60-V208 HydrophobicContact CG-CG1 4.37Å
61	G	88.5	Confident	86	Confident	31 Å²	31	31.1 Å²	31.1	32%	0.32	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-120.1	-164.4	0	0	0	0	0	112	R59	R59-G61 VanDerWaalsContact CG-O 3.32Å; R59-G61 WeakPolarHBondContact CG-O 3.36Å; R59-G61 PolarHBondContact NE-O 2.81Å
62	T	89.8	Confident	84.6	Confident	71 Å²	71	30.2 Å²	30.2	44%	0.436	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.5	175.4	66.2	0	0	0	0	113.5	K60 V64 T209 H210	K60-T62 PolarHBondContact O-N 3.29Å; T62-V64 PolarHBondContact O-N 2.91Å; T62-T209 PolarHBondContact N-O 2.9Å; T62-T209 PolarHBondContact OG1-O 2.95Å; T62-H210 WeakPolarHBondContact OG1-CA 3.3Å; T62-H210 WeakPolarHBondContact OG1-CB 3.21Å
63	S	92.3	Very high	83	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.4	173.2	-61.5	0	0	0	0	109.9	R59 K60 H210 F211	R59-S63 WeakPolarHBondContact CA-O 3.45Å; K60-S63 PolarHBondContact N-O 2.71Å; K60-S63 WeakPolarHBondContact O-CB 3.34Å; K60-S63 PolarHBondContact O-N 3.08Å; K60-S63 VanDerWaalsContact O-N 3.09Å; S63-H210 WeakPolarHBondContact OG-CA 3.3Å; S63-H210 PolarHBondContact OG-O 2.9Å; S63-F211 PolarHBondContact OG-N 3.38Å; S63-F211 VanDerWaalsContact OG-N 3.13Å
64	V	95.8	Very high	81	Confident	9 Å²	9	37.4 Å²	37.4	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.2	177.2	179.4	0	0	0	0	110.1	H21 V22 F45 F58 R59 T62 V66 F186 F211	H21-V64 CarbonylContact C-O 3.51Å; H21-V64 VanDerWaalsContact CA-O 3.27Å; H21-V64 WeakPolarHBondContact CA-O 3.38Å; H21-V64 HydrophobicContact CB-CB 3.85Å; H21-V64 HydrophobicContact CB-CG1 3.79Å; H21-V64 WeakPolarHBondContact CB-O 3.45Å; V22-V64 PolarHBondContact N-O 2.85Å; F45-V64 HydrophobicContact CE1-CG1 3.94Å; F45-V64 HydrophobicContact CZ-CG1 4.14Å; F45-V64 HydrophobicContact CZ-CG2 4.49Å; F58-V64 CarbonylContact O-C 3.19Å; F58-V64 VanDerWaalsContact O-CA 3.27Å; F58-V64 WeakPolarHBondContact O-CA 3.47Å; R59-V64 HydrophobicContact CB-CG2 4.44Å; R59-V64 HydrophobicContact CG-CG2 4.18Å; T62-V64 PolarHBondContact O-N 2.91Å; V64-V66 HydrophobicContact CG1-CG2 4.43Å; V64-F186 HydrophobicContact CG1-CE2 3.84Å; V64-F186 HydrophobicContact CG1-CZ 4.17Å; V64-F211 WeakPolarHBondContact O-CZ 3.33Å
65	F	97	Very high	78.2	Confident	2 Å²	2	39 Å²	39	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.7	167.2	-74.6	-61.3	0	0	0	110.2	V22 L24 L36 F42 A57 F58 F211 V318 L320 L410	V22-F65 HydrophobicContact CB-CD1 3.82Å; V22-F65 HydrophobicContact CB-CE1 3.84Å; V22-F65 HydrophobicContact CG1-CD1 4.1Å; V22-F65 HydrophobicContact CG1-CE1 3.92Å; V22-F65 CarbonylContact O-C 3.36Å; V22-F65 VanDerWaalsContact O-CA 3.27Å; V22-F65 WeakPolarHBondContact O-CA 3.29Å; L24-F65 HydrophobicContact CD1-CB 4.08Å; L24-F65 HydrophobicContact CD1-CD1 3.6Å; L24-F65 HydrophobicContact CD1-CE1 4.33Å; L24-F65 HydrophobicContact CD1-CG 4.09Å; L36-F65 HydrophobicContact CD2-CD2 4.33Å; F42-F65 HydrophobicContact CD1-CD2 4.3Å; F42-F65 AromaticContact CE1-CD2 3.63Å; F42-F65 HydrophobicContact CE1-CD2 3.63Å; F42-F65 HydrophobicContact CE1-CE2 4.03Å; F42-F65 HydrophobicContact CE2-CD2 4.29Å; F42-F65 HydrophobicContact CE2-CE2 4.22Å; F42-F65 AromaticContact CZ-CD2 3.63Å; F42-F65 HydrophobicContact CZ-CD2 3.63Å; F42-F65 AromaticContact CZ-CE2 3.58Å; F42-F65 HydrophobicContact CZ-CE2 3.58Å; A57-F65 CarbonylContact C-O 3.6Å; A57-F65 WeakPolarHBondContact CA-O 3.41Å; F58-F65 HydrophobicContact CB-CB 4.5Å; F58-F65 PolarHBondContact N-O 3.09Å; F58-F65 PolarHBondContact O-N 3.33Å; F65-F211 HydrophobicContact CD1-CZ 4.13Å; F65-F211 HydrophobicContact CD2-CE1 4.42Å; F65-F211 HydrophobicContact CD2-CZ 4.43Å; F65-F211 AromaticContact CE1-CE1 3.93Å; F65-F211 HydrophobicContact CE1-CE1 3.93Å; F65-F211 AromaticContact CE1-CZ 3.92Å; F65-F211 HydrophobicContact CE1-CZ 3.92Å; F65-F211 AromaticContact CE2-CE1 3.82Å; F65-F211 HydrophobicContact CE2-CE1 3.82Å; F65-F211 HydrophobicContact CE2-CZ 4.23Å; F65-F211 HydrophobicContact CG-CZ 4.39Å; F65-F211 AromaticContact CZ-CE1 3.54Å; F65-F211 HydrophobicContact CZ-CE1 3.54Å; F65-F211 AromaticContact CZ-CZ 3.98Å; F65-F211 HydrophobicContact CZ-CZ 3.98Å; F65-V318 HydrophobicContact CE1-CG2 4.49Å; F65-V318 HydrophobicContact CZ-CB 4.34Å; F65-V318 HydrophobicContact CZ-CG1 4.27Å; F65-L320 HydrophobicContact CE2-CD2 4.4Å; F65-L410 HydrophobicContact CE2-CD2 4.37Å; F65-L410 HydrophobicContact CZ-CD2 3.92Å
66	V	95	Very high	75.3	Confident	2 Å²	2	45 Å²	45	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.2	169.7	-178.6	0	0	0	0	108.3	H21 V22 S23 L24 Q55 V56 A57 V64 N68 F186 F190	H21-V66 HydrophobicContact CB-CG2 4.29Å; V22-V66 PolarHBondContact O-N 2.77Å; S23-V66 CarbonylContact C-O 3.53Å; S23-V66 WeakPolarHBondContact CA-O 3.13Å; L24-V66 PolarHBondContact N-O 3Å; Q55-V66 HydrophobicContact CB-CG1 4.35Å; V56-V66 CarbonylContact O-C 3.59Å; V56-V66 WeakPolarHBondContact O-CA 3.42Å; A57-V66 HydrophobicContact CB-CG2 4.27Å; V64-V66 HydrophobicContact CG1-CG2 4.43Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.42Å; V66-F186 HydrophobicContact CG2-CE1 4.2Å; V66-F186 HydrophobicContact CG2-CZ 3.68Å; V66-F190 HydrophobicContact CG1-CZ 4.41Å
67	V	93.7	Very high	72.3	Confident	3 Å²	3	48 Å²	48	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.4	175.3	-179.8	0	0	0	0	108.2	L24 V26 L32 L36 Q55 V56 F58	L24-V67 HydrophobicContact CD1-CG2 4.42Å; V26-V67 HydrophobicContact CG2-CG1 3.53Å; L32-V67 HydrophobicContact CD2-CG1 4.03Å; L32-V67 HydrophobicContact CD2-CG2 3.68Å; L32-V67 HydrophobicContact CG-CG2 4.09Å; L36-V67 HydrophobicContact CD1-CG2 3.69Å; Q55-V67 WeakPolarHBondContact CA-O 3.25Å; V56-V67 PolarHBondContact N-O 3.15Å; V56-V67 PolarHBondContact O-N 3.48Å; F58-V67 HydrophobicContact CD2-CG2 3.9Å; F58-V67 HydrophobicContact CE2-CB 3.98Å; F58-V67 HydrophobicContact CE2-CG2 3.58Å
68	N	89.3	Confident	69.1	Low	3 Å²	3	56 Å²	56	2%	0.016	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.6	174.2	-62.9	-33.5	0	0	0	108.5	L24 H25 V26 Q55 V66 D112	L24-N68 WeakPolarHBondContact O-CB 3.19Å; L24-N68 PolarHBondContact O-N 3Å; H25-N68 PolarHBondContact CD2-O 2.67Å; V26-N68 PolarHBondContact N-O 3.15Å; Q55-N68 VanDerWaalsContact CG-OD1 3.31Å; Q55-N68 WeakPolarHBondContact CG-OD1 3.21Å; Q55-N68 PolarHBondContact NE2-OD1 2.86Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.42Å; N68-D112 PolarHBondContact ND2-OD2 3.03Å
69	E	84.6	Confident	66.2	Low	34 Å²	34	63.3 Å²	63.3	16%	0.159	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.8	171	-173.1	166.6	-146.8	0	0	108.1	G29 S53 R54	G29-E69 PolarHBondContact N-OE1 3.32Å; S53-E69 WeakPolarHBondContact CA-O 3.39Å; R54-E69 HydrophobicContact CB-CB 4.38Å; R54-E69 PolarHBondContact N-O 2.78Å; R54-E69 IonicContact NH1-OE2 3.92Å; R54-E69 PolarHBondContact O-N 2.91Å
70	G	67.3	Low	63.1	Low	18 Å²	18	68.3 Å²	68.3	19%	0.186	42%	0.416	C	S	.	.			trans	-66.7	166.4	176	0	0	0	0	0	111.8	V72	G70-V72 PolarHBondContact O-N 2.87Å
71	P	53.7	Low	59.9	Low	80 Å²	80	78.9 Å²	78.9	52%	0.519	46%	0.456	S	S	.	.			trans	-61.5	130.6	173.2	25.3	-29.4	0	0	0	108.8	K52 Q73	K52-P71 WeakPolarHBondContact O-CB 3.38Å; K52-P71 VanDerWaalsContact O-CD 3.25Å; K52-P71 WeakPolarHBondContact O-CD 3.26Å; P71-Q73 PolarHBondContact O-N 2.86Å
72	V	40.1	Very low	56.9	Low	122 Å²	122	82.9 Å²	82.9	74%	0.739	48%	0.476	S	S	*	.			trans	-51.9	113.5	174	-179.8	0	0	0	0	108.2	G70 G74	G70-V72 PolarHBondContact O-N 2.87Å; V72-G74 PolarHBondContact O-N 2.87Å
73	Q	37.3	Very low	53.9	Low	185 Å²	185	88.5 Å²	88.5	86%	0.864	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	90.9	167.8	-119.3	174.6	1.8	0	0	107.1	P71	P71-Q73 PolarHBondContact O-N 2.86Å
74	G	33.2	Very low	50.9	Low	58 Å²	58	96.3 Å²	96.3	60%	0.598	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173.8	-1.2	-173.2	0	0	0	0	0	116.4	V72 V76	V72-G74 PolarHBondContact O-N 2.87Å; G74-V76 VanDerWaalsContact C-N 3.28Å; G74-V76 PolarHBondContact O-N 3Å
75	S	28.5	Very low	47.6	Very low	112 Å²	112	99.4 Å²	99.4	78%	0.783	57%	0.573	S	S	*	*			trans	-90.1	69.5	161.5	53	0	0	0	0	109.9	G77	S75-G77 PolarHBondContact O-N 3.42Å
76	V	28.2	Very low	44.2	Very low	130 Å²	130	103.1 Å²	103.1	79%	0.788	61%	0.612	S	S	*	*			trans	-52.9	123.9	143.5	178.3	0	0	0	0	104.6	G74 L78	G74-V76 VanDerWaalsContact C-N 3.28Å; G74-V76 PolarHBondContact O-N 3Å; V76-L78 PolarHBondContact O-N 3.07Å
77	G	31.6	Very low	41	Very low	64 Å²	64	111.6 Å²	111.6	66%	0.66	66%	0.657	S	S	*	*			trans	-49.4	106.9	-174.9	0	0	0	0	0	111	S75 N79	S75-G77 PolarHBondContact O-N 3.42Å; G77-N79 PolarHBondContact O-N 3.09Å
78	L	27.7	Very low	37.8	Very low	170 Å²	170	115.1 Å²	115.1	89%	0.89	69%	0.694	S	S	*	*			trans	-78.4	61.6	160.1	-81.1	161.9	0	0	0	107.6	V76	V76-L78 PolarHBondContact O-N 3.07Å
79	N	33.1	Very low	34.8	Very low	152 Å²	152	124.4 Å²	124.4	81%	0.813	74%	0.737	S	S	*	*			trans	-94.2	84.4	149.9	-81	-7.8	0	0	0	105.4	G77	G77-N79 PolarHBondContact O-N 3.09Å
80	E	27.6	Very low	32.2	Very low	180 Å²	180	131.4 Å²	131.4	84%	0.841	77%	0.77	S	S	*	*			trans	-178.7	85.2	151.3	-101.9	165.4	-164.4	0	0	108.4
81	W	23.7	Very low	30.6	Very low	231 Å²	231	136.1 Å²	136.1	88%	0.875	80%	0.797	S	S	*	*			trans	-80.9	131.9	152	-149.4	-78.4	0	0	0	106.4	Q83	W81-Q83 PolarHBondContact O-N 3.1Å
82	P	24.7	Very low	29.6	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	81%	0.809	S	S	*	*			trans	-67.3	109.9	-179.6	27	-32.4	0	0	0	108.9	D84	P82-D84 PolarHBondContact O-N 2.94Å
83	Q	28.2	Very low	29	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	82%	0.817	S	S	*	*			trans	-82.1	103.1	166.6	-74.4	-164.6	-12.6	0	0	108.3	W81	W81-Q83 PolarHBondContact O-N 3.1Å
84	D	28.3	Very low	28.5	Very low	165 Å²	165	138.6 Å²	138.6	88%	0.882	81%	0.814	S	S	*	*			trans	-61.1	134.2	160.7	-159.5	8.5	0	0	0	109	P82	P82-D84 PolarHBondContact O-N 2.94Å
85	G	27.1	Very low	28.2	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	82%	0.822	S	S	*	*			trans	-76.5	137.4	-171.1	0	0	0	0	0	112.9
86	G	24.7	Very low	28.3	Very low	80 Å²	80	147.8 Å²	147.8	83%	0.825	83%	0.829	S	S	*	*			trans	-177	111.8	170.3	0	0	0	0	0	113.5
87	N	28.7	Very low	28.3	Very low	179 Å²	179	147.9 Å²	147.9	96%	0.957	83%	0.83	S	S	*	*			trans	-53.3	148.8	-178.4	-69.9	-29	0	0	0	115.7
88	G	26	Very low	27.9	Very low	77 Å²	77	153.3 Å²	153.3	79%	0.794	84%	0.838	S	S	*	*			trans	-175.1	134.5	163.1	0	0	0	0	0	112.7
89	E	26.3	Very low	27.8	Very low	198 Å²	198	150.4 Å²	150.4	93%	0.925	83%	0.831	S	S	*	*			trans	-80.8	163	-163.1	-65.3	158.9	135	0	0	115.7
90	H	30.7	Very low	27.5	Very low	182 Å²	182	150.7 Å²	150.7	84%	0.843	83%	0.828	S	S	*	*			trans	-39	162.1	168.4	-83.1	-68.2	0	0	0	116.2
91	P	32.8	Very low	27.5	Very low	117 Å²	117	151.6 Å²	151.6	76%	0.76	83%	0.829	S	S	*	*			cis	-152.9	177.5	47.4	38.9	-14.6	0	0	0	119.5
92	D	33.4	Very low	27.8	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	82%	0.82	S	S	*	*			trans	-9.8	125.5	165	-75.5	-42.7	0	0	0	119.6
93	H	27.8	Very low	28	Very low	196 Å²	196	151.9 Å²	151.9	91%	0.907	83%	0.826	S	S	*	*				-178.6	103.3	129.5	-93.5	-56.6	0	0	0	110.1
94	A	25.9	Very low	28.1	Very low	97 Å²	97	149.8 Å²	149.8	80%	0.802	82%	0.821	S	S	*	*			trans	-109	121.9	168.6	0	0	0	0	0	110.1
95	P	26.8	Very low	28.4	Very low	115 Å²	115	146.9 Å²	146.9	75%	0.747	81%	0.813	S	S	*	*			trans	-82	121.5	160.8	26.5	-18.1	0	0	0	109	V97	P95-V97 PolarHBondContact O-N 3.13Å
96	R	31.3	Very low	29.2	Very low	248 Å²	248	148.5 Å²	148.5	94%	0.936	81%	0.805	S	S	*	*			trans	-62.5	110.7	166.5	-78	175.8	166.2	176.9	-3.9	109
97	V	26.9	Very low	30.1	Very low	133 Å²	133	147.7 Å²	147.7	81%	0.806	78%	0.784	S	S	*	*			trans	-100.9	125.7	163.5	-179.1	0	0	0	0	108.1	P95 S99	P95-V97 PolarHBondContact O-N 3.13Å; V97-S99 PolarHBondContact O-N 3.19Å
98	H	24.3	Very low	31.3	Very low	178 Å²	178	142 Å²	142	82%	0.824	76%	0.759	S	S	*	*			trans	-53.1	125.4	-179.2	-80.7	-90.5	0	0	0	111.7	E100	H98-E100 PolarHBondContact O-N 3.49Å; H98-E100 VanDerWaalsContact O-N 3.08Å
99	S	26.1	Very low	32.5	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	72%	0.724	S	S	*	*			trans	-74.4	93	169.1	63.8	0	0	0	0	109.3	V97 K101	V97-S99 PolarHBondContact O-N 3.19Å; S99-K101 PolarHBondContact O-N 2.87Å
100	E	25.4	Very low	33.9	Very low	159 Å²	159	130.2 Å²	130.2	74%	0.743	69%	0.685	S	S	*	*			trans	-67.2	115.3	157.8	-76.4	-171.7	146	0	0	108	H98 H102	H98-E100 PolarHBondContact O-N 3.49Å; H98-E100 VanDerWaalsContact O-N 3.08Å; E100-H102 PolarHBondContact O-N 2.81Å
101	K	29	Very low	35.3	Very low	199 Å²	199	122 Å²	122	87%	0.865	65%	0.646	S	S	*	*			trans	-69.9	76.9	174.3	-72.7	178.6	176.8	175.9	0	109.3	S99 K103	S99-K101 PolarHBondContact O-N 2.87Å; K101-K103 PolarHBondContact O-N 2.77Å
102	H	28.8	Very low	36.5	Very low	147 Å²	147	117.1 Å²	117.1	68%	0.681	61%	0.614	S	S	*	*			trans	-70.4	107.2	156.3	-85.1	-83	0	0	0	107.6	E100 L104	E100-H102 PolarHBondContact O-N 2.81Å; H102-L104 HydrophobicContact CB-CD1 4.36Å; H102-L104 PolarHBondContact O-N 3.4Å
103	K	29.7	Very low	37.9	Very low	203 Å²	203	111.9 Å²	111.9	88%	0.883	59%	0.587	S	S	*	*			trans	-59	91.9	160.2	-84.7	178.2	172.2	177.9	0	107.1	K101 S105	K101-K103 PolarHBondContact O-N 2.77Å; K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 2.8Å
104	L	30.3	Very low	39.4	Very low	145 Å²	145	107.6 Å²	107.6	76%	0.759	57%	0.567	S	S	*	*			trans	-64.4	96.5	161.9	-100	84.4	0	0	0	106.9	H102 N106	H102-L104 HydrophobicContact CB-CD1 4.36Å; H102-L104 PolarHBondContact O-N 3.4Å; L104-N106 VanDerWaalsContact C-N 3.34Å; L104-N106 PolarHBondContact O-N 3.08Å
105	S	33.9	Very low	40.9	Very low	104 Å²	104	104.5 Å²	104.5	73%	0.727	54%	0.538	S	S	*	.			trans	-65.3	99.4	163.1	54.5	0	0	0	0	107.1	K103 P107	K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 2.8Å; S105-P107 WeakPolarHBondContact O-CD 3.29Å; S105-P107 WeakPolarHBondContact O-CG 3.27Å
106	N	45.3	Very low	42.5	Very low	109 Å²	109	106.5 Å²	106.5	58%	0.583	54%	0.537	S	S	*	.			trans	-62.4	105.5	179.9	-160.7	-5.6	0	0	0	109.7	K52 L104	K52-N106 PolarHBondContact NZ-OD1 2.89Å; L104-N106 VanDerWaalsContact C-N 3.34Å; L104-N106 PolarHBondContact O-N 3.08Å
107	P	43.3	Very low	44.3	Very low	62 Å²	62	96.6 Å²	96.6	40%	0.403	50%	0.502	S	S	.	.			trans	-96.6	116.8	177.2	10.6	11.9	0	0	0	108.5	S105	S105-P107 WeakPolarHBondContact O-CD 3.29Å; S105-P107 WeakPolarHBondContact O-CG 3.27Å
108	S	52.8	Low	46.6	Very low	60 Å²	60	93.7 Å²	93.7	42%	0.42	49%	0.485	S	S	.	.			trans	-51	172.1	153	49.3	0	0	0	0	111.3	L110	S108-L110 PolarHBondContact O-N 3.16Å
109	C	52.3	Low	49.7	Very low	9 Å²	9	86 Å²	86	6%	0.061	45%	0.451	C	S	.	.	S	Bend	trans	-37.3	127.7	166	-170.3	0	0	0	0	110.5	S53 Q55	S53-C109 VanDerWaalsContact OG-CA 3.31Å; S53-C109 WeakPolarHBondContact OG-CA 3.48Å; S53-C109 WeakPolarHBondContact OG-CB 3.47Å; Q55-C109 PolarHBondContact NE2-SG 3.22Å
110	L	55.6	Low	52.9	Low	19 Å²	19	82.2 Å²	82.2	10%	0.099	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	130.4	-175.6	-153.3	158.7	0	0	0	106.5	R48 Q55 S108 D112 V153 Y162	R48-L110 VanDerWaalsContact NH1-N 3.19Å; Q55-L110 PolarHBondContact NE2-O 2.82Å; Q55-L110 VanDerWaalsContact NE2-O 3.09Å; S108-L110 PolarHBondContact O-N 3.16Å; L110-D112 VanDerWaalsContact C-N 3.34Å; L110-D112 PolarHBondContact O-N 3.23Å; L110-V153 HydrophobicContact CD1-CG1 4.19Å; L110-V153 HydrophobicContact CD2-CG1 4.39Å; L110-V153 HydrophobicContact CD2-CG2 4.3Å; L110-Y162 HydrophobicContact CD2-CE1 4.38Å
111	Y	59.4	Low	56.1	Low	9 Å²	9	74.7 Å²	74.7	4%	0.035	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-1.2	-175.3	-40.2	-68	0	0	0	117.8	V153 Y162 T175 L187 P188 F190	Y111-V153 HydrophobicContact CE1-CG2 4.35Å; Y111-V153 WeakPolarHBondContact OH-CG2 3.46Å; Y111-Y162 AromaticContact CD1-CD1 3.69Å; Y111-Y162 HydrophobicContact CD1-CD1 3.69Å; Y111-Y162 AromaticContact CD1-CD2 3.64Å; Y111-Y162 HydrophobicContact CD1-CD2 3.64Å; Y111-Y162 AromaticContact CD1-CE1 3.96Å; Y111-Y162 HydrophobicContact CD1-CE1 3.96Å; Y111-Y162 AromaticContact CD1-CE2 3.92Å; Y111-Y162 HydrophobicContact CD1-CE2 3.92Å; Y111-Y162 AromaticContact CD1-CG 3.5Å; Y111-Y162 HydrophobicContact CD1-CG 3.5Å; Y111-Y162 AromaticContact CE1-CD1 3.44Å; Y111-Y162 HydrophobicContact CE1-CD1 3.44Å; Y111-Y162 VanDerWaalsContact CE1-CD1 3.44Å; Y111-Y162 HydrophobicContact CE1-CD2 4.27Å; Y111-Y162 AromaticContact CE1-CE1 3.84Å; Y111-Y162 HydrophobicContact CE1-CE1 3.84Å; Y111-Y162 AromaticContact CE1-CG 3.67Å; Y111-Y162 HydrophobicContact CE1-CG 3.67Å; Y111-T175 PolarHBondContact O-OG1 3.42Å; Y111-L187 HydrophobicContact CD2-CD1 3.95Å; Y111-L187 HydrophobicContact CE2-CB 3.82Å; Y111-L187 HydrophobicContact CE2-CD1 3.51Å; Y111-L187 HydrophobicContact CE2-CG 4.17Å; Y111-P188 WeakPolarHBondContact OH-CD 3.36Å; Y111-F190 HydrophobicContact CE2-CE2 4.43Å
112	D	58.4	Low	59.3	Low	15 Å²	15	65.2 Å²	65.2	8%	0.08	35%	0.346	C	S	.	.			trans	-121.4	131.7	175.6	-147	-7.3	0	0	0	111.9	N68 L110 S123	N68-D112 PolarHBondContact ND2-OD2 3.03Å; L110-D112 VanDerWaalsContact C-N 3.34Å; L110-D112 PolarHBondContact O-N 3.23Å; D112-S123 PolarHBondContact OD2-OG 3.44Å; D112-S123 VanDerWaalsContact OD2-OG 3.06Å
113	V	62.5	Low	62.3	Low	35 Å²	35	58.2 Å²	58.2	21%	0.212	31%	0.314	C	S	.	.			trans	-84.3	133	175.3	178.6	0	0	0	0	104.7	T115 L147 V148 V164	V113-T115 HydrophobicContact CB-CG2 4.34Å; V113-T115 HydrophobicContact CG1-CG2 4.2Å; V113-T115 PolarHBondContact O-N 3.28Å; V113-T115 PolarHBondContact O-OG1 3.44Å; V113-L147 HydrophobicContact CB-CB 4.2Å; V113-L147 HydrophobicContact CB-CD1 4.01Å; V113-L147 HydrophobicContact CG1-CB 4.07Å; V113-L147 HydrophobicContact CG1-CD1 4.11Å; V113-L147 HydrophobicContact CG1-CG 4.47Å; V113-L147 HydrophobicContact CG2-CB 3.34Å; V113-L147 HydrophobicContact CG2-CD1 3.84Å; V113-L147 HydrophobicContact CG2-CG 4.2Å; V113-V148 HydrophobicContact CG2-CG2 3.57Å; V113-V164 HydrophobicContact CG2-CB 4.2Å; V113-V164 HydrophobicContact CG2-CG1 3.91Å; V113-V164 HydrophobicContact CG2-CG2 4.48Å
114	H	59.6	Low	65.4	Low	106 Å²	106	48.6 Å²	48.6	49%	0.491	27%	0.272	S	S	.	.			trans	-64.5	87.3	173	-79.6	-60.9	0	0	0	109.7
115	T	56.6	Low	68.5	Low	31 Å²	31	41.7 Å²	41.7	19%	0.19	24%	0.236	C	C	.	.			trans	-91.3	102.3	168.9	47.9	0	0	0	0	105.1	V113 H117	V113-T115 HydrophobicContact CB-CG2 4.34Å; V113-T115 HydrophobicContact CG1-CG2 4.2Å; V113-T115 PolarHBondContact O-N 3.28Å; V113-T115 PolarHBondContact O-OG1 3.44Å; T115-H117 WeakPolarHBondContact CB-CE1 3.35Å; T115-H117 WeakPolarHBondContact CB-NE2 3.05Å; T115-H117 PolarHBondContact O-CD2 2.9Å; T115-H117 PolarHBondContact O-N 3.08Å; T115-H117 PolarHBondContact O-NE2 3.36Å; T115-H117 PolarHBondContact OG1-CE1 3.39Å; T115-H117 VanDerWaalsContact OG1-CE1 3.3Å; T115-H117 PolarHBondContact OG1-NE2 3.17Å
116	H	60.6	Low	71.4	Confident	158 Å²	158	36.8 Å²	36.8	73%	0.731	20%	0.201	S	C	*	.			trans	-59.5	115.2	177.8	-175.2	-65.4	0	0	0	108.2
117	H	68.8	Low	73.7	Confident	40 Å²	40	31.6 Å²	31.6	19%	0.185	17%	0.173	C	C	.	.			trans	-117.5	138.6	179.4	-62.2	-37.9	0	0	0	109.9	T115 V119 N171	T115-H117 WeakPolarHBondContact CB-CE1 3.35Å; T115-H117 WeakPolarHBondContact CB-NE2 3.05Å; T115-H117 PolarHBondContact O-CD2 2.9Å; T115-H117 PolarHBondContact O-N 3.08Å; T115-H117 PolarHBondContact O-NE2 3.36Å; T115-H117 PolarHBondContact OG1-CE1 3.39Å; T115-H117 VanDerWaalsContact OG1-CE1 3.3Å; T115-H117 PolarHBondContact OG1-NE2 3.17Å; H117-V119 PolarHBondContact O-N 3.37Å; H117-N171 WeakPolarHBondContact CE1-CB 3.4Å
118	P	76.6	Confident	76.1	Confident	72 Å²	72	29.4 Å²	29.4	47%	0.468	16%	0.158	S	C	.	.	S	Bend	trans	-73.9	-19.2	-176.8	29.2	-33	0	0	0	112.8	R311	P118-R311 HydrophobicContact CG-CB 4.01Å; P118-R311 HydrophobicContact CG-CG 4.03Å
119	V	89.4	Confident	78	Confident	15 Å²	15	26.6 Å²	26.6	9%	0.091	14%	0.138	C	C	.	.	S	Bend	trans	-137.7	157.8	-176.5	-57.4	0	0	0	0	110.4	H117 S121 Q309 E405	H117-V119 PolarHBondContact O-N 3.37Å; V119-S121 PolarHBondContact O-N 3.06Å; V119-Q309 WeakPolarHBondContact CG1-O 3.39Å; V119-E405 HydrophobicContact CB-CG 4.43Å; V119-E405 HydrophobicContact CG1-CG 3.98Å
120	D	92.4	Very high	79.8	Confident	30 Å²	30	31 Å²	31	16%	0.16	16%	0.157	C	C	.	.			trans	-61.5	129.4	172.3	-72.6	5.2	0	0	0	109.7	V26 S27 F403	V26-D120 WeakPolarHBondContact CA-OD1 3.38Å; V26-D120 HydrophobicContact CB-CB 4.29Å; V26-D120 HydrophobicContact CG1-CB 4.01Å; S27-D120 VanDerWaalsContact CB-OD1 3.32Å; S27-D120 WeakPolarHBondContact CB-OD1 3.45Å; S27-D120 PolarHBondContact N-OD1 2.78Å; S27-D120 PolarHBondContact N-OD2 3Å; S27-D120 PolarHBondContact OG-OD1 3.21Å; S27-D120 PolarHBondContact OG-OD2 3.34Å; D120-F403 HydrophobicContact CB-CB 4.42Å; D120-F403 HydrophobicContact CB-CD1 3.67Å; D120-F403 HydrophobicContact CB-CD2 3.98Å; D120-F403 HydrophobicContact CB-CE1 3.83Å; D120-F403 HydrophobicContact CB-CE2 4.13Å; D120-F403 HydrophobicContact CB-CG 3.76Å; D120-F403 HydrophobicContact CB-CZ 4.06Å; D120-F403 WeakPolarHBondContact O-CD2 3.31Å; D120-F403 WeakPolarHBondContact O-CE2 3.49Å
121	S	93.3	Very high	81.5	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	163.2	-173.4	-172.3	0	0	0	0	112.9	L24 H25 V119 S123 N171 H310	L24-S121 WeakPolarHBondContact CA-O 3.49Å; H25-S121 PolarHBondContact N-O 3.29Å; H25-S121 PolarHBondContact O-N 2.86Å; H25-S121 VanDerWaalsContact O-N 3.1Å; V119-S121 PolarHBondContact O-N 3.06Å; S121-S123 PolarHBondContact O-N 2.81Å; S121-N171 PolarHBondContact OG-ND2 2.95Å; S121-H310 WeakPolarHBondContact CB-NE2 3.13Å; S121-H310 PolarHBondContact OG-NE2 3.07Å
122	V	94.8	Very high	83.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.5	165.3	176.7	0	0	0	0	108.8	V22 S23 L24 N171 V315 F408	V22-V122 HydrophobicContact CG1-CB 4.45Å; V22-V122 HydrophobicContact CG1-CG1 3.4Å; V22-V122 VanDerWaalsContact CG1-CG1 3.4Å; V22-V122 HydrophobicContact CG1-CG2 4.2Å; S23-V122 WeakPolarHBondContact O-CA 3.48Å; L24-V122 HydrophobicContact CD2-CG2 4.02Å; L24-V122 HydrophobicContact CG-CG2 4.13Å; V122-N171 PolarHBondContact O-ND2 3.14Å; V122-V315 HydrophobicContact CB-CB 3.87Å; V122-V315 HydrophobicContact CB-CG1 4.41Å; V122-V315 HydrophobicContact CB-CG2 3.99Å; V122-V315 HydrophobicContact CG1-CB 4.17Å; V122-V315 HydrophobicContact CG1-CG2 3.76Å; V122-V315 HydrophobicContact CG2-CB 4.21Å; V122-V315 HydrophobicContact CG2-CG1 4.26Å; V122-F408 HydrophobicContact CG2-CD1 4.34Å; V122-F408 HydrophobicContact CG2-CD2 3.7Å; V122-F408 HydrophobicContact CG2-CE1 4.09Å; V122-F408 HydrophobicContact CG2-CE2 3.42Å; V122-F408 VanDerWaalsContact CG2-CE2 3.42Å; V122-F408 HydrophobicContact CG2-CG 4.16Å; V122-F408 HydrophobicContact CG2-CZ 3.63Å
123	S	92.3	Very high	85	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-25.2	-177.4	60.6	0	0	0	0	113.3	S23 D112 S121 V172 C173	S23-S123 PolarHBondContact O-N 2.87Å; D112-S123 PolarHBondContact OD2-OG 3.44Å; D112-S123 VanDerWaalsContact OD2-OG 3.06Å; S121-S123 PolarHBondContact O-N 2.81Å; S123-V172 CarbonylContact O-C 3.6Å; S123-V172 WeakPolarHBondContact O-CA 3.44Å; S123-C173 PolarHBondContact O-N 2.77Å; S123-C173 PolarHBondContact O-SG 3.29Å
124	N	94.4	Very high	86.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.6	-170	-172.1	21.2	0	0	0	112	V22 S23 C173 T175	V22-N124 WeakPolarHBondContact CA-O 3.25Å; S23-N124 PolarHBondContact N-O 3.03Å; S23-N124 PolarHBondContact O-N 2.91Å; N124-C173 WeakPolarHBondContact CA-O 3.5Å; N124-C173 PolarHBondContact OD1-O 3.33Å; N124-C173 VanDerWaalsContact OD1-O 3.11Å; N124-C173 PolarHBondContact OD1-SG 3.16Å; N124-T175 PolarHBondContact ND2-OG1 3.16Å; N124-T175 PolarHBondContact OD1-N 3.36Å; N124-T175 PolarHBondContact OD1-OG1 3.46Å
125	V	95.9	Very high	88	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106	166.9	179.7	0	0	0	0	107.5	L19 F127 V172 C173 H174 I214 F289	L19-V125 HydrophobicContact CD1-CG1 4.18Å; L19-V125 HydrophobicContact CG-CG1 4.24Å; V125-F127 HydrophobicContact CG1-CE1 4.23Å; V125-F127 HydrophobicContact CG1-CE2 4.37Å; V125-F127 HydrophobicContact CG1-CZ 3.98Å; V125-V172 HydrophobicContact CG2-CG1 4.33Å; V125-C173 PolarHBondContact N-O 3.33Å; V125-H174 WeakPolarHBondContact O-CA 3.46Å; V125-H174 PolarHBondContact O-ND1 3.09Å; V125-I214 HydrophobicContact CG1-CD1 3.83Å; V125-I214 HydrophobicContact CG2-CD1 3.81Å; V125-F289 HydrophobicContact CG1-CZ 4.31Å
126	C	95.6	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.2	-173	-178.3	0	0	0	0	111.7	H20 H21 T175	H20-C126 PolarHBondContact N-O 3.47Å; H21-C126 WeakPolarHBondContact CE1-CB 3.27Å; H21-C126 PolarHBondContact CE1-SG 3.04Å; H21-C126 WeakPolarHBondContact O-CB 3.37Å; H21-C126 PolarHBondContact O-N 3.41Å; C126-T175 CarbonylContact C-O 3.53Å; C126-T175 WeakPolarHBondContact CA-O 2.8Å; C126-T175 PolarHBondContact SG-O 3.15Å
127	F	94.3	Very high	91.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	177.2	-56.8	-75.3	0	0	0	111.9	L16 R18 L19 V125 H174 T175 L176 V177 F289	L16-F127 HydrophobicContact CD1-CB 4.42Å; L16-F127 HydrophobicContact CD1-CD1 3.82Å; L16-F127 HydrophobicContact CD1-CD2 4.19Å; L16-F127 HydrophobicContact CD1-CE1 3.96Å; L16-F127 HydrophobicContact CD1-CE2 4.29Å; L16-F127 HydrophobicContact CD1-CG 3.91Å; L16-F127 HydrophobicContact CD1-CZ 4.15Å; L16-F127 HydrophobicContact CD2-CB 3.84Å; L16-F127 HydrophobicContact CD2-CD2 4.41Å; L16-F127 HydrophobicContact CD2-CG 4.14Å; R18-F127 WeakPolarHBondContact O-CA 3.14Å; L19-F127 HydrophobicContact CB-CD1 4.43Å; V125-F127 HydrophobicContact CG1-CE1 4.23Å; V125-F127 HydrophobicContact CG1-CE2 4.37Å; V125-F127 HydrophobicContact CG1-CZ 3.98Å; F127-H174 HydrophobicContact CD2-CB 4.34Å; F127-H174 HydrophobicContact CE2-CB 4.27Å; F127-H174 AromaticContact CE2-CE1 3.91Å; F127-H174 AromaticContact CE2-CG 3.85Å; F127-H174 AromaticContact CE2-ND1 3.34Å; F127-H174 VanDerWaalsContact CE2-ND1 3.34Å; F127-H174 WeakPolarHBondContact CE2-ND1 3.46Å; F127-T175 PolarHBondContact N-O 3.44Å; F127-L176 HydrophobicContact CB-CD2 4.17Å; F127-L176 HydrophobicContact CD2-CD2 4.26Å; F127-L176 WeakPolarHBondContact O-CA 3.49Å; F127-V177 PolarHBondContact O-N 3.24Å; F127-F289 HydrophobicContact CE1-CZ 4.06Å; F127-F289 AromaticContact CZ-CE2 3.92Å; F127-F289 HydrophobicContact CZ-CE2 3.92Å; F127-F289 AromaticContact CZ-CZ 3.6Å; F127-F289 HydrophobicContact CZ-CZ 3.6Å
128	E	93.1	Very high	92.5	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.1	169.9	-164.9	-177.6	138.1	0	0	110.3	R17 R18 V177	R17-E128 HydrophobicContact CB-CB 4.23Å; R17-E128 HydrophobicContact CB-CG 4.47Å; R17-E128 WeakPolarHBondContact CB-O 2.88Å; R17-E128 IonicContact CZ-OE1 3.18Å; R17-E128 PolarHBondContact N-O 3.37Å; R17-E128 IonicContact NE-OE1 2.86Å; R17-E128 IonicContact NH1-OE1 2.86Å; R17-E128 PolarHBondContact NH1-OE1 2.91Å; R18-E128 HydrophobicContact CG-CB 4.09Å; R18-E128 IonicContact CZ-OE2 3.18Å; R18-E128 IonicContact NE-OE2 3.76Å; R18-E128 PolarHBondContact NE-OE2 3.45Å; R18-E128 IonicContact NH2-OE2 3.35Å; R18-E128 PolarHBondContact NH2-OE2 3.21Å; R18-E128 PolarHBondContact O-N 2.98Å; E128-V177 CarbonylContact C-O 3.58Å; E128-V177 VanDerWaalsContact CA-O 3.31Å; E128-V177 WeakPolarHBondContact CA-O 3.24Å; E128-V177 HydrophobicContact CB-CG1 4.34Å; E128-V177 HydrophobicContact CG-CG1 4.48Å
129	V	92.4	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.			trans	-131.4	159.2	176.5	-61	0	0	0	0	110.2	V14 L16 V132 L176 V177	V14-V129 HydrophobicContact CG1-CG1 4.18Å; L16-V129 HydrophobicContact CD2-CG1 3.84Å; V129-V132 HydrophobicContact CG2-CB 4.38Å; V129-V132 HydrophobicContact CG2-CG2 3.42Å; V129-V132 VanDerWaalsContact CG2-CG2 3.42Å; V129-L176 HydrophobicContact CG1-CB 4.3Å; V129-L176 HydrophobicContact CG1-CD2 4.14Å; V129-L176 HydrophobicContact CG2-CB 4.17Å; V129-V177 PolarHBondContact N-O 3.44Å
130	E	89.5	Confident	93.4	Very high	101 Å²	101	39.3 Å²	39.3	47%	0.472	17%	0.173	S	C	.	.	S	Bend	trans	-75.9	-30	178.1	-69.6	178.6	179.8	0	0	113	R17 K272	R17-E130 HydrophobicContact CG-CG 4.12Å; E130-K272 IonicContact OE1-NZ 3.02Å
131	D	92.1	Very high	93.3	Very high	69 Å²	69	44.8 Å²	44.8	37%	0.369	20%	0.198	S	C	.	.			trans	-154.3	104.1	-175.7	-178.5	-20.5	0	0	0	109.7	E133 R134 S135	D131-E133 WeakPolarHBondContact OD1-CB 3.29Å; D131-E133 PolarHBondContact OD1-N 2.95Å; D131-R134 HydrophobicContact CB-CB 3.97Å; D131-R134 VanDerWaalsContact CG-CB 3.41Å; D131-R134 PolarHBondContact OD1-N 2.93Å; D131-R134 WeakPolarHBondContact OD2-CB 3.47Å; D131-S135 WeakPolarHBondContact O-CB 3.2Å; D131-S135 PolarHBondContact O-N 2.9Å; D131-S135 VanDerWaalsContact O-N 3.07Å; D131-S135 PolarHBondContact O-OG 3.15Å
132	V	95.4	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-37.2	179.4	163.5	0	0	0	0	112.1	V129 S135 F136 P150 T161 L176 D178	V129-V132 HydrophobicContact CG2-CB 4.38Å; V129-V132 HydrophobicContact CG2-CG2 3.42Å; V129-V132 VanDerWaalsContact CG2-CG2 3.42Å; V132-S135 PolarHBondContact O-N 3.28Å; V132-F136 VanDerWaalsContact O-CB 3.3Å; V132-F136 WeakPolarHBondContact O-CB 3.28Å; V132-F136 PolarHBondContact O-N 3.42Å; V132-P150 HydrophobicContact CG1-CB 4.17Å; V132-P150 HydrophobicContact CG1-CG 4.26Å; V132-T161 HydrophobicContact CB-CG2 4Å; V132-T161 HydrophobicContact CG1-CG2 4.01Å; V132-T161 WeakPolarHBondContact CG2-O 3.46Å; V132-L176 HydrophobicContact CG2-CB 4.24Å; V132-L176 WeakPolarHBondContact CG2-O 3.42Å; V132-D178 HydrophobicContact CB-CB 4.29Å; V132-D178 HydrophobicContact CG2-CB 3.72Å
133	E	94.6	Very high	92.9	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-66.1	-43.9	-178.2	-75.9	-72.2	179.9	0	0	111.5	D131 F136 K137 P150	D131-E133 WeakPolarHBondContact OD1-CB 3.29Å; D131-E133 PolarHBondContact OD1-N 2.95Å; E133-F136 PolarHBondContact O-N 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.48Å; E133-K137 PolarHBondContact O-N 2.92Å; E133-K137 VanDerWaalsContact O-N 3.1Å; E133-P150 VanDerWaalsContact CD-CB 3.44Å; E133-P150 HydrophobicContact CG-CB 4.3Å; E133-P150 WeakPolarHBondContact OE1-CB 3.41Å
134	R	93.3	Very high	92.8	Very high	172 Å²	172	49.8 Å²	49.8	65%	0.649	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-45.7	173.1	-179.3	178.5	176.8	176.6	-1.9	111	D131 F136 K137 V138	D131-R134 HydrophobicContact CB-CB 3.97Å; D131-R134 VanDerWaalsContact CG-CB 3.41Å; D131-R134 PolarHBondContact OD1-N 2.93Å; D131-R134 WeakPolarHBondContact OD2-CB 3.47Å; R134-F136 VanDerWaalsContact C-N 3.32Å; R134-F136 PolarHBondContact O-N 3.03Å; R134-K137 PolarHBondContact O-N 3.31Å; R134-V138 WeakPolarHBondContact O-CG2 3.46Å; R134-V138 PolarHBondContact O-N 2.87Å; R134-V138 VanDerWaalsContact O-N 3.13Å
