A0A077ZHA0_TRITR Loading...

Integrator complex subunit 11

AlphaFold DB , UniProt , Accession A0A077ZHA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 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	69.9	Low	88	Confident	130 Å²	130	20.5 Å²	20.5	64%	0.64	11%	0.105	S	C	*	.				0	138	0	-172.5	-178.5	-67.8	0	0	107.9	H445 V446 T448	M1-H445 HydrophobicContact SD-CB 4.4Å; M1-V446 WeakPolarHBondContact CA-O 3.35Å; M1-T448 PolarHBondContact N-OG1 3.37Å; M1-T448 VanDerWaalsContact N-OG1 3.1Å
2	F	75.1	Confident	88.5	Confident	8 Å²	8	21 Å²	21	4%	0.035	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.7	-179.6	-86.6	-123	0	0	0	108	I22 H172 V446 T448	F2-I22 HydrophobicContact CD1-CD1 3.67Å; F2-I22 HydrophobicContact CD1-CG1 3.5Å; F2-I22 HydrophobicContact CD2-CG1 4.41Å; F2-I22 HydrophobicContact CE1-CB 4.27Å; F2-I22 HydrophobicContact CE1-CD1 3.08Å; F2-I22 HydrophobicContact CE1-CG1 3.26Å; F2-I22 HydrophobicContact CE1-CG2 3.99Å; F2-I22 HydrophobicContact CE2-CG1 4.17Å; F2-I22 HydrophobicContact CE2-CG2 3.68Å; F2-I22 HydrophobicContact CG-CG1 4.05Å; F2-I22 HydrophobicContact CZ-CB 4.05Å; F2-I22 HydrophobicContact CZ-CD1 3.61Å; F2-I22 HydrophobicContact CZ-CG1 3.53Å; F2-I22 HydrophobicContact CZ-CG2 3.3Å; F2-H172 HydrophobicContact CE1-CB 3.63Å; F2-H172 AromaticContact CE1-CG 3.9Å; F2-H172 HydrophobicContact CE2-CB 3.95Å; F2-H172 AromaticContact CE2-CD2 3.12Å; F2-H172 WeakPolarHBondContact CE2-CD2 2.86Å; F2-H172 AromaticContact CE2-CE1 3.71Å; F2-H172 AromaticContact CE2-CG 3.26Å; F2-H172 AromaticContact CE2-ND1 3.58Å; F2-H172 AromaticContact CE2-NE2 3.41Å; F2-H172 WeakPolarHBondContact CE2-NE2 3.47Å; F2-H172 HydrophobicContact CZ-CB 3.12Å; F2-H172 AromaticContact CZ-CD2 3.1Å; F2-H172 WeakPolarHBondContact CZ-CD2 3.47Å; F2-H172 AromaticContact CZ-CG 2.96Å; F2-H172 AromaticContact CZ-ND1 3.69Å; F2-H172 AromaticContact CZ-NE2 3.9Å; F2-V446 HydrophobicContact CB-CB 3.99Å; F2-V446 PolarHBondContact N-O 2.61Å; F2-V446 PolarHBondContact O-N 3.43Å; F2-T448 HydrophobicContact CB-CG2 4.48Å; F2-T448 HydrophobicContact CD2-CG2 3.14Å; F2-T448 HydrophobicContact CE2-CG2 3.57Å; F2-T448 HydrophobicContact CG-CG2 3.93Å
3	N	86.3	Confident	88.7	Confident	44 Å²	44	19.9 Å²	19.9	24%	0.235	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.5	171.7	-56	-32.7	0	0	0	108.5	S21 T443 H445	N3-S21 PolarHBondContact N-O 2.88Å; N3-S21 PolarHBondContact O-N 3.3Å; N3-T443 HydrophobicContact CB-CG2 4.09Å; N3-H445 PolarHBondContact OD1-ND1 3.22Å