135	S	93.1	Very high	92.7	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-44.1	178.7	-59.3	0	0	0	0	111.5	V14 D131 V132 V138 L139	V14-S135 WeakPolarHBondContact CG1-OG 3.14Å; D131-S135 WeakPolarHBondContact O-CB 3.2Å; D131-S135 PolarHBondContact O-N 2.9Å; D131-S135 VanDerWaalsContact O-N 3.07Å; D131-S135 PolarHBondContact O-OG 3.15Å; V132-S135 PolarHBondContact O-N 3.28Å; S135-V138 PolarHBondContact O-N 3.39Å; S135-L139 WeakPolarHBondContact O-CB 3.35Å; S135-L139 VanDerWaalsContact O-CG 3.31Å; S135-L139 WeakPolarHBondContact O-CG 3.5Å; S135-L139 PolarHBondContact O-N 3.48Å
136	F	93.7	Very high	92.5	Very high	23 Å²	23	57.5 Å²	57.5	10%	0.101	28%	0.279	C	S	.	.	H	α-helix	trans	-58.9	-49.7	176	174.6	-102.4	0	0	0	112.5	V132 E133 R134 V138 L139 R140 F146 P149 P150	V132-F136 VanDerWaalsContact O-CB 3.3Å; V132-F136 WeakPolarHBondContact O-CB 3.28Å; V132-F136 PolarHBondContact O-N 3.42Å; E133-F136 PolarHBondContact O-N 3.5Å; R134-F136 VanDerWaalsContact C-N 3.32Å; R134-F136 PolarHBondContact O-N 3.03Å; F136-V138 VanDerWaalsContact C-N 3.29Å; F136-V138 PolarHBondContact O-N 2.98Å; F136-L139 PolarHBondContact O-N 3.48Å; F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 PolarHBondContact O-N 3.43Å; F136-F146 HydrophobicContact CB-CZ 4.36Å; F136-F146 AromaticContact CD2-CD1 3.59Å; F136-F146 HydrophobicContact CD2-CD1 3.59Å; F136-F146 AromaticContact CD2-CD2 3.78Å; F136-F146 HydrophobicContact CD2-CD2 3.78Å; F136-F146 AromaticContact CD2-CE1 3.4Å; F136-F146 HydrophobicContact CD2-CE1 3.4Å; F136-F146 AromaticContact CD2-CE2 3.6Å; F136-F146 HydrophobicContact CD2-CE2 3.6Å; F136-F146 AromaticContact CD2-CG 3.78Å; F136-F146 HydrophobicContact CD2-CG 3.78Å; F136-F146 AromaticContact CD2-CZ 3.4Å; F136-F146 HydrophobicContact CD2-CZ 3.4Å; F136-F146 HydrophobicContact CE2-CB 4.12Å; F136-F146 AromaticContact CE2-CD1 3.78Å; F136-F146 HydrophobicContact CE2-CD1 3.78Å; F136-F146 AromaticContact CE2-CD2 3.56Å; F136-F146 HydrophobicContact CE2-CD2 3.56Å; F136-F146 HydrophobicContact CE2-CE1 4.06Å; F136-F146 AromaticContact CE2-CE2 3.84Å; F136-F146 HydrophobicContact CE2-CE2 3.84Å; F136-F146 AromaticContact CE2-CG 3.52Å; F136-F146 HydrophobicContact CE2-CG 3.52Å; F136-F146 HydrophobicContact CE2-CZ 4.08Å; F136-F146 HydrophobicContact CG-CE1 4.42Å; F136-F146 HydrophobicContact CG-CZ 4.24Å; F136-P149 HydrophobicContact CE2-CB 4.42Å; F136-P149 HydrophobicContact CZ-CB 4.44Å; F136-P150 HydrophobicContact CB-CG 3.47Å; F136-P150 VanDerWaalsContact CB-CG 3.47Å; F136-P150 HydrophobicContact CD1-CG 3.74Å; F136-P150 HydrophobicContact CD2-CG 3.79Å; F136-P150 HydrophobicContact CE1-CG 4.37Å; F136-P150 HydrophobicContact CE2-CG 4.42Å; F136-P150 VanDerWaalsContact CG-CD 3.48Å; F136-P150 HydrophobicContact CG-CG 3.39Å
137	K	93.2	Very high	92.3	Very high	127 Å²	127	60.6 Å²	60.6	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-57.6	-44.6	179.2	-72.9	169.2	-173.4	169.2	0	111.4	E133 R134 Q141	E133-K137 WeakPolarHBondContact O-CG 3.48Å; E133-K137 PolarHBondContact O-N 2.92Å; E133-K137 VanDerWaalsContact O-N 3.1Å; R134-K137 PolarHBondContact O-N 3.31Å; K137-Q141 VanDerWaalsContact O-CG 3.28Å; K137-Q141 WeakPolarHBondContact O-CG 3.35Å; K137-Q141 PolarHBondContact O-N 3.02Å; K137-Q141 VanDerWaalsContact O-N 3.16Å
138	V	92.2	Very high	92.2	Very high	31 Å²	31	61.9 Å²	61.9	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-52.3	179.7	169.9	0	0	0	0	111.4	M12 V14 R134 S135 F136 R140 Q141 L142	M12-V138 HydrophobicContact CB-CG1 4.33Å; M12-V138 WeakPolarHBondContact O-CG1 3.43Å; V14-V138 HydrophobicContact CG2-CB 4.4Å; V14-V138 HydrophobicContact CG2-CG1 4.21Å; R134-V138 WeakPolarHBondContact O-CG2 3.46Å; R134-V138 PolarHBondContact O-N 2.87Å; R134-V138 VanDerWaalsContact O-N 3.13Å; S135-V138 PolarHBondContact O-N 3.39Å; F136-V138 VanDerWaalsContact C-N 3.29Å; F136-V138 PolarHBondContact O-N 2.98Å; V138-R140 VanDerWaalsContact C-N 3.32Å; V138-R140 PolarHBondContact O-N 2.95Å; V138-Q141 WeakPolarHBondContact O-CB 3.25Å; V138-Q141 PolarHBondContact O-N 3.37Å; V138-L142 HydrophobicContact CG1-CD1 4.29Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.48Å; V138-L142 VanDerWaalsContact O-N 3.12Å
139	L	93	Very high	92.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-37.9	-179.8	-70.5	173.1	0	0	0	112.4	V14 S135 F136 Q141 L142 G143 C144 F146 V165 L176 L233 F234	V14-L139 HydrophobicContact CB-CD2 4.47Å; V14-L139 HydrophobicContact CG2-CD1 3.81Å; V14-L139 HydrophobicContact CG2-CD2 3.74Å; V14-L139 HydrophobicContact CG2-CG 3.45Å; V14-L139 VanDerWaalsContact CG2-CG 3.45Å; S135-L139 WeakPolarHBondContact O-CB 3.35Å; S135-L139 VanDerWaalsContact O-CG 3.31Å; S135-L139 WeakPolarHBondContact O-CG 3.5Å; S135-L139 PolarHBondContact O-N 3.48Å; F136-L139 PolarHBondContact O-N 3.48Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.04Å; L139-L142 CarbonylContact O-C 3.58Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-L142 VanDerWaalsContact O-N 3.08Å; L139-G143 PolarHBondContact O-N 3.48Å; L139-C144 HydrophobicContact CB-CB 3.95Å; L139-C144 WeakPolarHBondContact O-CB 3.24Å; L139-C144 PolarHBondContact O-N 2.92Å; L139-C144 PolarHBondContact O-SG 2.91Å; L139-C144 VanDerWaalsContact O-SG 3.42Å; L139-F146 HydrophobicContact CB-CE2 3.93Å; L139-F146 HydrophobicContact CB-CZ 3.71Å; L139-F146 HydrophobicContact CD1-CZ 3.96Å; L139-F146 HydrophobicContact CG-CZ 4.49Å; L139-V165 HydrophobicContact CD1-CG2 3.99Å; L139-L176 HydrophobicContact CD1-CD1 3.69Å; L139-L233 HydrophobicContact CD2-CB 3.76Å; L139-L233 HydrophobicContact CD2-CD2 3.99Å; L139-L233 HydrophobicContact CD2-CG 4.32Å; L139-F234 HydrophobicContact CD1-CE1 4.27Å; L139-F234 HydrophobicContact CD1-CZ 4.39Å
140	R	92.2	Very high	92.3	Very high	166 Å²	166	65.9 Å²	65.9	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-64.5	-37.6	176.8	-170.1	167	-178.3	167	2.1	111.8	F136 V138 L142 G143 F146	F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 PolarHBondContact O-N 3.43Å; V138-R140 VanDerWaalsContact C-N 3.32Å; V138-R140 PolarHBondContact O-N 2.95Å; R140-L142 VanDerWaalsContact C-N 3.27Å; R140-L142 PolarHBondContact O-N 3.01Å; R140-G143 PolarHBondContact O-N 3.06Å; R140-F146 HydrophobicContact CB-CE2 4.3Å
141	Q	91.4	Very high	92.5	Very high	145 Å²	145	63.3 Å²	63.3	68%	0.678	32%	0.321	S	S	*	.	H	α-helix	trans	-66.1	-29.8	172.3	-72.7	172.4	3.2	0	0	112.6	K137 V138 L139 G143	K137-Q141 VanDerWaalsContact O-CG 3.28Å; K137-Q141 WeakPolarHBondContact O-CG 3.35Å; K137-Q141 PolarHBondContact O-N 3.02Å; K137-Q141 VanDerWaalsContact O-N 3.16Å; V138-Q141 WeakPolarHBondContact O-CB 3.25Å; V138-Q141 PolarHBondContact O-N 3.37Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.04Å; Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 3.27Å
142	L	90.8	Very high	92.6	Very high	30 Å²	30	63.7 Å²	63.7	16%	0.157	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.8	176.4	-66	174.4	0	0	0	114	M12 V138 L139 R140 K232 L233	M12-L142 HydrophobicContact CE-CD2 3.65Å; M12-L142 HydrophobicContact CE-CG 4.36Å; M12-L142 WeakPolarHBondContact O-CD1 3.46Å; V138-L142 HydrophobicContact CG1-CD1 4.29Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.48Å; V138-L142 VanDerWaalsContact O-N 3.12Å; L139-L142 CarbonylContact O-C 3.58Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-L142 VanDerWaalsContact O-N 3.08Å; R140-L142 VanDerWaalsContact C-N 3.27Å; R140-L142 PolarHBondContact O-N 3.01Å; L142-K232 PolarHBondContact O-NZ 3.32Å; L142-K232 VanDerWaalsContact O-NZ 3.07Å; L142-L233 HydrophobicContact CB-CD2 3.58Å; L142-L233 HydrophobicContact CD1-CD2 3.77Å; L142-L233 HydrophobicContact CG-CD2 4.32Å
143	G	89.5	Confident	92.4	Very high	61 Å²	61	65 Å²	65	63%	0.629	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	18.6	175.7	0	0	0	0	0	115.1	L139 R140 Q141	L139-G143 PolarHBondContact O-N 3.48Å; R140-G143 PolarHBondContact O-N 3.06Å; Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 3.27Å
144	C	89.9	Confident	92.3	Very high	14 Å²	14	67.8 Å²	67.8	10%	0.095	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-71.5	141.2	179.9	-65.6	0	0	0	0	113.3	L139 F146 V165 L233	L139-C144 HydrophobicContact CB-CB 3.95Å; L139-C144 WeakPolarHBondContact O-CB 3.24Å; L139-C144 PolarHBondContact O-N 2.92Å; L139-C144 PolarHBondContact O-SG 2.91Å; L139-C144 VanDerWaalsContact O-SG 3.42Å; C144-F146 HydrophobicContact CB-CE2 4.01Å; C144-V165 HydrophobicContact CB-CG1 4.31Å; C144-L233 WeakPolarHBondContact SG-CD1 3.44Å; C144-L233 WeakPolarHBondContact SG-CD2 3.18Å
145	N	90.6	Very high	92.2	Very high	119 Å²	119	61.6 Å²	61.6	64%	0.636	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-87.1	125.3	171	-67.6	-43.3	0	0	0	110.2	K166	N145-K166 HydrophobicContact CB-CB 4.35Å; N145-K166 PolarHBondContact O-N 2.85Å
146	F	92.8	Very high	92.2	Very high	45 Å²	45	70.8 Å²	70.8	20%	0.197	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.7	174.6	-76.5	-92.5	0	0	0	109.9	F136 L139 R140 C144 V164 V165	F136-F146 HydrophobicContact CB-CZ 4.36Å; F136-F146 AromaticContact CD2-CD1 3.59Å; F136-F146 HydrophobicContact CD2-CD1 3.59Å; F136-F146 AromaticContact CD2-CD2 3.78Å; F136-F146 HydrophobicContact CD2-CD2 3.78Å; F136-F146 AromaticContact CD2-CE1 3.4Å; F136-F146 HydrophobicContact CD2-CE1 3.4Å; F136-F146 AromaticContact CD2-CE2 3.6Å; F136-F146 HydrophobicContact CD2-CE2 3.6Å; F136-F146 AromaticContact CD2-CG 3.78Å; F136-F146 HydrophobicContact CD2-CG 3.78Å; F136-F146 AromaticContact CD2-CZ 3.4Å; F136-F146 HydrophobicContact CD2-CZ 3.4Å; F136-F146 HydrophobicContact CE2-CB 4.12Å; F136-F146 AromaticContact CE2-CD1 3.78Å; F136-F146 HydrophobicContact CE2-CD1 3.78Å; F136-F146 AromaticContact CE2-CD2 3.56Å; F136-F146 HydrophobicContact CE2-CD2 3.56Å; F136-F146 HydrophobicContact CE2-CE1 4.06Å; F136-F146 AromaticContact CE2-CE2 3.84Å; F136-F146 HydrophobicContact CE2-CE2 3.84Å; F136-F146 AromaticContact CE2-CG 3.52Å; F136-F146 HydrophobicContact CE2-CG 3.52Å; F136-F146 HydrophobicContact CE2-CZ 4.08Å; F136-F146 HydrophobicContact CG-CE1 4.42Å; F136-F146 HydrophobicContact CG-CZ 4.24Å; L139-F146 HydrophobicContact CB-CE2 3.93Å; L139-F146 HydrophobicContact CB-CZ 3.71Å; L139-F146 HydrophobicContact CD1-CZ 3.96Å; L139-F146 HydrophobicContact CG-CZ 4.49Å; R140-F146 HydrophobicContact CB-CE2 4.3Å; C144-F146 HydrophobicContact CB-CE2 4.01Å; F146-V164 CarbonylContact C-O 3.56Å; F146-V164 WeakPolarHBondContact CA-O 3.46Å; F146-V165 HydrophobicContact CD1-CG2 4Å; F146-V165 HydrophobicContact CE1-CG2 3.43Å; F146-V165 VanDerWaalsContact CE1-CG2 3.43Å; F146-V165 HydrophobicContact CZ-CG2 3.89Å
147	L	91.5	Very high	92.2	Very high	64 Å²	64	73.7 Å²	73.7	34%	0.335	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-34.5	170.8	-58.1	177	0	0	0	110.6	V113 V164 K166 C173	V113-L147 HydrophobicContact CB-CB 4.2Å; V113-L147 HydrophobicContact CB-CD1 4.01Å; V113-L147 HydrophobicContact CG1-CB 4.07Å; V113-L147 HydrophobicContact CG1-CD1 4.11Å; V113-L147 HydrophobicContact CG1-CG 4.47Å; V113-L147 HydrophobicContact CG2-CB 3.34Å; V113-L147 HydrophobicContact CG2-CD1 3.84Å; V113-L147 HydrophobicContact CG2-CG 4.2Å; L147-V164 HydrophobicContact CB-CB 4.31Å; L147-V164 HydrophobicContact CB-CG1 4.17Å; L147-V164 HydrophobicContact CD1-CG1 4.13Å; L147-V164 PolarHBondContact N-O 3.42Å; L147-K166 HydrophobicContact CD1-CB 4.23Å; L147-K166 HydrophobicContact CD2-CB 4.12Å; L147-K166 HydrophobicContact CD2-CD 4.36Å; L147-K166 HydrophobicContact CG-CB 4Å; L147-C173 HydrophobicContact CD1-CB 4.01Å
148	V	91.6	Very high	92.2	Very high	29 Å²	29	68.5 Å²	68.5	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.5	174.1	-171.5	0	0	0	0	108.6	V113 Y162 V164	V113-V148 HydrophobicContact CG2-CG2 3.57Å; V148-Y162 HydrophobicContact CB-CE2 4.49Å; V148-Y162 HydrophobicContact CG1-CE2 3.9Å; V148-V164 HydrophobicContact CB-CB 3.9Å; V148-V164 HydrophobicContact CB-CG2 3.85Å; V148-V164 HydrophobicContact CG2-CB 3.9Å; V148-V164 HydrophobicContact CG2-CG2 3.76Å; V148-V164 PolarHBondContact N-O 3.11Å; V148-V164 PolarHBondContact O-N 3.14Å
149	P	93.3	Very high	92.3	Very high	76 Å²	76	69.9 Å²	69.9	49%	0.494	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	167.6	172.4	31.9	-35.7	0	0	0	110.8	F136 T151	F136-P149 HydrophobicContact CE2-CB 4.42Å; F136-P149 HydrophobicContact CZ-CB 4.44Å; P149-T151 PolarHBondContact O-N 3.36Å; P149-T151 PolarHBondContact O-OG1 3.24Å
150	P	95.4	Very high	92.4	Very high	24 Å²	24	69.9 Å²	69.9	16%	0.156	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.7	118.7	174.2	-31.2	38.2	0	0	0	111.3	V132 E133 F136 Y162	V132-P150 HydrophobicContact CG1-CB 4.17Å; V132-P150 HydrophobicContact CG1-CG 4.26Å; E133-P150 VanDerWaalsContact CD-CB 3.44Å; E133-P150 HydrophobicContact CG-CB 4.3Å; E133-P150 WeakPolarHBondContact OE1-CB 3.41Å; F136-P150 HydrophobicContact CB-CG 3.47Å; F136-P150 VanDerWaalsContact CB-CG 3.47Å; F136-P150 HydrophobicContact CD1-CG 3.74Å; F136-P150 HydrophobicContact CD2-CG 3.79Å; F136-P150 HydrophobicContact CE1-CG 4.37Å; F136-P150 HydrophobicContact CE2-CG 4.42Å; F136-P150 VanDerWaalsContact CG-CD 3.48Å; F136-P150 HydrophobicContact CG-CG 3.39Å; P150-Y162 CarbonylContact C-O 3.54Å; P150-Y162 WeakPolarHBondContact CA-O 3.45Å
151	T	93.7	Very high	92.6	Very high	47 Å²	47	63 Å²	63	29%	0.288	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.6	-175.4	-59.3	0	0	0	0	107.7	P149 T161 Y162	P149-T151 PolarHBondContact O-N 3.36Å; P149-T151 PolarHBondContact O-OG1 3.24Å; T151-T161 CarbonylContact O-C 3.58Å; T151-T161 WeakPolarHBondContact O-CA 3.48Å; T151-Y162 HydrophobicContact CG2-CE1 3.9Å; T151-Y162 PolarHBondContact N-O 3.31Å; T151-Y162 WeakPolarHBondContact O-CD1 3.49Å; T151-Y162 PolarHBondContact O-N 3.41Å
152	T	94.1	Very high	92.8	Very high	77 Å²	77	57.2 Å²	57.2	47%	0.472	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.7	177.9	-54.7	0	0	0	0	109.7	L159 V160 T161	T152-L159 HydrophobicContact CG2-CB 4.31Å; T152-L159 HydrophobicContact CG2-CD2 3.65Å; T152-V160 WeakPolarHBondContact CA-O 3.47Å; T152-T161 PolarHBondContact OG1-OG1 3.22Å
153	V	91.4	Very high	93	Very high	27 Å²	27	55.8 Å²	55.8	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.4	173.9	-67.9	0	0	0	0	109	L110 Y111 V160 Y162 P188	L110-V153 HydrophobicContact CD1-CG1 4.19Å; L110-V153 HydrophobicContact CD2-CG1 4.39Å; L110-V153 HydrophobicContact CD2-CG2 4.3Å; Y111-V153 HydrophobicContact CE1-CG2 4.35Å; Y111-V153 WeakPolarHBondContact OH-CG2 3.46Å; V153-V160 HydrophobicContact CG2-CB 4.15Å; V153-V160 WeakPolarHBondContact CG2-O 3.24Å; V153-V160 PolarHBondContact N-O 3.11Å; V153-V160 PolarHBondContact O-N 3.11Å; V153-Y162 HydrophobicContact CG1-CE1 3.97Å; V153-Y162 HydrophobicContact CG2-CD1 4.39Å; V153-Y162 HydrophobicContact CG2-CE1 4.38Å; V153-P188 HydrophobicContact CB-CB 4.39Å; V153-P188 HydrophobicContact CG2-CB 4Å; V153-P188 HydrophobicContact CG2-CG 4.01Å
154	E	91.6	Very high	93.3	Very high	141 Å²	141	52.9 Å²	52.9	66%	0.659	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.1	-170.9	-168.6	173.1	-175.6	0	0	110.5	G158 L159	E154-G158 WeakPolarHBondContact CA-O 3.32Å; E154-L159 HydrophobicContact CB-CD2 3.74Å; E154-L159 HydrophobicContact CG-CD2 3.7Å; E154-L159 HydrophobicContact CG-CG 4.22Å
155	D	91.8	Very high	93.4	Very high	42 Å²	42	52.2 Å²	52.2	23%	0.225	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	-171.3	160.8	74.2	22.1	0	0	0	110.1	N157 G158 Y182 P188	D155-N157 PolarHBondContact O-N 3.03Å; D155-N157 WeakPolarHBondContact OD1-CA 3.49Å; D155-N157 VanDerWaalsContact OD1-CB 3.27Å; D155-N157 WeakPolarHBondContact OD1-CB 3.36Å; D155-N157 PolarHBondContact OD1-N 2.61Å; D155-N157 PolarHBondContact OD1-ND2 3.44Å; D155-G158 PolarHBondContact N-O 3.2Å; D155-G158 VanDerWaalsContact N-O 3.13Å; D155-G158 PolarHBondContact O-N 3.02Å; D155-Y182 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y182 PolarHBondContact OD1-OH 3.44Å; D155-Y182 PolarHBondContact OD2-OH 2.87Å; D155-P188 HydrophobicContact CB-CB 4.32Å; D155-P188 VanDerWaalsContact OD2-CA 3.27Å; D155-P188 WeakPolarHBondContact OD2-CA 3.42Å
156	E	92.4	Very high	93.6	Very high	198 Å²	198	51.7 Å²	51.7	93%	0.925	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.3	-179.6	-58.9	-180	178.9	0	0	114.4
157	N	92.9	Very high	93.6	Very high	84 Å²	84	50 Å²	50	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.8	-179.8	-50.3	-77.6	0	0	0	113.5	D155 Y182 G183	D155-N157 PolarHBondContact O-N 3.03Å; D155-N157 WeakPolarHBondContact OD1-CA 3.49Å; D155-N157 VanDerWaalsContact OD1-CB 3.27Å; D155-N157 WeakPolarHBondContact OD1-CB 3.36Å; D155-N157 PolarHBondContact OD1-N 2.61Å; D155-N157 PolarHBondContact OD1-ND2 3.44Å; N157-Y182 HydrophobicContact CB-CD2 4.39Å; N157-Y182 HydrophobicContact CB-CE2 3.81Å; N157-G183 PolarHBondContact O-N 2.77Å
158	G	94.1	Very high	93.8	Very high	19 Å²	19	50.2 Å²	50.2	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-152.8	172.1	0	0	0	0	0	114.6	E154 D155	E154-G158 WeakPolarHBondContact CA-O 3.32Å; D155-G158 PolarHBondContact N-O 3.2Å; D155-G158 VanDerWaalsContact N-O 3.13Å; D155-G158 PolarHBondContact O-N 3.02Å
159	L	94.1	Very high	93.9	Very high	59 Å²	59	48.9 Å²	48.9	31%	0.309	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	-166.2	-67.1	156.8	0	0	0	112.1	T152 E154 K181	T152-L159 HydrophobicContact CG2-CB 4.31Å; T152-L159 HydrophobicContact CG2-CD2 3.65Å; E154-L159 HydrophobicContact CB-CD2 3.74Å; E154-L159 HydrophobicContact CG-CD2 3.7Å; E154-L159 HydrophobicContact CG-CG 4.22Å; L159-K181 HydrophobicContact CB-CB 4.28Å; L159-K181 PolarHBondContact N-O 3.05Å; L159-K181 CarbonylContact O-C 3.53Å
160	V	95.4	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.9	167.4	173	0	0	0	0	109.4	T152 V153 V177 D178 K179 Y182 L187 P188	T152-V160 WeakPolarHBondContact CA-O 3.47Å; V153-V160 HydrophobicContact CG2-CB 4.15Å; V153-V160 WeakPolarHBondContact CG2-O 3.24Å; V153-V160 PolarHBondContact N-O 3.11Å; V153-V160 PolarHBondContact O-N 3.11Å; V160-V177 HydrophobicContact CG1-CG2 3.34Å; V160-D178 WeakPolarHBondContact CA-O 3.45Å; V160-K179 HydrophobicContact CG1-CG 4.46Å; V160-K179 HydrophobicContact CG2-CG 4.19Å; V160-Y182 HydrophobicContact CG2-CD1 3.86Å; V160-Y182 HydrophobicContact CG2-CD2 3.72Å; V160-Y182 HydrophobicContact CG2-CE1 4.48Å; V160-Y182 HydrophobicContact CG2-CE2 4.37Å; V160-Y182 HydrophobicContact CG2-CG 3.43Å; V160-Y182 VanDerWaalsContact CG2-CG 3.43Å; V160-L187 HydrophobicContact CG1-CD2 4.26Å; V160-L187 HydrophobicContact CG2-CD2 4.46Å; V160-P188 HydrophobicContact CB-CG 3.87Å; V160-P188 HydrophobicContact CG2-CG 3.69Å
161	T	95.6	Very high	93.6	Very high	22 Å²	22	46.8 Å²	46.8	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136	171	-56.9	0	0	0	0	109.2	V132 T151 T152 D178	V132-T161 HydrophobicContact CB-CG2 4Å; V132-T161 HydrophobicContact CG1-CG2 4.01Å; V132-T161 WeakPolarHBondContact CG2-O 3.46Å; T151-T161 CarbonylContact O-C 3.58Å; T151-T161 WeakPolarHBondContact O-CA 3.48Å; T152-T161 PolarHBondContact OG1-OG1 3.22Å; T161-D178 PolarHBondContact N-O 3.08Å; T161-D178 VanDerWaalsContact N-O 3.08Å; T161-D178 PolarHBondContact O-N 3.12Å
162	Y	95.9	Very high	93.6	Very high	24 Å²	24	44.7 Å²	44.7	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.1	178.9	75.3	-81.9	0	0	0	112.4	L110 Y111 V148 P150 T151 V153 V164 T175 L176	L110-Y162 HydrophobicContact CD2-CE1 4.38Å; Y111-Y162 AromaticContact CD1-CD1 3.69Å; Y111-Y162 HydrophobicContact CD1-CD1 3.69Å; Y111-Y162 AromaticContact CD1-CD2 3.64Å; Y111-Y162 HydrophobicContact CD1-CD2 3.64Å; Y111-Y162 AromaticContact CD1-CE1 3.96Å; Y111-Y162 HydrophobicContact CD1-CE1 3.96Å; Y111-Y162 AromaticContact CD1-CE2 3.92Å; Y111-Y162 HydrophobicContact CD1-CE2 3.92Å; Y111-Y162 AromaticContact CD1-CG 3.5Å; Y111-Y162 HydrophobicContact CD1-CG 3.5Å; Y111-Y162 AromaticContact CE1-CD1 3.44Å; Y111-Y162 HydrophobicContact CE1-CD1 3.44Å; Y111-Y162 VanDerWaalsContact CE1-CD1 3.44Å; Y111-Y162 HydrophobicContact CE1-CD2 4.27Å; Y111-Y162 AromaticContact CE1-CE1 3.84Å; Y111-Y162 HydrophobicContact CE1-CE1 3.84Å; Y111-Y162 AromaticContact CE1-CG 3.67Å; Y111-Y162 HydrophobicContact CE1-CG 3.67Å; V148-Y162 HydrophobicContact CB-CE2 4.49Å; V148-Y162 HydrophobicContact CG1-CE2 3.9Å; P150-Y162 CarbonylContact C-O 3.54Å; P150-Y162 WeakPolarHBondContact CA-O 3.45Å; T151-Y162 HydrophobicContact CG2-CE1 3.9Å; T151-Y162 PolarHBondContact N-O 3.31Å; T151-Y162 WeakPolarHBondContact O-CD1 3.49Å; T151-Y162 PolarHBondContact O-N 3.41Å; V153-Y162 HydrophobicContact CG1-CE1 3.97Å; V153-Y162 HydrophobicContact CG2-CD1 4.39Å; V153-Y162 HydrophobicContact CG2-CE1 4.38Å; Y162-V164 HydrophobicContact CD2-CG2 4.21Å; Y162-V164 HydrophobicContact CE2-CG2 4.29Å; Y162-T175 HydrophobicContact CD2-CG2 4.39Å; Y162-L176 CarbonylContact C-O 3.5Å; Y162-L176 WeakPolarHBondContact CA-O 3.42Å; Y162-L176 WeakPolarHBondContact CB-O 3.27Å
163	S	95.3	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.1	168.2	64.9	0	0	0	0	109.2	T175 L176	S163-T175 CarbonylContact O-C 3.57Å; S163-T175 WeakPolarHBondContact O-CA 3.49Å; S163-L176 PolarHBondContact N-O 3.19Å; S163-L176 PolarHBondContact O-N 3.07Å
164	V	95.2	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.3	-179.5	-174.2	0	0	0	0	109.7	V113 F146 L147 V148 Y162 C173 T175	V113-V164 HydrophobicContact CG2-CB 4.2Å; V113-V164 HydrophobicContact CG2-CG1 3.91Å; V113-V164 HydrophobicContact CG2-CG2 4.48Å; F146-V164 CarbonylContact C-O 3.56Å; F146-V164 WeakPolarHBondContact CA-O 3.46Å; L147-V164 HydrophobicContact CB-CB 4.31Å; L147-V164 HydrophobicContact CB-CG1 4.17Å; L147-V164 HydrophobicContact CD1-CG1 4.13Å; L147-V164 PolarHBondContact N-O 3.42Å; V148-V164 HydrophobicContact CB-CB 3.9Å; V148-V164 HydrophobicContact CB-CG2 3.85Å; V148-V164 HydrophobicContact CG2-CB 3.9Å; V148-V164 HydrophobicContact CG2-CG2 3.76Å; V148-V164 PolarHBondContact N-O 3.11Å; V148-V164 PolarHBondContact O-N 3.14Å; Y162-V164 HydrophobicContact CD2-CG2 4.21Å; Y162-V164 HydrophobicContact CE2-CG2 4.29Å; V164-C173 HydrophobicContact CG1-CB 3.81Å; V164-T175 HydrophobicContact CG2-CG2 4.47Å
165	V	93.8	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.3	177.9	-172.5	0	0	0	0	108.8	L139 C144 F146 S167 C173 H174 L176 W229	L139-V165 HydrophobicContact CD1-CG2 3.99Å; C144-V165 HydrophobicContact CB-CG1 4.31Å; F146-V165 HydrophobicContact CD1-CG2 4Å; F146-V165 HydrophobicContact CE1-CG2 3.43Å; F146-V165 VanDerWaalsContact CE1-CG2 3.43Å; F146-V165 HydrophobicContact CZ-CG2 3.89Å; V165-S167 PolarHBondContact O-N 2.95Å; V165-C173 WeakPolarHBondContact O-CA 3.45Å; V165-C173 WeakPolarHBondContact O-CB 3.23Å; V165-H174 HydrophobicContact CB-CB 4.45Å; V165-H174 PolarHBondContact N-O 3.2Å; V165-H174 PolarHBondContact O-N 3.25Å; V165-L176 HydrophobicContact CG2-CD1 4.18Å; V165-L176 HydrophobicContact CG2-CG 4.37Å; V165-W229 HydrophobicContact CG1-CH2 4.34Å; V165-W229 HydrophobicContact CG1-CZ2 4.2Å
166	K	93.6	Very high	94.2	Very high	108 Å²	108	31.1 Å²	31.1	47%	0.47	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.8	170.5	-172.1	174.8	179.9	175.3	0	109.3	N145 L147 W229	N145-K166 HydrophobicContact CB-CB 4.35Å; N145-K166 PolarHBondContact O-N 2.85Å; L147-K166 HydrophobicContact CD1-CB 4.23Å; L147-K166 HydrophobicContact CD2-CB 4.12Å; L147-K166 HydrophobicContact CD2-CD 4.36Å; L147-K166 HydrophobicContact CG-CB 4Å; K166-W229 WeakPolarHBondContact O-CZ2 3.36Å
167	S	93.9	Very high	94.4	Very high	8 Å²	8	21.7 Å²	21.7	6%	0.056	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-70.8	158.4	174.1	-169.6	0	0	0	0	110.8	V165 V169 V172 H174 Y230	V165-S167 PolarHBondContact O-N 2.95Å; S167-V169 PolarHBondContact OG-N 3.27Å; S167-V169 VanDerWaalsContact OG-N 3.13Å; S167-V172 WeakPolarHBondContact CB-O 3.37Å; S167-V172 PolarHBondContact N-O 3.33Å; S167-H174 PolarHBondContact OG-NE2 2.9Å; S167-Y230 PolarHBondContact OG-OH 3.12Å
168	I	94.3	Very high	94.5	Very high	69 Å²	69	18.7 Å²	18.7	35%	0.354	11%	0.108	S	C	.	.	S	Bend	trans	-70.1	-21.2	164.5	-166.2	166	0	0	0	111.7	G170 Q225 V226 W229	I168-G170 PolarHBondContact O-N 3.39Å; I168-Q225 HydrophobicContact CD1-CB 4.07Å; I168-V226 HydrophobicContact CG2-CB 4.4Å; I168-V226 HydrophobicContact CG2-CG1 4.29Å; I168-V226 HydrophobicContact CG2-CG2 4.22Å; I168-W229 HydrophobicContact CB-CB 4.32Å; I168-W229 HydrophobicContact CB-CD2 3.99Å; I168-W229 HydrophobicContact CB-CG 3.84Å; I168-W229 HydrophobicContact CD1-CB 4Å; I168-W229 HydrophobicContact CD1-CG 4.13Å; I168-W229 HydrophobicContact CG2-CB 3.86Å; I168-W229 HydrophobicContact CG2-CD2 3.76Å; I168-W229 HydrophobicContact CG2-CE3 4Å; I168-W229 HydrophobicContact CG2-CG 3.72Å
169	V	94.1	Very high	94.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	11%	0.105	C	C	.	.	S	Bend	trans	-87.9	93.6	-179.8	-173.5	0	0	0	0	110.5	S167 N171 V172 Y216 V226 A313	S167-V169 PolarHBondContact OG-N 3.27Å; S167-V169 VanDerWaalsContact OG-N 3.13Å; V169-N171 PolarHBondContact O-N 3.24Å; V169-V172 HydrophobicContact CG1-CG2 4.42Å; V169-V172 WeakPolarHBondContact O-CB 3.23Å; V169-V172 PolarHBondContact O-N 3.49Å; V169-Y216 HydrophobicContact CB-CD1 4.33Å; V169-Y216 HydrophobicContact CG1-CD1 3.75Å; V169-Y216 HydrophobicContact CG1-CE1 4.43Å; V169-Y216 HydrophobicContact CG1-CG 4.12Å; V169-Y216 HydrophobicContact CG2-CD1 4.39Å; V169-Y216 HydrophobicContact CG2-CG 4.3Å; V169-V226 HydrophobicContact CG2-CG1 3.72Å; V169-V226 HydrophobicContact CG2-CG2 4.08Å; V169-A313 HydrophobicContact CG1-CB 3.91Å
170	G	91.8	Very high	94.5	Very high	40 Å²	40	20.1 Å²	20.1	41%	0.412	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	-114.9	162.9	0	0	0	0	0	115.5	I168 V172 A313	I168-G170 PolarHBondContact O-N 3.39Å; G170-V172 VanDerWaalsContact C-N 3.35Å; G170-A313 WeakPolarHBondContact CA-O 3.44Å
171	N	91.5	Very high	94.4	Very high	16 Å²	16	27.3 Å²	27.3	9%	0.086	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.6	-175.5	77.8	-52.8	0	0	0	114.1	H117 S121 V122 V169 H310 A313 G314	H117-N171 WeakPolarHBondContact CE1-CB 3.4Å; S121-N171 PolarHBondContact OG-ND2 2.95Å; V122-N171 PolarHBondContact O-ND2 3.14Å; V169-N171 PolarHBondContact O-N 3.24Å; N171-H310 PolarHBondContact OD1-CE1 2.69Å; N171-A313 PolarHBondContact N-O 2.85Å; N171-A313 PolarHBondContact OD1-O 3.28Å; N171-G314 WeakPolarHBondContact OD1-CA 3.46Å
172	V	93.8	Very high	94.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	14%	0.142	C	C	.	.			trans	-76.7	139.9	-170	-176	0	0	0	0	110.8	S123 V125 S167 V169 G170 Y216 V315	S123-V172 CarbonylContact O-C 3.6Å; S123-V172 WeakPolarHBondContact O-CA 3.44Å; V125-V172 HydrophobicContact CG2-CG1 4.33Å; S167-V172 WeakPolarHBondContact CB-O 3.37Å; S167-V172 PolarHBondContact N-O 3.33Å; V169-V172 HydrophobicContact CG1-CG2 4.42Å; V169-V172 WeakPolarHBondContact O-CB 3.23Å; V169-V172 PolarHBondContact O-N 3.49Å; G170-V172 VanDerWaalsContact C-N 3.35Å; V172-Y216 HydrophobicContact CG1-CE1 4.39Å; V172-Y216 HydrophobicContact CG2-CE1 4.18Å; V172-V315 HydrophobicContact CG2-CG2 3.98Å
173	C	94.2	Very high	94.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	165.6	164.7	68.7	0	0	0	0	111.3	S123 N124 V125 L147 V164 V165	S123-C173 PolarHBondContact O-N 2.77Å; S123-C173 PolarHBondContact O-SG 3.29Å; N124-C173 WeakPolarHBondContact CA-O 3.5Å; N124-C173 PolarHBondContact OD1-O 3.33Å; N124-C173 VanDerWaalsContact OD1-O 3.11Å; N124-C173 PolarHBondContact OD1-SG 3.16Å; V125-C173 PolarHBondContact N-O 3.33Å; L147-C173 HydrophobicContact CD1-CB 4.01Å; V164-C173 HydrophobicContact CG1-CB 3.81Å; V165-C173 WeakPolarHBondContact O-CA 3.45Å; V165-C173 WeakPolarHBondContact O-CB 3.23Å
174	H	95.6	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.2	174.3	-65.7	-59.9	0	0	0	109.7	V125 F127 V165 S167 W229 Y230	V125-H174 WeakPolarHBondContact O-CA 3.46Å; V125-H174 PolarHBondContact O-ND1 3.09Å; F127-H174 HydrophobicContact CD2-CB 4.34Å; F127-H174 HydrophobicContact CE2-CB 4.27Å; F127-H174 AromaticContact CE2-CE1 3.91Å; F127-H174 AromaticContact CE2-CG 3.85Å; F127-H174 AromaticContact CE2-ND1 3.34Å; F127-H174 VanDerWaalsContact CE2-ND1 3.34Å; F127-H174 WeakPolarHBondContact CE2-ND1 3.46Å; V165-H174 HydrophobicContact CB-CB 4.45Å; V165-H174 PolarHBondContact N-O 3.2Å; V165-H174 PolarHBondContact O-N 3.25Å; S167-H174 PolarHBondContact OG-NE2 2.9Å; H174-W229 AromaticContact CD2-CH2 3.83Å; H174-W229 AromaticContact CD2-CZ3 3.94Å; H174-Y230 PolarHBondContact CE1-OH 2.85Å; H174-Y230 VanDerWaalsContact CE1-OH 3.32Å; H174-Y230 AromaticContact NE2-CE1 3.53Å; H174-Y230 AromaticContact NE2-CZ 3.48Å; H174-Y230 PolarHBondContact NE2-OH 3.32Å
175	T	95.8	Very high	93.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.8	167	-60	0	0	0	0	109.4	Y111 N124 C126 F127 Y162 S163 V164	Y111-T175 PolarHBondContact O-OG1 3.42Å; N124-T175 PolarHBondContact ND2-OG1 3.16Å; N124-T175 PolarHBondContact OD1-N 3.36Å; N124-T175 PolarHBondContact OD1-OG1 3.46Å; C126-T175 CarbonylContact C-O 3.53Å; C126-T175 WeakPolarHBondContact CA-O 2.8Å; C126-T175 PolarHBondContact SG-O 3.15Å; F127-T175 PolarHBondContact N-O 3.44Å; Y162-T175 HydrophobicContact CD2-CG2 4.39Å; S163-T175 CarbonylContact O-C 3.57Å; S163-T175 WeakPolarHBondContact O-CA 3.49Å; V164-T175 HydrophobicContact CG2-CG2 4.47Å
176	L	96.1	Very high	93.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.3	167.9	-54.7	-178.4	0	0	0	107.6	L16 F127 V129 V132 L139 Y162 S163 V165 F234	L16-L176 HydrophobicContact CD2-CD2 4.14Å; F127-L176 HydrophobicContact CB-CD2 4.17Å; F127-L176 HydrophobicContact CD2-CD2 4.26Å; F127-L176 WeakPolarHBondContact O-CA 3.49Å; V129-L176 HydrophobicContact CG1-CB 4.3Å; V129-L176 HydrophobicContact CG1-CD2 4.14Å; V129-L176 HydrophobicContact CG2-CB 4.17Å; V132-L176 HydrophobicContact CG2-CB 4.24Å; V132-L176 WeakPolarHBondContact CG2-O 3.42Å; L139-L176 HydrophobicContact CD1-CD1 3.69Å; Y162-L176 CarbonylContact C-O 3.5Å; Y162-L176 WeakPolarHBondContact CA-O 3.42Å; Y162-L176 WeakPolarHBondContact CB-O 3.27Å; S163-L176 PolarHBondContact N-O 3.19Å; S163-L176 PolarHBondContact O-N 3.07Å; V165-L176 HydrophobicContact CG2-CD1 4.18Å; V165-L176 HydrophobicContact CG2-CG 4.37Å; L176-F234 HydrophobicContact CD1-CE1 4.47Å; L176-F234 HydrophobicContact CD2-CE1 4Å
177	V	95.6	Very high	93.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.7	-177.3	71.1	0	0	0	0	111.3	H20 F127 E128 V129 V160 K179 L187	H20-V177 HydrophobicContact CB-CG1 4.44Å; F127-V177 PolarHBondContact O-N 3.24Å; E128-V177 CarbonylContact C-O 3.58Å; E128-V177 VanDerWaalsContact CA-O 3.31Å; E128-V177 WeakPolarHBondContact CA-O 3.24Å; E128-V177 HydrophobicContact CB-CG1 4.34Å; E128-V177 HydrophobicContact CG-CG1 4.48Å; V129-V177 PolarHBondContact N-O 3.44Å; V160-V177 HydrophobicContact CG1-CG2 3.34Å; V177-K179 HydrophobicContact CG1-CG 4.48Å; V177-K179 HydrophobicContact CG2-CG 3.93Å; V177-L187 HydrophobicContact CG2-CD2 4.04Å
178	D	95.5	Very high	93.4	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.6	170.6	171	7.6	0	0	0	108.6	V132 V160 T161 T180	V132-D178 HydrophobicContact CB-CB 4.29Å; V132-D178 HydrophobicContact CG2-CB 3.72Å; V160-D178 WeakPolarHBondContact CA-O 3.45Å; T161-D178 PolarHBondContact N-O 3.08Å; T161-D178 VanDerWaalsContact N-O 3.08Å; T161-D178 PolarHBondContact O-N 3.12Å; D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 VanDerWaalsContact OD1-CG2 3.23Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.46Å; D178-T180 PolarHBondContact OD1-N 3.46Å; D178-T180 PolarHBondContact OD1-OG1 3.39Å
179	K	94	Very high	93.1	Very high	30 Å²	30	28 Å²	28	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	12	179.4	-60.9	-178.9	66.7	-176.1	0	112.7	H20 V160 V177 K181 Y182 F186 L187	H20-K179 WeakPolarHBondContact NE2-CD 3.28Å; H20-K179 PolarHBondContact NE2-NZ 3.07Å; V160-K179 HydrophobicContact CG1-CG 4.46Å; V160-K179 HydrophobicContact CG2-CG 4.19Å; V177-K179 HydrophobicContact CG1-CG 4.48Å; V177-K179 HydrophobicContact CG2-CG 3.93Å; K179-K181 PolarHBondContact O-N 2.89Å; K179-Y182 PolarHBondContact O-N 2.87Å; K179-F186 WeakPolarHBondContact CE-O 3.46Å; K179-F186 PolarHBondContact NZ-O 3.37Å; K179-L187 HydrophobicContact CD-CD2 3.94Å; K179-L187 HydrophobicContact CG-CD2 4.31Å
180	T	93.1	Very high	93	Very high	78 Å²	78	28.7 Å²	28.7	48%	0.479	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-22.3	-174.4	57.2	0	0	0	0	113.5	D178	D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 VanDerWaalsContact OD1-CG2 3.23Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.46Å; D178-T180 PolarHBondContact OD1-N 3.46Å; D178-T180 PolarHBondContact OD1-OG1 3.39Å
181	K	94.3	Very high	93	Very high	151 Å²	151	31.5 Å²	31.5	66%	0.657	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	20.7	178.1	-59.9	179	-176.1	172.5	0	113.4	L159 K179	L159-K181 HydrophobicContact CB-CB 4.28Å; L159-K181 PolarHBondContact N-O 3.05Å; L159-K181 CarbonylContact O-C 3.53Å; K179-K181 PolarHBondContact O-N 2.89Å
182	Y	94.2	Very high	93	Very high	26 Å²	26	33.4 Å²	33.4	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.3	-177.3	-169.2	-110.1	0	0	0	111.4	D155 N157 V160 K179 G184 P188	D155-Y182 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y182 PolarHBondContact OD1-OH 3.44Å; D155-Y182 PolarHBondContact OD2-OH 2.87Å; N157-Y182 HydrophobicContact CB-CD2 4.39Å; N157-Y182 HydrophobicContact CB-CE2 3.81Å; V160-Y182 HydrophobicContact CG2-CD1 3.86Å; V160-Y182 HydrophobicContact CG2-CD2 3.72Å; V160-Y182 HydrophobicContact CG2-CE1 4.48Å; V160-Y182 HydrophobicContact CG2-CE2 4.37Å; V160-Y182 HydrophobicContact CG2-CG 3.43Å; V160-Y182 VanDerWaalsContact CG2-CG 3.43Å; K179-Y182 PolarHBondContact O-N 2.87Å; Y182-G184 WeakPolarHBondContact CE1-O 3.26Å; Y182-P188 HydrophobicContact CD2-CG 4Å; Y182-P188 HydrophobicContact CE2-CG 3.49Å; Y182-P188 VanDerWaalsContact CE2-CG 3.49Å
183	G	91.1	Very high	92.6	Very high	70 Å²	70	35 Å²	35	72%	0.722	22%	0.22	S	C	*	.			trans	-96.5	-3.4	179.9	0	0	0	0	0	114.9	N157	N157-G183 PolarHBondContact O-N 2.77Å
184	G	89.3	Confident	91	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	27%	0.266	C	S	.	.	S	Bend	trans	-78.6	158.9	-175.9	0	0	0	0	0	113.7	Y182 F186	Y182-G184 WeakPolarHBondContact CE1-O 3.26Å; G184-F186 PolarHBondContact O-N 2.64Å
185	T	90.4	Very high	89.4	Confident	82 Å²	82	50.7 Å²	50.7	50%	0.503	29%	0.292	S	S	.	.	S	Bend	trans	-62.4	-37.1	-174	-53.7	0	0	0	0	113.9	I192	T185-I192 HydrophobicContact CG2-CD1 4.31Å
186	F	92.8	Very high	87.4	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.026	32%	0.316	C	S	.	.	S	Bend	trans	-125.6	-93.4	-178	-169.4	-127.3	0	0	0	113	H20 F45 A46 A57 V64 V66 K179 G184 F190 I192	H20-F186 AromaticContact CE1-CD2 3.9Å; H20-F186 AromaticContact CE1-CE2 3.52Å; F45-F186 HydrophobicContact CE2-CB 3.85Å; F45-F186 AromaticContact CE2-CD2 3.98Å; F45-F186 HydrophobicContact CE2-CD2 3.98Å; F45-F186 AromaticContact CE2-CG 3.95Å; F45-F186 HydrophobicContact CE2-CG 3.95Å; F45-F186 HydrophobicContact CZ-CB 4.27Å; F45-F186 HydrophobicContact CZ-CD1 4.43Å; F45-F186 AromaticContact CZ-CD2 3.57Å; F45-F186 HydrophobicContact CZ-CD2 3.57Å; F45-F186 AromaticContact CZ-CE2 3.97Å; F45-F186 HydrophobicContact CZ-CE2 3.97Å; F45-F186 AromaticContact CZ-CG 3.84Å; F45-F186 HydrophobicContact CZ-CG 3.84Å; A46-F186 HydrophobicContact CB-CD1 4.31Å; A57-F186 HydrophobicContact CB-CD1 4.31Å; A57-F186 HydrophobicContact CB-CE1 3.86Å; A57-F186 HydrophobicContact CB-CZ 4.14Å; V64-F186 HydrophobicContact CG1-CE2 3.84Å; V64-F186 HydrophobicContact CG1-CZ 4.17Å; V66-F186 HydrophobicContact CG2-CE1 4.2Å; V66-F186 HydrophobicContact CG2-CZ 3.68Å; K179-F186 WeakPolarHBondContact CE-O 3.46Å; K179-F186 PolarHBondContact NZ-O 3.37Å; G184-F186 PolarHBondContact O-N 2.64Å; F186-F190 HydrophobicContact CD1-CB 4.09Å; F186-F190 AromaticContact CD1-CD1 3.79Å; F186-F190 HydrophobicContact CD1-CD1 3.79Å; F186-F190 AromaticContact CD1-CD2 3.8Å; F186-F190 HydrophobicContact CD1-CD2 3.8Å; F186-F190 HydrophobicContact CD1-CE1 4.14Å; F186-F190 HydrophobicContact CD1-CE2 4.14Å; F186-F190 AromaticContact CD1-CG 3.62Å; F186-F190 HydrophobicContact CD1-CG 3.62Å; F186-F190 HydrophobicContact CD1-CZ 4.31Å; F186-F190 AromaticContact CE1-CD1 3.95Å; F186-F190 HydrophobicContact CE1-CD1 3.95Å; F186-F190 AromaticContact CE1-CD2 4Å; F186-F190 HydrophobicContact CE1-CD2 4Å; F186-F190 AromaticContact CE1-CE1 3.79Å; F186-F190 HydrophobicContact CE1-CE1 3.79Å; F186-F190 AromaticContact CE1-CE2 3.84Å; F186-F190 HydrophobicContact CE1-CE2 3.84Å; F186-F190 HydrophobicContact CE1-CG 4.06Å; F186-F190 AromaticContact CE1-CZ 3.74Å; F186-F190 HydrophobicContact CE1-CZ 3.74Å; F186-I192 HydrophobicContact CB-CD1 4.05Å
187	L	93	Very high	85.5	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	32%	0.322	C	S	.	.			trans	-149.2	154.1	-176.5	-69.5	174.2	0	0	0	109.6	Y111 V160 V177 K179 G189 F190	Y111-L187 HydrophobicContact CD2-CD1 3.95Å; Y111-L187 HydrophobicContact CE2-CB 3.82Å; Y111-L187 HydrophobicContact CE2-CD1 3.51Å; Y111-L187 HydrophobicContact CE2-CG 4.17Å; V160-L187 HydrophobicContact CG1-CD2 4.26Å; V160-L187 HydrophobicContact CG2-CD2 4.46Å; V177-L187 HydrophobicContact CG2-CD2 4.04Å; K179-L187 HydrophobicContact CD-CD2 3.94Å; K179-L187 HydrophobicContact CG-CD2 4.31Å; L187-G189 PolarHBondContact O-N 3.38Å; L187-F190 HydrophobicContact CB-CD2 4.13Å; L187-F190 HydrophobicContact CB-CE2 4.48Å; L187-F190 WeakPolarHBondContact O-CB 3.36Å; L187-F190 PolarHBondContact O-N 3.35Å
188	P	91.4	Very high	83.2	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.019	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	134.6	177.7	-32.5	35.9	0	0	0	115.2	Y111 V153 D155 V160 Y182 F190	Y111-P188 WeakPolarHBondContact OH-CD 3.36Å; V153-P188 HydrophobicContact CB-CB 4.39Å; V153-P188 HydrophobicContact CG2-CB 4Å; V153-P188 HydrophobicContact CG2-CG 4.01Å; D155-P188 HydrophobicContact CB-CB 4.32Å; D155-P188 VanDerWaalsContact OD2-CA 3.27Å; D155-P188 WeakPolarHBondContact OD2-CA 3.42Å; V160-P188 HydrophobicContact CB-CG 3.87Å; V160-P188 HydrophobicContact CG2-CG 3.69Å; Y182-P188 HydrophobicContact CD2-CG 4Å; Y182-P188 HydrophobicContact CE2-CG 3.49Å; Y182-P188 VanDerWaalsContact CE2-CG 3.49Å; P188-F190 VanDerWaalsContact C-N 3.33Å
189	G	88.8	Confident	80.8	Confident	45 Å²	45	66.7 Å²	66.7	46%	0.464	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	3	178.4	0	0	0	0	0	115.2	R48 L187	R48-G189 WeakPolarHBondContact CB-O 3.44Å; R48-G189 WeakPolarHBondContact CD-O 3.35Å; R48-G189 WeakPolarHBondContact CG-O 3.32Å; L187-G189 PolarHBondContact O-N 3.38Å
190	F	91.5	Very high	78.8	Confident	15 Å²	15	68.7 Å²	68.7	7%	0.066	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-90.9	127.3	168.5	-80.8	-99.7	0	0	0	110.9	A46 T47 R48 Q55 A57 V66 Y111 F186 L187 P188	A46-F190 HydrophobicContact CB-CB 4.07Å; A46-F190 HydrophobicContact CB-CD1 3.83Å; A46-F190 HydrophobicContact CB-CG 4.37Å; T47-F190 CarbonylContact O-C 3.57Å; T47-F190 WeakPolarHBondContact O-CA 3.35Å; R48-F190 HydrophobicContact CB-CD1 3.68Å; R48-F190 HydrophobicContact CB-CD2 3.98Å; R48-F190 HydrophobicContact CB-CE1 3.73Å; R48-F190 HydrophobicContact CB-CE2 4.03Å; R48-F190 HydrophobicContact CB-CG 3.8Å; R48-F190 HydrophobicContact CB-CZ 3.91Å; Q55-F190 HydrophobicContact CB-CE1 4.05Å; Q55-F190 HydrophobicContact CB-CZ 3.9Å; A57-F190 HydrophobicContact CB-CE1 4.25Å; V66-F190 HydrophobicContact CG1-CZ 4.41Å; Y111-F190 HydrophobicContact CE2-CE2 4.43Å; F186-F190 HydrophobicContact CD1-CB 4.09Å; F186-F190 AromaticContact CD1-CD1 3.79Å; F186-F190 HydrophobicContact CD1-CD1 3.79Å; F186-F190 AromaticContact CD1-CD2 3.8Å; F186-F190 HydrophobicContact CD1-CD2 3.8Å; F186-F190 HydrophobicContact CD1-CE1 4.14Å; F186-F190 HydrophobicContact CD1-CE2 4.14Å; F186-F190 AromaticContact CD1-CG 3.62Å; F186-F190 HydrophobicContact CD1-CG 3.62Å; F186-F190 HydrophobicContact CD1-CZ 4.31Å; F186-F190 AromaticContact CE1-CD1 3.95Å; F186-F190 HydrophobicContact CE1-CD1 3.95Å; F186-F190 AromaticContact CE1-CD2 4Å; F186-F190 HydrophobicContact CE1-CD2 4Å; F186-F190 AromaticContact CE1-CE1 3.79Å; F186-F190 HydrophobicContact CE1-CE1 3.79Å; F186-F190 AromaticContact CE1-CE2 3.84Å; F186-F190 HydrophobicContact CE1-CE2 3.84Å; F186-F190 HydrophobicContact CE1-CG 4.06Å; F186-F190 AromaticContact CE1-CZ 3.74Å; F186-F190 HydrophobicContact CE1-CZ 3.74Å; L187-F190 HydrophobicContact CB-CD2 4.13Å; L187-F190 HydrophobicContact CB-CE2 4.48Å; L187-F190 WeakPolarHBondContact O-CB 3.36Å; L187-F190 PolarHBondContact O-N 3.35Å; P188-F190 VanDerWaalsContact C-N 3.33Å
191	T	91.4	Very high	76.9	Confident	99 Å²	99	73.7 Å²	73.7	61%	0.607	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	120.2	168.1	-53.3	0	0	0	0	109	A46 T47	A46-T191 CarbonylContact C-O 3.56Å; A46-T191 VanDerWaalsContact CA-O 3.3Å; A46-T191 WeakPolarHBondContact CA-O 3.42Å; T47-T191 PolarHBondContact N-O 3.23Å; T47-T191 PolarHBondContact O-N 3.3Å
192	I	91.8	Very high	75.1	Confident	56 Å²	56	71.1 Å²	71.1	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.3	177.3	-53.6	-57	0	0	0	109.2	F45 A46 T185 F186	F45-I192 WeakPolarHBondContact O-CA 3.23Å; A46-I192 HydrophobicContact CB-CD1 3.74Å; T185-I192 HydrophobicContact CG2-CD1 4.31Å; F186-I192 HydrophobicContact CB-CD1 4.05Å
193	A	83.9	Confident	73.8	Confident	36 Å²	36	73 Å²	73	30%	0.298	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.5	137.1	173.2	0	0	0	0	0	109.8	L44 F45 K195 W197	L44-A193 HydrophobicContact CD2-CB 4.35Å; F45-A193 PolarHBondContact O-N 2.92Å; A193-K195 PolarHBondContact O-N 3.19Å; A193-W197 PolarHBondContact O-NE1 3.02Å
194	E	61	Low	72.6	Confident	206 Å²	206	76.2 Å²	76.2	96%	0.963	41%	0.412	S	S	*	.	S	Bend	trans	-61.1	9.8	-170.4	-63.8	-174.9	161	0	0	116.5
195	K	62.8	Low	71.8	Confident	124 Å²	124	78.3 Å²	78.3	54%	0.539	42%	0.424	S	S	.	.	S	Bend	trans	-79.9	133.5	174.1	-166.4	174.4	178.7	-173.2	0	109.7	A193 W197	A193-K195 PolarHBondContact O-N 3.19Å; K195-W197 HydrophobicContact CB-CH2 4.3Å; K195-W197 HydrophobicContact CB-CZ2 3.8Å; K195-W197 HydrophobicContact CD-CH2 3.81Å; K195-W197 HydrophobicContact CD-CZ2 4.18Å; K195-W197 HydrophobicContact CD-CZ3 4.05Å; K195-W197 HydrophobicContact CG-CH2 4.49Å; K195-W197 HydrophobicContact CG-CZ2 4.44Å; K195-W197 PolarHBondContact O-N 3.37Å; K195-W197 PolarHBondContact O-NE1 3.47Å
196	D	53.1	Low	71.4	Confident	98 Å²	98	74.5 Å²	74.5	52%	0.524	40%	0.401	S	S	.	.			trans	-73.6	96.2	174.2	-167	-9.3	0	0	0	110.1	S198	D196-S198 PolarHBondContact O-N 3.09Å; D196-S198 WeakPolarHBondContact OD1-CB 3.27Å; D196-S198 PolarHBondContact OD1-N 3.24Å; D196-S198 VanDerWaalsContact OD1-N 3.11Å; D196-S198 PolarHBondContact OD1-OG 3.01Å
197	W	57.4	Low	71.1	Confident	34 Å²	34	74.8 Å²	74.8	13%	0.129	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-72.6	-7.4	-179.6	-58.1	99.6	0	0	0	113.4	N43 L44 F45 A193 K195 L199 E200	N43-W197 HydrophobicContact CB-CE3 4.3Å; N43-W197 HydrophobicContact CB-CH2 3.46Å; N43-W197 VanDerWaalsContact CB-CH2 3.46Å; N43-W197 HydrophobicContact CB-CZ3 3.24Å; L44-W197 WeakPolarHBondContact O-CH2 3.31Å; L44-W197 WeakPolarHBondContact O-CZ2 3.25Å; F45-W197 HydrophobicContact CB-CD2 3.87Å; F45-W197 HydrophobicContact CB-CE3 4.4Å; F45-W197 HydrophobicContact CB-CG 4.47Å; F45-W197 HydrophobicContact CB-CH2 4.1Å; F45-W197 HydrophobicContact CB-CZ2 3.49Å; F45-W197 VanDerWaalsContact CB-CZ2 3.49Å; A193-W197 PolarHBondContact O-NE1 3.02Å; K195-W197 HydrophobicContact CB-CH2 4.3Å; K195-W197 HydrophobicContact CB-CZ2 3.8Å; K195-W197 HydrophobicContact CD-CH2 3.81Å; K195-W197 HydrophobicContact CD-CZ2 4.18Å; K195-W197 HydrophobicContact CD-CZ3 4.05Å; K195-W197 HydrophobicContact CG-CH2 4.49Å; K195-W197 HydrophobicContact CG-CZ2 4.44Å; K195-W197 PolarHBondContact O-N 3.37Å; K195-W197 PolarHBondContact O-NE1 3.47Å; W197-L199 VanDerWaalsContact C-N 3.3Å; W197-E200 HydrophobicContact CE3-CG 4.22Å; W197-E200 WeakPolarHBondContact CZ3-OE1 3.31Å
198	S	46.2	Very low	71	Confident	98 Å²	98	75 Å²	75	69%	0.685	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-80.4	-13.6	179.9	71.8	0	0	0	0	113.4	D196	D196-S198 PolarHBondContact O-N 3.09Å; D196-S198 WeakPolarHBondContact OD1-CB 3.27Å; D196-S198 PolarHBondContact OD1-N 3.24Å; D196-S198 VanDerWaalsContact OD1-N 3.11Å; D196-S198 PolarHBondContact OD1-OG 3.01Å
199	L	45	Very low	70.9	Confident	129 Å²	129	76.3 Å²	76.3	68%	0.675	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-118.2	25.5	-176.7	-63.9	173.5	0	0	0	112.6	W197 E201	W197-L199 VanDerWaalsContact C-N 3.3Å; L199-E201 PolarHBondContact O-N 3.18Å
200	E	52.4	Low	71.1	Confident	71 Å²	71	75.6 Å²	75.6	33%	0.332	40%	0.397	S	S	.	.			trans	-58.3	103.3	173	-74.8	-168.8	149.4	0	0	109.3	N43 W197 E202	N43-E200 PolarHBondContact ND2-OE1 2.87Å; W197-E200 HydrophobicContact CE3-CG 4.22Å; W197-E200 WeakPolarHBondContact CZ3-OE1 3.31Å; E200-E202 PolarHBondContact O-N 3.42Å
201	E	53.5	Low	71.2	Confident	184 Å²	184	75.8 Å²	75.8	86%	0.86	40%	0.398	S	S	*	.			trans	-53.5	125.7	156.3	-72	-172.9	165.6	0	0	106.2	L199 D203	L199-E201 PolarHBondContact O-N 3.18Å; E201-D203 PolarHBondContact O-N 3.48Å
202	E	55.6	Low	71.3	Confident	96 Å²	96	71.5 Å²	71.5	45%	0.449	37%	0.371	S	S	.	.			trans	-51.2	119.9	-179.9	-168.2	164.5	-152.8	0	0	107.4	E200 L204 K323	E200-E202 PolarHBondContact O-N 3.42Å; E202-L204 HydrophobicContact CB-CD2 4.48Å; E202-L204 WeakPolarHBondContact O-CG 3.3Å; E202-L204 PolarHBondContact O-N 2.77Å; E202-K323 IonicContact OE1-NZ 3.04Å; E202-K323 PolarHBondContact OE1-NZ 3.49Å; E202-K323 IonicContact OE2-NZ 3.02Å
203	D	66.8	Low	71.5	Confident	65 Å²	65	69.1 Å²	69.1	35%	0.348	36%	0.359	S	S	.	.			trans	-63.9	90.6	175.4	174.4	10.5	0	0	0	107.5	K60 E201 S205 C206	K60-D203 IonicContact NZ-OD2 3.38Å; K60-D203 PolarHBondContact NZ-OD2 3.09Å; E201-D203 PolarHBondContact O-N 3.48Å; D203-S205 PolarHBondContact O-N 3.23Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 WeakPolarHBondContact OD1-CB 3.33Å; D203-S205 PolarHBondContact OD1-N 2.91Å; D203-S205 PolarHBondContact OD1-OG 3.39Å; D203-C206 CarbonylContact O-C 3.58Å; D203-C206 PolarHBondContact O-N 2.84Å; D203-C206 WeakPolarHBondContact OD2-CB 2.98Å
204	L	67.6	Low	72.1	Confident	139 Å²	139	67.5 Å²	67.5	73%	0.728	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	-174.9	-64.7	178.4	0	0	0	111.4	E202	E202-L204 HydrophobicContact CB-CD2 4.48Å; E202-L204 WeakPolarHBondContact O-CG 3.3Å; E202-L204 PolarHBondContact O-N 2.77Å
205	S	72.2	Confident	73.8	Confident	57 Å²	57	57.9 Å²	57.9	40%	0.399	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.4	176.5	77.7	0	0	0	0	112.8	D203 S327 A331	D203-S205 PolarHBondContact O-N 3.23Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 WeakPolarHBondContact OD1-CB 3.33Å; D203-S205 PolarHBondContact OD1-N 2.91Å; D203-S205 PolarHBondContact OD1-OG 3.39Å; S205-S327 CarbonylContact O-C 3.48Å; S205-A331 WeakPolarHBondContact O-CB 3.44Å
206	C	80.7	Confident	75.4	Confident	1 Å²	1	52 Å²	52	1%	0.007	28%	0.275	C	S	.	.	S	Bend	trans	-148.2	68.6	-175	-168.9	0	0	0	0	111	K41 K60 D203 V208 M332	K41-C206 HydrophobicContact CB-CB 4.25Å; K41-C206 HydrophobicContact CG-CB 4.23Å; K60-C206 WeakPolarHBondContact CE-O 3.45Å; K60-C206 WeakPolarHBondContact CE-SG 3.29Å; K60-C206 PolarHBondContact NZ-O 2.86Å; K60-C206 PolarHBondContact NZ-SG 3.27Å; K60-C206 VanDerWaalsContact NZ-SG 3.44Å; D203-C206 CarbonylContact O-C 3.58Å; D203-C206 PolarHBondContact O-N 2.84Å; D203-C206 WeakPolarHBondContact OD2-CB 2.98Å; C206-V208 PolarHBondContact O-N 3.32Å; C206-M332 VanDerWaalsContact SG-CE 3.59Å
207	P	87.6	Confident	77.5	Confident	12 Å²	12	47.3 Å²	47.3	8%	0.078	25%	0.25	C	C	.	.			trans	-79.5	57.9	-171.8	33.1	-39	0	0	0	113.5	T322 K323 D324 T328	P207-T322 WeakPolarHBondContact O-CA 3.42Å; P207-T322 PolarHBondContact O-OG1 3.13Å; P207-K323 HydrophobicContact CB-CB 4.44Å; P207-K323 HydrophobicContact CG-CB 4.39Å; P207-K323 PolarHBondContact O-N 2.88Å; P207-D324 HydrophobicContact CG-CB 4.03Å; P207-T328 WeakPolarHBondContact CD-OG1 3.28Å
208	V	90.3	Very high	79.3	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.4	170.3	174.8	0	0	0	0	109.9	K60 C206 L320 Y321 T328 M332 L412	K60-V208 HydrophobicContact CD-CB 3.66Å; K60-V208 HydrophobicContact CD-CG1 4.24Å; K60-V208 HydrophobicContact CD-CG2 4.11Å; K60-V208 HydrophobicContact CG-CB 3.95Å; K60-V208 HydrophobicContact CG-CG1 4.37Å; C206-V208 PolarHBondContact O-N 3.32Å; V208-L320 HydrophobicContact CG1-CB 3.88Å; V208-L320 HydrophobicContact CG1-CD2 4.3Å; V208-L320 HydrophobicContact CG1-CG 4.47Å; V208-Y321 CarbonylContact C-O 3.49Å; V208-Y321 WeakPolarHBondContact CA-O 3.38Å; V208-T328 HydrophobicContact CG2-CG2 4.01Å; V208-M332 HydrophobicContact CG2-CE 4.29Å; V208-L412 HydrophobicContact CG2-CD2 4.45Å
209	T	89.6	Confident	81.6	Confident	30 Å²	30	44.1 Å²	44.1	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-39	-171.6	60.9	0	0	0	0	114.9	T62 Y321 K323	T62-T209 PolarHBondContact N-O 2.9Å; T62-T209 PolarHBondContact OG1-O 2.95Å; T209-Y321 PolarHBondContact N-O 2.81Å; T209-Y321 VanDerWaalsContact OG1-CD1 3.28Å; T209-Y321 WeakPolarHBondContact OG1-CD1 3.44Å; T209-Y321 PolarHBondContact OG1-O 2.85Å; T209-K323 HydrophobicContact CG2-CD 4.49Å; T209-K323 HydrophobicContact CG2-CG 4.38Å
210	H	92.5	Very high	83.8	Confident	31 Å²	31	43 Å²	43	14%	0.144	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.1	-174.6	63.5	-82	0	0	0	112.1	T62 S63 P285 Y321	T62-H210 WeakPolarHBondContact OG1-CA 3.3Å; T62-H210 WeakPolarHBondContact OG1-CB 3.21Å; S63-H210 WeakPolarHBondContact OG-CA 3.3Å; S63-H210 PolarHBondContact OG-O 2.9Å; H210-P285 HydrophobicContact CB-CG 3.91Å; H210-P285 WeakPolarHBondContact CD2-CB 3.46Å; H210-P285 WeakPolarHBondContact CD2-CG 3.19Å; H210-P285 WeakPolarHBondContact NE2-CB 3.31Å; H210-Y321 WeakPolarHBondContact CE1-CB 3.23Å; H210-Y321 AromaticContact CE1-CD1 3.57Å; H210-Y321 AromaticContact CE1-CD2 3.74Å; H210-Y321 AromaticContact CE1-CG 3.26Å; H210-Y321 AromaticContact ND1-CD1 3.93Å; H210-Y321 AromaticContact ND1-CG 3.85Å; H210-Y321 AromaticContact NE2-CG 3.81Å; H210-Y321 PolarHBondContact O-N 2.95Å
211	F	94.6	Very high	85.5	Confident	18 Å²	18	46.7 Å²	46.7	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.2	168.5	-60.2	-49.9	0	0	0	109.5	L19 V22 S63 V64 F65 V318 A319 L320	L19-F211 HydrophobicContact CD1-CB 4.46Å; L19-F211 HydrophobicContact CD1-CD2 4.16Å; L19-F211 HydrophobicContact CD2-CD2 3.54Å; L19-F211 HydrophobicContact CD2-CE2 3.85Å; L19-F211 HydrophobicContact CG-CD2 4.46Å; V22-F211 HydrophobicContact CB-CE2 4.36Å; V22-F211 HydrophobicContact CB-CZ 4.33Å; V22-F211 HydrophobicContact CG2-CD2 4.24Å; V22-F211 HydrophobicContact CG2-CE2 3.76Å; V22-F211 HydrophobicContact CG2-CZ 4.08Å; S63-F211 PolarHBondContact OG-N 3.38Å; S63-F211 VanDerWaalsContact OG-N 3.13Å; V64-F211 WeakPolarHBondContact O-CZ 3.33Å; F65-F211 HydrophobicContact CD1-CZ 4.13Å; F65-F211 HydrophobicContact CD2-CE1 4.42Å; F65-F211 HydrophobicContact CD2-CZ 4.43Å; F65-F211 AromaticContact CE1-CE1 3.93Å; F65-F211 HydrophobicContact CE1-CE1 3.93Å; F65-F211 AromaticContact CE1-CZ 3.92Å; F65-F211 HydrophobicContact CE1-CZ 3.92Å; F65-F211 AromaticContact CE2-CE1 3.82Å; F65-F211 HydrophobicContact CE2-CE1 3.82Å; F65-F211 HydrophobicContact CE2-CZ 4.23Å; F65-F211 HydrophobicContact CG-CZ 4.39Å; F65-F211 AromaticContact CZ-CE1 3.54Å; F65-F211 HydrophobicContact CZ-CE1 3.54Å; F65-F211 AromaticContact CZ-CZ 3.98Å; F65-F211 HydrophobicContact CZ-CZ 3.98Å; F211-V318 HydrophobicContact CB-CG1 4.36Å; F211-V318 HydrophobicContact CD1-CG1 3.33Å; F211-V318 HydrophobicContact CE1-CG1 3.75Å; F211-V318 HydrophobicContact CG-CG1 4Å; F211-A319 CarbonylContact C-O 3.57Å; F211-A319 WeakPolarHBondContact CA-O 3.4Å; F211-L320 HydrophobicContact CD1-CD2 3.65Å; F211-L320 HydrophobicContact CE1-CD2 3.71Å
212	D	93.5	Very high	87.3	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-50	178.2	-175.1	-95.8	0	0	0	111.3	A319 I413 R415	D212-A319 HydrophobicContact CB-CB 4.03Å; D212-A319 PolarHBondContact N-O 3.48Å; D212-I413 HydrophobicContact CB-CG2 3.5Å; D212-I413 VanDerWaalsContact CB-CG2 3.5Å; D212-R415 IonicContact OD1-CZ 3.81Å; D212-R415 IonicContact OD1-NE 2.61Å; D212-R415 IonicContact OD1-NH2 3.67Å; D212-R415 PolarHBondContact OD1-NH2 3.15Å; D212-R415 IonicContact OD2-CZ 2.82Å; D212-R415 IonicContact OD2-NE 2.84Å; D212-R415 PolarHBondContact OD2-NE 2.87Å; D212-R415 IonicContact OD2-NH2 2.63Å
213	H	94.6	Very high	89	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.032	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	165.1	179.5	66.6	-93.1	0	0	0	111.7	T215 K288 H317 A319 E411 F421	H213-T215 PolarHBondContact CD2-OG1 2.71Å; H213-K288 WeakPolarHBondContact CA-O 3.46Å; H213-K288 HydrophobicContact CB-CB 3.83Å; H213-K288 VanDerWaalsContact CB-O 3.31Å; H213-K288 WeakPolarHBondContact CB-O 3.37Å; H213-H317 AromaticContact CD2-NE2 3.86Å; H213-H317 AromaticContact NE2-CD2 3.97Å; H213-H317 AromaticContact NE2-NE2 3.19Å; H213-H317 PolarHBondContact NE2-NE2 2.72Å; H213-H317 VanDerWaalsContact NE2-NE2 3.19Å; H213-A319 WeakPolarHBondContact CE1-CB 3.37Å; H213-A319 VanDerWaalsContact ND1-CB 3.3Å; H213-A319 WeakPolarHBondContact ND1-CB 3.15Å; H213-A319 PolarHBondContact O-N 2.89Å; H213-E411 IonicContact CE1-OE1 2.7Å; H213-E411 IonicContact CE1-OE2 3.2Å; H213-E411 PolarHBondContact CE1-OE2 3.13Å; H213-E411 IonicContact NE2-OE2 2.84Å; H213-E411 PolarHBondContact NE2-OE2 3.38Å; H213-F421 HydrophobicContact CB-CE1 4.07Å; H213-F421 HydrophobicContact CB-CZ 4.47Å; H213-F421 AromaticContact CD2-CE1 3.95Å; H213-F421 AromaticContact CE1-CE1 3.99Å; H213-F421 AromaticContact CG-CE1 3.71Å; H213-F421 AromaticContact ND1-CE1 3.73Å
214	I	96.9	Very high	90.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.9	173.6	-59.3	-174.9	0	0	0	108.6	L19 V22 V125 Y216 K288 F289 V290 V315 V318	L19-I214 HydrophobicContact CD1-CD1 3.85Å; V22-I214 HydrophobicContact CG2-CD1 3.91Å; V125-I214 HydrophobicContact CG1-CD1 3.83Å; V125-I214 HydrophobicContact CG2-CD1 3.81Å; I214-Y216 HydrophobicContact CG2-CE1 4.23Å; I214-K288 PolarHBondContact N-O 2.87Å; I214-F289 HydrophobicContact CB-CD1 3.74Å; I214-F289 HydrophobicContact CB-CE1 3.8Å; I214-F289 HydrophobicContact CD1-CE1 4.07Å; I214-F289 HydrophobicContact CG1-CD1 4.47Å; I214-F289 HydrophobicContact CG1-CE1 4.1Å; I214-F289 VanDerWaalsContact O-CA 3.27Å; I214-F289 WeakPolarHBondContact O-CA 3.44Å; I214-V290 PolarHBondContact O-N 3.02Å; I214-V315 HydrophobicContact CG2-CB 4.45Å; I214-V315 HydrophobicContact CG2-CG1 3.65Å; I214-V315 HydrophobicContact CG2-CG2 3.97Å; I214-V318 HydrophobicContact CD1-CG2 4.36Å; I214-V318 HydrophobicContact CG1-CG1 4.35Å; I214-V318 HydrophobicContact CG1-CG2 4.09Å; I214-V318 HydrophobicContact CG2-CG2 4.44Å
215	T	96.9	Very high	91.4	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.3	179.6	-58.2	0	0	0	0	110.5	H213 V290 A292 Q316 H317	H213-T215 PolarHBondContact CD2-OG1 2.71Å; T215-V290 CarbonylContact C-O 3.54Å; T215-V290 VanDerWaalsContact CA-O 3.29Å; T215-V290 WeakPolarHBondContact CA-O 3.06Å; T215-V290 HydrophobicContact CG2-CB 4.04Å; T215-V290 HydrophobicContact CG2-CG1 4.18Å; T215-A292 HydrophobicContact CG2-CB 4.28Å; T215-Q316 PolarHBondContact O-N 3.45Å; T215-H317 WeakPolarHBondContact CB-CE1 3.29Å; T215-H317 VanDerWaalsContact CB-ND1 3.3Å; T215-H317 WeakPolarHBondContact CB-ND1 3.35Å; T215-H317 PolarHBondContact N-O 3.3Å; T215-H317 PolarHBondContact O-N 3.32Å; T215-H317 PolarHBondContact OG1-CE1 2.96Å; T215-H317 PolarHBondContact OG1-ND1 2.77Å; T215-H317 PolarHBondContact OG1-NE2 2.85Å; T215-H317 VanDerWaalsContact OG1-NE2 3.07Å
216	Y	97.4	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.5	176.9	-61.4	-68.8	0	0	0	110.5	V169 V172 I214 Y230 F289 V290 A292 G314 V315	V169-Y216 HydrophobicContact CB-CD1 4.33Å; V169-Y216 HydrophobicContact CG1-CD1 3.75Å; V169-Y216 HydrophobicContact CG1-CE1 4.43Å; V169-Y216 HydrophobicContact CG1-CG 4.12Å; V169-Y216 HydrophobicContact CG2-CD1 4.39Å; V169-Y216 HydrophobicContact CG2-CG 4.3Å; V172-Y216 HydrophobicContact CG1-CE1 4.39Å; V172-Y216 HydrophobicContact CG2-CE1 4.18Å; I214-Y216 HydrophobicContact CG2-CE1 4.23Å; Y216-Y230 HydrophobicContact CE2-CE2 4.43Å; Y216-Y230 PolarHBondContact OH-OH 3.19Å; Y216-F289 HydrophobicContact CD2-CB 4.41Å; Y216-F289 HydrophobicContact CE2-CB 4Å; Y216-F289 HydrophobicContact CE2-CD1 4.09Å; Y216-F289 HydrophobicContact CE2-CD2 4.01Å; Y216-F289 AromaticContact CE2-CG 3.78Å; Y216-F289 HydrophobicContact CE2-CG 3.78Å; Y216-V290 PolarHBondContact N-O 2.77Å; Y216-A292 PolarHBondContact O-N 3.33Å; Y216-G314 CarbonylContact C-O 3.55Å; Y216-G314 VanDerWaalsContact CA-O 3.29Å; Y216-G314 WeakPolarHBondContact CA-O 3.46Å; Y216-V315 HydrophobicContact CD1-CG2 3.86Å; Y216-V315 HydrophobicContact CE1-CG2 3.56Å
217	A	96.3	Very high	93.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123	163.8	0	0	0	0	0	108.7	V303 F306 A313 G314 Q316	A217-V303 HydrophobicContact CB-CG1 4.33Å; A217-F306 HydrophobicContact CB-CB 4.19Å; A217-F306 HydrophobicContact CB-CD1 3.28Å; A217-F306 HydrophobicContact CB-CD2 4.11Å; A217-F306 HydrophobicContact CB-CE1 3.63Å; A217-F306 HydrophobicContact CB-CE2 4.4Å; A217-F306 HydrophobicContact CB-CG 3.59Å; A217-F306 HydrophobicContact CB-CZ 4.19Å; A217-A313 VanDerWaalsContact O-CA 3.28Å; A217-A313 WeakPolarHBondContact O-CA 3.47Å; A217-G314 PolarHBondContact N-O 2.9Å; A217-G314 PolarHBondContact O-N 2.93Å; A217-G314 VanDerWaalsContact O-N 3.14Å; A217-Q316 HydrophobicContact CB-CB 4.09Å
218	S	95.2	Very high	93.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.174	C	C	.	.			trans	-130.5	152.8	-174.6	-56.9	0	0	0	0	112.3	S222 A292	S218-S222 WeakPolarHBondContact CB-OG 3.49Å; S218-A292 PolarHBondContact N-O 3.39Å
219	P	93.4	Very high	93.6	Very high	63 Å²	63	36.4 Å²	36.4	41%	0.409	18%	0.18	S	C	.	.			trans	-56.7	156.5	174.2	-25.2	33.9	0	0	0	112.2	S222 L307	P219-S222 VanDerWaalsContact O-CB 3.23Å; P219-S222 WeakPolarHBondContact O-CB 3.46Å; P219-S222 PolarHBondContact O-N 2.94Å; P219-S222 PolarHBondContact O-OG 3.04Å; P219-L307 HydrophobicContact CG-CD2 4.44Å
220	R	91.9	Very high	93.8	Very high	106 Å²	106	35 Å²	35	40%	0.4	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141	179.8	-49.7	-174.6	-173.3	-176.6	-9.2	111.4	S222 S294 D304	R220-S222 VanDerWaalsContact C-N 3.27Å; R220-S222 PolarHBondContact O-N 3.48Å; R220-S294 WeakPolarHBondContact CG-O 3.46Å; R220-D304 IonicContact CZ-OD1 2.91Å; R220-D304 IonicContact NE-OD1 3.61Å; R220-D304 IonicContact NH2-OD1 3.72Å; R220-D304 PolarHBondContact NH2-OD1 3.07Å; R220-D304 IonicContact NH2-OD2 3.52Å; R220-D304 PolarHBondContact NH2-OD2 3.19Å
221	K	88.4	Confident	93.7	Very high	148 Å²	148	37.1 Å²	37.1	64%	0.643	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	31.7	179.1	-52.2	-176.8	176.9	-174	0	113.6	H224 E293	K221-H224 PolarHBondContact O-CE1 3.48Å; K221-H224 PolarHBondContact O-ND1 3.18Å; K221-E293 WeakPolarHBondContact CA-OE2 3.19Å; K221-E293 VanDerWaalsContact N-CD 3.33Å; K221-E293 PolarHBondContact N-OE1 2.86Å; K221-E293 PolarHBondContact N-OE2 3.45Å
222	S	91.4	Very high	93.5	Very high	13 Å²	13	42 Å²	42	9%	0.091	20%	0.202	C	C	.	.			trans	-107.6	-19.3	177.5	69.7	0	0	0	0	113.2	S218 P219 R220 H224 Q225 V226 E293	S218-S222 WeakPolarHBondContact CB-OG 3.49Å; P219-S222 VanDerWaalsContact O-CB 3.23Å; P219-S222 WeakPolarHBondContact O-CB 3.46Å; P219-S222 PolarHBondContact O-N 2.94Å; P219-S222 PolarHBondContact O-OG 3.04Å; R220-S222 VanDerWaalsContact C-N 3.27Å; R220-S222 PolarHBondContact O-N 3.48Å; S222-H224 VanDerWaalsContact C-N 3.28Å; S222-H224 PolarHBondContact O-N 2.86Å; S222-H224 VanDerWaalsContact O-N 3.11Å; S222-Q225 WeakPolarHBondContact O-CB 3.32Å; S222-Q225 PolarHBondContact O-N 2.8Å; S222-V226 PolarHBondContact O-N 2.77Å; S222-V226 VanDerWaalsContact O-N 3.12Å; S222-E293 PolarHBondContact N-OE2 3.02Å
223	S	91.1	Very high	93.4	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-47.9	-45.7	-178.3	-66.3	0	0	0	0	113.7	Q225 V226 I227 I291 E293	S223-Q225 VanDerWaalsContact C-N 3.27Å; S223-Q225 PolarHBondContact O-N 2.92Å; S223-V226 PolarHBondContact O-N 3.18Å; S223-I227 WeakPolarHBondContact O-CB 3.03Å; S223-I227 VanDerWaalsContact O-CG1 3.26Å; S223-I227 WeakPolarHBondContact O-CG1 3.46Å; S223-I227 PolarHBondContact O-N 3.4Å; S223-I291 WeakPolarHBondContact OG-CG2 3.39Å; S223-E293 PolarHBondContact N-OE2 2.86Å; S223-E293 VanDerWaalsContact N-OE2 3.12Å; S223-E293 VanDerWaalsContact OG-CD 3.32Å; S223-E293 PolarHBondContact OG-OE2 3.02Å
224	H	91.8	Very high	93.2	Very high	123 Å²	123	41.4 Å²	41.4	57%	0.569	20%	0.199	S	C	*	.	H	α-helix	trans	-60.2	-32.2	179	67.2	-6.5	0	0	0	114.3	K221 S222 G228	K221-H224 PolarHBondContact O-CE1 3.48Å; K221-H224 PolarHBondContact O-ND1 3.18Å; S222-H224 VanDerWaalsContact C-N 3.28Å; S222-H224 PolarHBondContact O-N 2.86Å; S222-H224 VanDerWaalsContact O-N 3.11Å; H224-G228 PolarHBondContact O-N 2.96Å
225	Q	93.6	Very high	92.7	Very high	114 Å²	114	42 Å²	42	53%	0.533	21%	0.206	S	C	.	.	H	α-helix	trans	-80.2	-41.6	-177.2	-83.9	164.4	14.7	0	0	108.5	I168 S222 S223 W229	I168-Q225 HydrophobicContact CD1-CB 4.07Å; S222-Q225 WeakPolarHBondContact O-CB 3.32Å; S222-Q225 PolarHBondContact O-N 2.8Å; S223-Q225 VanDerWaalsContact C-N 3.27Å; S223-Q225 PolarHBondContact O-N 2.92Å; Q225-W229 WeakPolarHBondContact O-CB 3.5Å; Q225-W229 PolarHBondContact O-N 3.16Å