4	L	88.8	Confident	88.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.4	174.9	-58.9	170.3	0	0	0	107.3	L19 I20 L174 V199 I201 M411 T443 V444	L4-L19 WeakPolarHBondContact CA-O 3.49Å; L4-I20 HydrophobicContact CD2-CB 4.35Å; L4-I20 HydrophobicContact CD2-CD1 4.39Å; L4-I20 HydrophobicContact CD2-CG1 3.76Å; L4-I20 HydrophobicContact CD2-CG2 4.17Å; L4-L174 HydrophobicContact CD2-CD2 4.49Å; L4-V199 HydrophobicContact CD1-CB 4.44Å; L4-V199 HydrophobicContact CD1-CG1 3.88Å; L4-V199 HydrophobicContact CD1-CG2 4.32Å; L4-I201 HydrophobicContact CD1-CD1 4.14Å; L4-I201 HydrophobicContact CD1-CG1 4.48Å; L4-I201 HydrophobicContact CD2-CD1 4.19Å; L4-M411 HydrophobicContact CB-CE 4.1Å; L4-M411 HydrophobicContact CB-SD 4.08Å; L4-M411 HydrophobicContact CD1-CE 4.02Å; L4-M411 HydrophobicContact CD1-SD 3.91Å; L4-T443 CarbonylContact O-C 3.09Å; L4-T443 WeakPolarHBondContact O-CA 3.15Å; L4-V444 HydrophobicContact CB-CB 4.35Å; L4-V444 PolarHBondContact N-O 2.81Å; L4-V444 PolarHBondContact O-N 3.45Å
5	I	91.4	Very high	89.3	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	179.1	-50.4	128.1	0	0	0	107.5	V7 L19 Y48 T443	I5-V7 HydrophobicContact CG2-CG1 4.13Å; I5-L19 HydrophobicContact CB-CB 4.14Å; I5-L19 HydrophobicContact CD1-CB 4.06Å; I5-L19 HydrophobicContact CD1-CD1 4.5Å; I5-L19 PolarHBondContact N-O 2.85Å; I5-L19 PolarHBondContact O-N 3.09Å; I5-Y48 HydrophobicContact CD1-CE1 3.72Å; I5-Y48 WeakPolarHBondContact CD1-OH 3.3Å; I5-Y48 HydrophobicContact CG1-CE1 4.36Å; I5-Y48 HydrophobicContact CG2-CD1 4.48Å; I5-Y48 HydrophobicContact CG2-CD2 4.21Å; I5-Y48 HydrophobicContact CG2-CE1 4.35Å; I5-Y48 HydrophobicContact CG2-CE2 4.05Å; I5-Y48 HydrophobicContact CG2-CG 4.42Å; I5-T443 HydrophobicContact CG1-CG2 3.91Å; I5-T443 WeakPolarHBondContact CG1-OG1 3.39Å
6	V	92.8	Very high	89.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.1	178.6	-177.8	0	0	0	0	108.4	G8 I18 M411 V413 P438 N440 G441 H442	V6-G8 VanDerWaalsContact CG1-O 3.26Å; V6-G8 WeakPolarHBondContact CG1-O 3.41Å; V6-I18 HydrophobicContact CG2-CG1 4.48Å; V6-M411 HydrophobicContact CG2-CE 4Å; V6-M411 HydrophobicContact CG2-SD 4.38Å; V6-V413 HydrophobicContact CG2-CG1 4.34Å; V6-P438 HydrophobicContact CB-CG 4.35Å; V6-P438 HydrophobicContact CG2-CB 4.16Å; V6-P438 HydrophobicContact CG2-CG 3.5Å; V6-N440 CarbonylContact O-C 3.57Å; V6-N440 WeakPolarHBondContact O-CA 3.36Å; V6-G441 PolarHBondContact O-N 2.63Å; V6-H442 PolarHBondContact N-O 2.62Å
7	V	92.9	Very high	89.9	Confident	7 Å²	7	18 Å²	18	4%	0.042	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-4.2	177.6	-63	0	0	0	0	112.4	I5 C17 L19 P44 D45	I5-V7 HydrophobicContact CG2-CG1 4.13Å; V7-C17 HydrophobicContact CG2-CB 3.74Å; V7-C17 VanDerWaalsContact CG2-O 3.3Å; V7-C17 WeakPolarHBondContact CG2-O 3.4Å; V7-C17 WeakPolarHBondContact CG2-SG 3.42Å; V7-C17 PolarHBondContact N-O 2.93Å; V7-L19 HydrophobicContact CG1-CD1 3.96Å; V7-L19 HydrophobicContact CG1-CG 4.27Å; V7-L19 HydrophobicContact CG2-CG 4.23Å; V7-P44 HydrophobicContact CG2-CB 4.45Å; V7-D45 PolarHBondContact O-N 3.2Å