226	V	95	Very high	92.4	Very high	5 Å²	5	42 Å²	42	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-52.8	175.6	-176.9	0	0	0	0	110	I168 V169 S222 S223 G228 W229 Y230 M265 I291	I168-V226 HydrophobicContact CG2-CB 4.4Å; I168-V226 HydrophobicContact CG2-CG1 4.29Å; I168-V226 HydrophobicContact CG2-CG2 4.22Å; V169-V226 HydrophobicContact CG2-CG1 3.72Å; V169-V226 HydrophobicContact CG2-CG2 4.08Å; S222-V226 PolarHBondContact O-N 2.77Å; S222-V226 VanDerWaalsContact O-N 3.12Å; S223-V226 PolarHBondContact O-N 3.18Å; V226-G228 PolarHBondContact O-N 3.49Å; V226-W229 WeakPolarHBondContact O-CB 3.49Å; V226-W229 PolarHBondContact O-N 3.5Å; V226-Y230 HydrophobicContact CG1-CD2 3.88Å; V226-Y230 HydrophobicContact CG1-CE2 3.69Å; V226-Y230 VanDerWaalsContact O-CD2 3.27Å; V226-Y230 WeakPolarHBondContact O-CD2 3.13Å; V226-Y230 PolarHBondContact O-N 3.49Å; V226-Y230 VanDerWaalsContact O-N 3.1Å; V226-M265 HydrophobicContact CG1-CE 4.21Å; V226-I291 HydrophobicContact CB-CG1 4.17Å; V226-I291 HydrophobicContact CG1-CD1 4.15Å; V226-I291 HydrophobicContact CG1-CG1 3.75Å
227	I	92.9	Very high	92	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-56.9	176	-67.3	-81.5	0	0	0	110.5	S223 W229 Y230 E231 T263 M265 I291	S223-I227 WeakPolarHBondContact O-CB 3.03Å; S223-I227 VanDerWaalsContact O-CG1 3.26Å; S223-I227 WeakPolarHBondContact O-CG1 3.46Å; S223-I227 PolarHBondContact O-N 3.4Å; I227-W229 PolarHBondContact O-N 3.22Å; I227-W229 VanDerWaalsContact O-N 3.13Å; I227-Y230 PolarHBondContact O-N 3.27Å; I227-Y230 VanDerWaalsContact O-N 3.09Å; I227-E231 HydrophobicContact CG2-CG 3.94Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.35Å; I227-E231 PolarHBondContact O-N 3.44Å; I227-T263 HydrophobicContact CD1-CG2 3.73Å; I227-T263 HydrophobicContact CG1-CG2 3.68Å; I227-M265 HydrophobicContact CD1-CB 3.78Å; I227-M265 HydrophobicContact CD1-CE 3.55Å; I227-M265 HydrophobicContact CD1-CG 4.05Å; I227-M265 HydrophobicContact CD1-SD 4.15Å; I227-M265 HydrophobicContact CG1-CE 4.14Å; I227-I291 HydrophobicContact CD1-CD1 4.04Å; I227-I291 HydrophobicContact CG1-CD1 4.35Å
228	G	92.9	Very high	91.7	Very high	29 Å²	29	49.1 Å²	49.1	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-30.5	-178.5	0	0	0	0	0	113.6	H224 V226 K232	H224-G228 PolarHBondContact O-N 2.96Å; V226-G228 PolarHBondContact O-N 3.49Å; G228-K232 WeakPolarHBondContact O-CB 3.23Å; G228-K232 PolarHBondContact O-N 2.77Å
229	W	94.8	Very high	91.3	Very high	43 Å²	43	50.4 Å²	50.4	16%	0.163	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-49.7	174.6	-171.5	91.7	0	0	0	111.6	V165 K166 I168 H174 Q225 V226 I227 L233 F234	V165-W229 HydrophobicContact CG1-CH2 4.34Å; V165-W229 HydrophobicContact CG1-CZ2 4.2Å; K166-W229 WeakPolarHBondContact O-CZ2 3.36Å; I168-W229 HydrophobicContact CB-CB 4.32Å; I168-W229 HydrophobicContact CB-CD2 3.99Å; I168-W229 HydrophobicContact CB-CG 3.84Å; I168-W229 HydrophobicContact CD1-CB 4Å; I168-W229 HydrophobicContact CD1-CG 4.13Å; I168-W229 HydrophobicContact CG2-CB 3.86Å; I168-W229 HydrophobicContact CG2-CD2 3.76Å; I168-W229 HydrophobicContact CG2-CE3 4Å; I168-W229 HydrophobicContact CG2-CG 3.72Å; H174-W229 AromaticContact CD2-CH2 3.83Å; H174-W229 AromaticContact CD2-CZ3 3.94Å; Q225-W229 WeakPolarHBondContact O-CB 3.5Å; Q225-W229 PolarHBondContact O-N 3.16Å; V226-W229 WeakPolarHBondContact O-CB 3.49Å; V226-W229 PolarHBondContact O-N 3.5Å; I227-W229 PolarHBondContact O-N 3.22Å; I227-W229 VanDerWaalsContact O-N 3.13Å; W229-L233 HydrophobicContact CD2-CD1 3.52Å; W229-L233 HydrophobicContact CE3-CD1 4.15Å; W229-L233 HydrophobicContact CG-CD1 3.88Å; W229-L233 HydrophobicContact CH2-CD1 4.11Å; W229-L233 HydrophobicContact CZ2-CD1 3.47Å; W229-L233 VanDerWaalsContact CZ2-CD1 3.47Å; W229-L233 HydrophobicContact CZ3-CD1 4.42Å; W229-L233 VanDerWaalsContact NE1-CD1 3.31Å; W229-L233 VanDerWaalsContact O-CB 3.26Å; W229-L233 WeakPolarHBondContact O-CB 3.36Å; W229-L233 WeakPolarHBondContact O-CG 3.46Å; W229-L233 PolarHBondContact O-N 2.93Å; W229-F234 HydrophobicContact CE3-CE2 4.33Å; W229-F234 HydrophobicContact CH2-CD2 4.49Å; W229-F234 AromaticContact CH2-CE2 3.55Å; W229-F234 HydrophobicContact CH2-CE2 3.55Å; W229-F234 HydrophobicContact CH2-CZ 4.34Å; W229-F234 HydrophobicContact CZ2-CE2 4.47Å; W229-F234 HydrophobicContact CZ3-CD2 4.01Å; W229-F234 AromaticContact CZ3-CE2 3.48Å; W229-F234 HydrophobicContact CZ3-CE2 3.48Å; W229-F234 VanDerWaalsContact CZ3-CE2 3.48Å
230	Y	93.9	Very high	90.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-38.5	177.5	-76.8	-80.3	0	0	0	112.6	S167 H174 Y216 V226 I227 F234 G235 F236 M265 F289	S167-Y230 PolarHBondContact OG-OH 3.12Å; H174-Y230 PolarHBondContact CE1-OH 2.85Å; H174-Y230 VanDerWaalsContact CE1-OH 3.32Å; H174-Y230 AromaticContact NE2-CE1 3.53Å; H174-Y230 AromaticContact NE2-CZ 3.48Å; H174-Y230 PolarHBondContact NE2-OH 3.32Å; Y216-Y230 HydrophobicContact CE2-CE2 4.43Å; Y216-Y230 PolarHBondContact OH-OH 3.19Å; V226-Y230 HydrophobicContact CG1-CD2 3.88Å; V226-Y230 HydrophobicContact CG1-CE2 3.69Å; V226-Y230 VanDerWaalsContact O-CD2 3.27Å; V226-Y230 WeakPolarHBondContact O-CD2 3.13Å; V226-Y230 PolarHBondContact O-N 3.49Å; V226-Y230 VanDerWaalsContact O-N 3.1Å; I227-Y230 PolarHBondContact O-N 3.27Å; I227-Y230 VanDerWaalsContact O-N 3.09Å; Y230-F234 AromaticContact CD1-CD2 3.88Å; Y230-F234 HydrophobicContact CD1-CD2 3.88Å; Y230-F234 HydrophobicContact CE1-CD2 4.42Å; Y230-F234 CarbonylContact O-C 3.59Å; Y230-F234 WeakPolarHBondContact O-CA 3.31Å; Y230-F234 PolarHBondContact O-N 3.01Å; Y230-G235 PolarHBondContact O-N 3.06Å; Y230-G235 VanDerWaalsContact O-N 3.07Å; Y230-F236 HydrophobicContact CD1-CD2 4.38Å; Y230-F236 HydrophobicContact CD1-CE2 4.33Å; Y230-F236 PolarHBondContact O-N 3.35Å; Y230-M265 WeakPolarHBondContact CB-SD 3.22Å; Y230-M265 HydrophobicContact CD2-CE 3.4Å; Y230-M265 VanDerWaalsContact CD2-CE 3.4Å; Y230-M265 HydrophobicContact CD2-SD 3.93Å; Y230-M265 HydrophobicContact CE2-CE 4.16Å; Y230-M265 HydrophobicContact CG-CE 3.91Å; Y230-M265 HydrophobicContact CG-SD 3.77Å; Y230-F289 HydrophobicContact CD1-CD2 4.17Å; Y230-F289 HydrophobicContact CD1-CE2 4.08Å; Y230-F289 AromaticContact CE1-CD2 3.94Å; Y230-F289 HydrophobicContact CE1-CD2 3.94Å; Y230-F289 AromaticContact CE1-CE2 3.63Å; Y230-F289 HydrophobicContact CE1-CE2 3.63Å; Y230-F289 HydrophobicContact CE2-CD2 4.49Å
231	E	90.9	Very high	90.4	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-49	175.3	-68.6	-171.8	140.3	0	0	111.2	I227 G235 F236 R238	I227-E231 HydrophobicContact CG2-CG 3.94Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.35Å; I227-E231 PolarHBondContact O-N 3.44Å; E231-G235 VanDerWaalsContact O-CA 3.27Å; E231-G235 WeakPolarHBondContact O-CA 3.33Å; E231-G235 PolarHBondContact O-N 3.39Å; E231-G235 VanDerWaalsContact O-N 3.15Å; E231-F236 WeakPolarHBondContact CA-O 3.35Å; E231-F236 WeakPolarHBondContact CG-O 3.43Å; E231-R238 PolarHBondContact OE1-N 3.35Å
232	K	90.8	Very high	90	Very high	120 Å²	120	42.7 Å²	42.7	52%	0.522	21%	0.208	S	C	.	.	H	α-helix	trans	-66.1	-41.1	-178.4	-176.9	-173.6	177	-164.3	0	112.5	L142 G228	L142-K232 PolarHBondContact O-NZ 3.32Å; L142-K232 VanDerWaalsContact O-NZ 3.07Å; G228-K232 WeakPolarHBondContact O-CB 3.23Å; G228-K232 PolarHBondContact O-N 2.77Å
233	L	90.8	Very high	89	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-95.4	-39.8	-167.8	-62.4	-179.1	0	0	0	113.7	A13 V14 L139 L142 C144 W229	A13-L233 WeakPolarHBondContact CA-O 3.27Å; V14-L233 PolarHBondContact N-O 3.47Å; L139-L233 HydrophobicContact CD2-CB 3.76Å; L139-L233 HydrophobicContact CD2-CD2 3.99Å; L139-L233 HydrophobicContact CD2-CG 4.32Å; L142-L233 HydrophobicContact CB-CD2 3.58Å; L142-L233 HydrophobicContact CD1-CD2 3.77Å; L142-L233 HydrophobicContact CG-CD2 4.32Å; C144-L233 WeakPolarHBondContact SG-CD1 3.44Å; C144-L233 WeakPolarHBondContact SG-CD2 3.18Å; W229-L233 HydrophobicContact CD2-CD1 3.52Å; W229-L233 HydrophobicContact CE3-CD1 4.15Å; W229-L233 HydrophobicContact CG-CD1 3.88Å; W229-L233 HydrophobicContact CH2-CD1 4.11Å; W229-L233 HydrophobicContact CZ2-CD1 3.47Å; W229-L233 VanDerWaalsContact CZ2-CD1 3.47Å; W229-L233 HydrophobicContact CZ3-CD1 4.42Å; W229-L233 VanDerWaalsContact NE1-CD1 3.31Å; W229-L233 VanDerWaalsContact O-CB 3.26Å; W229-L233 WeakPolarHBondContact O-CB 3.36Å; W229-L233 WeakPolarHBondContact O-CG 3.46Å; W229-L233 PolarHBondContact O-N 2.93Å
234	F	89.6	Confident	88.1	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-116.5	-2.9	-174	-61.8	-70.9	0	0	0	112.7	V14 L16 L139 L176 W229 Y230 F236 Y267	V14-F234 HydrophobicContact CB-CD1 4.28Å; L16-F234 HydrophobicContact CD1-CB 4.19Å; L16-F234 HydrophobicContact CD1-CD1 4.1Å; L16-F234 HydrophobicContact CD1-CG 4.37Å; L16-F234 HydrophobicContact CD2-CD1 3.77Å; L16-F234 HydrophobicContact CD2-CE1 4.2Å; L16-F234 HydrophobicContact CG-CD1 4.15Å; L139-F234 HydrophobicContact CD1-CE1 4.27Å; L139-F234 HydrophobicContact CD1-CZ 4.39Å; L176-F234 HydrophobicContact CD1-CE1 4.47Å; L176-F234 HydrophobicContact CD2-CE1 4Å; W229-F234 HydrophobicContact CE3-CE2 4.33Å; W229-F234 HydrophobicContact CH2-CD2 4.49Å; W229-F234 AromaticContact CH2-CE2 3.55Å; W229-F234 HydrophobicContact CH2-CE2 3.55Å; W229-F234 HydrophobicContact CH2-CZ 4.34Å; W229-F234 HydrophobicContact CZ2-CE2 4.47Å; W229-F234 HydrophobicContact CZ3-CD2 4.01Å; W229-F234 AromaticContact CZ3-CE2 3.48Å; W229-F234 HydrophobicContact CZ3-CE2 3.48Å; W229-F234 VanDerWaalsContact CZ3-CE2 3.48Å; Y230-F234 AromaticContact CD1-CD2 3.88Å; Y230-F234 HydrophobicContact CD1-CD2 3.88Å; Y230-F234 HydrophobicContact CE1-CD2 4.42Å; Y230-F234 CarbonylContact O-C 3.59Å; Y230-F234 WeakPolarHBondContact O-CA 3.31Å; Y230-F234 PolarHBondContact O-N 3.01Å; F234-F236 HydrophobicContact CB-CD2 3.64Å; F234-F236 HydrophobicContact CB-CE2 3.8Å; F234-F236 PolarHBondContact O-N 2.84Å; F234-Y267 WeakPolarHBondContact O-CE2 3.29Å
235	G	88.2	Confident	87.6	Confident	14 Å²	14	47.8 Å²	47.8	14%	0.144	26%	0.255	C	S	.	.			trans	70.3	23.4	175.5	0	0	0	0	0	113.2	Y230 E231	Y230-G235 PolarHBondContact O-N 3.06Å; Y230-G235 VanDerWaalsContact O-N 3.07Å; E231-G235 VanDerWaalsContact O-CA 3.27Å; E231-G235 WeakPolarHBondContact O-CA 3.33Å; E231-G235 PolarHBondContact O-N 3.39Å; E231-G235 VanDerWaalsContact O-N 3.15Å
236	F	90.1	Very high	87	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.018	25%	0.251	C	S	.	.			trans	-58	159.2	166.7	-80.9	-117.4	0	0	0	109.4	L16 Y230 E231 F234 M265 Y267 F289	L16-F236 HydrophobicContact CD1-CE2 3.77Å; L16-F236 HydrophobicContact CD1-CZ 4.39Å; Y230-F236 HydrophobicContact CD1-CD2 4.38Å; Y230-F236 HydrophobicContact CD1-CE2 4.33Å; Y230-F236 PolarHBondContact O-N 3.35Å; E231-F236 WeakPolarHBondContact CA-O 3.35Å; E231-F236 WeakPolarHBondContact CG-O 3.43Å; F234-F236 HydrophobicContact CB-CD2 3.64Å; F234-F236 HydrophobicContact CB-CE2 3.8Å; F234-F236 PolarHBondContact O-N 2.84Å; F236-M265 HydrophobicContact CB-CB 4.4Å; F236-M265 HydrophobicContact CB-CG 4.44Å; F236-M265 HydrophobicContact CB-SD 3.76Å; F236-M265 HydrophobicContact CD1-CB 4.27Å; F236-M265 HydrophobicContact CD1-CG 3.73Å; F236-M265 HydrophobicContact CD1-SD 3.61Å; F236-M265 HydrophobicContact CE1-SD 4.47Å; F236-M265 HydrophobicContact CG-CG 4.49Å; F236-M265 HydrophobicContact CG-SD 3.91Å; F236-Y267 AromaticContact CD2-CD2 3.94Å; F236-Y267 HydrophobicContact CD2-CD2 3.94Å; F236-Y267 HydrophobicContact CD2-CG 4.42Å; F236-Y267 AromaticContact CE2-CD2 3.97Å; F236-Y267 HydrophobicContact CE2-CD2 3.97Å; F236-Y267 HydrophobicContact CE2-CG 4.16Å; F236-Y267 HydrophobicContact CZ-CG 4.38Å; F236-F289 HydrophobicContact CD1-CD2 4.18Å; F236-F289 AromaticContact CE1-CD2 3.46Å; F236-F289 HydrophobicContact CE1-CD2 3.46Å; F236-F289 VanDerWaalsContact CE1-CD2 3.46Å; F236-F289 AromaticContact CE1-CE2 3.61Å; F236-F289 HydrophobicContact CE1-CE2 3.61Å; F236-F289 HydrophobicContact CE1-CG 4.14Å; F236-F289 HydrophobicContact CE1-CZ 4.38Å; F236-F289 HydrophobicContact CE2-CE2 4.43Å; F236-F289 AromaticContact CZ-CD2 3.85Å; F236-F289 HydrophobicContact CZ-CD2 3.85Å; F236-F289 AromaticContact CZ-CE2 3.48Å; F236-F289 HydrophobicContact CZ-CE2 3.48Å; F236-F289 VanDerWaalsContact CZ-CE2 3.48Å; F236-F289 HydrophobicContact CZ-CZ 4.17Å
237	Q	89.3	Confident	86	Confident	102 Å²	102	50.6 Å²	50.6	48%	0.477	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.4	177.3	-63.4	-176	-38.7	0	0	109.1	F239 M265 Q266	Q237-F239 PolarHBondContact O-N 3.19Å; Q237-M265 CarbonylContact O-C 3.55Å; Q237-M265 WeakPolarHBondContact O-CA 3.45Å; Q237-M265 WeakPolarHBondContact O-CB 3.34Å; Q237-Q266 PolarHBondContact N-O 2.98Å; Q237-Q266 PolarHBondContact O-N 3.39Å
238	R	88.7	Confident	85	Confident	46 Å²	46	56.8 Å²	56.8	17%	0.174	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	130.3	170.3	-171.2	61.6	168.6	94.5	4.7	111.1	E231 F240 E245 A264	E231-R238 PolarHBondContact OE1-N 3.35Å; R238-F240 HydrophobicContact CG-CE1 4.33Å; R238-F240 HydrophobicContact CG-CE2 4.23Å; R238-F240 HydrophobicContact CG-CZ 4.04Å; R238-E245 IonicContact CZ-OE1 3.64Å; R238-E245 IonicContact NH1-OE1 3.91Å; R238-E245 PolarHBondContact NH1-OE1 3.06Å; R238-E245 IonicContact NH1-OE2 3.38Å; R238-E245 IonicContact NH2-OE1 3.45Å; R238-E245 PolarHBondContact NH2-OE1 3.48Å; R238-E245 IonicContact NH2-OE2 2.88Å; R238-A264 WeakPolarHBondContact CD-O 3.31Å; R238-A264 VanDerWaalsContact NH1-N 3.17Å; R238-A264 PolarHBondContact NH1-O 3.02Å
239	F	87.9	Confident	84.3	Confident	30 Å²	30	59.9 Å²	59.9	13%	0.132	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.2	173	-177.2	-91.6	0	0	0	108.3	Q237 A264 Q266 T419 F421	Q237-F239 PolarHBondContact O-N 3.19Å; F239-A264 HydrophobicContact CB-CB 4.21Å; F239-A264 HydrophobicContact CD1-CB 4.09Å; F239-A264 PolarHBondContact N-O 3.4Å; F239-A264 CarbonylContact O-C 3.52Å; F239-A264 WeakPolarHBondContact O-CB 3.22Å; F239-Q266 HydrophobicContact CB-CB 4.28Å; F239-Q266 HydrophobicContact CB-CG 4.2Å; F239-Q266 HydrophobicContact CD2-CB 4.34Å; F239-Q266 VanDerWaalsContact CD2-CD 3.49Å; F239-Q266 HydrophobicContact CD2-CG 4.03Å; F239-Q266 VanDerWaalsContact CE2-OE1 3.29Å; F239-T419 WeakPolarHBondContact CZ-O 3.3Å; F239-F421 AromaticContact CD1-CD2 3.89Å; F239-F421 HydrophobicContact CD1-CD2 3.89Å; F239-F421 AromaticContact CD1-CE2 3.53Å; F239-F421 HydrophobicContact CD1-CE2 3.53Å; F239-F421 AromaticContact CE1-CD2 3.63Å; F239-F421 HydrophobicContact CE1-CD2 3.63Å; F239-F421 AromaticContact CE1-CE2 3.62Å; F239-F421 HydrophobicContact CE1-CE2 3.62Å
240	F	84.3	Confident	83.8	Confident	93 Å²	93	58 Å²	58	41%	0.408	31%	0.311	S	S	.	.			trans	-81	125.7	178.3	-64.1	-83.6	0	0	0	109.6	R238 E245 V247	R238-F240 HydrophobicContact CG-CE1 4.33Å; R238-F240 HydrophobicContact CG-CE2 4.23Å; R238-F240 HydrophobicContact CG-CZ 4.04Å; F240-E245 VanDerWaalsContact CA-OE2 3.23Å; F240-E245 WeakPolarHBondContact CA-OE2 3.35Å; F240-E245 HydrophobicContact CD1-CB 4.23Å; F240-E245 HydrophobicContact CD1-CG 4.47Å; F240-V247 HydrophobicContact CE1-CB 4.5Å; F240-V247 HydrophobicContact CE1-CG2 4.01Å; F240-V247 HydrophobicContact CZ-CG2 4.19Å
241	I	82.6	Confident	83.5	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.072	31%	0.313	C	S	.	.	S	Bend	trans	-71	-39.6	177.4	-67.7	171	0	0	0	109.5	E245 F251 L262 A264 F421 I426	I241-E245 PolarHBondContact N-OE2 3.36Å; I241-F251 HydrophobicContact CB-CB 4.1Å; I241-F251 HydrophobicContact CB-CG 4.35Å; I241-F251 HydrophobicContact CD1-CB 3.93Å; I241-F251 HydrophobicContact CG2-CB 4.27Å; I241-F251 HydrophobicContact CG2-CD1 4.17Å; I241-F251 HydrophobicContact CG2-CD2 4.38Å; I241-F251 HydrophobicContact CG2-CG 3.99Å; I241-L262 HydrophobicContact CD1-CB 3.6Å; I241-A264 HydrophobicContact CD1-CB 4.05Å; I241-A264 HydrophobicContact CG1-CB 3.78Å; I241-F421 HydrophobicContact CG1-CD2 4.04Å; I241-F421 HydrophobicContact CG2-CB 4.36Å; I241-I426 HydrophobicContact CG2-CD1 3.52Å
242	D	79.2	Confident	83.3	Confident	48 Å²	48	57.4 Å²	57.4	26%	0.257	31%	0.312	S	S	.	.	S	Bend	trans	-131.6	155.1	178.3	176.6	47.8	0	0	0	111	D244 E245 F251	D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact OD2-N 2.93Å; D242-E245 HydrophobicContact CB-CB 4.42Å; D242-E245 VanDerWaalsContact O-CB 3.27Å; D242-E245 WeakPolarHBondContact O-CB 3.49Å; D242-E245 PolarHBondContact O-N 3.21Å; D242-F251 HydrophobicContact CB-CD2 4.08Å; D242-F251 HydrophobicContact CB-CE2 4.32Å
243	G	71.3	Confident	83	Confident	75 Å²	75	51.7 Å²	51.7	77%	0.773	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.5	-179.2	0	0	0	0	0	114.1
244	D	70.6	Confident	82.6	Confident	156 Å²	156	55.2 Å²	55.2	83%	0.834	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	12.7	179.1	-65	-36.4	0	0	0	112.1	D242 D246	D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact OD2-N 2.93Å; D244-D246 PolarHBondContact O-N 3Å
245	E	81.2	Confident	81.8	Confident	16 Å²	16	57.2 Å²	57.2	8%	0.075	32%	0.315	C	S	.	.			trans	-62.3	131.2	178.3	-174.4	-179.2	179.1	0	0	111.8	R238 F240 I241 D242 V247 G250 F251	R238-E245 IonicContact CZ-OE1 3.64Å; R238-E245 IonicContact NH1-OE1 3.91Å; R238-E245 PolarHBondContact NH1-OE1 3.06Å; R238-E245 IonicContact NH1-OE2 3.38Å; R238-E245 IonicContact NH2-OE1 3.45Å; R238-E245 PolarHBondContact NH2-OE1 3.48Å; R238-E245 IonicContact NH2-OE2 2.88Å; F240-E245 VanDerWaalsContact CA-OE2 3.23Å; F240-E245 WeakPolarHBondContact CA-OE2 3.35Å; F240-E245 HydrophobicContact CD1-CB 4.23Å; F240-E245 HydrophobicContact CD1-CG 4.47Å; I241-E245 PolarHBondContact N-OE2 3.36Å; D242-E245 HydrophobicContact CB-CB 4.42Å; D242-E245 VanDerWaalsContact O-CB 3.27Å; D242-E245 WeakPolarHBondContact O-CB 3.49Å; D242-E245 PolarHBondContact O-N 3.21Å; E245-V247 PolarHBondContact O-N 3.32Å; E245-G250 VanDerWaalsContact OE1-C 3.25Å; E245-G250 WeakPolarHBondContact OE1-CA 3.42Å; E245-F251 HydrophobicContact CG-CB 4.08Å; E245-F251 PolarHBondContact OE1-N 2.87Å
246	D	81.4	Confident	81.1	Confident	83 Å²	83	66 Å²	66	44%	0.444	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-66.1	131.5	173.9	-172.8	-68.1	0	0	0	110.4	D244 D248 E249 G250	D244-D246 PolarHBondContact O-N 3Å; D246-D248 VanDerWaalsContact C-N 3.3Å; D246-D248 PolarHBondContact O-N 3.44Å; D246-D248 WeakPolarHBondContact OD1-CA 3.27Å; D246-D248 PolarHBondContact OD1-N 2.95Å; D246-E249 HydrophobicContact CB-CB 3.96Å; D246-E249 PolarHBondContact OD1-N 3.13Å; D246-G250 VanDerWaalsContact O-CA 3.27Å; D246-G250 WeakPolarHBondContact O-CA 3.42Å; D246-G250 PolarHBondContact O-N 3.43Å
247	V	74	Confident	80.2	Confident	95 Å²	95	67.7 Å²	67.7	58%	0.576	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.2	-174.8	-179.4	0	0	0	0	111.9	F240 E245	F240-V247 HydrophobicContact CE1-CB 4.5Å; F240-V247 HydrophobicContact CE1-CG2 4.01Å; F240-V247 HydrophobicContact CZ-CG2 4.19Å; E245-V247 PolarHBondContact O-N 3.32Å
248	D	73.5	Confident	79.8	Confident	144 Å²	144	63.8 Å²	63.8	77%	0.77	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-36.3	-174.6	-66.4	-37.9	0	0	0	111.5	D246	D246-D248 VanDerWaalsContact C-N 3.3Å; D246-D248 PolarHBondContact O-N 3.44Å; D246-D248 WeakPolarHBondContact OD1-CA 3.27Å; D246-D248 PolarHBondContact OD1-N 2.95Å
249	E	76.8	Confident	79.6	Confident	94 Å²	94	61.6 Å²	61.6	44%	0.439	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-13.9	-175.4	-61.3	-72.3	147.2	0	0	113.4	D246 R261	D246-E249 HydrophobicContact CB-CB 3.96Å; D246-E249 PolarHBondContact OD1-N 3.13Å; E249-R261 WeakPolarHBondContact O-CD 3.35Å; E249-R261 WeakPolarHBondContact O-CG 3.39Å; E249-R261 PolarHBondContact O-NE 3.35Å; E249-R261 IonicContact OE2-CZ 3.72Å; E249-R261 IonicContact OE2-NH1 3.19Å; E249-R261 IonicContact OE2-NH2 2.6Å; E249-R261 PolarHBondContact OE2-NH2 2.85Å
250	G	85.2	Confident	79.7	Confident	4 Å²	4	60.6 Å²	60.6	4%	0.041	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	66.4	-165.2	-179.4	0	0	0	0	0	114.7	E245 D246	E245-G250 VanDerWaalsContact OE1-C 3.25Å; E245-G250 WeakPolarHBondContact OE1-CA 3.42Å; D246-G250 VanDerWaalsContact O-CA 3.27Å; D246-G250 WeakPolarHBondContact O-CA 3.42Å; D246-G250 PolarHBondContact O-N 3.43Å
251	F	86.7	Confident	80	Confident	7 Å²	7	57.6 Å²	57.6	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.4	-176.3	-179.9	-105.1	0	0	0	110.6	I241 D242 E245 V253 R261 L262 E423 I426	I241-F251 HydrophobicContact CB-CB 4.1Å; I241-F251 HydrophobicContact CB-CG 4.35Å; I241-F251 HydrophobicContact CD1-CB 3.93Å; I241-F251 HydrophobicContact CG2-CB 4.27Å; I241-F251 HydrophobicContact CG2-CD1 4.17Å; I241-F251 HydrophobicContact CG2-CD2 4.38Å; I241-F251 HydrophobicContact CG2-CG 3.99Å; D242-F251 HydrophobicContact CB-CD2 4.08Å; D242-F251 HydrophobicContact CB-CE2 4.32Å; E245-F251 HydrophobicContact CG-CB 4.08Å; E245-F251 PolarHBondContact OE1-N 2.87Å; F251-V253 HydrophobicContact CD1-CG2 4.04Å; F251-V253 HydrophobicContact CE1-CG2 3.35Å; F251-V253 HydrophobicContact CZ-CG2 4.04Å; F251-R261 CarbonylContact O-C 3.54Å; F251-R261 WeakPolarHBondContact O-CA 3.4Å; F251-L262 HydrophobicContact CB-CB 4.37Å; F251-L262 HydrophobicContact CD1-CB 4.39Å; F251-L262 HydrophobicContact CD1-CD1 4.27Å; F251-L262 PolarHBondContact N-O 2.74Å; F251-L262 PolarHBondContact O-N 3.49Å; F251-E423 HydrophobicContact CD2-CG 4.37Å; F251-E423 HydrophobicContact CE1-CG 4.24Å; F251-E423 HydrophobicContact CE2-CG 3.31Å; F251-E423 HydrophobicContact CZ-CG 3.23Å; F251-I426 HydrophobicContact CD1-CG2 4.4Å; F251-I426 HydrophobicContact CE1-CB 4.43Å; F251-I426 HydrophobicContact CE1-CD1 4.48Å; F251-I426 HydrophobicContact CE1-CG2 3.86Å
252	V	87.4	Confident	80.5	Confident	55 Å²	55	57.5 Å²	57.5	33%	0.333	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.5	-173.4	178.9	0	0	0	0	111	L295	V252-L295 HydrophobicContact CG1-CD1 3.53Å; V252-L295 HydrophobicContact CG1-CD2 4.23Å; V252-L295 HydrophobicContact CG1-CG 4.48Å
253	V	84.5	Confident	81.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.6	168.8	-176.6	0	0	0	0	107.8	F251 G259 L260 I426 R427 W430	F251-V253 HydrophobicContact CD1-CG2 4.04Å; F251-V253 HydrophobicContact CE1-CG2 3.35Å; F251-V253 HydrophobicContact CZ-CG2 4.04Å; V253-G259 CarbonylContact O-C 3.4Å; V253-G259 WeakPolarHBondContact O-CA 3.42Å; V253-L260 PolarHBondContact N-O 3Å; V253-L260 PolarHBondContact O-N 3.37Å; V253-I426 HydrophobicContact CG2-CG2 4.1Å; V253-R427 HydrophobicContact CG1-CG 4.21Å; V253-R427 HydrophobicContact CG2-CG 4.13Å; V253-W430 HydrophobicContact CG1-CD2 3.93Å; V253-W430 HydrophobicContact CG1-CE3 3.86Å; V253-W430 HydrophobicContact CG1-CG 4.23Å; V253-W430 HydrophobicContact CG1-CZ3 4.47Å
254	N	81.7	Confident	82.2	Confident	79 Å²	79	52.1 Å²	52.1	42%	0.422	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.6	177.6	-175.7	-17.2	0	0	0	109.7	L295 E298	N254-L295 HydrophobicContact CB-CD1 4.4Å; N254-E298 VanDerWaalsContact CG-OE1 3.24Å; N254-E298 PolarHBondContact ND2-OE1 3.27Å
255	Q	73.9	Confident	83.2	Confident	43 Å²	43	44.7 Å²	44.7	20%	0.201	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.5	171.5	-63	-176.2	25.3	0	0	111.2	G257 V258 W430 R431	Q255-G257 PolarHBondContact O-N 3.41Å; Q255-V258 PolarHBondContact N-O 3.36Å; Q255-V258 PolarHBondContact O-N 2.93Å; Q255-W430 HydrophobicContact CB-CH2 4.24Å; Q255-W430 HydrophobicContact CB-CZ3 3.92Å; Q255-W430 HydrophobicContact CG-CZ3 4.23Å; Q255-R431 VanDerWaalsContact CD-NE 3.25Å
256	E	72.6	Confident	83.6	Confident	197 Å²	197	45.7 Å²	45.7	92%	0.921	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	28.5	172.6	-56.8	-174.1	175.5	0	0	113.8
257	G	72.7	Confident	83.7	Confident	41 Å²	41	42.5 Å²	42.5	42%	0.423	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	15.7	-179.8	0	0	0	0	0	114.3	Q255 E298 G299	Q255-G257 PolarHBondContact O-N 3.41Å; G257-E298 CarbonylContact O-C 3.51Å; G257-E298 WeakPolarHBondContact O-CA 3.36Å; G257-E298 WeakPolarHBondContact O-CB 2.91Å; G257-E298 WeakPolarHBondContact O-CG 3.4Å; G257-G299 PolarHBondContact O-N 3.28Å
258	V	80.8	Confident	83.3	Confident	20 Å²	20	43.4 Å²	43.4	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	170.4	-168.6	0	0	0	0	108.6	Q255 E298 N301 W430	Q255-V258 PolarHBondContact N-O 3.36Å; Q255-V258 PolarHBondContact O-N 2.93Å; V258-E298 VanDerWaalsContact C-OE2 3.25Å; V258-N301 HydrophobicContact CG1-CB 3.42Å; V258-N301 VanDerWaalsContact CG1-CB 3.42Å; V258-W430 HydrophobicContact CB-CH2 4.09Å; V258-W430 HydrophobicContact CB-CZ2 4.06Å; V258-W430 HydrophobicContact CG1-CH2 4.31Å; V258-W430 HydrophobicContact CG1-CZ2 3.79Å; V258-W430 VanDerWaalsContact O-CH2 3.27Å; V258-W430 WeakPolarHBondContact O-CH2 3.37Å; V258-W430 WeakPolarHBondContact O-CZ2 3.45Å
259	G	84.3	Confident	82.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	163.3	-172.4	0	0	0	0	0	113.9	V253 L295 E298 N301	V253-G259 CarbonylContact O-C 3.4Å; V253-G259 WeakPolarHBondContact O-CA 3.42Å; G259-L295 PolarHBondContact O-N 3.49Å; G259-E298 WeakPolarHBondContact CA-OE2 3.3Å; G259-E298 PolarHBondContact N-OE2 2.85Å; G259-N301 PolarHBondContact O-ND2 2.91Å
260	L	88.7	Confident	81	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.6	-165.9	-179.3	73.6	0	0	0	108.9	V253 L262 A292 E293 Q302 V303	V253-L260 PolarHBondContact N-O 3Å; V253-L260 PolarHBondContact O-N 3.37Å; L260-L262 HydrophobicContact CD2-CD1 4.37Å; L260-L262 HydrophobicContact CD2-CD2 3.5Å; L260-L262 VanDerWaalsContact CD2-CD2 3.5Å; L260-L262 HydrophobicContact CD2-CG 3.89Å; L260-L262 HydrophobicContact CG-CD2 4.01Å; L260-L262 HydrophobicContact CG-CG 4.33Å; L260-A292 HydrophobicContact CD1-CB 4.14Å; L260-E293 WeakPolarHBondContact CD1-O 3.31Å; L260-Q302 VanDerWaalsContact CD2-NE2 3.32Å; L260-V303 HydrophobicContact CD1-CB 4.21Å; L260-V303 HydrophobicContact CD1-CG2 3.4Å; L260-V303 VanDerWaalsContact CD1-CG2 3.4Å
261	R	91.4	Very high	78.9	Confident	30 Å²	30	41.5 Å²	41.5	11%	0.113	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.6	165.4	177.9	-178.5	-60.1	168.8	-0.9	110.3	E249 F251 A292 E293 L295	E249-R261 WeakPolarHBondContact O-CD 3.35Å; E249-R261 WeakPolarHBondContact O-CG 3.39Å; E249-R261 PolarHBondContact O-NE 3.35Å; E249-R261 IonicContact OE2-CZ 3.72Å; E249-R261 IonicContact OE2-NH1 3.19Å; E249-R261 IonicContact OE2-NH2 2.6Å; E249-R261 PolarHBondContact OE2-NH2 2.85Å; F251-R261 CarbonylContact O-C 3.54Å; F251-R261 WeakPolarHBondContact O-CA 3.4Å; R261-A292 WeakPolarHBondContact O-CA 3.31Å; R261-E293 HydrophobicContact CB-CG 3.82Å; R261-E293 VanDerWaalsContact CD-OE1 3.24Å; R261-E293 WeakPolarHBondContact CD-OE1 3.46Å; R261-E293 HydrophobicContact CG-CG 4.22Å; R261-E293 IonicContact CZ-OE1 3.2Å; R261-E293 PolarHBondContact N-O 2.92Å; R261-E293 IonicContact NE-OE1 3.62Å; R261-E293 IonicContact NH1-OE1 2.56Å; R261-E293 PolarHBondContact NH1-OE1 3.1Å; R261-E293 PolarHBondContact O-N 3.14Å; R261-L295 HydrophobicContact CB-CD2 3.93Å
262	L	92.8	Very high	76.7	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.4	171.8	-60.5	-178.5	0	0	0	110.4	I241 F251 L260 V290 I291 A292 I426	I241-L262 HydrophobicContact CD1-CB 3.6Å; F251-L262 HydrophobicContact CB-CB 4.37Å; F251-L262 HydrophobicContact CD1-CB 4.39Å; F251-L262 HydrophobicContact CD1-CD1 4.27Å; F251-L262 PolarHBondContact N-O 2.74Å; F251-L262 PolarHBondContact O-N 3.49Å; L260-L262 HydrophobicContact CD2-CD1 4.37Å; L260-L262 HydrophobicContact CD2-CD2 3.5Å; L260-L262 VanDerWaalsContact CD2-CD2 3.5Å; L260-L262 HydrophobicContact CD2-CG 3.89Å; L260-L262 HydrophobicContact CG-CD2 4.01Å; L260-L262 HydrophobicContact CG-CG 4.33Å; L262-V290 HydrophobicContact CB-CG1 4.4Å; L262-V290 HydrophobicContact CD2-CG1 4.16Å; L262-I291 CarbonylContact C-O 3.6Å; L262-I291 VanDerWaalsContact CA-O 3.27Å; L262-I291 WeakPolarHBondContact CA-O 3.27Å; L262-A292 HydrophobicContact CD2-CB 3.59Å; L262-I426 HydrophobicContact CD1-CD1 4.14Å; L262-I426 HydrophobicContact CD1-CG1 4.43Å; L262-I426 HydrophobicContact CD1-CG2 3.42Å; L262-I426 VanDerWaalsContact CD1-CG2 3.42Å
263	T	93.1	Very high	74.3	Confident	10 Å²	10	49.3 Å²	49.3	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.6	174.4	-51.4	0	0	0	0	107.6	I227 V290 I291	I227-T263 HydrophobicContact CD1-CG2 3.73Å; I227-T263 HydrophobicContact CG1-CG2 3.68Å; T263-V290 CarbonylContact O-C 3.56Å; T263-V290 WeakPolarHBondContact O-CA 3.48Å; T263-I291 PolarHBondContact N-O 2.8Å; T263-I291 WeakPolarHBondContact O-CD1 3.45Å; T263-I291 PolarHBondContact O-N 2.7Å
264	A	92.7	Very high	71.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.8	-176.8	0	0	0	0	0	112.2	R238 F239 I241 F289 V290 F421	R238-A264 WeakPolarHBondContact CD-O 3.31Å; R238-A264 VanDerWaalsContact NH1-N 3.17Å; R238-A264 PolarHBondContact NH1-O 3.02Å; F239-A264 HydrophobicContact CB-CB 4.21Å; F239-A264 HydrophobicContact CD1-CB 4.09Å; F239-A264 PolarHBondContact N-O 3.4Å; F239-A264 CarbonylContact O-C 3.52Å; F239-A264 WeakPolarHBondContact O-CB 3.22Å; I241-A264 HydrophobicContact CD1-CB 4.05Å; I241-A264 HydrophobicContact CG1-CB 3.78Å; A264-F289 CarbonylContact C-O 3.56Å; A264-F289 VanDerWaalsContact CA-O 3.29Å; A264-F289 WeakPolarHBondContact CA-O 3.45Å; A264-V290 HydrophobicContact CB-CG2 4.26Å; A264-F421 HydrophobicContact CB-CD2 4.31Å; A264-F421 HydrophobicContact CB-CE2 3.66Å; A264-F421 HydrophobicContact CB-CZ 4.29Å
265	M	91.9	Very high	69.6	Low	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.3	171	59.3	175.7	115.6	0	0	110.4	V226 I227 Y230 F236 Q237 K288 F289 I291	V226-M265 HydrophobicContact CG1-CE 4.21Å; I227-M265 HydrophobicContact CD1-CB 3.78Å; I227-M265 HydrophobicContact CD1-CE 3.55Å; I227-M265 HydrophobicContact CD1-CG 4.05Å; I227-M265 HydrophobicContact CD1-SD 4.15Å; I227-M265 HydrophobicContact CG1-CE 4.14Å; Y230-M265 WeakPolarHBondContact CB-SD 3.22Å; Y230-M265 HydrophobicContact CD2-CE 3.4Å; Y230-M265 VanDerWaalsContact CD2-CE 3.4Å; Y230-M265 HydrophobicContact CD2-SD 3.93Å; Y230-M265 HydrophobicContact CE2-CE 4.16Å; Y230-M265 HydrophobicContact CG-CE 3.91Å; Y230-M265 HydrophobicContact CG-SD 3.77Å; F236-M265 HydrophobicContact CB-CB 4.4Å; F236-M265 HydrophobicContact CB-CG 4.44Å; F236-M265 HydrophobicContact CB-SD 3.76Å; F236-M265 HydrophobicContact CD1-CB 4.27Å; F236-M265 HydrophobicContact CD1-CG 3.73Å; F236-M265 HydrophobicContact CD1-SD 3.61Å; F236-M265 HydrophobicContact CE1-SD 4.47Å; F236-M265 HydrophobicContact CG-CG 4.49Å; F236-M265 HydrophobicContact CG-SD 3.91Å; Q237-M265 CarbonylContact O-C 3.55Å; Q237-M265 WeakPolarHBondContact O-CA 3.45Å; Q237-M265 WeakPolarHBondContact O-CB 3.34Å; M265-K288 CarbonylContact O-C 3.56Å; M265-K288 VanDerWaalsContact O-CA 3.31Å; M265-K288 WeakPolarHBondContact O-CA 3.23Å; M265-F289 HydrophobicContact CE-CB 4.38Å; M265-F289 HydrophobicContact CG-CB 3.8Å; M265-F289 PolarHBondContact N-O 2.9Å; M265-F289 PolarHBondContact O-N 3.02Å; M265-F289 HydrophobicContact SD-CB 4.43Å; M265-F289 HydrophobicContact SD-CD2 4.45Å; M265-I291 HydrophobicContact CE-CD1 3.4Å
266	Q	89.7	Confident	67.6	Low	37 Å²	37	57 Å²	57	17%	0.173	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146	175.7	68.6	175.2	21.9	0	0	110.7	Q237 F239 K288	Q237-Q266 PolarHBondContact N-O 2.98Å; Q237-Q266 PolarHBondContact O-N 3.39Å; F239-Q266 HydrophobicContact CB-CB 4.28Å; F239-Q266 HydrophobicContact CB-CG 4.2Å; F239-Q266 HydrophobicContact CD2-CB 4.34Å; F239-Q266 VanDerWaalsContact CD2-CD 3.49Å; F239-Q266 HydrophobicContact CD2-CG 4.03Å; F239-Q266 VanDerWaalsContact CE2-OE1 3.29Å; Q266-K288 HydrophobicContact CB-CG 4.04Å
267	Y	83.7	Confident	65.8	Low	16 Å²	16	52.6 Å²	52.6	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.9	166.9	-179.5	-102.4	0	0	0	109.6	L16 F234 F236 K269 C287	L16-Y267 HydrophobicContact CB-CD1 4.46Å; L16-Y267 HydrophobicContact CB-CE1 3.89Å; L16-Y267 HydrophobicContact CB-CE2 4.25Å; L16-Y267 HydrophobicContact CG-CE2 4.42Å; L16-Y267 PolarHBondContact N-OH 2.85Å; L16-Y267 VanDerWaalsContact O-CE1 3.23Å; L16-Y267 WeakPolarHBondContact O-CE1 3.17Å; L16-Y267 PolarHBondContact O-OH 2.95Å; F234-Y267 WeakPolarHBondContact O-CE2 3.29Å; F236-Y267 AromaticContact CD2-CD2 3.94Å; F236-Y267 HydrophobicContact CD2-CD2 3.94Å; F236-Y267 HydrophobicContact CD2-CG 4.42Å; F236-Y267 AromaticContact CE2-CD2 3.97Å; F236-Y267 HydrophobicContact CE2-CD2 3.97Å; F236-Y267 HydrophobicContact CE2-CG 4.16Å; F236-Y267 HydrophobicContact CZ-CG 4.38Å; Y267-K269 HydrophobicContact CE1-CG 4.04Å; Y267-C287 PolarHBondContact N-O 3.19Å
268	W	66.3	Low	63.9	Low	114 Å²	114	55.8 Å²	55.8	43%	0.432	34%	0.335	S	S	.	.			trans	-109.6	124.6	176.9	-172	-99.8	0	0	0	111.2	C270 D286	W268-C270 VanDerWaalsContact C-N 3.26Å; W268-C270 VanDerWaalsContact CD1-CB 3.46Å; W268-C270 VanDerWaalsContact CD1-N 3.25Å; W268-C270 PolarHBondContact NE1-SG 3.03Å; W268-C270 VanDerWaalsContact NE1-SG 3.36Å; W268-C270 PolarHBondContact O-N 2.9Å; W268-D286 VanDerWaalsContact CZ3-OD2 3.24Å; W268-D286 WeakPolarHBondContact CZ3-OD2 3.42Å
269	K	56.9	Low	61.7	Low	66 Å²	66	62.5 Å²	62.5	29%	0.287	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-65.6	-20.2	-175.9	-67.9	-178.3	-179.7	-169.1	0	114.6	R17 Y267 S271 E284	R17-K269 WeakPolarHBondContact O-CE 3.24Å; R17-K269 PolarHBondContact O-NZ 3.04Å; Y267-K269 HydrophobicContact CE1-CG 4.04Å; K269-S271 PolarHBondContact O-N 2.81Å; K269-S271 VanDerWaalsContact O-N 3.09Å; K269-E284 VanDerWaalsContact NZ-CB 3.3Å; K269-E284 IonicContact NZ-OE2 3.6Å; K269-E284 PolarHBondContact NZ-OE2 2.94Å
270	C	44.1	Very low	59.5	Low	64 Å²	64	67.3 Å²	67.3	43%	0.432	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-81.1	25.8	-179.5	-55.1	0	0	0	0	114.7	W268	W268-C270 VanDerWaalsContact C-N 3.26Å; W268-C270 VanDerWaalsContact CD1-CB 3.46Å; W268-C270 VanDerWaalsContact CD1-N 3.25Å; W268-C270 PolarHBondContact NE1-SG 3.03Å; W268-C270 VanDerWaalsContact NE1-SG 3.36Å; W268-C270 PolarHBondContact O-N 2.9Å
271	S	41	Very low	57.1	Low	72 Å²	72	72.9 Å²	72.9	50%	0.503	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-80.8	0.4	167.7	62.4	0	0	0	0	113.3	K269 A273	K269-S271 PolarHBondContact O-N 2.81Å; K269-S271 VanDerWaalsContact O-N 3.09Å; S271-A273 PolarHBondContact O-N 2.96Å
272	K	40.4	Very low	54.9	Low	140 Å²	140	77.1 Å²	77.1	61%	0.609	45%	0.453	S	S	*	.	S	Bend	trans	-65.4	79.6	163.2	-89.3	-176.5	179.6	170.6	0	110.1	E130 G274	E130-K272 IonicContact OE1-NZ 3.02Å; K272-G274 PolarHBondContact O-N 3.49Å
273	A	36.5	Very low	52.7	Low	85 Å²	85	85.5 Å²	85.5	70%	0.702	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	59	153.7	0	0	0	0	0	116.8	S271 I275	S271-A273 PolarHBondContact O-N 2.96Å; A273-I275 PolarHBondContact O-N 3.07Å
274	G	34	Very low	50.8	Low	85 Å²	85	88.4 Å²	88.4	88%	0.876	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	16.9	165	0	0	0	0	0	115.6	K272	K272-G274 PolarHBondContact O-N 3.49Å
275	I	33.5	Very low	49.1	Very low	109 Å²	109	91.2 Å²	91.2	56%	0.559	52%	0.52	S	S	*	.			trans	-97	105	170.9	-62.7	167.6	0	0	0	105	A273 L277	A273-I275 PolarHBondContact O-N 3.07Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.86Å
276	A	32.8	Very low	48.2	Very low	91 Å²	91	93.8 Å²	93.8	75%	0.752	53%	0.533	S	S	*	.			trans	-57.5	107.3	154.5	0	0	0	0	0	105.8
277	L	34.1	Very low	47.9	Very low	104 Å²	104	92.7 Å²	92.7	55%	0.545	53%	0.53	S	S	.	.			trans	-59	128.5	168.8	-71.3	169	0	0	0	105.9	I275 F279	I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.86Å; L277-F279 WeakPolarHBondContact CB-O 3.23Å; L277-F279 PolarHBondContact O-N 2.85Å
278	P	33.2	Very low	48.3	Very low	107 Å²	107	92.7 Å²	92.7	70%	0.695	53%	0.53	S	S	*	.	S	Bend	trans	-63.8	-5.1	-179	24	-31.4	0	0	0	112.8
279	F	35.4	Very low	49.6	Very low	162 Å²	162	87.2 Å²	87.2	71%	0.711	51%	0.51	S	S	*	.	S	Bend	trans	-132.2	122.1	169.6	-56.2	-75.7	0	0	0	107.9	L277 D281	L277-F279 WeakPolarHBondContact CB-O 3.23Å; L277-F279 PolarHBondContact O-N 2.85Å; F279-D281 PolarHBondContact O-N 3.02Å
280	P	37.9	Very low	51.5	Low	101 Å²	101	84.4 Å²	84.4	66%	0.656	50%	0.498	S	S	*	.			trans	-61	126.2	165.7	25.3	-29	0	0	0	106.8	V282	P280-V282 HydrophobicContact CB-CG2 3.51Å; P280-V282 HydrophobicContact CG-CG2 3.51Å; P280-V282 WeakPolarHBondContact O-CG2 3.46Å; P280-V282 PolarHBondContact O-N 3.11Å
281	D	38.8	Very low	53.9	Low	124 Å²	124	81.4 Å²	81.4	66%	0.663	48%	0.477	S	S	*	.			trans	-77.2	71.6	168.9	-149.3	-3	0	0	0	106.7	F279 K283	F279-D281 PolarHBondContact O-N 3.02Å; D281-K283 PolarHBondContact O-N 3Å
282	V	45	Very low	56.5	Low	119 Å²	119	78 Å²	78	72%	0.721	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-3.2	-172.9	-175.4	0	0	0	0	112.3	P280 E284	P280-V282 HydrophobicContact CB-CG2 3.51Å; P280-V282 HydrophobicContact CG-CG2 3.51Å; P280-V282 WeakPolarHBondContact O-CG2 3.46Å; P280-V282 PolarHBondContact O-N 3.11Å; V282-E284 PolarHBondContact O-N 2.92Å
283	K	45.4	Very low	59	Low	189 Å²	189	71.4 Å²	71.4	82%	0.822	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.2	-162.9	-77.4	-171.5	174.7	-175.6	0	115.7	D281	D281-K283 PolarHBondContact O-N 3Å
284	E	53.4	Low	61.6	Low	72 Å²	72	67.5 Å²	67.5	34%	0.336	39%	0.392	S	S	.	.	S	Bend	trans	-127.1	131	-177.3	-73.1	-176.7	179.7	0	0	111.1	R18 K269 V282	R18-E284 WeakPolarHBondContact CB-OE2 3.34Å; K269-E284 VanDerWaalsContact NZ-CB 3.3Å; K269-E284 IonicContact NZ-OE2 3.6Å; K269-E284 PolarHBondContact NZ-OE2 2.94Å; V282-E284 PolarHBondContact O-N 2.92Å
285	P	57.8	Low	64.2	Low	58 Å²	58	64 Å²	64	38%	0.377	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-66.3	145	-174	28.1	-35.2	0	0	0	111.6	H210	H210-P285 HydrophobicContact CB-CG 3.91Å; H210-P285 WeakPolarHBondContact CD2-CB 3.46Å; H210-P285 WeakPolarHBondContact CD2-CG 3.19Å; H210-P285 WeakPolarHBondContact NE2-CB 3.31Å
286	D	72.1	Confident	66.4	Low	54 Å²	54	61.3 Å²	61.3	29%	0.289	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.5	140.1	173.1	-65.4	-39.8	0	0	0	110.1	W268	W268-D286 VanDerWaalsContact CZ3-OD2 3.24Å; W268-D286 WeakPolarHBondContact CZ3-OD2 3.42Å
287	C	83.6	Confident	68.3	Low	15 Å²	15	66 Å²	66	10%	0.101	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.6	173.7	-175.4	0	0	0	0	108.8	Y267 F289	Y267-C287 PolarHBondContact N-O 3.19Å; C287-F289 VanDerWaalsContact SG-CE1 3.51Å; C287-F289 VanDerWaalsContact SG-CZ 3.6Å
288	K	91.6	Very high	70.3	Confident	15 Å²	15	63 Å²	63	7%	0.065	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.3	176.5	-59.7	179	-176.4	172.4	0	111.1	H213 I214 M265 Q266 T419 F421	H213-K288 WeakPolarHBondContact CA-O 3.46Å; H213-K288 HydrophobicContact CB-CB 3.83Å; H213-K288 VanDerWaalsContact CB-O 3.31Å; H213-K288 WeakPolarHBondContact CB-O 3.37Å; I214-K288 PolarHBondContact N-O 2.87Å; M265-K288 CarbonylContact O-C 3.56Å; M265-K288 VanDerWaalsContact O-CA 3.31Å; M265-K288 WeakPolarHBondContact O-CA 3.23Å; Q266-K288 HydrophobicContact CB-CG 4.04Å; K288-T419 PolarHBondContact NZ-O 3.38Å; K288-F421 HydrophobicContact CB-CZ 3.96Å; K288-F421 HydrophobicContact CD-CE2 4.22Å; K288-F421 HydrophobicContact CD-CZ 3.79Å; K288-F421 HydrophobicContact CG-CZ 4.49Å
289	F	94.9	Very high	72.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.9	171.9	-63.1	-30.1	0	0	0	111.2	V125 F127 I214 Y216 Y230 F236 A264 M265 C287	V125-F289 HydrophobicContact CG1-CZ 4.31Å; F127-F289 HydrophobicContact CE1-CZ 4.06Å; F127-F289 AromaticContact CZ-CE2 3.92Å; F127-F289 HydrophobicContact CZ-CE2 3.92Å; F127-F289 AromaticContact CZ-CZ 3.6Å; F127-F289 HydrophobicContact CZ-CZ 3.6Å; I214-F289 HydrophobicContact CB-CD1 3.74Å; I214-F289 HydrophobicContact CB-CE1 3.8Å; I214-F289 HydrophobicContact CD1-CE1 4.07Å; I214-F289 HydrophobicContact CG1-CD1 4.47Å; I214-F289 HydrophobicContact CG1-CE1 4.1Å; I214-F289 VanDerWaalsContact O-CA 3.27Å; I214-F289 WeakPolarHBondContact O-CA 3.44Å; Y216-F289 HydrophobicContact CD2-CB 4.41Å; Y216-F289 HydrophobicContact CE2-CB 4Å; Y216-F289 HydrophobicContact CE2-CD1 4.09Å; Y216-F289 HydrophobicContact CE2-CD2 4.01Å; Y216-F289 AromaticContact CE2-CG 3.78Å; Y216-F289 HydrophobicContact CE2-CG 3.78Å; Y230-F289 HydrophobicContact CD1-CD2 4.17Å; Y230-F289 HydrophobicContact CD1-CE2 4.08Å; Y230-F289 AromaticContact CE1-CD2 3.94Å; Y230-F289 HydrophobicContact CE1-CD2 3.94Å; Y230-F289 AromaticContact CE1-CE2 3.63Å; Y230-F289 HydrophobicContact CE1-CE2 3.63Å; Y230-F289 HydrophobicContact CE2-CD2 4.49Å; F236-F289 HydrophobicContact CD1-CD2 4.18Å; F236-F289 AromaticContact CE1-CD2 3.46Å; F236-F289 HydrophobicContact CE1-CD2 3.46Å; F236-F289 VanDerWaalsContact CE1-CD2 3.46Å; F236-F289 AromaticContact CE1-CE2 3.61Å; F236-F289 HydrophobicContact CE1-CE2 3.61Å; F236-F289 HydrophobicContact CE1-CG 4.14Å; F236-F289 HydrophobicContact CE1-CZ 4.38Å; F236-F289 HydrophobicContact CE2-CE2 4.43Å; F236-F289 AromaticContact CZ-CD2 3.85Å; F236-F289 HydrophobicContact CZ-CD2 3.85Å; F236-F289 AromaticContact CZ-CE2 3.48Å; F236-F289 HydrophobicContact CZ-CE2 3.48Å; F236-F289 VanDerWaalsContact CZ-CE2 3.48Å; F236-F289 HydrophobicContact CZ-CZ 4.17Å; A264-F289 CarbonylContact C-O 3.56Å; A264-F289 VanDerWaalsContact CA-O 3.29Å; A264-F289 WeakPolarHBondContact CA-O 3.45Å; M265-F289 HydrophobicContact CE-CB 4.38Å; M265-F289 HydrophobicContact CG-CB 3.8Å; M265-F289 PolarHBondContact N-O 2.9Å; M265-F289 PolarHBondContact O-N 3.02Å; M265-F289 HydrophobicContact SD-CB 4.43Å; M265-F289 HydrophobicContact SD-CD2 4.45Å; C287-F289 VanDerWaalsContact SG-CE1 3.51Å; C287-F289 VanDerWaalsContact SG-CZ 3.6Å
290	V	95.3	Very high	74.5	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.4	174.4	-175.4	0	0	0	0	108.1	I214 T215 Y216 L262 T263 A264 F421	I214-V290 PolarHBondContact O-N 3.02Å; T215-V290 CarbonylContact C-O 3.54Å; T215-V290 VanDerWaalsContact CA-O 3.29Å; T215-V290 WeakPolarHBondContact CA-O 3.06Å; T215-V290 HydrophobicContact CG2-CB 4.04Å; T215-V290 HydrophobicContact CG2-CG1 4.18Å; Y216-V290 PolarHBondContact N-O 2.77Å; L262-V290 HydrophobicContact CB-CG1 4.4Å; L262-V290 HydrophobicContact CD2-CG1 4.16Å; T263-V290 CarbonylContact O-C 3.56Å; T263-V290 WeakPolarHBondContact O-CA 3.48Å; A264-V290 HydrophobicContact CB-CG2 4.26Å; V290-F421 HydrophobicContact CG2-CD1 4.2Å; V290-F421 HydrophobicContact CG2-CE1 3.49Å; V290-F421 VanDerWaalsContact CG2-CE1 3.49Å; V290-F421 HydrophobicContact CG2-CE2 4.19Å; V290-F421 HydrophobicContact CG2-CZ 3.48Å; V290-F421 VanDerWaalsContact CG2-CZ 3.48Å
291	I	95.9	Very high	76.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	176.2	-62.9	82.4	0	0	0	107	S223 V226 I227 L262 T263 M265	S223-I291 WeakPolarHBondContact OG-CG2 3.39Å; V226-I291 HydrophobicContact CB-CG1 4.17Å; V226-I291 HydrophobicContact CG1-CD1 4.15Å; V226-I291 HydrophobicContact CG1-CG1 3.75Å; I227-I291 HydrophobicContact CD1-CD1 4.04Å; I227-I291 HydrophobicContact CG1-CD1 4.35Å; L262-I291 CarbonylContact C-O 3.6Å; L262-I291 VanDerWaalsContact CA-O 3.27Å; L262-I291 WeakPolarHBondContact CA-O 3.27Å; T263-I291 PolarHBondContact N-O 2.8Å; T263-I291 WeakPolarHBondContact O-CD1 3.45Å; T263-I291 PolarHBondContact O-N 2.7Å; M265-I291 HydrophobicContact CE-CD1 3.4Å
292	A	94.8	Very high	79.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	178.3	0	0	0	0	0	109.6	T215 Y216 S218 L260 R261 L262 V303	T215-A292 HydrophobicContact CG2-CB 4.28Å; Y216-A292 PolarHBondContact O-N 3.33Å; S218-A292 PolarHBondContact N-O 3.39Å; L260-A292 HydrophobicContact CD1-CB 4.14Å; R261-A292 WeakPolarHBondContact O-CA 3.31Å; L262-A292 HydrophobicContact CD2-CB 3.59Å; A292-V303 HydrophobicContact CB-CG2 3.85Å
293	E	93.6	Very high	81.3	Confident	3 Å²	3	40.9 Å²	40.9	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.1	175.7	68.9	176	-155.9	0	0	111.6	K221 S222 S223 L260 R261	K221-E293 WeakPolarHBondContact CA-OE2 3.19Å; K221-E293 VanDerWaalsContact N-CD 3.33Å; K221-E293 PolarHBondContact N-OE1 2.86Å; K221-E293 PolarHBondContact N-OE2 3.45Å; S222-E293 PolarHBondContact N-OE2 3.02Å; S223-E293 PolarHBondContact N-OE2 2.86Å; S223-E293 VanDerWaalsContact N-OE2 3.12Å; S223-E293 VanDerWaalsContact OG-CD 3.32Å; S223-E293 PolarHBondContact OG-OE2 3.02Å; L260-E293 WeakPolarHBondContact CD1-O 3.31Å; R261-E293 HydrophobicContact CB-CG 3.82Å; R261-E293 VanDerWaalsContact CD-OE1 3.24Å; R261-E293 WeakPolarHBondContact CD-OE1 3.46Å; R261-E293 HydrophobicContact CG-CG 4.22Å; R261-E293 IonicContact CZ-OE1 3.2Å; R261-E293 PolarHBondContact N-O 2.92Å; R261-E293 IonicContact NE-OE1 3.62Å; R261-E293 IonicContact NH1-OE1 2.56Å; R261-E293 PolarHBondContact NH1-OE1 3.1Å; R261-E293 PolarHBondContact O-N 3.14Å
294	S	91.1	Very high	83.5	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.5	176.8	-53.5	0	0	0	0	112.6	R220 N301 D304	R220-S294 WeakPolarHBondContact CG-O 3.46Å; S294-N301 WeakPolarHBondContact CA-ND2 3.31Å; S294-N301 VanDerWaalsContact CB-ND2 3.25Å; S294-N301 WeakPolarHBondContact CB-ND2 3.33Å; S294-N301 VanDerWaalsContact OG-CG 3.27Å; S294-N301 PolarHBondContact OG-ND2 3.2Å; S294-N301 PolarHBondContact OG-OD1 3.2Å; S294-D304 WeakPolarHBondContact CB-OD2 3.11Å; S294-D304 PolarHBondContact OG-OD1 2.84Å; S294-D304 PolarHBondContact OG-OD2 2.87Å
295	L	87.4	Confident	85.4	Confident	12 Å²	12	30 Å²	30	6%	0.063	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-74	147.5	172.4	-64.6	176.5	0	0	0	111.5	V252 N254 G259 R261 E298	V252-L295 HydrophobicContact CG1-CD1 3.53Å; V252-L295 HydrophobicContact CG1-CD2 4.23Å; V252-L295 HydrophobicContact CG1-CG 4.48Å; N254-L295 HydrophobicContact CB-CD1 4.4Å; G259-L295 PolarHBondContact O-N 3.49Å; R261-L295 HydrophobicContact CB-CD2 3.93Å; L295-E298 HydrophobicContact CB-CG 4.4Å; L295-E298 WeakPolarHBondContact CB-OE2 3.37Å; L295-E298 WeakPolarHBondContact CD1-OE2 3.42Å
296	P	79.6	Confident	87.1	Confident	52 Å²	52	27.2 Å²	27.2	34%	0.338	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	147.3	176.4	29.1	-32.7	0	0	0	111.3	E298	P296-E298 PolarHBondContact O-N 2.99Å
297	H	72.8	Confident	88.2	Confident	190 Å²	190	26.1 Å²	26.1	88%	0.88	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	15.6	175.8	-50.4	-68.5	0	0	0	116.5
298	E	76.8	Confident	88.7	Confident	42 Å²	42	31 Å²	31	20%	0.196	16%	0.157	C	C	.	.	S	Bend	trans	-105.9	164.3	175.8	-73.8	-176.1	-177	0	0	112.2	N254 G257 V258 G259 L295 P296	N254-E298 VanDerWaalsContact CG-OE1 3.24Å; N254-E298 PolarHBondContact ND2-OE1 3.27Å; G257-E298 CarbonylContact O-C 3.51Å; G257-E298 WeakPolarHBondContact O-CA 3.36Å; G257-E298 WeakPolarHBondContact O-CB 2.91Å; G257-E298 WeakPolarHBondContact O-CG 3.4Å; V258-E298 VanDerWaalsContact C-OE2 3.25Å; G259-E298 WeakPolarHBondContact CA-OE2 3.3Å; G259-E298 PolarHBondContact N-OE2 2.85Å; L295-E298 HydrophobicContact CB-CG 4.4Å; L295-E298 WeakPolarHBondContact CB-OE2 3.37Å; L295-E298 WeakPolarHBondContact CD1-OE2 3.42Å; P296-E298 PolarHBondContact O-N 2.99Å
299	G	74.7	Confident	88.8	Confident	35 Å²	35	32.8 Å²	32.8	36%	0.361	17%	0.166	S	C	.	.			trans	-61	162	176.7	0	0	0	0	0	112.4	G257 N301	G257-G299 PolarHBondContact O-N 3.28Å; G299-N301 PolarHBondContact O-N 2.99Å
300	R	81.1	Confident	88.7	Confident	101 Å²	101	33.2 Å²	33.2	38%	0.381	17%	0.167	S	C	.	.			trans	-64.1	118.8	-177.5	-177.1	179.8	167.8	174.6	-5.6	110.6	D304 T305 E308 R441	R300-D304 HydrophobicContact CG-CB 3.93Å; R300-T305 PolarHBondContact NE-OG1 2.83Å; R300-E308 IonicContact CZ-OE2 3.32Å; R300-E308 IonicContact NE-OE2 3.69Å; R300-E308 IonicContact NH1-OE1 2.68Å; R300-E308 IonicContact NH1-OE2 2.94Å; R300-E308 PolarHBondContact NH1-OE2 2.86Å; R300-E308 IonicContact NH2-OE2 2.87Å; R300-E308 PolarHBondContact NH2-OE2 3.01Å; R300-R441 VanDerWaalsContact NE-NH2 3.13Å
301	N	86.3	Confident	88.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.201	C	C	.	.			trans	-103.7	-172.7	179.9	76.4	16.3	0	0	0	112.2	V258 G259 S294 G299 V303 D304 T305	V258-N301 HydrophobicContact CG1-CB 3.42Å; V258-N301 VanDerWaalsContact CG1-CB 3.42Å; G259-N301 PolarHBondContact O-ND2 2.91Å; S294-N301 WeakPolarHBondContact CA-ND2 3.31Å; S294-N301 VanDerWaalsContact CB-ND2 3.25Å; S294-N301 WeakPolarHBondContact CB-ND2 3.33Å; S294-N301 VanDerWaalsContact OG-CG 3.27Å; S294-N301 PolarHBondContact OG-ND2 3.2Å; S294-N301 PolarHBondContact OG-OD1 3.2Å; G299-N301 PolarHBondContact O-N 2.99Å; N301-V303 WeakPolarHBondContact OD1-CA 3.4Å; N301-V303 WeakPolarHBondContact OD1-CB 3.37Å; N301-V303 PolarHBondContact OD1-N 3.35Å; N301-D304 PolarHBondContact N-OD2 2.68Å; N301-D304 PolarHBondContact O-N 3.44Å; N301-D304 PolarHBondContact OD1-N 3.12Å; N301-D304 PolarHBondContact OD1-OD2 3.45Å; N301-D304 VanDerWaalsContact OD1-OD2 3.09Å; N301-T305 PolarHBondContact O-N 3.33Å; N301-T305 VanDerWaalsContact O-N 3.11Å; N301-T305 PolarHBondContact O-OG1 3.3Å
302	Q	87.6	Confident	88.5	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-68.3	-31.2	178.4	78.6	-66.6	-5.9	0	0	114.6	L260 T305 F306 V433 M437	L260-Q302 VanDerWaalsContact CD2-NE2 3.32Å; Q302-T305 PolarHBondContact O-N 3.08Å; Q302-F306 WeakPolarHBondContact O-CB 3.28Å; Q302-F306 PolarHBondContact O-N 3.07Å; Q302-V433 HydrophobicContact CB-CG1 3.79Å; Q302-V433 HydrophobicContact CG-CG1 4.05Å; Q302-M437 WeakPolarHBondContact CA-SD 3.22Å; Q302-M437 HydrophobicContact CB-CE 3.68Å; Q302-M437 HydrophobicContact CB-SD 3.49Å; Q302-M437 WeakPolarHBondContact CB-SD 3.42Å
303	V	91.6	Very high	88.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72	-40.5	174.3	170.7	0	0	0	0	111	A217 L260 A292 N301 T305 F306 L307	A217-V303 HydrophobicContact CB-CG1 4.33Å; L260-V303 HydrophobicContact CD1-CB 4.21Å; L260-V303 HydrophobicContact CD1-CG2 3.4Å; L260-V303 VanDerWaalsContact CD1-CG2 3.4Å; A292-V303 HydrophobicContact CB-CG2 3.85Å; N301-V303 WeakPolarHBondContact OD1-CA 3.4Å; N301-V303 WeakPolarHBondContact OD1-CB 3.37Å; N301-V303 PolarHBondContact OD1-N 3.35Å; V303-T305 VanDerWaalsContact C-N 3.28Å; V303-T305 PolarHBondContact O-N 2.92Å; V303-F306 WeakPolarHBondContact O-CB 3.39Å; V303-F306 PolarHBondContact O-N 3.47Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4.23Å; V303-L307 WeakPolarHBondContact O-CB 3.37Å; V303-L307 VanDerWaalsContact O-CG 3.24Å; V303-L307 WeakPolarHBondContact O-CG 3.42Å; V303-L307 PolarHBondContact O-N 2.7Å
304	D	92.4	Very high	88.7	Confident	28 Å²	28	43.9 Å²	43.9	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-40.1	174.2	-64	-66.1	0	0	0	110.8	R220 S294 R300 N301 L307 E308	R220-D304 IonicContact CZ-OD1 2.91Å; R220-D304 IonicContact NE-OD1 3.61Å; R220-D304 IonicContact NH2-OD1 3.72Å; R220-D304 PolarHBondContact NH2-OD1 3.07Å; R220-D304 IonicContact NH2-OD2 3.52Å; R220-D304 PolarHBondContact NH2-OD2 3.19Å; S294-D304 WeakPolarHBondContact CB-OD2 3.11Å; S294-D304 PolarHBondContact OG-OD1 2.84Å; S294-D304 PolarHBondContact OG-OD2 2.87Å; R300-D304 HydrophobicContact CG-CB 3.93Å; N301-D304 PolarHBondContact N-OD2 2.68Å; N301-D304 PolarHBondContact O-N 3.44Å; N301-D304 PolarHBondContact OD1-N 3.12Å; N301-D304 PolarHBondContact OD1-OD2 3.45Å; N301-D304 VanDerWaalsContact OD1-OD2 3.09Å; D304-L307 PolarHBondContact O-N 2.82Å; D304-E308 WeakPolarHBondContact O-CB 3.4Å; D304-E308 PolarHBondContact O-N 2.77Å
305	T	91.9	Very high	89	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-46.3	174.7	-53.9	0	0	0	0	111.5	R300 N301 Q302 V303 L307 E308 Q309 D406 M437 R441	R300-T305 PolarHBondContact NE-OG1 2.83Å; N301-T305 PolarHBondContact O-N 3.33Å; N301-T305 VanDerWaalsContact O-N 3.11Å; N301-T305 PolarHBondContact O-OG1 3.3Å; Q302-T305 PolarHBondContact O-N 3.08Å; V303-T305 VanDerWaalsContact C-N 3.28Å; V303-T305 PolarHBondContact O-N 2.92Å; T305-L307 PolarHBondContact O-N 2.89Å; T305-E308 PolarHBondContact O-N 2.93Å; T305-Q309 HydrophobicContact CG2-CG 4.45Å; T305-Q309 WeakPolarHBondContact O-CG 3.34Å; T305-Q309 PolarHBondContact O-N 3.3Å; T305-D406 HydrophobicContact CG2-CB 4.48Å; T305-M437 HydrophobicContact CG2-CE 4Å; T305-M437 HydrophobicContact CG2-SD 4.08Å; T305-R441 PolarHBondContact OG1-NH2 2.88Å
306	F	94.3	Very high	89.4	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-55.2	-53.2	173.4	178	-76.8	0	0	0	110.7	A217 Q302 V303 E308 Q309 H310 V315 Q316 T407	A217-F306 HydrophobicContact CB-CB 4.19Å; A217-F306 HydrophobicContact CB-CD1 3.28Å; A217-F306 HydrophobicContact CB-CD2 4.11Å; A217-F306 HydrophobicContact CB-CE1 3.63Å; A217-F306 HydrophobicContact CB-CE2 4.4Å; A217-F306 HydrophobicContact CB-CG 3.59Å; A217-F306 HydrophobicContact CB-CZ 4.19Å; Q302-F306 WeakPolarHBondContact O-CB 3.28Å; Q302-F306 PolarHBondContact O-N 3.07Å; V303-F306 WeakPolarHBondContact O-CB 3.39Å; V303-F306 PolarHBondContact O-N 3.47Å; F306-E308 VanDerWaalsContact C-N 3.26Å; F306-E308 PolarHBondContact O-N 3.26Å; F306-Q309 PolarHBondContact O-N 2.86Å; F306-H310 HydrophobicContact CD1-CB 3.92Å; F306-H310 HydrophobicContact CE1-CB 3.6Å; F306-H310 AromaticContact CE1-CG 3.57Å; F306-H310 AromaticContact CE1-ND1 3.63Å; F306-H310 HydrophobicContact CZ-CB 3.93Å; F306-H310 AromaticContact CZ-CD2 3.9Å; F306-H310 AromaticContact CZ-CG 3.67Å; F306-H310 AromaticContact CZ-ND1 3.95Å; F306-H310 WeakPolarHBondContact O-CA 3.46Å; F306-H310 WeakPolarHBondContact O-CB 3.38Å; F306-H310 PolarHBondContact O-N 2.99Å; F306-V315 WeakPolarHBondContact CE2-O 3.33Å; F306-Q316 HydrophobicContact CD2-CB 4.28Å; F306-Q316 HydrophobicContact CD2-CG 4.26Å; F306-Q316 HydrophobicContact CE2-CB 4.18Å; F306-T407 HydrophobicContact CD2-CG2 4.29Å; F306-T407 VanDerWaalsContact CD2-O 3.32Å; F306-T407 WeakPolarHBondContact CD2-O 3.35Å; F306-T407 HydrophobicContact CE2-CG2 4.38Å; F306-T407 WeakPolarHBondContact CE2-O 3.31Å
307	L	94.4	Very high	90.3	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-34.3	-174.5	-69.2	172	0	0	0	112.2	P219 V303 D304 T305 R311 G312	P219-L307 HydrophobicContact CG-CD2 4.44Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4.23Å; V303-L307 WeakPolarHBondContact O-CB 3.37Å; V303-L307 VanDerWaalsContact O-CG 3.24Å; V303-L307 WeakPolarHBondContact O-CG 3.42Å; V303-L307 PolarHBondContact O-N 2.7Å; D304-L307 PolarHBondContact O-N 2.82Å; T305-L307 PolarHBondContact O-N 2.89Å; L307-R311 CarbonylContact O-C 3.53Å; L307-R311 VanDerWaalsContact O-CA 3.24Å; L307-R311 WeakPolarHBondContact O-CA 3.41Å; L307-R311 PolarHBondContact O-N 3.46Å; L307-G312 WeakPolarHBondContact CD2-O 3.3Å; L307-G312 PolarHBondContact O-N 3.45Å
308	E	93.8	Very high	91.5	Very high	117 Å²	117	32.8 Å²	32.8	55%	0.547	16%	0.161	S	C	.	.	H	α-helix	trans	-70.4	-51.7	176.1	-174.7	177.7	-178.9	0	0	112	R300 D304 T305 F306 R311	R300-E308 IonicContact CZ-OE2 3.32Å; R300-E308 IonicContact NE-OE2 3.69Å; R300-E308 IonicContact NH1-OE1 2.68Å; R300-E308 IonicContact NH1-OE2 2.94Å; R300-E308 PolarHBondContact NH1-OE2 2.86Å; R300-E308 IonicContact NH2-OE2 2.87Å; R300-E308 PolarHBondContact NH2-OE2 3.01Å; D304-E308 WeakPolarHBondContact O-CB 3.4Å; D304-E308 PolarHBondContact O-N 2.77Å; T305-E308 PolarHBondContact O-N 2.93Å; F306-E308 VanDerWaalsContact C-N 3.26Å; F306-E308 PolarHBondContact O-N 3.26Å; E308-R311 PolarHBondContact O-N 2.96Å
309	Q	93.9	Very high	92.4	Very high	54 Å²	54	30.8 Å²	30.8	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-71	-41.9	-177.9	-63.6	-168.3	23.6	0	0	111.9	V119 T305 F306 R311 E405 D406 T407	V119-Q309 WeakPolarHBondContact CG1-O 3.39Å; T305-Q309 HydrophobicContact CG2-CG 4.45Å; T305-Q309 WeakPolarHBondContact O-CG 3.34Å; T305-Q309 PolarHBondContact O-N 3.3Å; F306-Q309 PolarHBondContact O-N 2.86Å; Q309-R311 PolarHBondContact O-N 2.78Å; Q309-E405 HydrophobicContact CB-CB 4.22Å; Q309-E405 VanDerWaalsContact OE1-CA 3.23Å; Q309-D406 PolarHBondContact NE2-OD2 2.95Å; Q309-T407 HydrophobicContact CB-CG2 4.01Å
310	H	94.3	Very high	93.4	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-72.3	-17.4	175.5	-170.9	-103.6	0	0	0	113.1	S121 N171 F306 G312 A313 T407	S121-H310 WeakPolarHBondContact CB-NE2 3.13Å; S121-H310 PolarHBondContact OG-NE2 3.07Å; N171-H310 PolarHBondContact OD1-CE1 2.69Å; F306-H310 HydrophobicContact CD1-CB 3.92Å; F306-H310 HydrophobicContact CE1-CB 3.6Å; F306-H310 AromaticContact CE1-CG 3.57Å; F306-H310 AromaticContact CE1-ND1 3.63Å; F306-H310 HydrophobicContact CZ-CB 3.93Å; F306-H310 AromaticContact CZ-CD2 3.9Å; F306-H310 AromaticContact CZ-CG 3.67Å; F306-H310 AromaticContact CZ-ND1 3.95Å; F306-H310 WeakPolarHBondContact O-CA 3.46Å; F306-H310 WeakPolarHBondContact O-CB 3.38Å; F306-H310 PolarHBondContact O-N 2.99Å; H310-G312 VanDerWaalsContact C-N 3.3Å; H310-G312 PolarHBondContact ND1-O 3.49Å; H310-G312 PolarHBondContact O-N 2.6Å; H310-A313 PolarHBondContact CE1-O 2.85Å; H310-A313 VanDerWaalsContact CE1-O 3.27Å; H310-T407 HydrophobicContact CB-CG2 3.73Å
311	R	93.2	Very high	94.1	Very high	197 Å²	197	26.5 Å²	26.5	74%	0.743	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	34.7	-175.7	-47.5	-168.4	-177.6	-164.6	-1.9	113.9	P118 L307 E308 Q309	P118-R311 HydrophobicContact CG-CB 4.01Å; P118-R311 HydrophobicContact CG-CG 4.03Å; L307-R311 CarbonylContact O-C 3.53Å; L307-R311 VanDerWaalsContact O-CA 3.24Å; L307-R311 WeakPolarHBondContact O-CA 3.41Å; L307-R311 PolarHBondContact O-N 3.46Å; E308-R311 PolarHBondContact O-N 2.96Å; Q309-R311 PolarHBondContact O-N 2.78Å
312	G	93.6	Very high	94.5	Very high	27 Å²	27	26.4 Å²	26.4	28%	0.278	12%	0.124	S	C	.	.	S	Bend	trans	153.1	-178.3	177.4	0	0	0	0	0	113.6	L307 H310	L307-G312 WeakPolarHBondContact CD2-O 3.3Å; L307-G312 PolarHBondContact O-N 3.45Å; H310-G312 VanDerWaalsContact C-N 3.3Å; H310-G312 PolarHBondContact ND1-O 3.49Å; H310-G312 PolarHBondContact O-N 2.6Å
313	A	95.8	Very high	94.7	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	14%	0.142	C	C	.	.			trans	-65.7	150.3	175.2	0	0	0	0	0	111.6	V169 G170 N171 A217 H310	V169-A313 HydrophobicContact CG1-CB 3.91Å; G170-A313 WeakPolarHBondContact CA-O 3.44Å; N171-A313 PolarHBondContact N-O 2.85Å; N171-A313 PolarHBondContact OD1-O 3.28Å; A217-A313 VanDerWaalsContact O-CA 3.28Å; A217-A313 WeakPolarHBondContact O-CA 3.47Å; H310-A313 PolarHBondContact CE1-O 2.85Å; H310-A313 VanDerWaalsContact CE1-O 3.27Å
314	G	95.9	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-176.9	-180	0	0	0	0	0	112.7	N171 Y216 A217 Q316	N171-G314 WeakPolarHBondContact OD1-CA 3.46Å; Y216-G314 CarbonylContact C-O 3.55Å; Y216-G314 VanDerWaalsContact CA-O 3.29Å; Y216-G314 WeakPolarHBondContact CA-O 3.46Å; A217-G314 PolarHBondContact N-O 2.9Å; A217-G314 PolarHBondContact O-N 2.93Å; A217-G314 VanDerWaalsContact O-N 3.14Å; G314-Q316 PolarHBondContact O-N 2.89Å
315	V	97.3	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.3	171.4	179	0	0	0	0	108.8	V122 V172 I214 Y216 F306 V318 F408	V122-V315 HydrophobicContact CB-CB 3.87Å; V122-V315 HydrophobicContact CB-CG1 4.41Å; V122-V315 HydrophobicContact CB-CG2 3.99Å; V122-V315 HydrophobicContact CG1-CB 4.17Å; V122-V315 HydrophobicContact CG1-CG2 3.76Å; V122-V315 HydrophobicContact CG2-CB 4.21Å; V122-V315 HydrophobicContact CG2-CG1 4.26Å; V172-V315 HydrophobicContact CG2-CG2 3.98Å; I214-V315 HydrophobicContact CG2-CB 4.45Å; I214-V315 HydrophobicContact CG2-CG1 3.65Å; I214-V315 HydrophobicContact CG2-CG2 3.97Å; Y216-V315 HydrophobicContact CD1-CG2 3.86Å; Y216-V315 HydrophobicContact CE1-CG2 3.56Å; F306-V315 WeakPolarHBondContact CE2-O 3.33Å; V315-V318 HydrophobicContact CG1-CG2 4.13Å; V315-F408 HydrophobicContact CG1-CD2 4.11Å; V315-F408 HydrophobicContact CG1-CE2 3.83Å
316	Q	96.6	Very high	95.1	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.065	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-47.8	173.6	-179.8	172.6	61.3	0	0	111	T215 A217 F306 G314 F408 F409	T215-Q316 PolarHBondContact O-N 3.45Å; A217-Q316 HydrophobicContact CB-CB 4.09Å; F306-Q316 HydrophobicContact CD2-CB 4.28Å; F306-Q316 HydrophobicContact CD2-CG 4.26Å; F306-Q316 HydrophobicContact CE2-CB 4.18Å; G314-Q316 PolarHBondContact O-N 2.89Å; Q316-F408 VanDerWaalsContact O-CA 3.29Å; Q316-F408 WeakPolarHBondContact O-CA 3.45Å; Q316-F408 WeakPolarHBondContact O-CD2 3.38Å; Q316-F409 HydrophobicContact CG-CD1 4.22Å; Q316-F409 HydrophobicContact CG-CE1 3.38Å; Q316-F409 HydrophobicContact CG-CZ 3.85Å; Q316-F409 PolarHBondContact O-N 2.8Å
317	H	97.3	Very high	95.1	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.7	178.3	72.2	-99	0	0	0	113.6	H213 T215 F398 F409 E411	H213-H317 AromaticContact CD2-NE2 3.86Å; H213-H317 AromaticContact NE2-CD2 3.97Å; H213-H317 AromaticContact NE2-NE2 3.19Å; H213-H317 PolarHBondContact NE2-NE2 2.72Å; H213-H317 VanDerWaalsContact NE2-NE2 3.19Å; T215-H317 WeakPolarHBondContact CB-CE1 3.29Å; T215-H317 VanDerWaalsContact CB-ND1 3.3Å; T215-H317 WeakPolarHBondContact CB-ND1 3.35Å; T215-H317 PolarHBondContact N-O 3.3Å; T215-H317 PolarHBondContact O-N 3.32Å; T215-H317 PolarHBondContact OG1-CE1 2.96Å; T215-H317 PolarHBondContact OG1-ND1 2.77Å; T215-H317 PolarHBondContact OG1-NE2 2.85Å; T215-H317 VanDerWaalsContact OG1-NE2 3.07Å; H317-F398 AromaticContact CE1-CZ 3.98Å; H317-F409 WeakPolarHBondContact CA-O 3.41Å; H317-F409 HydrophobicContact CB-CD1 4.44Å; H317-F409 HydrophobicContact CB-CD2 3.62Å; H317-F409 HydrophobicContact CB-CE1 4.33Å; H317-F409 HydrophobicContact CB-CE2 3.45Å; H317-F409 VanDerWaalsContact CB-CE2 3.45Å; H317-F409 HydrophobicContact CB-CG 4.11Å; H317-F409 HydrophobicContact CB-CZ 3.84Å; H317-F409 VanDerWaalsContact CB-O 3.22Å; H317-F409 WeakPolarHBondContact CB-O 3.43Å; H317-F409 AromaticContact CG-CE2 3.71Å; H317-F409 AromaticContact ND1-CE2 3.73Å; H317-F409 AromaticContact ND1-CZ 3.64Å; H317-E411 IonicContact CD2-OE2 3.11Å; H317-E411 PolarHBondContact CD2-OE2 3.24Å; H317-E411 IonicContact CE1-OE2 3.49Å; H317-E411 IonicContact NE2-OE2 3.21Å; H317-E411 PolarHBondContact NE2-OE2 2.83Å
318	V	97.8	Very high	95.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.3	167.3	178.6	0	0	0	0	108.1	F65 F211 I214 V315 F408 F409 L410 E411	F65-V318 HydrophobicContact CE1-CG2 4.49Å; F65-V318 HydrophobicContact CZ-CB 4.34Å; F65-V318 HydrophobicContact CZ-CG1 4.27Å; F211-V318 HydrophobicContact CB-CG1 4.36Å; F211-V318 HydrophobicContact CD1-CG1 3.33Å; F211-V318 HydrophobicContact CE1-CG1 3.75Å; F211-V318 HydrophobicContact CG-CG1 4Å; I214-V318 HydrophobicContact CD1-CG2 4.36Å; I214-V318 HydrophobicContact CG1-CG1 4.35Å; I214-V318 HydrophobicContact CG1-CG2 4.09Å; I214-V318 HydrophobicContact CG2-CG2 4.44Å; V315-V318 HydrophobicContact CG1-CG2 4.13Å; V318-F408 HydrophobicContact CB-CE2 4.49Å; V318-F408 HydrophobicContact CB-CZ 4.36Å; V318-F408 HydrophobicContact CG2-CE2 3.92Å; V318-F408 HydrophobicContact CG2-CZ 4.01Å; V318-F409 PolarHBondContact N-O 2.89Å; V318-L410 HydrophobicContact CB-CD2 4.21Å; V318-E411 PolarHBondContact O-N 3.43Å; V318-E411 VanDerWaalsContact O-N 3.12Å
319	A	96.6	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.6	176.5	0	0	0	0	0	111.5	F211 D212 H213 E411 I413	F211-A319 CarbonylContact C-O 3.57Å; F211-A319 WeakPolarHBondContact CA-O 3.4Å; D212-A319 HydrophobicContact CB-CB 4.03Å; D212-A319 PolarHBondContact N-O 3.48Å; H213-A319 WeakPolarHBondContact CE1-CB 3.37Å; H213-A319 VanDerWaalsContact ND1-CB 3.3Å; H213-A319 WeakPolarHBondContact ND1-CB 3.15Å; H213-A319 PolarHBondContact O-N 2.89Å; A319-E411 CarbonylContact C-O 3.57Å; A319-E411 WeakPolarHBondContact CA-O 3.24Å; A319-E411 HydrophobicContact CB-CB 3.86Å; A319-E411 HydrophobicContact CB-CG 3.89Å; A319-I413 HydrophobicContact CB-CG2 4.16Å
320	L	96.6	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.9	179.2	-62.1	178.1	0	0	0	108.9	F42 F65 V208 F211 T322 L410 E411 L412 I413	F42-L320 HydrophobicContact CE2-CD1 4.07Å; F42-L320 HydrophobicContact CZ-CD1 4.09Å; F42-L320 HydrophobicContact CZ-CD2 4.11Å; F65-L320 HydrophobicContact CE2-CD2 4.4Å; V208-L320 HydrophobicContact CG1-CB 3.88Å; V208-L320 HydrophobicContact CG1-CD2 4.3Å; V208-L320 HydrophobicContact CG1-CG 4.47Å; F211-L320 HydrophobicContact CD1-CD2 3.65Å; F211-L320 HydrophobicContact CE1-CD2 3.71Å; L320-T322 PolarHBondContact O-N 2.85Å; L320-L410 HydrophobicContact CD1-CD1 4.18Å; L320-E411 PolarHBondContact N-O 3.18Å; L320-L412 HydrophobicContact CB-CD2 4.1Å; L320-L412 HydrophobicContact CD1-CD2 4.41Å; L320-I413 PolarHBondContact O-N 2.96Å
321	Y	95.1	Very high	95.3	Very high	45 Å²	45	28.8 Å²	28.8	18%	0.176	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.6	175	-175.6	-78.3	0	0	0	110.5	V208 T209 H210 K323 I413 R415	V208-Y321 CarbonylContact C-O 3.49Å; V208-Y321 WeakPolarHBondContact CA-O 3.38Å; T209-Y321 PolarHBondContact N-O 2.81Å; T209-Y321 VanDerWaalsContact OG1-CD1 3.28Å; T209-Y321 WeakPolarHBondContact OG1-CD1 3.44Å; T209-Y321 PolarHBondContact OG1-O 2.85Å; H210-Y321 WeakPolarHBondContact CE1-CB 3.23Å; H210-Y321 AromaticContact CE1-CD1 3.57Å; H210-Y321 AromaticContact CE1-CD2 3.74Å; H210-Y321 AromaticContact CE1-CG 3.26Å; H210-Y321 AromaticContact ND1-CD1 3.93Å; H210-Y321 AromaticContact ND1-CG 3.85Å; H210-Y321 AromaticContact NE2-CG 3.81Å; H210-Y321 PolarHBondContact O-N 2.95Å; Y321-K323 HydrophobicContact CE1-CG 4.25Å; Y321-I413 CarbonylContact C-O 3.4Å; Y321-I413 VanDerWaalsContact CA-O 3.31Å; Y321-I413 WeakPolarHBondContact CA-O 3.4Å; Y321-R415 HydrophobicContact CD2-CG 4.21Å; Y321-R415 HydrophobicContact CE2-CB 3.82Å; Y321-R415 HydrophobicContact CE2-CG 3.79Å; Y321-R415 PolarHBondContact OH-O 3.13Å
322	T	94.7	Very high	95.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.3	172	-177.9	0	0	0	0	111.8	P207 L320 D324 I325 T328 I413 E414	P207-T322 WeakPolarHBondContact O-CA 3.42Å; P207-T322 PolarHBondContact O-OG1 3.13Å; L320-T322 PolarHBondContact O-N 2.85Å; T322-D324 PolarHBondContact OG1-N 3.37Å; T322-D324 PolarHBondContact OG1-O 2.88Å; T322-I325 HydrophobicContact CG2-CB 3.77Å; T322-I325 HydrophobicContact CG2-CG1 4.1Å; T322-T328 HydrophobicContact CG2-CG2 4.4Å; T322-T328 PolarHBondContact OG1-OG1 2.9Å; T322-I413 PolarHBondContact N-O 2.81Å; T322-E414 HydrophobicContact CG2-CB 4.44Å; T322-E414 WeakPolarHBondContact O-CB 3.48Å
323	K	92.1	Very high	95.5	Very high	97 Å²	97	19.5 Å²	19.5	42%	0.422	10%	0.104	S	C	.	.	S	Bend	trans	-85.1	-15.9	175.5	-65.9	176.8	-179.1	167.7	0	113.5	E202 P207 T209 Y321 R416	E202-K323 IonicContact OE1-NZ 3.04Å; E202-K323 PolarHBondContact OE1-NZ 3.49Å; E202-K323 IonicContact OE2-NZ 3.02Å; P207-K323 HydrophobicContact CB-CB 4.44Å; P207-K323 HydrophobicContact CG-CB 4.39Å; P207-K323 PolarHBondContact O-N 2.88Å; T209-K323 HydrophobicContact CG2-CD 4.49Å; T209-K323 HydrophobicContact CG2-CG 4.38Å; Y321-K323 HydrophobicContact CE1-CG 4.25Å; K323-R416 PolarHBondContact O-NH2 3.03Å
324	D	93.5	Very high	95.6	Very high	57 Å²	57	26.1 Å²	26.1	31%	0.305	13%	0.133	S	C	.	.			trans	-148.2	90.2	177.7	-178.1	-11.4	0	0	0	108.9	P207 T322 V326 S327 T328 E414	P207-D324 HydrophobicContact CG-CB 4.03Å; T322-D324 PolarHBondContact OG1-N 3.37Å; T322-D324 PolarHBondContact OG1-O 2.88Å; D324-V326 VanDerWaalsContact C-N 3.3Å; D324-V326 PolarHBondContact O-N 2.78Å; D324-V326 PolarHBondContact OD1-N 3.16Å; D324-S327 VanDerWaalsContact CG-CB 3.5Å; D324-S327 VanDerWaalsContact CG-OG 3.22Å; D324-S327 PolarHBondContact OD1-N 2.83Å; D324-S327 PolarHBondContact OD1-OG 3.39Å; D324-S327 VanDerWaalsContact OD2-CB 3.27Å; D324-S327 WeakPolarHBondContact OD2-CB 3.19Å; D324-S327 PolarHBondContact OD2-OG 2.95Å; D324-T328 WeakPolarHBondContact O-CB 3.32Å; D324-T328 PolarHBondContact O-N 3Å; D324-T328 PolarHBondContact O-OG1 3.29Å; D324-E414 VanDerWaalsContact CA-OE2 3.3Å; D324-E414 WeakPolarHBondContact CA-OE2 3.11Å
325	I	95.4	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-30.3	-177.3	-165.6	168.2	0	0	0	112.7	T322 A329 I371 L395 V397 L412 E414	T322-I325 HydrophobicContact CG2-CB 3.77Å; T322-I325 HydrophobicContact CG2-CG1 4.1Å; I325-A329 WeakPolarHBondContact O-CB 3.28Å; I325-A329 PolarHBondContact O-N 3.48Å; I325-I371 HydrophobicContact CD1-CG2 4.24Å; I325-I371 HydrophobicContact CG2-CD1 4.42Å; I325-I371 HydrophobicContact CG2-CG2 4.2Å; I325-L395 HydrophobicContact CD1-CB 4Å; I325-L395 WeakPolarHBondContact CD1-O 3.32Å; I325-L395 HydrophobicContact CG2-CB 3.72Å; I325-L395 HydrophobicContact CG2-CD1 3.45Å; I325-L395 VanDerWaalsContact CG2-CD1 3.45Å; I325-L395 HydrophobicContact CG2-CG 4.22Å; I325-V397 HydrophobicContact CD1-CG1 4.17Å; I325-V397 HydrophobicContact CG1-CG1 4.35Å; I325-L412 HydrophobicContact CD1-CB 4.08Å; I325-L412 WeakPolarHBondContact CD1-O 3.48Å; I325-L412 HydrophobicContact CG1-CB 4.04Å; I325-E414 HydrophobicContact CB-CB 3.95Å; I325-E414 HydrophobicContact CG2-CB 4.16Å; I325-E414 WeakPolarHBondContact CG2-OE2 3.37Å; I325-E414 PolarHBondContact N-OE2 2.81Å
326	V	94.3	Very high	95.4	Very high	17 Å²	17	29.4 Å²	29.4	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-51.8	-178.7	178.7	0	0	0	0	109.3	D324 T328 A329 H330 R365 L366 I371	D324-V326 VanDerWaalsContact C-N 3.3Å; D324-V326 PolarHBondContact O-N 2.78Å; D324-V326 PolarHBondContact OD1-N 3.16Å; V326-T328 VanDerWaalsContact C-N 3.34Å; V326-T328 PolarHBondContact O-N 2.74Å; V326-A329 PolarHBondContact O-N 3.26Å; V326-H330 WeakPolarHBondContact O-CB 3.23Å; V326-H330 PolarHBondContact O-N 2.92Å; V326-R365 HydrophobicContact CG1-CB 4.48Å; V326-L366 HydrophobicContact CG2-CD2 4.05Å; V326-I371 HydrophobicContact CB-CD1 4.47Å; V326-I371 HydrophobicContact CG2-CD1 4.04Å
327	S	94.1	Very high	95.4	Very high	38 Å²	38	29.2 Å²	29.2	27%	0.266	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-41	176.8	-58.1	0	0	0	0	111.4	S205 D324 H330 A331	S205-S327 CarbonylContact O-C 3.48Å; D324-S327 VanDerWaalsContact CG-CB 3.5Å; D324-S327 VanDerWaalsContact CG-OG 3.22Å; D324-S327 PolarHBondContact OD1-N 2.83Å; D324-S327 PolarHBondContact OD1-OG 3.39Å; D324-S327 VanDerWaalsContact OD2-CB 3.27Å; D324-S327 WeakPolarHBondContact OD2-CB 3.19Å; D324-S327 PolarHBondContact OD2-OG 2.95Å; S327-H330 PolarHBondContact O-N 2.87Å; S327-A331 WeakPolarHBondContact O-CB 3.47Å; S327-A331 PolarHBondContact O-N 3.12Å
328	T	95.3	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-50	177.8	-59.2	0	0	0	0	111.9	P207 V208 T322 D324 V326 H330 A331 M332 L412	P207-T328 WeakPolarHBondContact CD-OG1 3.28Å; V208-T328 HydrophobicContact CG2-CG2 4.01Å; T322-T328 HydrophobicContact CG2-CG2 4.4Å; T322-T328 PolarHBondContact OG1-OG1 2.9Å; D324-T328 WeakPolarHBondContact O-CB 3.32Å; D324-T328 PolarHBondContact O-N 3Å; D324-T328 PolarHBondContact O-OG1 3.29Å; V326-T328 VanDerWaalsContact C-N 3.34Å; V326-T328 PolarHBondContact O-N 2.74Å; T328-H330 VanDerWaalsContact C-N 3.33Å; T328-A331 PolarHBondContact O-N 2.83Å; T328-M332 HydrophobicContact CG2-CE 3.95Å; T328-M332 HydrophobicContact CG2-SD 4.35Å; T328-M332 WeakPolarHBondContact O-CB 3.45Å; T328-M332 WeakPolarHBondContact O-CG 3.31Å; T328-M332 PolarHBondContact O-N 3.15Å; T328-L412 HydrophobicContact CG2-CD1 3.72Å; T328-L412 HydrophobicContact CG2-CD2 3.93Å; T328-L412 HydrophobicContact CG2-CG 4.46Å
329	A	95.9	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-39.7	-179.4	0	0	0	0	0	111	I325 V326 M332 A333 F339 H369 I371 L412	I325-A329 WeakPolarHBondContact O-CB 3.28Å; I325-A329 PolarHBondContact O-N 3.48Å; V326-A329 PolarHBondContact O-N 3.26Å; A329-M332 PolarHBondContact O-N 3.05Å; A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.19Å; A329-A333 PolarHBondContact O-N 3.06Å; A329-F339 HydrophobicContact CB-CE2 4.35Å; A329-F339 HydrophobicContact CB-CZ 4.15Å; A329-F339 WeakPolarHBondContact O-CE2 3.47Å; A329-H369 HydrophobicContact CB-CB 3.93Å; A329-I371 HydrophobicContact CB-CD1 4.13Å; A329-L412 HydrophobicContact CB-CD1 4.17Å
330	H	95.3	Very high	95	Very high	80 Å²	80	35.9 Å²	35.9	37%	0.37	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-52.7	174.5	-176.4	-82.7	0	0	0	112.3	V326 S327 T328 M332 A333 E334 H369	V326-H330 WeakPolarHBondContact O-CB 3.23Å; V326-H330 PolarHBondContact O-N 2.92Å; S327-H330 PolarHBondContact O-N 2.87Å; T328-H330 VanDerWaalsContact C-N 3.33Å; H330-M332 VanDerWaalsContact C-N 3.26Å; H330-M332 PolarHBondContact O-N 2.9Å; H330-A333 PolarHBondContact O-N 3.35Å; H330-A333 VanDerWaalsContact O-N 3.12Å; H330-E334 IonicContact CE1-OE1 3.55Å; H330-E334 PolarHBondContact CE1-OE1 3.19Å; H330-E334 IonicContact CE1-OE2 3.53Å; H330-E334 PolarHBondContact CE1-OE2 2.67Å; H330-E334 IonicContact ND1-OE2 3.6Å; H330-E334 PolarHBondContact ND1-OE2 3.38Å; H330-E334 PolarHBondContact O-N 2.92Å; H330-H369 WeakPolarHBondContact CA-NE2 3.25Å; H330-H369 WeakPolarHBondContact CB-NE2 3.38Å; H330-H369 AromaticContact CD2-NE2 3.59Å; H330-H369 AromaticContact CG-NE2 3.85Å
331	A	94.7	Very high	94.6	Very high	12 Å²	12	39.5 Å²	39.5	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-35.4	179.6	0	0	0	0	0	112.7	S205 S327 T328 A335	S205-A331 WeakPolarHBondContact O-CB 3.44Å; S327-A331 WeakPolarHBondContact O-CB 3.47Å; S327-A331 PolarHBondContact O-N 3.12Å; T328-A331 PolarHBondContact O-N 2.83Å; A331-A335 WeakPolarHBondContact O-CB 3.42Å; A331-A335 PolarHBondContact O-N 3.45Å
332	M	96.3	Very high	94.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-71.1	-42.3	174	-75.2	-169.1	-178	0	0	112	Y40 C206 V208 T328 A329 H330 A335 G336 V337 F339 L412	Y40-M332 HydrophobicContact CD1-CE 4.34Å; Y40-M332 HydrophobicContact CD1-SD 3.99Å; C206-M332 VanDerWaalsContact SG-CE 3.59Å; V208-M332 HydrophobicContact CG2-CE 4.29Å; T328-M332 HydrophobicContact CG2-CE 3.95Å; T328-M332 HydrophobicContact CG2-SD 4.35Å; T328-M332 WeakPolarHBondContact O-CB 3.45Å; T328-M332 WeakPolarHBondContact O-CG 3.31Å; T328-M332 PolarHBondContact O-N 3.15Å; A329-M332 PolarHBondContact O-N 3.05Å; H330-M332 VanDerWaalsContact C-N 3.26Å; H330-M332 PolarHBondContact O-N 2.9Å; M332-A335 CarbonylContact O-C 3.55Å; M332-A335 PolarHBondContact O-N 3.1Å; M332-G336 PolarHBondContact O-N 2.75Å; M332-V337 HydrophobicContact CB-CB 3.92Å; M332-V337 HydrophobicContact CB-CG1 4.47Å; M332-V337 HydrophobicContact CB-CG2 3.77Å; M332-V337 HydrophobicContact CG-CG2 4.35Å; M332-V337 VanDerWaalsContact O-CB 3.3Å; M332-V337 WeakPolarHBondContact O-CB 3.32Å; M332-V337 WeakPolarHBondContact O-CG2 3.21Å; M332-V337 PolarHBondContact O-N 3.17Å; M332-F339 HydrophobicContact CB-CE2 4.34Å; M332-F339 HydrophobicContact CB-CZ 3.95Å; M332-L412 HydrophobicContact CE-CD2 3.96Å; M332-L412 HydrophobicContact SD-CD1 3.92Å; M332-L412 HydrophobicContact SD-CD2 4.06Å; M332-L412 HydrophobicContact SD-CG 4.4Å
333	A	96	Very high	93.7	Very high	29 Å²	29	40.9 Å²	40.9	24%	0.24	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-45.3	178.3	0	0	0	0	0	112	A329 H330 A335 G336 F339	A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.19Å; A329-A333 PolarHBondContact O-N 3.06Å; H330-A333 PolarHBondContact O-N 3.35Å; H330-A333 VanDerWaalsContact O-N 3.12Å; A333-A335 PolarHBondContact O-N 3.47Å; A333-G336 WeakPolarHBondContact O-CA 3.48Å; A333-G336 PolarHBondContact O-N 2.89Å; A333-F339 HydrophobicContact CB-CD2 4.46Å; A333-F339 HydrophobicContact CB-CE2 4.05Å
334	E	95.9	Very high	93.3	Very high	148 Å²	148	41.4 Å²	41.4	69%	0.692	25%	0.248	S	C	*	.	H	α-helix	trans	-59.7	-31.5	174.3	-74.3	-169.6	118.8	0	0	112.3	H330 G336	H330-E334 IonicContact CE1-OE1 3.55Å; H330-E334 PolarHBondContact CE1-OE1 3.19Å; H330-E334 IonicContact CE1-OE2 3.53Å; H330-E334 PolarHBondContact CE1-OE2 2.67Å; H330-E334 IonicContact ND1-OE2 3.6Å; H330-E334 PolarHBondContact ND1-OE2 3.38Å; H330-E334 PolarHBondContact O-N 2.92Å; E334-G336 VanDerWaalsContact C-N 3.25Å; E334-G336 PolarHBondContact O-N 3.46Å
335	A	95.1	Very high	93	Very high	29 Å²	29	41.7 Å²	41.7	24%	0.24	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.2	175.4	0	0	0	0	0	113.6	S38 K39 A331 M332 A333	S38-A335 WeakPolarHBondContact O-CB 3.11Å; K39-A335 HydrophobicContact CB-CB 4.5Å; K39-A335 WeakPolarHBondContact CG-O 3.23Å; A331-A335 WeakPolarHBondContact O-CB 3.42Å; A331-A335 PolarHBondContact O-N 3.45Å; M332-A335 CarbonylContact O-C 3.55Å; M332-A335 PolarHBondContact O-N 3.1Å; A333-A335 PolarHBondContact O-N 3.47Å
336	G	95.8	Very high	92.6	Very high	42 Å²	42	42.8 Å²	42.8	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	14.6	174.3	0	0	0	0	0	115.5	M332 A333 E334	M332-G336 PolarHBondContact O-N 2.75Å; A333-G336 WeakPolarHBondContact O-CA 3.48Å; A333-G336 PolarHBondContact O-N 2.89Å; E334-G336 VanDerWaalsContact C-N 3.25Å; E334-G336 PolarHBondContact O-N 3.46Å
337	V	96.6	Very high	92.4	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	26%	0.261	C	S	.	.			trans	-69.7	133.5	166.1	179.2	0	0	0	0	109.1	K39 Y40 M332 F339 T399	K39-V337 HydrophobicContact CB-CG2 3.69Å; Y40-V337 HydrophobicContact CD1-CG2 3.91Å; Y40-V337 HydrophobicContact CE1-CB 4.4Å; Y40-V337 HydrophobicContact CE1-CG1 3.81Å; Y40-V337 HydrophobicContact CE1-CG2 3.59Å; Y40-V337 HydrophobicContact CE2-CG2 4.38Å; Y40-V337 HydrophobicContact CG-CG2 4.42Å; M332-V337 HydrophobicContact CB-CB 3.92Å; M332-V337 HydrophobicContact CB-CG1 4.47Å; M332-V337 HydrophobicContact CB-CG2 3.77Å; M332-V337 HydrophobicContact CG-CG2 4.35Å; M332-V337 VanDerWaalsContact O-CB 3.3Å; M332-V337 WeakPolarHBondContact O-CB 3.32Å; M332-V337 WeakPolarHBondContact O-CG2 3.21Å; M332-V337 PolarHBondContact O-N 3.17Å; V337-F339 HydrophobicContact CB-CE2 4.22Å; V337-F339 HydrophobicContact CB-CZ 4.29Å; V337-F339 HydrophobicContact CG1-CD2 4.45Å; V337-F339 HydrophobicContact CG1-CE1 4.03Å; V337-F339 HydrophobicContact CG1-CE2 3.91Å; V337-F339 HydrophobicContact CG1-CZ 3.69Å; V337-T399 HydrophobicContact CG1-CG2 3.79Å
338	Q	95.4	Very high	92.1	Very high	117 Å²	117	45.8 Å²	45.8	55%	0.547	28%	0.277	S	S	.	.			trans	-101	138.3	173.7	-61.7	-173.6	2.1	0	0	109.5	T399 K400	Q338-T399 CarbonylContact O-C 3.52Å; Q338-T399 VanDerWaalsContact O-CA 3.31Å; Q338-T399 WeakPolarHBondContact O-CA 3.48Å; Q338-K400 HydrophobicContact CB-CB 4.19Å; Q338-K400 HydrophobicContact CB-CD 3.84Å; Q338-K400 HydrophobicContact CB-CG 3.93Å; Q338-K400 PolarHBondContact O-N 2.72Å; Q338-K400 VanDerWaalsContact OE1-CD 3.3Å
339	F	95.1	Very high	91.7	Very high	20 Å²	20	51.2 Å²	51.2	9%	0.088	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-112.3	155.1	177.7	-63.6	-80.5	0	0	0	110.9	A329 M332 A333 V337 H369 V397 F398 T399 L412	A329-F339 HydrophobicContact CB-CE2 4.35Å; A329-F339 HydrophobicContact CB-CZ 4.15Å; A329-F339 WeakPolarHBondContact O-CE2 3.47Å; M332-F339 HydrophobicContact CB-CE2 4.34Å; M332-F339 HydrophobicContact CB-CZ 3.95Å; A333-F339 HydrophobicContact CB-CD2 4.46Å; A333-F339 HydrophobicContact CB-CE2 4.05Å; V337-F339 HydrophobicContact CB-CE2 4.22Å; V337-F339 HydrophobicContact CB-CZ 4.29Å; V337-F339 HydrophobicContact CG1-CD2 4.45Å; V337-F339 HydrophobicContact CG1-CE1 4.03Å; V337-F339 HydrophobicContact CG1-CE2 3.91Å; V337-F339 HydrophobicContact CG1-CZ 3.69Å; F339-H369 WeakPolarHBondContact CB-O 3.37Å; F339-V397 HydrophobicContact CB-CG2 3.87Å; F339-V397 HydrophobicContact CD1-CB 4.43Å; F339-V397 HydrophobicContact CD1-CG1 4.02Å; F339-V397 HydrophobicContact CD1-CG2 3.56Å; F339-V397 HydrophobicContact CE1-CG1 4.01Å; F339-V397 HydrophobicContact CE1-CG2 4.38Å; F339-V397 HydrophobicContact CG-CG2 3.94Å; F339-F398 CarbonylContact C-O 3.55Å; F339-F398 WeakPolarHBondContact CA-O 3.44Å; F339-T399 HydrophobicContact CD1-CG2 4.08Å; F339-T399 HydrophobicContact CE1-CG2 3.77Å; F339-L412 HydrophobicContact CE1-CD1 3.97Å; F339-L412 HydrophobicContact CZ-CD1 4.12Å
340	F	92	Very high	91.2	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.053	33%	0.331	C	S	.	.			trans	-74	139.4	165.1	-70.7	-70.4	0	0	0	109.8	F398 T399 K400 V433 Y436	F340-F398 HydrophobicContact CD2-CB 3.65Å; F340-F398 HydrophobicContact CE2-CB 4.38Å; F340-F398 PolarHBondContact N-O 2.88Å; F340-T399 VanDerWaalsContact CD2-O 3.31Å; F340-T399 WeakPolarHBondContact CD2-O 3.43Å; F340-T399 WeakPolarHBondContact CE2-O 3.47Å; F340-K400 HydrophobicContact CE1-CG 4.28Å; F340-K400 HydrophobicContact CZ-CG 4.34Å; F340-V433 HydrophobicContact CD2-CG2 3.98Å; F340-V433 HydrophobicContact CE2-CG2 3.97Å; F340-V433 HydrophobicContact CG-CG2 4.23Å; F340-V433 HydrophobicContact CZ-CG1 4.47Å; F340-V433 HydrophobicContact CZ-CG2 4.26Å; F340-Y436 HydrophobicContact CD1-CG 4.13Å; F340-Y436 AromaticContact CE1-CD1 3.47Å; F340-Y436 HydrophobicContact CE1-CD1 3.47Å; F340-Y436 VanDerWaalsContact CE1-CD1 3.47Å; F340-Y436 HydrophobicContact CE1-CD2 4.15Å; F340-Y436 HydrophobicContact CE1-CE1 4.16Å; F340-Y436 AromaticContact CE1-CG 3.45Å; F340-Y436 HydrophobicContact CE1-CG 3.45Å; F340-Y436 VanDerWaalsContact CE1-CG 3.45Å; F340-Y436 HydrophobicContact CZ-CD1 4.08Å; F340-Y436 HydrophobicContact CZ-CG 4.47Å
341	S	87.4	Confident	90.7	Very high	76 Å²	76	53.6 Å²	53.6	53%	0.531	33%	0.329	S	S	.	.			trans	-113	130.7	175.6	-57	0	0	0	0	109.8
342	P	86.9	Confident	90.3	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.052	33%	0.329	C	S	.	.			trans	-67	165.7	169.6	34.2	-39.2	0	0	0	110.9	Y346 Y347 L372 S432	P342-Y346 HydrophobicContact CB-CG 4.37Å; P342-Y346 HydrophobicContact CG-CD1 4.3Å; P342-Y346 HydrophobicContact CG-CG 4.34Å; P342-Y347 HydrophobicContact CG-CE2 3.55Å; P342-Y347 WeakPolarHBondContact CG-OH 3.14Å; P342-L372 HydrophobicContact CB-CD2 3.87Å; P342-L372 HydrophobicContact CG-CD2 3.62Å; P342-S432 WeakPolarHBondContact CA-OG 3.17Å
343	P	84.5	Confident	89.9	Confident	66 Å²	66	57.1 Å²	57.1	43%	0.429	35%	0.345	S	S	.	.			trans	-51.8	136.4	171.4	-25.8	34.7	0	0	0	110.7	A345 Y346	P343-A345 PolarHBondContact O-N 2.65Å; P343-Y346 VanDerWaalsContact O-CB 3.25Å; P343-Y346 WeakPolarHBondContact O-CB 3.08Å; P343-Y346 PolarHBondContact O-N 2.78Å
344	P	84.4	Confident	89.4	Confident	109 Å²	109	60.4 Å²	60.4	71%	0.708	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-53.8	-28.1	-177.5	-28.5	34.7	0	0	0	113.9	Y346 Y347	P344-Y346 PolarHBondContact O-N 2.79Å; P344-Y346 VanDerWaalsContact O-N 3.15Å; P344-Y347 PolarHBondContact O-N 3.38Å
345	A	86.1	Confident	88.9	Confident	63 Å²	63	54.9 Å²	54.9	52%	0.521	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-53.8	-31.4	175.6	0	0	0	0	0	113.3	P343 Y347 T348 E349	P343-A345 PolarHBondContact O-N 2.65Å; A345-Y347 VanDerWaalsContact C-N 3.31Å; A345-Y347 PolarHBondContact O-N 2.88Å; A345-T348 WeakPolarHBondContact CA-OG1 3.27Å; A345-T348 CarbonylContact O-C 3.54Å; A345-T348 PolarHBondContact O-N 2.84Å; A345-T348 PolarHBondContact O-OG1 2.87Å; A345-E349 PolarHBondContact O-N 3.05Å
346	Y	88	Confident	88.6	Confident	22 Å²	22	53.5 Å²	53.5	9%	0.086	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-53.4	-45.2	178.4	-178	-94	0	0	0	112.7	P342 P343 P344 T348 K352 M356 L372 L373 A428	P342-Y346 HydrophobicContact CB-CG 4.37Å; P342-Y346 HydrophobicContact CG-CD1 4.3Å; P342-Y346 HydrophobicContact CG-CG 4.34Å; P343-Y346 VanDerWaalsContact O-CB 3.25Å; P343-Y346 WeakPolarHBondContact O-CB 3.08Å; P343-Y346 PolarHBondContact O-N 2.78Å; P344-Y346 PolarHBondContact O-N 2.79Å; P344-Y346 VanDerWaalsContact O-N 3.15Å; Y346-T348 VanDerWaalsContact C-N 3.28Å; Y346-T348 PolarHBondContact O-N 2.87Å; Y346-K352 HydrophobicContact CD2-CG 4.5Å; Y346-K352 HydrophobicContact CE2-CD 4.08Å; Y346-K352 HydrophobicContact CE2-CG 4.13Å; Y346-K352 WeakPolarHBondContact O-CB 3.21Å; Y346-K352 WeakPolarHBondContact OH-CE 3.36Å; Y346-M356 HydrophobicContact CD1-CE 4.36Å; Y346-M356 HydrophobicContact CE1-CE 3.81Å; Y346-L372 HydrophobicContact CD1-CD2 3.73Å; Y346-L372 HydrophobicContact CD2-CD2 4.14Å; Y346-L372 HydrophobicContact CE1-CD2 3.4Å; Y346-L372 VanDerWaalsContact CE1-CD2 3.4Å; Y346-L372 HydrophobicContact CE2-CD2 3.82Å; Y346-L372 HydrophobicContact CG-CD2 4.09Å; Y346-L372 VanDerWaalsContact CZ-CD2 3.46Å; Y346-L373 PolarHBondContact OH-N 2.94Å; Y346-L373 PolarHBondContact OH-O 3.11Å; Y346-A428 HydrophobicContact CD2-CB 4.34Å; Y346-A428 HydrophobicContact CE2-CB 4.02Å
347	Y	88.6	Confident	88.2	Confident	20 Å²	20	58.9 Å²	58.9	8%	0.078	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-80.2	-9.5	-178.7	-59.8	-74	0	0	0	113.5	P342 P344 A345 L353 M356 L366 G370 I371	P342-Y347 HydrophobicContact CG-CE2 3.55Å; P342-Y347 WeakPolarHBondContact CG-OH 3.14Å; P344-Y347 PolarHBondContact O-N 3.38Å; A345-Y347 VanDerWaalsContact C-N 3.31Å; A345-Y347 PolarHBondContact O-N 2.88Å; Y347-L353 WeakPolarHBondContact O-CD2 3.27Å; Y347-M356 HydrophobicContact CD1-CE 3.76Å; Y347-M356 HydrophobicContact CD1-SD 4.41Å; Y347-M356 HydrophobicContact CE1-CE 4.1Å; Y347-L366 HydrophobicContact CD1-CB 4.29Å; Y347-L366 HydrophobicContact CE1-CB 3.76Å; Y347-L366 PolarHBondContact OH-O 2.88Å; Y347-G370 WeakPolarHBondContact OH-CA 3.38Å; Y347-G370 PolarHBondContact OH-O 3.49Å; Y347-I371 VanDerWaalsContact CE1-O 3.27Å; Y347-I371 WeakPolarHBondContact CE1-O 3.3Å; Y347-I371 PolarHBondContact OH-N 2.68Å; Y347-I371 VanDerWaalsContact OH-N 3.16Å; Y347-I371 PolarHBondContact OH-O 2.89Å
348	T	88.3	Confident	87.6	Confident	98 Å²	98	63.4 Å²	63.4	60%	0.601	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-8	179.4	62.2	0	0	0	0	113.1	A345 Y346 V350 L353	A345-T348 WeakPolarHBondContact CA-OG1 3.27Å; A345-T348 CarbonylContact O-C 3.54Å; A345-T348 PolarHBondContact O-N 2.84Å; A345-T348 PolarHBondContact O-OG1 2.87Å; Y346-T348 VanDerWaalsContact C-N 3.28Å; Y346-T348 PolarHBondContact O-N 2.87Å; T348-V350 PolarHBondContact O-N 2.83Å; T348-L353 WeakPolarHBondContact O-CD1 3.27Å
349	E	87.8	Confident	87.1	Confident	114 Å²	114	59.2 Å²	59.2	53%	0.533	33%	0.333	S	S	.	.			trans	-65.6	129.2	179.2	-174.8	178	171	0	0	109.9	A345 G351 K352 L353	A345-E349 PolarHBondContact O-N 3.05Å; E349-G351 PolarHBondContact O-N 2.96Å; E349-K352 HydrophobicContact CB-CB 4.33Å; E349-K352 HydrophobicContact CB-CG 4.47Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-L353 WeakPolarHBondContact O-CG 3.45Å; E349-L353 PolarHBondContact O-N 2.75Å
350	V	85.7	Confident	86.7	Confident	99 Å²	99	61.4 Å²	61.4	60%	0.6	36%	0.361	S	S	*	.	H	α-helix	trans	-56.5	-39.5	-174.3	179.5	0	0	0	0	111.9	T348 Q354	T348-V350 PolarHBondContact O-N 2.83Å; V350-Q354 VanDerWaalsContact O-CG 3.27Å; V350-Q354 WeakPolarHBondContact O-CG 3.36Å; V350-Q354 PolarHBondContact O-N 3.09Å; V350-Q354 VanDerWaalsContact O-N 3.08Å
351	G	84.8	Confident	86.5	Confident	31 Å²	31	62.4 Å²	62.4	32%	0.32	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-48.3	176.5	0	0	0	0	0	112.2	E349 Q354 E355	E349-G351 PolarHBondContact O-N 2.96Å; G351-Q354 PolarHBondContact O-N 3.27Å; G351-E355 WeakPolarHBondContact O-CG 3.26Å; G351-E355 PolarHBondContact O-N 3.26Å
352	K	86.6	Confident	86.6	Confident	23 Å²	23	62.3 Å²	62.3	10%	0.1	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-37.3	179.2	-70.9	-62.3	179.4	-173.7	0	113.3	Y346 E349 Q354 E355 M356 L373	Y346-K352 HydrophobicContact CD2-CG 4.5Å; Y346-K352 HydrophobicContact CE2-CD 4.08Å; Y346-K352 HydrophobicContact CE2-CG 4.13Å; Y346-K352 WeakPolarHBondContact O-CB 3.21Å; Y346-K352 WeakPolarHBondContact OH-CE 3.36Å; E349-K352 HydrophobicContact CB-CB 4.33Å; E349-K352 HydrophobicContact CB-CG 4.47Å; E349-K352 PolarHBondContact O-N 3.31Å; K352-Q354 VanDerWaalsContact C-N 3.31Å; K352-Q354 PolarHBondContact O-N 3.3Å; K352-E355 WeakPolarHBondContact CD-OE2 3.42Å; K352-E355 IonicContact NZ-OE1 3.88Å; K352-E355 IonicContact NZ-OE2 3.57Å; K352-E355 PolarHBondContact NZ-OE2 3.46Å; K352-E355 PolarHBondContact O-N 2.74Å; K352-M356 HydrophobicContact CB-CE 4.41Å; K352-M356 WeakPolarHBondContact O-CB 3.38Å; K352-M356 VanDerWaalsContact O-CG 3.25Å; K352-M356 WeakPolarHBondContact O-CG 3.41Å; K352-M356 PolarHBondContact O-N 3.41Å; K352-L373 PolarHBondContact NZ-O 3.49Å
353	L	86.2	Confident	86.7	Confident	64 Å²	64	63.5 Å²	63.5	34%	0.335	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-44.1	172.2	-75	173.9	0	0	0	111.5	Y347 T348 E349 M356 E357 P363	Y347-L353 WeakPolarHBondContact O-CD2 3.27Å; T348-L353 WeakPolarHBondContact O-CD1 3.27Å; E349-L353 WeakPolarHBondContact O-CG 3.45Å; E349-L353 PolarHBondContact O-N 2.75Å; L353-M356 PolarHBondContact O-N 3.32Å; L353-E357 WeakPolarHBondContact O-CB 3.27Å; L353-E357 PolarHBondContact O-N 2.64Å; L353-P363 HydrophobicContact CD2-CB 4.07Å; L353-P363 HydrophobicContact CD2-CG 3.62Å
354	Q	85.8	Confident	87	Confident	98 Å²	98	66.9 Å²	66.9	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-39.3	176.3	-71.7	174.1	7.2	0	0	112.3	V350 G351 K352 K358	V350-Q354 VanDerWaalsContact O-CG 3.27Å; V350-Q354 WeakPolarHBondContact O-CG 3.36Å; V350-Q354 PolarHBondContact O-N 3.09Å; V350-Q354 VanDerWaalsContact O-N 3.08Å; G351-Q354 PolarHBondContact O-N 3.27Å; K352-Q354 VanDerWaalsContact C-N 3.31Å; K352-Q354 PolarHBondContact O-N 3.3Å; Q354-K358 WeakPolarHBondContact O-CB 3.35Å; Q354-K358 WeakPolarHBondContact O-CD 3.43Å; Q354-K358 WeakPolarHBondContact O-CG 3.2Å; Q354-K358 PolarHBondContact O-N 3.22Å
355	E	86.3	Confident	87.3	Confident	32 Å²	32	67.7 Å²	67.7	15%	0.15	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-47.3	174.2	-71.5	175.5	-156.8	0	0	111.6	G351 K352 K358 V359 L373 S375 L377	G351-E355 WeakPolarHBondContact O-CG 3.26Å; G351-E355 PolarHBondContact O-N 3.26Å; K352-E355 WeakPolarHBondContact CD-OE2 3.42Å; K352-E355 IonicContact NZ-OE1 3.88Å; K352-E355 IonicContact NZ-OE2 3.57Å; K352-E355 PolarHBondContact NZ-OE2 3.46Å; K352-E355 PolarHBondContact O-N 2.74Å; E355-K358 PolarHBondContact O-N 3.36Å; E355-V359 WeakPolarHBondContact O-CG2 3.46Å; E355-V359 PolarHBondContact O-N 3.46Å; E355-L373 HydrophobicContact CB-CD2 3.97Å; E355-S375 WeakPolarHBondContact CG-OG 3.2Å; E355-S375 PolarHBondContact OE2-OG 2.8Å; E355-L377 HydrophobicContact CG-CD1 4.18Å
356	M	88.3	Confident	87.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-45.2	179.2	-68.9	171	-174	0	0	111.6	Y346 Y347 K352 L353 K358 V359 G360 L361 P363 L366 L373	Y346-M356 HydrophobicContact CD1-CE 4.36Å; Y346-M356 HydrophobicContact CE1-CE 3.81Å; Y347-M356 HydrophobicContact CD1-CE 3.76Å; Y347-M356 HydrophobicContact CD1-SD 4.41Å; Y347-M356 HydrophobicContact CE1-CE 4.1Å; K352-M356 HydrophobicContact CB-CE 4.41Å; K352-M356 WeakPolarHBondContact O-CB 3.38Å; K352-M356 VanDerWaalsContact O-CG 3.25Å; K352-M356 WeakPolarHBondContact O-CG 3.41Å; K352-M356 PolarHBondContact O-N 3.41Å; L353-M356 PolarHBondContact O-N 3.32Å; M356-K358 PolarHBondContact O-N 3Å; M356-V359 PolarHBondContact O-N 2.6Å; M356-G360 PolarHBondContact O-N 3.46Å; M356-L361 PolarHBondContact O-N 2.85Å; M356-P363 HydrophobicContact CB-CG 4.21Å; M356-P363 HydrophobicContact SD-CB 3.73Å; M356-P363 HydrophobicContact SD-CG 3.78Å; M356-L366 HydrophobicContact CE-CD1 3.93Å; M356-L366 HydrophobicContact CG-CD1 4Å; M356-L366 HydrophobicContact SD-CD1 3.95Å; M356-L373 HydrophobicContact CB-CD2 4.24Å; M356-L373 HydrophobicContact CE-CB 4.44Å; M356-L373 HydrophobicContact CG-CD2 3.6Å
357	E	86.7	Confident	87.9	Confident	155 Å²	155	66.1 Å²	66.1	72%	0.724	36%	0.356	S	S	*	.	H	α-helix	trans	-62.1	-42.7	177.3	-173.7	178	-165	0	0	111.7	L353 V359 G360	L353-E357 WeakPolarHBondContact O-CB 3.27Å; L353-E357 PolarHBondContact O-N 2.64Å; E357-V359 PolarHBondContact O-N 2.93Å; E357-G360 PolarHBondContact O-N 2.99Å; E357-G360 VanDerWaalsContact O-N 3.09Å
358	K	84.4	Confident	88.1	Confident	104 Å²	104	70.7 Å²	70.7	45%	0.452	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-33.3	177.3	-77.9	170.8	-175.2	-179.4	0	113.1	Q354 E355 M356 R391	Q354-K358 WeakPolarHBondContact O-CB 3.35Å; Q354-K358 WeakPolarHBondContact O-CD 3.43Å; Q354-K358 WeakPolarHBondContact O-CG 3.2Å; Q354-K358 PolarHBondContact O-N 3.22Å; E355-K358 PolarHBondContact O-N 3.36Å; M356-K358 PolarHBondContact O-N 3Å; K358-R391 WeakPolarHBondContact O-CD 3.08Å; K358-R391 PolarHBondContact O-NE 3.04Å; K358-R391 PolarHBondContact O-NH1 2.99Å
359	V	84.8	Confident	88.3	Confident	29 Å²	29	67.1 Å²	67.1	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-88.6	-13.1	179.2	-176.4	0	0	0	0	111.5	E355 M356 E357 L361 Y393	E355-V359 WeakPolarHBondContact O-CG2 3.46Å; E355-V359 PolarHBondContact O-N 3.46Å; M356-V359 PolarHBondContact O-N 2.6Å; E357-V359 PolarHBondContact O-N 2.93Å; V359-L361 HydrophobicContact CB-CD1 4.39Å; V359-L361 HydrophobicContact CB-CG 4.39Å; V359-L361 HydrophobicContact CG1-CD1 3.9Å; V359-L361 HydrophobicContact CG1-CG 3.99Å; V359-Y393 HydrophobicContact CG1-CD1 3.54Å; V359-Y393 HydrophobicContact CG1-CD2 4Å; V359-Y393 HydrophobicContact CG1-CE1 3.27Å; V359-Y393 HydrophobicContact CG1-CE2 3.75Å; V359-Y393 HydrophobicContact CG1-CG 3.88Å; V359-Y393 HydrophobicContact CG2-CD1 4.19Å; V359-Y393 HydrophobicContact CG2-CG 4.34Å
360	G	86.4	Confident	88.6	Confident	66 Å²	66	61.8 Å²	61.8	68%	0.68	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	27	-178.6	0	0	0	0	0	113.3	M356 E357	M356-G360 PolarHBondContact O-N 3.46Å; E357-G360 PolarHBondContact O-N 2.99Å; E357-G360 VanDerWaalsContact O-N 3.09Å
361	L	88.3	Confident	89.1	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	30%	0.301	C	S	.	.			trans	-97.8	137.9	176.7	-64.9	173.2	0	0	0	110.3	M356 V359 P363 L366 L373 Y393 L395	M356-L361 PolarHBondContact O-N 2.85Å; V359-L361 HydrophobicContact CB-CD1 4.39Å; V359-L361 HydrophobicContact CB-CG 4.39Å; V359-L361 HydrophobicContact CG1-CD1 3.9Å; V359-L361 HydrophobicContact CG1-CG 3.99Å; L361-P363 WeakPolarHBondContact O-CD 3.33Å; L361-L366 HydrophobicContact CB-CD1 4.09Å; L361-L366 HydrophobicContact CD1-CD1 4.33Å; L361-L373 HydrophobicContact CD1-CD1 4.17Å; L361-L373 HydrophobicContact CD1-CD2 4.45Å; L361-Y393 HydrophobicContact CD1-CE2 4.26Å; L361-L395 HydrophobicContact CD1-CD1 3.98Å; L361-L395 HydrophobicContact CD1-CD2 3.81Å; L361-L395 HydrophobicContact CD1-CG 4.4Å
362	D	90.1	Very high	89.5	Confident	73 Å²	73	55.7 Å²	55.7	39%	0.39	29%	0.286	S	S	.	.			trans	-82.1	117.3	176.8	-178.1	-4.6	0	0	0	110.5	Q364 R365 L366	D362-Q364 PolarHBondContact O-N 3.26Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.41Å; D362-Q364 PolarHBondContact OD1-N 2.96Å; D362-R365 HydrophobicContact CB-CB 4.19Å; D362-R365 HydrophobicContact CB-CG 3.97Å; D362-R365 PolarHBondContact O-N 2.92Å; D362-L366 WeakPolarHBondContact O-CG 3.44Å; D362-L366 PolarHBondContact O-N 3.44Å; D362-L366 VanDerWaalsContact O-N 3.14Å
363	P	89.6	Confident	89.7	Confident	33 Å²	33	54.6 Å²	54.6	21%	0.214	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-33.4	177.7	-23.3	33	0	0	0	113.3	L353 M356 L361 L366 S367	L353-P363 HydrophobicContact CD2-CB 4.07Å; L353-P363 HydrophobicContact CD2-CG 3.62Å; M356-P363 HydrophobicContact CB-CG 4.21Å; M356-P363 HydrophobicContact SD-CB 3.73Å; M356-P363 HydrophobicContact SD-CG 3.78Å; L361-P363 WeakPolarHBondContact O-CD 3.33Å; P363-L366 PolarHBondContact O-N 3.48Å; P363-S367 WeakPolarHBondContact O-CB 3.33Å; P363-S367 PolarHBondContact O-N 3.41Å; P363-S367 PolarHBondContact O-OG 3.44Å
364	Q	89.8	Confident	89.8	Confident	138 Å²	138	52.7 Å²	52.7	65%	0.645	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-49.2	179.7	-66.4	-172.9	-5	0	0	110.4	D362 L366 S367 E368	D362-Q364 PolarHBondContact O-N 3.26Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.41Å; D362-Q364 PolarHBondContact OD1-N 2.96Å; Q364-L366 VanDerWaalsContact C-N 3.29Å; Q364-L366 PolarHBondContact O-N 3.48Å; Q364-S367 PolarHBondContact O-N 3.02Å; Q364-S367 VanDerWaalsContact O-N 3.07Å; Q364-S367 PolarHBondContact O-OG 2.86Å; Q364-E368 WeakPolarHBondContact O-CG 3.24Å; Q364-E368 PolarHBondContact O-N 2.85Å; Q364-E368 VanDerWaalsContact O-N 3.08Å
365	R	91.4	Very high	89.5	Confident	125 Å²	125	48.6 Å²	48.6	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-36	177.1	-64	-172.6	70.7	-175.3	-0.1	112.9	V326 D362	V326-R365 HydrophobicContact CG1-CB 4.48Å; D362-R365 HydrophobicContact CB-CB 4.19Å; D362-R365 HydrophobicContact CB-CG 3.97Å; D362-R365 PolarHBondContact O-N 2.92Å
366	L	92.8	Very high	88.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-39.7	175	-61.2	-177.8	0	0	0	111.4	V326 Y347 M356 L361 D362 P363 Q364 E368 H369 G370 I371	V326-L366 HydrophobicContact CG2-CD2 4.05Å; Y347-L366 HydrophobicContact CD1-CB 4.29Å; Y347-L366 HydrophobicContact CE1-CB 3.76Å; Y347-L366 PolarHBondContact OH-O 2.88Å; M356-L366 HydrophobicContact CE-CD1 3.93Å; M356-L366 HydrophobicContact CG-CD1 4Å; M356-L366 HydrophobicContact SD-CD1 3.95Å; L361-L366 HydrophobicContact CB-CD1 4.09Å; L361-L366 HydrophobicContact CD1-CD1 4.33Å; D362-L366 WeakPolarHBondContact O-CG 3.44Å; D362-L366 PolarHBondContact O-N 3.44Å; D362-L366 VanDerWaalsContact O-N 3.14Å; P363-L366 PolarHBondContact O-N 3.48Å; Q364-L366 VanDerWaalsContact C-N 3.29Å; Q364-L366 PolarHBondContact O-N 3.48Å; L366-E368 VanDerWaalsContact C-N 3.33Å; L366-E368 PolarHBondContact O-N 2.89Å; L366-H369 PolarHBondContact O-N 2.94Å; L366-G370 PolarHBondContact O-N 3.29Å; L366-G370 VanDerWaalsContact O-N 3.12Å; L366-I371 HydrophobicContact CB-CB 4.26Å; L366-I371 HydrophobicContact CD2-CB 3.92Å; L366-I371 HydrophobicContact CD2-CD1 4.27Å; L366-I371 HydrophobicContact CD2-CG2 3.8Å; L366-I371 PolarHBondContact O-N 3.45Å
367	S	92.9	Very high	86.8	Confident	51 Å²	51	55.2 Å²	55.2	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-67.6	-30.1	-178.8	76.2	0	0	0	0	113.9	P363 Q364 H369 G370	P363-S367 WeakPolarHBondContact O-CB 3.33Å; P363-S367 PolarHBondContact O-N 3.41Å; P363-S367 PolarHBondContact O-OG 3.44Å; Q364-S367 PolarHBondContact O-N 3.02Å; Q364-S367 VanDerWaalsContact O-N 3.07Å; Q364-S367 PolarHBondContact O-OG 2.86Å; S367-H369 PolarHBondContact O-N 3.02Å; S367-G370 PolarHBondContact O-N 3.41Å
368	E	93.1	Very high	84.8	Confident	116 Å²	116	55.6 Å²	55.6	54%	0.542	29%	0.292	S	S	.	.	H	α-helix	trans	-55.5	-34.9	178.3	-76.3	169.7	-175.8	0	0	112.9	Q364 L366	Q364-E368 WeakPolarHBondContact O-CG 3.24Å; Q364-E368 PolarHBondContact O-N 2.85Å; Q364-E368 VanDerWaalsContact O-N 3.08Å; L366-E368 VanDerWaalsContact C-N 3.33Å; L366-E368 PolarHBondContact O-N 2.89Å
369	H	93.8	Very high	82.7	Confident	24 Å²	24	59 Å²	59	11%	0.111	31%	0.309	C	S	.	.	H	α-helix	trans	-120.3	7.7	-177.5	-57.4	-41.2	0	0	0	113.6	A329 H330 F339 L366 S367 I371 V397	A329-H369 HydrophobicContact CB-CB 3.93Å; H330-H369 WeakPolarHBondContact CA-NE2 3.25Å; H330-H369 WeakPolarHBondContact CB-NE2 3.38Å; H330-H369 AromaticContact CD2-NE2 3.59Å; H330-H369 AromaticContact CG-NE2 3.85Å; F339-H369 WeakPolarHBondContact CB-O 3.37Å; L366-H369 PolarHBondContact O-N 2.94Å; S367-H369 PolarHBondContact O-N 3.02Å; H369-I371 VanDerWaalsContact C-N 3.34Å; H369-I371 HydrophobicContact CB-CD1 4.34Å; H369-I371 HydrophobicContact CB-CG1 4.19Å; H369-V397 VanDerWaalsContact O-CG2 3.23Å; H369-V397 WeakPolarHBondContact O-CG2 2.95Å
370	G	93.4	Very high	80.5	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	27.2	179.5	0	0	0	0	0	114	Y347 L366 S367	Y347-G370 WeakPolarHBondContact OH-CA 3.38Å; Y347-G370 PolarHBondContact OH-O 3.49Å; L366-G370 PolarHBondContact O-N 3.29Å; L366-G370 VanDerWaalsContact O-N 3.12Å; S367-G370 PolarHBondContact O-N 3.41Å
371	I	94.9	Very high	78.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.334	C	S	.	.			trans	-73	131.9	-179.6	-57.5	167.6	0	0	0	109.8	I325 V326 A329 Y347 L366 H369 L395 V397	I325-I371 HydrophobicContact CD1-CG2 4.24Å; I325-I371 HydrophobicContact CG2-CD1 4.42Å; I325-I371 HydrophobicContact CG2-CG2 4.2Å; V326-I371 HydrophobicContact CB-CD1 4.47Å; V326-I371 HydrophobicContact CG2-CD1 4.04Å; A329-I371 HydrophobicContact CB-CD1 4.13Å; Y347-I371 VanDerWaalsContact CE1-O 3.27Å; Y347-I371 WeakPolarHBondContact CE1-O 3.3Å; Y347-I371 PolarHBondContact OH-N 2.68Å; Y347-I371 VanDerWaalsContact OH-N 3.16Å; Y347-I371 PolarHBondContact OH-O 2.89Å; L366-I371 HydrophobicContact CB-CB 4.26Å; L366-I371 HydrophobicContact CD2-CB 3.92Å; L366-I371 HydrophobicContact CD2-CD1 4.27Å; L366-I371 HydrophobicContact CD2-CG2 3.8Å; L366-I371 PolarHBondContact O-N 3.45Å; H369-I371 VanDerWaalsContact C-N 3.34Å; H369-I371 HydrophobicContact CB-CD1 4.34Å; H369-I371 HydrophobicContact CB-CG1 4.19Å; I371-L395 HydrophobicContact CG2-CB 4.14Å; I371-L395 HydrophobicContact CG2-CD2 4.21Å; I371-V397 HydrophobicContact CG1-CB 4.28Å; I371-V397 HydrophobicContact CG1-CG1 4.35Å
372	L	93.1	Very high	75.8	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.1	-177.4	-63.8	168	0	0	0	111	P342 Y346 L395 Q396 N425 A428 L429	P342-L372 HydrophobicContact CB-CD2 3.87Å; P342-L372 HydrophobicContact CG-CD2 3.62Å; Y346-L372 HydrophobicContact CD1-CD2 3.73Å; Y346-L372 HydrophobicContact CD2-CD2 4.14Å; Y346-L372 HydrophobicContact CE1-CD2 3.4Å; Y346-L372 VanDerWaalsContact CE1-CD2 3.4Å; Y346-L372 HydrophobicContact CE2-CD2 3.82Å; Y346-L372 HydrophobicContact CG-CD2 4.09Å; Y346-L372 VanDerWaalsContact CZ-CD2 3.46Å; L372-L395 VanDerWaalsContact O-CA 3.27Å; L372-L395 WeakPolarHBondContact O-CA 3.44Å; L372-Q396 PolarHBondContact N-O 3.12Å; L372-Q396 PolarHBondContact O-N 2.81Å; L372-N425 WeakPolarHBondContact CB-OD1 3.27Å; L372-N425 PolarHBondContact O-ND2 2.91Å; L372-A428 HydrophobicContact CD1-CB 3.9Å; L372-A428 HydrophobicContact CD2-CB 3.92Å; L372-L429 HydrophobicContact CD1-CB 4.3Å; L372-L429 HydrophobicContact CD1-CD1 4.42Å; L372-L429 HydrophobicContact CD1-CD2 3.39Å; L372-L429 HydrophobicContact CD1-CG 3.38Å
373	L	92.1	Very high	73.5	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	174.5	175.3	68.3	0	0	0	112.1	Y346 K352 E355 M356 L361 Y393 L395 N425	Y346-L373 PolarHBondContact OH-N 2.94Å; Y346-L373 PolarHBondContact OH-O 3.11Å; K352-L373 PolarHBondContact NZ-O 3.49Å; E355-L373 HydrophobicContact CB-CD2 3.97Å; M356-L373 HydrophobicContact CB-CD2 4.24Å; M356-L373 HydrophobicContact CE-CB 4.44Å; M356-L373 HydrophobicContact CG-CD2 3.6Å; L361-L373 HydrophobicContact CD1-CD1 4.17Å; L361-L373 HydrophobicContact CD1-CD2 4.45Å; L373-Y393 HydrophobicContact CD1-CD2 3.73Å; L373-Y393 HydrophobicContact CD1-CG 4.11Å; L373-L395 HydrophobicContact CB-CD2 3.83Å; L373-L395 HydrophobicContact CD1-CD2 3.58Å; L373-L395 HydrophobicContact CD1-CG 4.48Å; L373-L395 HydrophobicContact CG-CD2 4.3Å; L373-N425 PolarHBondContact O-OD1 3.18Å
374	D	88.4	Confident	71.3	Confident	25 Å²	25	76.7 Å²	76.7	13%	0.134	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.8	162.5	-152.2	-22.8	0	0	0	109.4	Y393 L394 G422 E423 G424 N425	D374-Y393 CarbonylContact O-C 3.57Å; D374-Y393 WeakPolarHBondContact O-CA 3.38Å; D374-Y393 WeakPolarHBondContact O-CB 3.49Å; D374-L394 HydrophobicContact CB-CB 4.42Å; D374-L394 PolarHBondContact N-O 2.73Å; D374-L394 PolarHBondContact O-N 2.9Å; D374-G422 WeakPolarHBondContact OD2-CA 3.5Å; D374-E423 PolarHBondContact OD2-N 3.25Å; D374-E423 VanDerWaalsContact OD2-N 3.08Å; D374-G424 WeakPolarHBondContact OD2-CA 3.46Å; D374-G424 PolarHBondContact OD2-N 3.3Å; D374-N425 HydrophobicContact CB-CB 4.15Å; D374-N425 PolarHBondContact N-OD1 3.45Å; D374-N425 PolarHBondContact OD2-N 3.06Å; D374-N425 VanDerWaalsContact OD2-N 3.16Å
375	S	79.5	Confident	68.8	Low	12 Å²	12	76.3 Å²	76.3	8%	0.084	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.7	177.8	52.6	0	0	0	0	108.6	E355 L377	E355-S375 WeakPolarHBondContact CG-OG 3.2Å; E355-S375 PolarHBondContact OE2-OG 2.8Å; S375-L377 PolarHBondContact O-N 3.2Å; S375-L377 VanDerWaalsContact OG-CG 3.29Å; S375-L377 WeakPolarHBondContact OG-CG 3.47Å
376	D	65.4	Low	66.5	Low	77 Å²	77	74.3 Å²	74.3	41%	0.412	43%	0.43	S	S	.	.			trans	-77.7	78.8	176.1	-166.6	2.1	0	0	0	106.9	Q378 R392	D376-Q378 PolarHBondContact O-N 2.89Å; D376-R392 HydrophobicContact CB-CB 4.1Å; D376-R392 PolarHBondContact N-O 2.91Å
377	L	50.9	Low	63.6	Low	94 Å²	94	79.8 Å²	79.8	49%	0.492	47%	0.467	S	S	.	.			trans	-75.9	26	-172.3	-67.8	175.5	0	0	0	113.2	E355 S375 E379	E355-L377 HydrophobicContact CG-CD1 4.18Å; S375-L377 PolarHBondContact O-N 3.2Å; S375-L377 VanDerWaalsContact OG-CG 3.29Å; S375-L377 WeakPolarHBondContact OG-CG 3.47Å; L377-E379 PolarHBondContact O-N 3.47Å
378	Q	44.9	Very low	61.3	Low	163 Å²	163	81.4 Å²	81.4	76%	0.762	48%	0.479	S	S	*	.			trans	-68	92.5	157.8	-76.5	-166.2	8.5	0	0	108	D376 V380	D376-Q378 PolarHBondContact O-N 2.89Å; Q378-V380 PolarHBondContact O-N 3.19Å
379	E	40.5	Very low	59.1	Low	174 Å²	174	83.9 Å²	83.9	81%	0.813	49%	0.49	S	S	*	.			trans	-55.4	91.5	162.2	-70.1	-172.6	172.2	0	0	107.8	L377 P381	L377-E379 PolarHBondContact O-N 3.47Å; E379-P381 WeakPolarHBondContact O-CD 3.41Å
380	V	38.9	Very low	57.1	Low	98 Å²	98	90.2 Å²	90.2	59%	0.594	53%	0.525	S	S	*	.			trans	-65.9	117.6	160.7	-173.9	0	0	0	0	104.3	Q378 S382	Q378-V380 PolarHBondContact O-N 3.19Å; V380-S382 PolarHBondContact O-N 3.25Å
381	P	35.5	Very low	55.8	Low	120 Å²	120	96.6 Å²	96.6	78%	0.779	55%	0.548	S	S	*	.			trans	-66.3	91.2	176.6	27	-31.7	0	0	0	107	E379 S383	E379-P381 WeakPolarHBondContact O-CD 3.41Å; P381-S383 PolarHBondContact O-N 3.39Å; P381-S383 VanDerWaalsContact O-N 3.08Å
382	S	41.3	Very low	55.3	Low	95 Å²	95	103 Å²	103	66%	0.664	57%	0.573	S	S	*	*			trans	-68.9	113	177.1	49.1	0	0	0	0	107.4	V380	V380-S382 PolarHBondContact O-N 3.25Å
383	S	40.9	Very low	55.1	Low	99 Å²	99	104.4 Å²	104.4	69%	0.692	58%	0.578	S	S	*	*			trans	-31.4	134.6	158.9	46.9	0	0	0	0	112	P381 T385	P381-S383 PolarHBondContact O-N 3.39Å; P381-S383 VanDerWaalsContact O-N 3.08Å; S383-T385 PolarHBondContact O-N 2.86Å
384	Q	43.2	Very low	55	Low	195 Å²	195	104.6 Å²	104.6	91%	0.911	58%	0.579	S	S	*	*	S	Bend	trans	-40.9	98.8	178.6	-64.4	178.3	-8.3	0	0	113.7
385	T	39	Very low	55.3	Low	131 Å²	131	103.5 Å²	103.5	80%	0.804	57%	0.573	S	S	*	*			trans	-160.9	118.8	148.3	36.2	0	0	0	0	107.5	S383 C387	S383-T385 PolarHBondContact O-N 2.86Å; T385-C387 PolarHBondContact O-N 3.18Å
386	G	41.9	Very low	56.1	Low	83 Å²	83	103.1 Å²	103.1	86%	0.856	57%	0.57	S	S	*	*			trans	-66.9	119.4	-175.3	0	0	0	0	0	112.8
387	C	33	Very low	57.5	Low	115 Å²	115	99.5 Å²	99.5	78%	0.777	55%	0.55	S	S	*	*			trans	-164.4	133.8	145.6	-99.4	0	0	0	0	107.8	T385 E389	T385-C387 PolarHBondContact O-N 3.18Å; C387-E389 PolarHBondContact O-N 3Å
388	S	43.6	Very low	59.7	Low	86 Å²	86	96 Å²	96	60%	0.601	53%	0.531	S	S	*	.	S	Bend	trans	-78	44.1	-170.3	-178.3	0	0	0	0	114.2	R391	S388-R391 PolarHBondContact OG-NH1 2.96Å; S388-R391 PolarHBondContact OG-NH2 3.08Å
389	E	46.8	Very low	62.1	Low	167 Å²	167	88.3 Å²	88.3	78%	0.78	50%	0.495	S	S	*	.			trans	-129.5	19.9	-162	-70.8	-170.7	166.9	0	0	117.2	C387	C387-E389 PolarHBondContact O-N 3Å
390	N	52.4	Low	64.7	Low	157 Å²	157	82.6 Å²	82.6	84%	0.84	47%	0.468	S	S	*	.			trans	-117.7	44.9	175.6	-90.1	-16.4	0	0	0	113.1
391	R	66.7	Low	67.4	Low	136 Å²	136	79.2 Å²	79.2	51%	0.513	45%	0.448	S	S	.	.			trans	-90.9	122.7	172.2	-63.7	-171.6	-175.1	106	8.5	109.6	K358 S388	K358-R391 WeakPolarHBondContact O-CD 3.08Å; K358-R391 PolarHBondContact O-NE 3.04Å; K358-R391 PolarHBondContact O-NH1 2.99Å; S388-R391 PolarHBondContact OG-NH1 2.96Å; S388-R391 PolarHBondContact OG-NH2 3.08Å
392	R	83.4	Confident	70.2	Confident	135 Å²	135	74.8 Å²	74.8	51%	0.509	42%	0.418	S	S	.	.			trans	-95.6	119.7	178.3	-65.5	-177.5	-175.6	169.3	1.7	110.3	D376 R416 G417	D376-R392 HydrophobicContact CB-CB 4.1Å; D376-R392 PolarHBondContact N-O 2.91Å; R392-R416 CarbonylContact C-O 3.51Å; R392-R416 WeakPolarHBondContact CA-O 3.4Å; R392-G417 WeakPolarHBondContact CD-O 3.3Å
393	Y	88.4	Confident	72.6	Confident	31 Å²	31	71.3 Å²	71.3	12%	0.122	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164	177.5	66.9	-86.9	0	0	0	112.5	V359 L361 L373 D374 L395 R416 A418	V359-Y393 HydrophobicContact CG1-CD1 3.54Å; V359-Y393 HydrophobicContact CG1-CD2 4Å; V359-Y393 HydrophobicContact CG1-CE1 3.27Å; V359-Y393 HydrophobicContact CG1-CE2 3.75Å; V359-Y393 HydrophobicContact CG1-CG 3.88Å; V359-Y393 HydrophobicContact CG2-CD1 4.19Å; V359-Y393 HydrophobicContact CG2-CG 4.34Å; L361-Y393 HydrophobicContact CD1-CE2 4.26Å; L373-Y393 HydrophobicContact CD1-CD2 3.73Å; L373-Y393 HydrophobicContact CD1-CG 4.11Å; D374-Y393 CarbonylContact O-C 3.57Å; D374-Y393 WeakPolarHBondContact O-CA 3.38Å; D374-Y393 WeakPolarHBondContact O-CB 3.49Å; Y393-L395 HydrophobicContact CD2-CD2 4.48Å; Y393-L395 HydrophobicContact CD2-CG 4.07Å; Y393-L395 HydrophobicContact CE2-CD1 4.01Å; Y393-L395 HydrophobicContact CE2-CG 4.05Å; Y393-R416 HydrophobicContact CD1-CB 3.68Å; Y393-R416 HydrophobicContact CD1-CG 4.43Å; Y393-R416 HydrophobicContact CD2-CB 4.17Å; Y393-R416 HydrophobicContact CD2-CG 4.33Å; Y393-R416 HydrophobicContact CE1-CB 3.39Å; Y393-R416 HydrophobicContact CE1-CG 3.77Å; Y393-R416 HydrophobicContact CE2-CB 3.93Å; Y393-R416 HydrophobicContact CE2-CG 3.67Å; Y393-R416 HydrophobicContact CG-CB 4.06Å; Y393-R416 PolarHBondContact N-O 2.84Å; Y393-R416 PolarHBondContact O-N 3.11Å; Y393-R416 WeakPolarHBondContact OH-CG 3.4Å; Y393-A418 WeakPolarHBondContact O-CB 3.41Å
394	L	91.3	Very high	74.8	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.6	-176	-172.2	62.8	0	0	0	109.5	D374 Q396 I413 R415 A418 F421 N425	D374-L394 HydrophobicContact CB-CB 4.42Å; D374-L394 PolarHBondContact N-O 2.73Å; D374-L394 PolarHBondContact O-N 2.9Å; L394-Q396 HydrophobicContact CD2-CG 4.35Å; L394-Q396 HydrophobicContact CG-CG 4.12Å; L394-I413 HydrophobicContact CD1-CD1 3.86Å; L394-I413 HydrophobicContact CD1-CG1 3.69Å; L394-R415 HydrophobicContact CD1-CB 4.28Å; L394-R415 HydrophobicContact CD1-CG 3.62Å; L394-A418 HydrophobicContact CB-CB 4.19Å; L394-F421 VanDerWaalsContact CD2-O 3.3Å; L394-F421 WeakPolarHBondContact CD2-O 3.25Å; L394-N425 PolarHBondContact O-ND2 3.24Å
395	L	94.4	Very high	77.1	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.5	172.5	-62.8	176.4	0	0	0	110	I325 L361 I371 L372 L373 Y393 I413 E414	I325-L395 HydrophobicContact CD1-CB 4Å; I325-L395 WeakPolarHBondContact CD1-O 3.32Å; I325-L395 HydrophobicContact CG2-CB 3.72Å; I325-L395 HydrophobicContact CG2-CD1 3.45Å; I325-L395 VanDerWaalsContact CG2-CD1 3.45Å; I325-L395 HydrophobicContact CG2-CG 4.22Å; L361-L395 HydrophobicContact CD1-CD1 3.98Å; L361-L395 HydrophobicContact CD1-CD2 3.81Å; L361-L395 HydrophobicContact CD1-CG 4.4Å; I371-L395 HydrophobicContact CG2-CB 4.14Å; I371-L395 HydrophobicContact CG2-CD2 4.21Å; L372-L395 VanDerWaalsContact O-CA 3.27Å; L372-L395 WeakPolarHBondContact O-CA 3.44Å; L373-L395 HydrophobicContact CB-CD2 3.83Å; L373-L395 HydrophobicContact CD1-CD2 3.58Å; L373-L395 HydrophobicContact CD1-CG 4.48Å; L373-L395 HydrophobicContact CG-CD2 4.3Å; Y393-L395 HydrophobicContact CD2-CD2 4.48Å; Y393-L395 HydrophobicContact CD2-CG 4.07Å; Y393-L395 HydrophobicContact CE2-CD1 4.01Å; Y393-L395 HydrophobicContact CE2-CG 4.05Å; L395-I413 CarbonylContact O-C 3.51Å; L395-I413 WeakPolarHBondContact O-CA 3.34Å; L395-E414 HydrophobicContact CB-CB 4.28Å; L395-E414 PolarHBondContact N-O 2.81Å; L395-E414 PolarHBondContact O-N 2.94Å
396	Q	95.4	Very high	79.6	Confident	4 Å²	4	60 Å²	60	2%	0.019	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.6	-178	-71.5	166.9	-73.6	0	0	112	L372 L394 E411 L412 I413 F421 N425 L429	L372-Q396 PolarHBondContact N-O 3.12Å; L372-Q396 PolarHBondContact O-N 2.81Å; L394-Q396 HydrophobicContact CD2-CG 4.35Å; L394-Q396 HydrophobicContact CG-CG 4.12Å; Q396-E411 WeakPolarHBondContact CG-OE1 3.38Å; Q396-E411 PolarHBondContact NE2-OE1 2.85Å; Q396-L412 WeakPolarHBondContact CA-O 3.41Å; Q396-I413 HydrophobicContact CG-CB 4.25Å; Q396-I413 HydrophobicContact CG-CD1 3.94Å; Q396-I413 HydrophobicContact CG-CG1 3.74Å; Q396-F421 PolarHBondContact NE2-O 3.21Å; Q396-F421 PolarHBondContact OE1-O 3.35Å; Q396-N425 PolarHBondContact OE1-ND2 2.67Å; Q396-L429 HydrophobicContact CB-CD1 4.1Å
397	V	95.6	Very high	82	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141	167.7	63.5	0	0	0	0	110.3	I325 F339 H369 I371 E411 L412	I325-V397 HydrophobicContact CD1-CG1 4.17Å; I325-V397 HydrophobicContact CG1-CG1 4.35Å; F339-V397 HydrophobicContact CB-CG2 3.87Å; F339-V397 HydrophobicContact CD1-CB 4.43Å; F339-V397 HydrophobicContact CD1-CG1 4.02Å; F339-V397 HydrophobicContact CD1-CG2 3.56Å; F339-V397 HydrophobicContact CE1-CG1 4.01Å; F339-V397 HydrophobicContact CE1-CG2 4.38Å; F339-V397 HydrophobicContact CG-CG2 3.94Å; H369-V397 VanDerWaalsContact O-CG2 3.23Å; H369-V397 WeakPolarHBondContact O-CG2 2.95Å; I371-V397 HydrophobicContact CG1-CB 4.28Å; I371-V397 HydrophobicContact CG1-CG1 4.35Å; V397-E411 WeakPolarHBondContact O-CA 3.34Å; V397-L412 HydrophobicContact CG1-CB 3.8Å; V397-L412 HydrophobicContact CG1-CD1 4.09Å; V397-L412 HydrophobicContact CG1-CG 4.3Å; V397-L412 PolarHBondContact N-O 3.22Å; V397-L412 PolarHBondContact O-N 3.09Å
398	F	95.7	Very high	85	Confident	21 Å²	21	50.7 Å²	50.7	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.3	175.7	-70.3	-5.2	0	0	0	111.1	H317 F339 F340 F409 E411 L429 V433	H317-F398 AromaticContact CE1-CZ 3.98Å; F339-F398 CarbonylContact C-O 3.55Å; F339-F398 WeakPolarHBondContact CA-O 3.44Å; F340-F398 HydrophobicContact CD2-CB 3.65Å; F340-F398 HydrophobicContact CE2-CB 4.38Å; F340-F398 PolarHBondContact N-O 2.88Å; F398-F409 HydrophobicContact CB-CD2 4.17Å; F398-F409 HydrophobicContact CB-CE2 4.09Å; F398-F409 HydrophobicContact CD1-CE2 4.09Å; F398-F409 HydrophobicContact CD2-CD2 4.33Å; F398-F409 AromaticContact CD2-CE2 3.45Å; F398-F409 HydrophobicContact CD2-CE2 3.45Å; F398-F409 VanDerWaalsContact CD2-CE2 3.45Å; F398-F409 AromaticContact CD2-CZ 3.93Å; F398-F409 HydrophobicContact CD2-CZ 3.93Å; F398-F409 HydrophobicContact CE1-CE2 4.38Å; F398-F409 AromaticContact CE2-CE2 3.78Å; F398-F409 HydrophobicContact CE2-CE2 3.78Å; F398-F409 HydrophobicContact CE2-CZ 4Å; F398-F409 HydrophobicContact CG-CD2 4.15Å; F398-F409 AromaticContact CG-CE2 3.61Å; F398-F409 HydrophobicContact CG-CE2 3.61Å; F398-F409 HydrophobicContact CZ-CE2 4.22Å; F398-E411 HydrophobicContact CD1-CB 3.6Å; F398-E411 HydrophobicContact CD1-CG 3.73Å; F398-E411 HydrophobicContact CE1-CB 3.73Å; F398-E411 VanDerWaalsContact CE1-CD 3.42Å; F398-E411 HydrophobicContact CE1-CG 3.63Å; F398-E411 VanDerWaalsContact CE1-OE2 3.31Å; F398-E411 WeakPolarHBondContact CE1-OE2 3.38Å; F398-L429 HydrophobicContact CB-CD2 4.39Å; F398-L429 HydrophobicContact CD1-CD1 4.35Å; F398-L429 HydrophobicContact CD1-CD2 3.86Å; F398-L429 HydrophobicContact CD2-CB 4.28Å; F398-L429 HydrophobicContact CD2-CD2 3.88Å; F398-L429 HydrophobicContact CE1-CD1 3.7Å; F398-L429 HydrophobicContact CE1-CD2 4.04Å; F398-L429 HydrophobicContact CE1-CG 4.37Å; F398-L429 HydrophobicContact CE2-CB 3.85Å; F398-L429 HydrophobicContact CE2-CD1 4.21Å; F398-L429 HydrophobicContact CE2-CD2 4.09Å; F398-L429 HydrophobicContact CE2-CG 4.25Å; F398-L429 HydrophobicContact CG-CD2 3.78Å; F398-L429 HydrophobicContact CZ-CB 4.14Å; F398-L429 HydrophobicContact CZ-CD1 3.65Å; F398-L429 HydrophobicContact CZ-CD2 4.19Å; F398-L429 HydrophobicContact CZ-CG 4.19Å; F398-V433 HydrophobicContact CD2-CG2 3.91Å; F398-V433 HydrophobicContact CE2-CG2 4.45Å
399	T	96.8	Very high	87.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-74.2	158	166.5	75.3	0	0	0	0	109.2	Y40 V337 Q338 F339 F340 F409 L410	Y40-T399 HydrophobicContact CE1-CG2 4.06Å; V337-T399 HydrophobicContact CG1-CG2 3.79Å; Q338-T399 CarbonylContact O-C 3.52Å; Q338-T399 VanDerWaalsContact O-CA 3.31Å; Q338-T399 WeakPolarHBondContact O-CA 3.48Å; F339-T399 HydrophobicContact CD1-CG2 4.08Å; F339-T399 HydrophobicContact CE1-CG2 3.77Å; F340-T399 VanDerWaalsContact CD2-O 3.31Å; F340-T399 WeakPolarHBondContact CD2-O 3.43Å; F340-T399 WeakPolarHBondContact CE2-O 3.47Å; T399-F409 WeakPolarHBondContact O-CB 3.48Å; T399-L410 HydrophobicContact CG2-CB 4Å; T399-L410 PolarHBondContact N-O 3.35Å; T399-L410 PolarHBondContact OG1-N 2.93Å; T399-L410 PolarHBondContact OG1-O 2.58Å
400	K	94.7	Very high	90	Very high	54 Å²	54	39.3 Å²	39.3	24%	0.235	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63.4	164.4	160.6	-69.5	-162.3	-171	172.2	0	111	Q338 F340 Y436	Q338-K400 HydrophobicContact CB-CB 4.19Å; Q338-K400 HydrophobicContact CB-CD 3.84Å; Q338-K400 HydrophobicContact CB-CG 3.93Å; Q338-K400 PolarHBondContact O-N 2.72Å; Q338-K400 VanDerWaalsContact OE1-CD 3.3Å; F340-K400 HydrophobicContact CE1-CG 4.28Å; F340-K400 HydrophobicContact CZ-CG 4.34Å; K400-Y436 HydrophobicContact CD-CE2 4.11Å
401	P	94.8	Very high	92.1	Very high	27 Å²	27	31.9 Å²	31.9	18%	0.175	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-52.2	142.1	177.2	-26.8	35.5	0	0	0	113.2	D406 F408	P401-D406 HydrophobicContact CG-CB 4.35Å; P401-F408 WeakPolarHBondContact CA-O 3.36Å
402	L	94.3	Very high	93.6	Very high	27 Å²	27	25.4 Å²	25.4	14%	0.141	13%	0.132	C	C	.	.	S	Bend	trans	-83.1	-22.1	179.3	-87.2	70.4	0	0	0	112.4	L32 Y40 F408 L410	L32-L402 HydrophobicContact CD1-CD2 4.25Å; Y40-L402 HydrophobicContact CE2-CD2 4.23Å; Y40-L402 HydrophobicContact CE2-CG 4.25Å; Y40-L402 WeakPolarHBondContact OH-CD1 3.31Å; L402-F408 HydrophobicContact CB-CD1 4.47Å; L402-F408 HydrophobicContact CD2-CD1 4.39Å; L402-F408 HydrophobicContact CD2-CE1 4.18Å; L402-F408 PolarHBondContact N-O 2.79Å; L402-L410 HydrophobicContact CD1-CB 4.48Å; L402-L410 HydrophobicContact CD1-CD1 4.28Å; L402-L410 HydrophobicContact CD1-CG 3.91Å; L402-L410 HydrophobicContact CD2-CD1 3.98Å; L402-L410 HydrophobicContact CD2-CG 4.12Å
403	F	92.4	Very high	94.1	Very high	23 Å²	23	19 Å²	19	10%	0.101	11%	0.108	C	C	.	.	S	Bend	trans	-105.2	178.3	-178	-56.4	-47.4	0	0	0	111.5	L24 V26 L32 D120 E405 F408	L24-F403 HydrophobicContact CD2-CE2 4.45Å; L24-F403 HydrophobicContact CD2-CZ 3.8Å; V26-F403 HydrophobicContact CG1-CE1 3.78Å; V26-F403 HydrophobicContact CG1-CZ 3.89Å; L32-F403 HydrophobicContact CD1-CE1 4.42Å; L32-F403 HydrophobicContact CD2-CE1 4.11Å; L32-F403 HydrophobicContact CD2-CZ 4.37Å; D120-F403 HydrophobicContact CB-CB 4.42Å; D120-F403 HydrophobicContact CB-CD1 3.67Å; D120-F403 HydrophobicContact CB-CD2 3.98Å; D120-F403 HydrophobicContact CB-CE1 3.83Å; D120-F403 HydrophobicContact CB-CE2 4.13Å; D120-F403 HydrophobicContact CB-CG 3.76Å; D120-F403 HydrophobicContact CB-CZ 4.06Å; D120-F403 WeakPolarHBondContact O-CD2 3.31Å; D120-F403 WeakPolarHBondContact O-CE2 3.49Å; F403-E405 VanDerWaalsContact C-N 3.25Å; F403-F408 HydrophobicContact CD2-CB 3.8Å; F403-F408 HydrophobicContact CE2-CB 3.67Å; F403-F408 AromaticContact CE2-CD1 3.82Å; F403-F408 HydrophobicContact CE2-CD1 3.82Å; F403-F408 HydrophobicContact CE2-CG 4.1Å; F403-F408 HydrophobicContact CZ-CD1 4.26Å
404	A	88.1	Confident	94.4	Very high	99 Å²	99	17.9 Å²	17.9	82%	0.818	10%	0.103	S	C	*	.	S	Bend	trans	-68.3	-32.2	176.6	0	0	0	0	0	111.3
405	E	90.6	Very high	94.4	Very high	52 Å²	52	19 Å²	19	24%	0.243	11%	0.107	C	C	.	.	S	Bend	trans	-84.1	145.3	174.7	-57.9	82.1	178.4	0	0	111.7	V119 Q309 F403 T407	V119-E405 HydrophobicContact CB-CG 4.43Å; V119-E405 HydrophobicContact CG1-CG 3.98Å; Q309-E405 HydrophobicContact CB-CB 4.22Å; Q309-E405 VanDerWaalsContact OE1-CA 3.23Å; F403-E405 VanDerWaalsContact C-N 3.25Å; E405-T407 HydrophobicContact CB-CG2 3.77Å; E405-T407 PolarHBondContact O-N 3.09Å; E405-T407 PolarHBondContact O-OG1 2.82Å
406	D	90.8	Very high	94.1	Very high	37 Å²	37	24.3 Å²	24.3	20%	0.198	13%	0.127	C	C	.	.	S	Bend	trans	-72.1	57	174	-59.1	-58.2	0	0	0	112.1	T305 Q309 P401 M437	T305-D406 HydrophobicContact CG2-CB 4.48Å; Q309-D406 PolarHBondContact NE2-OD2 2.95Å; P401-D406 HydrophobicContact CG-CB 4.35Å; D406-M437 HydrophobicContact CB-CE 4.11Å
407	T	94	Very high	93.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.153	C	C	.	.			trans	-115.1	-81	-172	56.1	0	0	0	0	111.6	F306 Q309 H310 E405	F306-T407 HydrophobicContact CD2-CG2 4.29Å; F306-T407 VanDerWaalsContact CD2-O 3.32Å; F306-T407 WeakPolarHBondContact CD2-O 3.35Å; F306-T407 HydrophobicContact CE2-CG2 4.38Å; F306-T407 WeakPolarHBondContact CE2-O 3.31Å; Q309-T407 HydrophobicContact CB-CG2 4.01Å; H310-T407 HydrophobicContact CB-CG2 3.73Å; E405-T407 HydrophobicContact CB-CG2 3.77Å; E405-T407 PolarHBondContact O-N 3.09Å; E405-T407 PolarHBondContact O-OG1 2.82Å
408	F	96.1	Very high	92.8	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	16%	0.157	C	C	.	.			trans	-93	126.7	-173.2	-177.6	-111.2	0	0	0	112.2	L24 V122 V315 Q316 V318 P401 L402 F403 L410	L24-F408 HydrophobicContact CD2-CD1 4.06Å; L24-F408 HydrophobicContact CD2-CE1 3.75Å; L24-F408 HydrophobicContact CD2-CZ 4.49Å; V122-F408 HydrophobicContact CG2-CD1 4.34Å; V122-F408 HydrophobicContact CG2-CD2 3.7Å; V122-F408 HydrophobicContact CG2-CE1 4.09Å; V122-F408 HydrophobicContact CG2-CE2 3.42Å; V122-F408 VanDerWaalsContact CG2-CE2 3.42Å; V122-F408 HydrophobicContact CG2-CG 4.16Å; V122-F408 HydrophobicContact CG2-CZ 3.63Å; V315-F408 HydrophobicContact CG1-CD2 4.11Å; V315-F408 HydrophobicContact CG1-CE2 3.83Å; Q316-F408 VanDerWaalsContact O-CA 3.29Å; Q316-F408 WeakPolarHBondContact O-CA 3.45Å; Q316-F408 WeakPolarHBondContact O-CD2 3.38Å; V318-F408 HydrophobicContact CB-CE2 4.49Å; V318-F408 HydrophobicContact CB-CZ 4.36Å; V318-F408 HydrophobicContact CG2-CE2 3.92Å; V318-F408 HydrophobicContact CG2-CZ 4.01Å; P401-F408 WeakPolarHBondContact CA-O 3.36Å; L402-F408 HydrophobicContact CB-CD1 4.47Å; L402-F408 HydrophobicContact CD2-CD1 4.39Å; L402-F408 HydrophobicContact CD2-CE1 4.18Å; L402-F408 PolarHBondContact N-O 2.79Å; F403-F408 HydrophobicContact CD2-CB 3.8Å; F403-F408 HydrophobicContact CE2-CB 3.67Å; F403-F408 AromaticContact CE2-CD1 3.82Å; F403-F408 HydrophobicContact CE2-CD1 3.82Å; F403-F408 HydrophobicContact CE2-CG 4.1Å; F403-F408 HydrophobicContact CZ-CD1 4.26Å; F408-L410 HydrophobicContact CE1-CD2 4.09Å; F408-L410 HydrophobicContact CZ-CD2 3.8Å
409	F	96.3	Very high	91.9	Very high	11 Å²	11	30.9 Å²	30.9	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	174.7	172.5	61.1	-90.8	0	0	0	112	Q316 H317 V318 F398 T399	Q316-F409 HydrophobicContact CG-CD1 4.22Å; Q316-F409 HydrophobicContact CG-CE1 3.38Å; Q316-F409 HydrophobicContact CG-CZ 3.85Å; Q316-F409 PolarHBondContact O-N 2.8Å; H317-F409 WeakPolarHBondContact CA-O 3.41Å; H317-F409 HydrophobicContact CB-CD1 4.44Å; H317-F409 HydrophobicContact CB-CD2 3.62Å; H317-F409 HydrophobicContact CB-CE1 4.33Å; H317-F409 HydrophobicContact CB-CE2 3.45Å; H317-F409 VanDerWaalsContact CB-CE2 3.45Å; H317-F409 HydrophobicContact CB-CG 4.11Å; H317-F409 HydrophobicContact CB-CZ 3.84Å; H317-F409 VanDerWaalsContact CB-O 3.22Å; H317-F409 WeakPolarHBondContact CB-O 3.43Å; H317-F409 AromaticContact CG-CE2 3.71Å; H317-F409 AromaticContact ND1-CE2 3.73Å; H317-F409 AromaticContact ND1-CZ 3.64Å; V318-F409 PolarHBondContact N-O 2.89Å; F398-F409 HydrophobicContact CB-CD2 4.17Å; F398-F409 HydrophobicContact CB-CE2 4.09Å; F398-F409 HydrophobicContact CD1-CE2 4.09Å; F398-F409 HydrophobicContact CD2-CD2 4.33Å; F398-F409 AromaticContact CD2-CE2 3.45Å; F398-F409 HydrophobicContact CD2-CE2 3.45Å; F398-F409 VanDerWaalsContact CD2-CE2 3.45Å; F398-F409 AromaticContact CD2-CZ 3.93Å; F398-F409 HydrophobicContact CD2-CZ 3.93Å; F398-F409 HydrophobicContact CE1-CE2 4.38Å; F398-F409 AromaticContact CE2-CE2 3.78Å; F398-F409 HydrophobicContact CE2-CE2 3.78Å; F398-F409 HydrophobicContact CE2-CZ 4Å; F398-F409 HydrophobicContact CG-CD2 4.15Å; F398-F409 AromaticContact CG-CE2 3.61Å; F398-F409 HydrophobicContact CG-CE2 3.61Å; F398-F409 HydrophobicContact CZ-CE2 4.22Å; T399-F409 WeakPolarHBondContact O-CB 3.48Å
410	L	97.6	Very high	91.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	152.6	176.1	-63.2	175.7	0	0	0	110.6	Y40 F65 V318 L320 T399 L402 F408	Y40-L410 HydrophobicContact CD1-CD1 3.83Å; Y40-L410 HydrophobicContact CE1-CD1 3.8Å; Y40-L410 HydrophobicContact CG-CD1 4.34Å; F65-L410 HydrophobicContact CE2-CD2 4.37Å; F65-L410 HydrophobicContact CZ-CD2 3.92Å; V318-L410 HydrophobicContact CB-CD2 4.21Å; L320-L410 HydrophobicContact CD1-CD1 4.18Å; T399-L410 HydrophobicContact CG2-CB 4Å; T399-L410 PolarHBondContact N-O 3.35Å; T399-L410 PolarHBondContact OG1-N 2.93Å; T399-L410 PolarHBondContact OG1-O 2.58Å; L402-L410 HydrophobicContact CD1-CB 4.48Å; L402-L410 HydrophobicContact CD1-CD1 4.28Å; L402-L410 HydrophobicContact CD1-CG 3.91Å; L402-L410 HydrophobicContact CD2-CD1 3.98Å; L402-L410 HydrophobicContact CD2-CG 4.12Å; F408-L410 HydrophobicContact CE1-CD2 4.09Å; F408-L410 HydrophobicContact CZ-CD2 3.8Å
411	E	97.1	Very high	90.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.4	170.5	166.5	-179.1	179.8	0	0	109	H213 H317 V318 A319 L320 Q396 V397 F398 I413	H213-E411 IonicContact CE1-OE1 2.7Å; H213-E411 IonicContact CE1-OE2 3.2Å; H213-E411 PolarHBondContact CE1-OE2 3.13Å; H213-E411 IonicContact NE2-OE2 2.84Å; H213-E411 PolarHBondContact NE2-OE2 3.38Å; H317-E411 IonicContact CD2-OE2 3.11Å; H317-E411 PolarHBondContact CD2-OE2 3.24Å; H317-E411 IonicContact CE1-OE2 3.49Å; H317-E411 IonicContact NE2-OE2 3.21Å; H317-E411 PolarHBondContact NE2-OE2 2.83Å; V318-E411 PolarHBondContact O-N 3.43Å; V318-E411 VanDerWaalsContact O-N 3.12Å; A319-E411 CarbonylContact C-O 3.57Å; A319-E411 WeakPolarHBondContact CA-O 3.24Å; A319-E411 HydrophobicContact CB-CB 3.86Å; A319-E411 HydrophobicContact CB-CG 3.89Å; L320-E411 PolarHBondContact N-O 3.18Å; Q396-E411 WeakPolarHBondContact CG-OE1 3.38Å; Q396-E411 PolarHBondContact NE2-OE1 2.85Å; V397-E411 WeakPolarHBondContact O-CA 3.34Å; F398-E411 HydrophobicContact CD1-CB 3.6Å; F398-E411 HydrophobicContact CD1-CG 3.73Å; F398-E411 HydrophobicContact CE1-CB 3.73Å; F398-E411 VanDerWaalsContact CE1-CD 3.42Å; F398-E411 HydrophobicContact CE1-CG 3.63Å; F398-E411 VanDerWaalsContact CE1-OE2 3.31Å; F398-E411 WeakPolarHBondContact CE1-OE2 3.38Å; E411-I413 HydrophobicContact CG-CB 4.43Å
412	L	97.1	Very high	89.6	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.6	161.6	-61.7	177.6	0	0	0	108.4	V208 L320 I325 T328 A329 M332 F339 Q396 V397	V208-L412 HydrophobicContact CG2-CD2 4.45Å; L320-L412 HydrophobicContact CB-CD2 4.1Å; L320-L412 HydrophobicContact CD1-CD2 4.41Å; I325-L412 HydrophobicContact CD1-CB 4.08Å; I325-L412 WeakPolarHBondContact CD1-O 3.48Å; I325-L412 HydrophobicContact CG1-CB 4.04Å; T328-L412 HydrophobicContact CG2-CD1 3.72Å; T328-L412 HydrophobicContact CG2-CD2 3.93Å; T328-L412 HydrophobicContact CG2-CG 4.46Å; A329-L412 HydrophobicContact CB-CD1 4.17Å; M332-L412 HydrophobicContact CE-CD2 3.96Å; M332-L412 HydrophobicContact SD-CD1 3.92Å; M332-L412 HydrophobicContact SD-CD2 4.06Å; M332-L412 HydrophobicContact SD-CG 4.4Å; F339-L412 HydrophobicContact CE1-CD1 3.97Å; F339-L412 HydrophobicContact CZ-CD1 4.12Å; Q396-L412 WeakPolarHBondContact CA-O 3.41Å; V397-L412 HydrophobicContact CG1-CB 3.8Å; V397-L412 HydrophobicContact CG1-CD1 4.09Å; V397-L412 HydrophobicContact CG1-CG 4.3Å; V397-L412 PolarHBondContact N-O 3.22Å; V397-L412 PolarHBondContact O-N 3.09Å
413	I	95.1	Very high	89	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	134	-179.6	-171.3	166.8	0	0	0	110.8	D212 A319 L320 Y321 T322 L394 L395 Q396 E411 R415	D212-I413 HydrophobicContact CB-CG2 3.5Å; D212-I413 VanDerWaalsContact CB-CG2 3.5Å; A319-I413 HydrophobicContact CB-CG2 4.16Å; L320-I413 PolarHBondContact O-N 2.96Å; Y321-I413 CarbonylContact C-O 3.4Å; Y321-I413 VanDerWaalsContact CA-O 3.31Å; Y321-I413 WeakPolarHBondContact CA-O 3.4Å; T322-I413 PolarHBondContact N-O 2.81Å; L394-I413 HydrophobicContact CD1-CD1 3.86Å; L394-I413 HydrophobicContact CD1-CG1 3.69Å; L395-I413 CarbonylContact O-C 3.51Å; L395-I413 WeakPolarHBondContact O-CA 3.34Å; Q396-I413 HydrophobicContact CG-CB 4.25Å; Q396-I413 HydrophobicContact CG-CD1 3.94Å; Q396-I413 HydrophobicContact CG-CG1 3.74Å; E411-I413 HydrophobicContact CG-CB 4.43Å; I413-R415 HydrophobicContact CG1-CG 4.35Å
414	E	94.3	Very high	88.4	Confident	7 Å²	7	30.5 Å²	30.5	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.9	171.7	174.3	-178.4	157.3	0	0	109	T322 D324 I325 L395 R416	T322-E414 HydrophobicContact CG2-CB 4.44Å; T322-E414 WeakPolarHBondContact O-CB 3.48Å; D324-E414 VanDerWaalsContact CA-OE2 3.3Å; D324-E414 WeakPolarHBondContact CA-OE2 3.11Å; I325-E414 HydrophobicContact CB-CB 3.95Å; I325-E414 HydrophobicContact CG2-CB 4.16Å; I325-E414 WeakPolarHBondContact CG2-OE2 3.37Å; I325-E414 PolarHBondContact N-OE2 2.81Å; L395-E414 HydrophobicContact CB-CB 4.28Å; L395-E414 PolarHBondContact N-O 2.81Å; L395-E414 PolarHBondContact O-N 2.94Å; E414-R416 HydrophobicContact CG-CG 4.34Å; E414-R416 IonicContact OE1-CZ 3.99Å; E414-R416 IonicContact OE1-NE 2.84Å; E414-R416 PolarHBondContact OE1-NE 3.34Å; E414-R416 IonicContact OE1-NH2 3.58Å; E414-R416 PolarHBondContact OE1-NH2 2.84Å
415	R	91.2	Very high	88.1	Confident	27 Å²	27	25.8 Å²	25.8	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.7	179.1	-50.2	179	166.3	-75.9	-2.9	109.9	D212 Y321 L394 I413 A418 G420	D212-R415 IonicContact OD1-CZ 3.81Å; D212-R415 IonicContact OD1-NE 2.61Å; D212-R415 IonicContact OD1-NH2 3.67Å; D212-R415 PolarHBondContact OD1-NH2 3.15Å; D212-R415 IonicContact OD2-CZ 2.82Å; D212-R415 IonicContact OD2-NE 2.84Å; D212-R415 PolarHBondContact OD2-NE 2.87Å; D212-R415 IonicContact OD2-NH2 2.63Å; Y321-R415 HydrophobicContact CD2-CG 4.21Å; Y321-R415 HydrophobicContact CE2-CB 3.82Å; Y321-R415 HydrophobicContact CE2-CG 3.79Å; Y321-R415 PolarHBondContact OH-O 3.13Å; L394-R415 HydrophobicContact CD1-CB 4.28Å; L394-R415 HydrophobicContact CD1-CG 3.62Å; I413-R415 HydrophobicContact CG1-CG 4.35Å; R415-A418 PolarHBondContact NH1-O 3.34Å; R415-G420 PolarHBondContact NH1-O 3.01Å; R415-G420 PolarHBondContact NH2-O 2.9Å
416	R	88.8	Confident	87.8	Confident	115 Å²	115	24.2 Å²	24.2	43%	0.434	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	82	174.2	-68.5	-87.5	-173	-172.3	-0.6	107.4	K323 R392 Y393 E414 A418	K323-R416 PolarHBondContact O-NH2 3.03Å; R392-R416 CarbonylContact C-O 3.51Å; R392-R416 WeakPolarHBondContact CA-O 3.4Å; Y393-R416 HydrophobicContact CD1-CB 3.68Å; Y393-R416 HydrophobicContact CD1-CG 4.43Å; Y393-R416 HydrophobicContact CD2-CB 4.17Å; Y393-R416 HydrophobicContact CD2-CG 4.33Å; Y393-R416 HydrophobicContact CE1-CB 3.39Å; Y393-R416 HydrophobicContact CE1-CG 3.77Å; Y393-R416 HydrophobicContact CE2-CB 3.93Å; Y393-R416 HydrophobicContact CE2-CG 3.67Å; Y393-R416 HydrophobicContact CG-CB 4.06Å; Y393-R416 PolarHBondContact N-O 2.84Å; Y393-R416 PolarHBondContact O-N 3.11Å; Y393-R416 WeakPolarHBondContact OH-CG 3.4Å; E414-R416 HydrophobicContact CG-CG 4.34Å; E414-R416 IonicContact OE1-CZ 3.99Å; E414-R416 IonicContact OE1-NE 2.84Å; E414-R416 PolarHBondContact OE1-NE 3.34Å; E414-R416 IonicContact OE1-NH2 3.58Å; E414-R416 PolarHBondContact OE1-NH2 2.84Å; R416-A418 PolarHBondContact O-N 3.28Å; R416-A418 VanDerWaalsContact O-N 3.15Å
417	G	81.3	Confident	87.5	Confident	54 Å²	54	26.3 Å²	26.3	56%	0.557	15%	0.153	S	C	*	.	B	Isolated β-bridge	trans	72.9	-4.3	-176	0	0	0	0	0	115.9	R392	R392-G417 WeakPolarHBondContact CD-O 3.3Å
418	A	81.8	Confident	87.1	Confident	10 Å²	10	26.5 Å²	26.5	8%	0.083	16%	0.155	C	C	.	.			trans	-82.9	129	177.6	0	0	0	0	0	112.3	Y393 L394 R415 R416	Y393-A418 WeakPolarHBondContact O-CB 3.41Å; L394-A418 HydrophobicContact CB-CB 4.19Å; R415-A418 PolarHBondContact NH1-O 3.34Å; R416-A418 PolarHBondContact O-N 3.28Å; R416-A418 VanDerWaalsContact O-N 3.15Å
419	T	76.9	Confident	86.5	Confident	98 Å²	98	26.8 Å²	26.8	60%	0.601	16%	0.156	S	C	*	.			trans	-104.4	-18.2	-179.8	54.1	0	0	0	0	114	F239 K288	F239-T419 WeakPolarHBondContact CZ-O 3.3Å; K288-T419 PolarHBondContact NZ-O 3.38Å
420	G	80.1	Confident	85.9	Confident	20 Å²	20	27 Å²	27	21%	0.206	16%	0.157	C	C	.	.	S	Bend	trans	-79.6	-166.9	-180	0	0	0	0	0	114.4	R415	R415-G420 PolarHBondContact NH1-O 3.01Å; R415-G420 PolarHBondContact NH2-O 2.9Å
421	F	80.8	Confident	85.3	Confident	5 Å²	5	32.6 Å²	32.6	2%	0.022	18%	0.177	C	C	.	.			trans	-103.2	-2.7	177.4	-74.6	-85.3	0	0	0	114.6	H213 F239 I241 A264 K288 V290 L394 Q396 I426	H213-F421 HydrophobicContact CB-CE1 4.07Å; H213-F421 HydrophobicContact CB-CZ 4.47Å; H213-F421 AromaticContact CD2-CE1 3.95Å; H213-F421 AromaticContact CE1-CE1 3.99Å; H213-F421 AromaticContact CG-CE1 3.71Å; H213-F421 AromaticContact ND1-CE1 3.73Å; F239-F421 AromaticContact CD1-CD2 3.89Å; F239-F421 HydrophobicContact CD1-CD2 3.89Å; F239-F421 AromaticContact CD1-CE2 3.53Å; F239-F421 HydrophobicContact CD1-CE2 3.53Å; F239-F421 AromaticContact CE1-CD2 3.63Å; F239-F421 HydrophobicContact CE1-CD2 3.63Å; F239-F421 AromaticContact CE1-CE2 3.62Å; F239-F421 HydrophobicContact CE1-CE2 3.62Å; I241-F421 HydrophobicContact CG1-CD2 4.04Å; I241-F421 HydrophobicContact CG2-CB 4.36Å; A264-F421 HydrophobicContact CB-CD2 4.31Å; A264-F421 HydrophobicContact CB-CE2 3.66Å; A264-F421 HydrophobicContact CB-CZ 4.29Å; K288-F421 HydrophobicContact CB-CZ 3.96Å; K288-F421 HydrophobicContact CD-CE2 4.22Å; K288-F421 HydrophobicContact CD-CZ 3.79Å; K288-F421 HydrophobicContact CG-CZ 4.49Å; V290-F421 HydrophobicContact CG2-CD1 4.2Å; V290-F421 HydrophobicContact CG2-CE1 3.49Å; V290-F421 VanDerWaalsContact CG2-CE1 3.49Å; V290-F421 HydrophobicContact CG2-CE2 4.19Å; V290-F421 HydrophobicContact CG2-CZ 3.48Å; V290-F421 VanDerWaalsContact CG2-CZ 3.48Å; L394-F421 VanDerWaalsContact CD2-O 3.3Å; L394-F421 WeakPolarHBondContact CD2-O 3.25Å; Q396-F421 PolarHBondContact NE2-O 3.21Å; Q396-F421 PolarHBondContact OE1-O 3.35Å; F421-I426 HydrophobicContact CB-CD1 3.79Å
422	G	78.1	Confident	84.7	Confident	12 Å²	12	32.8 Å²	32.8	12%	0.124	18%	0.179	C	C	.	.			trans	71.6	90.8	-175.8	0	0	0	0	0	111	D374 G424 N425 I426	D374-G422 WeakPolarHBondContact OD2-CA 3.5Å; G422-G424 VanDerWaalsContact C-N 3.32Å; G422-G424 PolarHBondContact O-N 2.91Å; G422-N425 PolarHBondContact O-N 3.34Å; G422-I426 WeakPolarHBondContact O-CG1 3.39Å; G422-I426 PolarHBondContact O-N 2.86Å
423	E	80.6	Confident	84	Confident	61 Å²	61	33 Å²	33	29%	0.285	18%	0.18	S	C	.	.	H	α-helix	trans	-57.8	-44.8	-177.7	-162.9	-145.7	144.4	0	0	112.3	F251 D374 I426 R427	F251-E423 HydrophobicContact CD2-CG 4.37Å; F251-E423 HydrophobicContact CE1-CG 4.24Å; F251-E423 HydrophobicContact CE2-CG 3.31Å; F251-E423 HydrophobicContact CZ-CG 3.23Å; D374-E423 PolarHBondContact OD2-N 3.25Å; D374-E423 VanDerWaalsContact OD2-N 3.08Å; E423-I426 PolarHBondContact O-N 3.16Å; E423-R427 PolarHBondContact O-N 3.31Å; E423-R427 VanDerWaalsContact O-N 3.17Å; E423-R427 IonicContact OE1-CZ 2.72Å; E423-R427 IonicContact OE1-NE 2.8Å; E423-R427 PolarHBondContact OE1-NE 2.99Å; E423-R427 IonicContact OE1-NH2 2.78Å; E423-R427 PolarHBondContact OE1-NH2 3.44Å
424	G	79.1	Confident	83.5	Confident	27 Å²	27	33.5 Å²	33.5	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-40.9	178.2	0	0	0	0	0	111.5	D374 G422 R427 A428	D374-G424 WeakPolarHBondContact OD2-CA 3.46Å; D374-G424 PolarHBondContact OD2-N 3.3Å; G422-G424 VanDerWaalsContact C-N 3.32Å; G422-G424 PolarHBondContact O-N 2.91Å; G424-R427 PolarHBondContact O-N 2.81Å; G424-A428 WeakPolarHBondContact O-CB 3.49Å; G424-A428 PolarHBondContact O-N 3.48Å
425	N	83.6	Confident	83	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-44	174.8	-85.2	1.9	0	0	0	111.8	L372 L373 D374 L394 Q396 G422 R427 A428 L429	L372-N425 WeakPolarHBondContact CB-OD1 3.27Å; L372-N425 PolarHBondContact O-ND2 2.91Å; L373-N425 PolarHBondContact O-OD1 3.18Å; D374-N425 HydrophobicContact CB-CB 4.15Å; D374-N425 PolarHBondContact N-OD1 3.45Å; D374-N425 PolarHBondContact OD2-N 3.06Å; D374-N425 VanDerWaalsContact OD2-N 3.16Å; L394-N425 PolarHBondContact O-ND2 3.24Å; Q396-N425 PolarHBondContact OE1-ND2 2.67Å; G422-N425 PolarHBondContact O-N 3.34Å; N425-R427 VanDerWaalsContact C-N 3.33Å; N425-R427 PolarHBondContact O-N 3.29Å; N425-A428 PolarHBondContact O-N 3.43Å; N425-L429 HydrophobicContact CB-CD1 4.44Å; N425-L429 VanDerWaalsContact O-CB 3.29Å; N425-L429 WeakPolarHBondContact O-CB 3.41Å; N425-L429 WeakPolarHBondContact O-CD1 3.48Å; N425-L429 WeakPolarHBondContact O-CG 3.49Å; N425-L429 PolarHBondContact O-N 2.92Å
426	I	83.9	Confident	82.5	Confident	19 Å²	19	36 Å²	36	10%	0.097	20%	0.201	C	C	.	.	H	α-helix	trans	-56	-48.8	176.5	-71.3	166.7	0	0	0	110.7	I241 F251 V253 L262 F421 G422 E423 A428 L429 W430	I241-I426 HydrophobicContact CG2-CD1 3.52Å; F251-I426 HydrophobicContact CD1-CG2 4.4Å; F251-I426 HydrophobicContact CE1-CB 4.43Å; F251-I426 HydrophobicContact CE1-CD1 4.48Å; F251-I426 HydrophobicContact CE1-CG2 3.86Å; V253-I426 HydrophobicContact CG2-CG2 4.1Å; L262-I426 HydrophobicContact CD1-CD1 4.14Å; L262-I426 HydrophobicContact CD1-CG1 4.43Å; L262-I426 HydrophobicContact CD1-CG2 3.42Å; L262-I426 VanDerWaalsContact CD1-CG2 3.42Å; F421-I426 HydrophobicContact CB-CD1 3.79Å; G422-I426 WeakPolarHBondContact O-CG1 3.39Å; G422-I426 PolarHBondContact O-N 2.86Å; E423-I426 PolarHBondContact O-N 3.16Å; I426-A428 VanDerWaalsContact C-N 3.33Å; I426-A428 PolarHBondContact O-N 2.99Å; I426-L429 PolarHBondContact O-N 3.28Å; I426-W430 WeakPolarHBondContact O-CB 3.4Å; I426-W430 PolarHBondContact O-N 2.85Å
427	R	84.3	Confident	82	Confident	80 Å²	80	31.2 Å²	31.2	30%	0.302	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-40.8	180	-67.7	178.7	-172	-91.2	1	111.5	V253 E423 G424 N425 R431	V253-R427 HydrophobicContact CG1-CG 4.21Å; V253-R427 HydrophobicContact CG2-CG 4.13Å; E423-R427 PolarHBondContact O-N 3.31Å; E423-R427 VanDerWaalsContact O-N 3.17Å; E423-R427 IonicContact OE1-CZ 2.72Å; E423-R427 IonicContact OE1-NE 2.8Å; E423-R427 PolarHBondContact OE1-NE 2.99Å; E423-R427 IonicContact OE1-NH2 2.78Å; E423-R427 PolarHBondContact OE1-NH2 3.44Å; G424-R427 PolarHBondContact O-N 2.81Å; N425-R427 VanDerWaalsContact C-N 3.33Å; N425-R427 PolarHBondContact O-N 3.29Å; R427-R431 WeakPolarHBondContact O-CG 3.18Å; R427-R431 PolarHBondContact O-N 2.99Å
428	A	84.3	Confident	82	Confident	6 Å²	6	32.2 Å²	32.2	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-46.2	178.5	0	0	0	0	0	112.2	Y346 L372 G424 N425 I426 W430 R431 S432	Y346-A428 HydrophobicContact CD2-CB 4.34Å; Y346-A428 HydrophobicContact CE2-CB 4.02Å; L372-A428 HydrophobicContact CD1-CB 3.9Å; L372-A428 HydrophobicContact CD2-CB 3.92Å; G424-A428 WeakPolarHBondContact O-CB 3.49Å; G424-A428 PolarHBondContact O-N 3.48Å; N425-A428 PolarHBondContact O-N 3.43Å; I426-A428 VanDerWaalsContact C-N 3.33Å; I426-A428 PolarHBondContact O-N 2.99Å; A428-W430 VanDerWaalsContact C-N 3.33Å; A428-W430 PolarHBondContact O-N 3.35Å; A428-R431 WeakPolarHBondContact O-CB 3.14Å; A428-R431 PolarHBondContact O-N 3.43Å; A428-S432 PolarHBondContact O-N 2.87Å; A428-S432 PolarHBondContact O-OG 3.24Å
429	L	83.8	Confident	82	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-46	175.5	-73.8	164	0	0	0	111.2	L372 Q396 F398 N425 I426 R431 S432 V433	L372-L429 HydrophobicContact CD1-CB 4.3Å; L372-L429 HydrophobicContact CD1-CD1 4.42Å; L372-L429 HydrophobicContact CD1-CD2 3.39Å; L372-L429 HydrophobicContact CD1-CG 3.38Å; Q396-L429 HydrophobicContact CB-CD1 4.1Å; F398-L429 HydrophobicContact CB-CD2 4.39Å; F398-L429 HydrophobicContact CD1-CD1 4.35Å; F398-L429 HydrophobicContact CD1-CD2 3.86Å; F398-L429 HydrophobicContact CD2-CB 4.28Å; F398-L429 HydrophobicContact CD2-CD2 3.88Å; F398-L429 HydrophobicContact CE1-CD1 3.7Å; F398-L429 HydrophobicContact CE1-CD2 4.04Å; F398-L429 HydrophobicContact CE1-CG 4.37Å; F398-L429 HydrophobicContact CE2-CB 3.85Å; F398-L429 HydrophobicContact CE2-CD1 4.21Å; F398-L429 HydrophobicContact CE2-CD2 4.09Å; F398-L429 HydrophobicContact CE2-CG 4.25Å; F398-L429 HydrophobicContact CG-CD2 3.78Å; F398-L429 HydrophobicContact CZ-CB 4.14Å; F398-L429 HydrophobicContact CZ-CD1 3.65Å; F398-L429 HydrophobicContact CZ-CD2 4.19Å; F398-L429 HydrophobicContact CZ-CG 4.19Å; N425-L429 HydrophobicContact CB-CD1 4.44Å; N425-L429 VanDerWaalsContact O-CB 3.29Å; N425-L429 WeakPolarHBondContact O-CB 3.41Å; N425-L429 WeakPolarHBondContact O-CD1 3.48Å; N425-L429 WeakPolarHBondContact O-CG 3.49Å; N425-L429 PolarHBondContact O-N 2.92Å; I426-L429 PolarHBondContact O-N 3.28Å; L429-R431 VanDerWaalsContact C-N 3.33Å; L429-R431 PolarHBondContact O-N 2.84Å; L429-S432 WeakPolarHBondContact O-CB 3.43Å; L429-S432 PolarHBondContact O-N 3.03Å; L429-S432 VanDerWaalsContact O-N 3.16Å; L429-V433 WeakPolarHBondContact O-CG2 3.49Å; L429-V433 PolarHBondContact O-N 3.13Å
430	W	85.3	Confident	81.9	Confident	16 Å²	16	35 Å²	35	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-56.6	-46.5	177.5	178	75.4	0	0	0	111.9	V253 Q255 V258 I426 A428 S432 V433 Q434	V253-W430 HydrophobicContact CG1-CD2 3.93Å; V253-W430 HydrophobicContact CG1-CE3 3.86Å; V253-W430 HydrophobicContact CG1-CG 4.23Å; V253-W430 HydrophobicContact CG1-CZ3 4.47Å; Q255-W430 HydrophobicContact CB-CH2 4.24Å; Q255-W430 HydrophobicContact CB-CZ3 3.92Å; Q255-W430 HydrophobicContact CG-CZ3 4.23Å; V258-W430 HydrophobicContact CB-CH2 4.09Å; V258-W430 HydrophobicContact CB-CZ2 4.06Å; V258-W430 HydrophobicContact CG1-CH2 4.31Å; V258-W430 HydrophobicContact CG1-CZ2 3.79Å; V258-W430 VanDerWaalsContact O-CH2 3.27Å; V258-W430 WeakPolarHBondContact O-CH2 3.37Å; V258-W430 WeakPolarHBondContact O-CZ2 3.45Å; I426-W430 WeakPolarHBondContact O-CB 3.4Å; I426-W430 PolarHBondContact O-N 2.85Å; A428-W430 VanDerWaalsContact C-N 3.33Å; A428-W430 PolarHBondContact O-N 3.35Å; W430-S432 PolarHBondContact O-N 2.75Å; W430-V433 PolarHBondContact O-N 3.24Å; W430-Q434 WeakPolarHBondContact O-CB 3.46Å; W430-Q434 PolarHBondContact O-N 3.43Å
431	R	83.8	Confident	81.5	Confident	118 Å²	118	37.3 Å²	37.3	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-44.2	175.5	-72.8	169.7	169.4	163.3	-2.8	112.1	Q255 R427 A428 L429 V433 Q434 A435	Q255-R431 VanDerWaalsContact CD-NE 3.25Å; R427-R431 WeakPolarHBondContact O-CG 3.18Å; R427-R431 PolarHBondContact O-N 2.99Å; A428-R431 WeakPolarHBondContact O-CB 3.14Å; A428-R431 PolarHBondContact O-N 3.43Å; L429-R431 VanDerWaalsContact C-N 3.33Å; L429-R431 PolarHBondContact O-N 2.84Å; R431-V433 PolarHBondContact O-N 2.68Å; R431-Q434 PolarHBondContact O-N 3.46Å; R431-A435 WeakPolarHBondContact O-CB 3.32Å; R431-A435 PolarHBondContact O-N 3.42Å
432	S	84.2	Confident	81	Confident	5 Å²	5	45 Å²	45	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-44.1	-179.3	-51.2	0	0	0	0	112	P342 A428 L429 W430 Y436	P342-S432 WeakPolarHBondContact CA-OG 3.17Å; A428-S432 PolarHBondContact O-N 2.87Å; A428-S432 PolarHBondContact O-OG 3.24Å; L429-S432 WeakPolarHBondContact O-CB 3.43Å; L429-S432 PolarHBondContact O-N 3.03Å; L429-S432 VanDerWaalsContact O-N 3.16Å; W430-S432 PolarHBondContact O-N 2.75Å; S432-Y436 PolarHBondContact O-N 3.05Å
433	V	83	Confident	80.6	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-43.3	178.5	177.1	0	0	0	0	110.9	Q302 F340 F398 L429 W430 R431 Y436 M437	Q302-V433 HydrophobicContact CB-CG1 3.79Å; Q302-V433 HydrophobicContact CG-CG1 4.05Å; F340-V433 HydrophobicContact CD2-CG2 3.98Å; F340-V433 HydrophobicContact CE2-CG2 3.97Å; F340-V433 HydrophobicContact CG-CG2 4.23Å; F340-V433 HydrophobicContact CZ-CG1 4.47Å; F340-V433 HydrophobicContact CZ-CG2 4.26Å; F398-V433 HydrophobicContact CD2-CG2 3.91Å; F398-V433 HydrophobicContact CE2-CG2 4.45Å; L429-V433 WeakPolarHBondContact O-CG2 3.49Å; L429-V433 PolarHBondContact O-N 3.13Å; W430-V433 PolarHBondContact O-N 3.24Å; R431-V433 PolarHBondContact O-N 2.68Å; V433-Y436 PolarHBondContact O-N 3.23Å; V433-M437 HydrophobicContact CG1-CE 4.26Å; V433-M437 WeakPolarHBondContact O-CG 3.4Å; V433-M437 PolarHBondContact O-N 3.34Å; V433-M437 VanDerWaalsContact O-N 3.14Å
434	Q	84.3	Confident	79.6	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-45	178.6	-177.1	63.8	26.2	0	0	111.7	W430 R431 Y436 M437 E438	W430-Q434 WeakPolarHBondContact O-CB 3.46Å; W430-Q434 PolarHBondContact O-N 3.43Å; R431-Q434 PolarHBondContact O-N 3.46Å; Q434-Y436 VanDerWaalsContact C-N 3.32Å; Q434-Y436 PolarHBondContact O-N 2.82Å; Q434-M437 PolarHBondContact O-N 2.84Å; Q434-E438 PolarHBondContact NE2-OE1 3.05Å; Q434-E438 WeakPolarHBondContact O-CG 3.3Å; Q434-E438 PolarHBondContact O-N 2.88Å
435	A	83.1	Confident	78.5	Confident	43 Å²	43	54.6 Å²	54.6	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-38.6	177.9	0	0	0	0	0	112.5	R431 E438 N439	R431-A435 WeakPolarHBondContact O-CB 3.32Å; R431-A435 PolarHBondContact O-N 3.42Å; A435-E438 PolarHBondContact O-N 3.21Å; A435-N439 PolarHBondContact O-N 2.93Å; A435-N439 VanDerWaalsContact O-N 3.11Å
436	Y	82.1	Confident	77	Confident	43 Å²	43	56.3 Å²	56.3	17%	0.169	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-50.6	173.6	171.4	-103.6	0	0	0	112	F340 K400 S432 V433 Q434 E438 N439 E440	F340-Y436 HydrophobicContact CD1-CG 4.13Å; F340-Y436 AromaticContact CE1-CD1 3.47Å; F340-Y436 HydrophobicContact CE1-CD1 3.47Å; F340-Y436 VanDerWaalsContact CE1-CD1 3.47Å; F340-Y436 HydrophobicContact CE1-CD2 4.15Å; F340-Y436 HydrophobicContact CE1-CE1 4.16Å; F340-Y436 AromaticContact CE1-CG 3.45Å; F340-Y436 HydrophobicContact CE1-CG 3.45Å; F340-Y436 VanDerWaalsContact CE1-CG 3.45Å; F340-Y436 HydrophobicContact CZ-CD1 4.08Å; F340-Y436 HydrophobicContact CZ-CG 4.47Å; K400-Y436 HydrophobicContact CD-CE2 4.11Å; S432-Y436 PolarHBondContact O-N 3.05Å; V433-Y436 PolarHBondContact O-N 3.23Å; Q434-Y436 VanDerWaalsContact C-N 3.32Å; Q434-Y436 PolarHBondContact O-N 2.82Å; Y436-E438 VanDerWaalsContact C-N 3.26Å; Y436-E438 PolarHBondContact O-N 3.01Å; Y436-N439 PolarHBondContact O-N 3Å; Y436-N439 VanDerWaalsContact O-N 3.11Å; Y436-E440 HydrophobicContact CD1-CG 4.27Å; Y436-E440 HydrophobicContact CD2-CG 4.2Å; Y436-E440 HydrophobicContact CE1-CG 3.82Å; Y436-E440 HydrophobicContact CE2-CG 3.67Å; Y436-E440 WeakPolarHBondContact CE2-OE1 3.27Å; Y436-E440 HydrophobicContact CG-CG 4.46Å; Y436-E440 VanDerWaalsContact CZ-CG 3.47Å; Y436-E440 VanDerWaalsContact CZ-OE1 3.26Å; Y436-E440 WeakPolarHBondContact O-CG 3.25Å; Y436-E440 PolarHBondContact O-N 2.72Å; Y436-E440 PolarHBondContact OH-OE1 3.02Å
437	M	78.6	Confident	75.3	Confident	16 Å²	16	62.1 Å²	62.1	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-33.8	-179.3	-70.5	-174.2	168.7	0	0	112.6	Q302 T305 D406 V433 Q434 R441	Q302-M437 WeakPolarHBondContact CA-SD 3.22Å; Q302-M437 HydrophobicContact CB-CE 3.68Å; Q302-M437 HydrophobicContact CB-SD 3.49Å; Q302-M437 WeakPolarHBondContact CB-SD 3.42Å; T305-M437 HydrophobicContact CG2-CE 4Å; T305-M437 HydrophobicContact CG2-SD 4.08Å; D406-M437 HydrophobicContact CB-CE 4.11Å; V433-M437 HydrophobicContact CG1-CE 4.26Å; V433-M437 WeakPolarHBondContact O-CG 3.4Å; V433-M437 PolarHBondContact O-N 3.34Å; V433-M437 VanDerWaalsContact O-N 3.14Å; Q434-M437 PolarHBondContact O-N 2.84Å; M437-R441 VanDerWaalsContact O-CG 3.23Å; M437-R441 WeakPolarHBondContact O-CG 3.42Å; M437-R441 PolarHBondContact O-N 3Å
438	E	81.2	Confident	73.3	Confident	74 Å²	74	63.9 Å²	63.9	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-37.3	174.9	-74	174.7	-167.6	0	0	112.7	Q434 A435 Y436 R442	Q434-E438 PolarHBondContact NE2-OE1 3.05Å; Q434-E438 WeakPolarHBondContact O-CG 3.3Å; Q434-E438 PolarHBondContact O-N 2.88Å; A435-E438 PolarHBondContact O-N 3.21Å; Y436-E438 VanDerWaalsContact C-N 3.26Å; Y436-E438 PolarHBondContact O-N 3.01Å; E438-R442 WeakPolarHBondContact O-CG 3.48Å; E438-R442 PolarHBondContact O-N 2.97Å
439	N	80.2	Confident	71.6	Confident	85 Å²	85	68 Å²	68	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-68.3	-47.7	176	-74.2	-12.3	0	0	0	111.8	A435 Y436 R441 R442 D443	A435-N439 PolarHBondContact O-N 2.93Å; A435-N439 VanDerWaalsContact O-N 3.11Å; Y436-N439 PolarHBondContact O-N 3Å; Y436-N439 VanDerWaalsContact O-N 3.11Å; N439-R441 PolarHBondContact O-N 3.04Å; N439-R442 WeakPolarHBondContact O-CA 3.27Å; N439-R442 WeakPolarHBondContact O-CB 3.36Å; N439-R442 PolarHBondContact O-N 3.31Å; N439-D443 PolarHBondContact O-N 2.84Å
440	E	74.8	Confident	69.7	Low	82 Å²	82	75.5 Å²	75.5	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-36.7	177.4	-69.2	-73.4	156.9	0	0	112.3	Y436 S444	Y436-E440 HydrophobicContact CD1-CG 4.27Å; Y436-E440 HydrophobicContact CD2-CG 4.2Å; Y436-E440 HydrophobicContact CE1-CG 3.82Å; Y436-E440 HydrophobicContact CE2-CG 3.67Å; Y436-E440 WeakPolarHBondContact CE2-OE1 3.27Å; Y436-E440 HydrophobicContact CG-CG 4.46Å; Y436-E440 VanDerWaalsContact CZ-CG 3.47Å; Y436-E440 VanDerWaalsContact CZ-OE1 3.26Å; Y436-E440 WeakPolarHBondContact O-CG 3.25Å; Y436-E440 PolarHBondContact O-N 2.72Å; Y436-E440 PolarHBondContact OH-OE1 3.02Å; E440-S444 WeakPolarHBondContact O-CB 3.37Å; E440-S444 PolarHBondContact O-N 3.2Å; E440-S444 PolarHBondContact O-OG 3.02Å
441	R	71.9	Confident	67.7	Low	69 Å²	69	79.2 Å²	79.2	26%	0.26	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-35.9	173.6	-74.9	174	-170.8	166.8	9.4	112.9	R300 T305 M437 N439 S444 Q445	R300-R441 VanDerWaalsContact NE-NH2 3.13Å; T305-R441 PolarHBondContact OG1-NH2 2.88Å; M437-R441 VanDerWaalsContact O-CG 3.23Å; M437-R441 WeakPolarHBondContact O-CG 3.42Å; M437-R441 PolarHBondContact O-N 3Å; N439-R441 PolarHBondContact O-N 3.04Å; R441-S444 WeakPolarHBondContact CA-OG 3.02Å; R441-S444 PolarHBondContact O-OG 2.58Å; R441-S444 VanDerWaalsContact O-OG 3.07Å; R441-Q445 WeakPolarHBondContact O-CB 3.41Å; R441-Q445 VanDerWaalsContact O-CG 3.23Å; R441-Q445 WeakPolarHBondContact O-CG 3.45Å; R441-Q445 PolarHBondContact O-N 3.11Å
442	R	70.6	Confident	65.9	Low	165 Å²	165	77.4 Å²	77.4	62%	0.623	42%	0.415	S	S	*	.	H	α-helix	trans	-71	-41.6	177.5	-72.7	173.1	-175.6	-179.3	5.7	111	E438 N439 Q445 G446	E438-R442 WeakPolarHBondContact O-CG 3.48Å; E438-R442 PolarHBondContact O-N 2.97Å; N439-R442 WeakPolarHBondContact O-CA 3.27Å; N439-R442 WeakPolarHBondContact O-CB 3.36Å; N439-R442 PolarHBondContact O-N 3.31Å; R442-Q445 PolarHBondContact O-N 3.07Å; R442-G446 PolarHBondContact O-N 2.76Å
443	D	69.1	Low	63.7	Low	104 Å²	104	88 Å²	88	56%	0.556	46%	0.464	S	S	*	.	H	α-helix	trans	-65.2	-45.6	-180	-67.6	-17.2	0	0	0	111	N439 Q445 G446 E447	N439-D443 PolarHBondContact O-N 2.84Å; D443-Q445 VanDerWaalsContact C-N 3.3Å; D443-Q445 PolarHBondContact O-N 2.89Å; D443-G446 PolarHBondContact O-N 3.31Å; D443-G446 VanDerWaalsContact O-N 3.12Å; D443-E447 PolarHBondContact O-N 2.77Å
444	S	60.8	Low	62.7	Low	60 Å²	60	92.1 Å²	92.1	42%	0.42	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-28.7	174.8	54.3	0	0	0	0	114.3	E440 R441 N448	E440-S444 WeakPolarHBondContact O-CB 3.37Å; E440-S444 PolarHBondContact O-N 3.2Å; E440-S444 PolarHBondContact O-OG 3.02Å; R441-S444 WeakPolarHBondContact CA-OG 3.02Å; R441-S444 PolarHBondContact O-OG 2.58Å; R441-S444 VanDerWaalsContact O-OG 3.07Å; S444-N448 PolarHBondContact O-ND2 3.27Å
445	Q	56.8	Low	61.6	Low	138 Å²	138	96.4 Å²	96.4	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-77.3	-32.9	172.2	-74.6	177.4	8.4	0	0	112.4	R441 R442 D443 V449	R441-Q445 WeakPolarHBondContact O-CB 3.41Å; R441-Q445 VanDerWaalsContact O-CG 3.23Å; R441-Q445 WeakPolarHBondContact O-CG 3.45Å; R441-Q445 PolarHBondContact O-N 3.11Å; R442-Q445 PolarHBondContact O-N 3.07Å; D443-Q445 VanDerWaalsContact C-N 3.3Å; D443-Q445 PolarHBondContact O-N 2.89Å; Q445-V449 WeakPolarHBondContact O-CG2 3.21Å
446	G	50	Low	60.4	Low	37 Å²	37	99.4 Å²	99.4	38%	0.381	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-40	176.8	0	0	0	0	0	113.6	R442 D443 N448 V449 Q450	R442-G446 PolarHBondContact O-N 2.76Å; D443-G446 PolarHBondContact O-N 3.31Å; D443-G446 VanDerWaalsContact O-N 3.12Å; G446-N448 PolarHBondContact O-N 3.01Å; G446-V449 PolarHBondContact O-N 3.35Å; G446-Q450 PolarHBondContact O-N 3.38Å
447	E	48.5	Very low	59.1	Low	141 Å²	141	102.7 Å²	102.7	66%	0.659	54%	0.537	S	S	*	.	H	α-helix	trans	-67.4	-32.7	178	-71.4	-173.2	154.1	0	0	113.1	D443 V449 Q450 S451	D443-E447 PolarHBondContact O-N 2.77Å; E447-V449 VanDerWaalsContact C-N 3.27Å; E447-V449 PolarHBondContact O-N 3.08Å; E447-Q450 PolarHBondContact O-N 3.2Å; E447-S451 PolarHBondContact O-N 2.84Å; E447-S451 PolarHBondContact O-OG 3.2Å
448	N	43.5	Very low	57.9	Low	116 Å²	116	108.1 Å²	108.1	62%	0.62	57%	0.566	S	S	*	*	H	α-helix	trans	-69.7	-21.8	175.1	-87.5	-34.8	0	0	0	113.5	S444 G446 S451	S444-N448 PolarHBondContact O-ND2 3.27Å; G446-N448 PolarHBondContact O-N 3.01Å; N448-S451 PolarHBondContact O-OG 2.84Å
449	V	47.9	Very low	56.3	Low	93 Å²	93	110.4 Å²	110.4	56%	0.564	58%	0.58	S	S	*	*	H	α-helix	trans	-84.9	-30	176.7	179.4	0	0	0	0	111.3	Q445 G446 E447	Q445-V449 WeakPolarHBondContact O-CG2 3.21Å; G446-V449 PolarHBondContact O-N 3.35Å; E447-V449 VanDerWaalsContact C-N 3.27Å; E447-V449 PolarHBondContact O-N 3.08Å
450	Q	43.2	Very low	54.6	Low	165 Å²	165	112.2 Å²	112.2	77%	0.771	59%	0.589	S	S	*	*	H	α-helix	trans	-80.7	-24.7	177.3	-75.7	-177.4	-11.7	0	0	114	G446 E447 A452	G446-Q450 PolarHBondContact O-N 3.38Å; E447-Q450 PolarHBondContact O-N 3.2Å; Q450-A452 VanDerWaalsContact C-N 3.31Å
451	S	44.6	Very low	53.1	Low	93 Å²	93	114.5 Å²	114.5	65%	0.65	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-6.2	174.9	52.5	0	0	0	0	114.1	E447 N448	E447-S451 PolarHBondContact O-N 2.84Å; E447-S451 PolarHBondContact O-OG 3.2Å; N448-S451 PolarHBondContact O-OG 2.84Å
452	A	44.5	Very low	51.5	Low	80 Å²	80	118.3 Å²	118.3	66%	0.661	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	11.2	178.7	0	0	0	0	0	114	Q450	Q450-A452 VanDerWaalsContact C-N 3.31Å
453	H	38.6	Very low	49.8	Very low	228 Å²	228	114.1 Å²	114.1	100%	1.056	64%	0.635	S	S	*	*			trans	-117.2	0	-179.8	-87	-46.2	0	0	0	114.1

Retrieved 453 of 453 residues in 356.2 ms (Link to these results)

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