8	G	91.7	Very high	90	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	156.8	167.7	0	0	0	0	0	111.6	V6 G10 R15 C17 N440	V6-G8 VanDerWaalsContact CG1-O 3.26Å; V6-G8 WeakPolarHBondContact CG1-O 3.41Å; G8-G10 VanDerWaalsContact C-N 3.25Å; G8-G10 PolarHBondContact O-N 3.16Å; G8-R15 CarbonylContact C-O 3.45Å; G8-R15 VanDerWaalsContact CA-O 3.24Å; G8-R15 WeakPolarHBondContact CA-O 3.44Å; G8-C17 PolarHBondContact N-O 3.15Å; G8-C17 PolarHBondContact O-N 3.29Å; G8-N440 WeakPolarHBondContact CA-OD1 3.31Å; G8-N440 PolarHBondContact N-OD1 3.24Å
9	A	91.8	Very high	90	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.084	C	C	.	.	S	Bend	trans	66.1	15.2	-170.5	0	0	0	0	0	115.8	Q11 E12 G14 H414	A9-Q11 PolarHBondContact O-N 3.08Å; A9-E12 PolarHBondContact N-OE1 3.22Å; A9-G14 PolarHBondContact N-O 3.46Å; A9-H414 HydrophobicContact CB-CB 4.17Å; A9-H414 PolarHBondContact O-N 3.39Å
10	G	92.9	Very high	89.8	Confident	4 Å²	4	16 Å²	16	4%	0.041	8%	0.081	C	C	.	.	S	Bend	trans	-76.6	108.2	168.4	0	0	0	0	0	110.5	G8 E12 P438 N440	G8-G10 VanDerWaalsContact C-N 3.25Å; G8-G10 PolarHBondContact O-N 3.16Å; G10-E12 PolarHBondContact O-N 2.85Å; G10-P438 WeakPolarHBondContact CA-O 3.49Å; G10-N440 WeakPolarHBondContact CA-OD1 3.48Å; G10-N440 PolarHBondContact N-OD1 2.79Å; G10-N440 PolarHBondContact O-ND2 2.79Å
11	Q	94.4	Very high	89.5	Confident	30 Å²	30	16.2 Å²	16.2	14%	0.14	8%	0.084	C	C	.	.	S	Bend	trans	59.6	22.7	-179.6	-57.6	-175.6	4.4	0	0	115.8	A9 G415 E417 M420 K437 E439	A9-Q11 PolarHBondContact O-N 3.08Å; Q11-G415 CarbonylContact C-O 3.35Å; Q11-G415 WeakPolarHBondContact CA-O 3.37Å; Q11-E417 HydrophobicContact CB-CB 4.03Å; Q11-E417 HydrophobicContact CG-CB 4.4Å; Q11-E417 HydrophobicContact CG-CG 4.41Å; Q11-E417 PolarHBondContact O-N 3Å; Q11-E417 VanDerWaalsContact OE1-CG 3.26Å; Q11-M420 HydrophobicContact CB-SD 4.39Å; Q11-M420 HydrophobicContact CG-SD 4.24Å; Q11-K437 VanDerWaalsContact NE2-NZ 3.15Å; Q11-K437 PolarHBondContact NE2-O 2.79Å; Q11-E439 HydrophobicContact CG-CG 4.26Å; Q11-E439 VanDerWaalsContact NE2-CG 3.3Å
12	E	93.4	Very high	89.7	Confident	26 Å²	26	11.2 Å²	11.2	12%	0.121	6%	0.059	C	C	.	.	S	Bend	trans	-143.4	167.7	172.1	72.7	-162.7	155.2	0	0	110.9	A9 G10 R15 H414 G415 N440	A9-E12 PolarHBondContact N-OE1 3.22Å; G10-E12 PolarHBondContact O-N 2.85Å; E12-R15 VanDerWaalsContact CD-NE 3.27Å; E12-R15 IonicContact OE1-CZ 2.78Å; E12-R15 IonicContact OE1-NE 2.77Å; E12-R15 PolarHBondContact OE1-NE 2.91Å; E12-R15 IonicContact OE1-NH2 2.79Å; E12-R15 PolarHBondContact OE1-NH2 3.19Å; E12-R15 IonicContact OE2-CZ 3.8Å; E12-R15 VanDerWaalsContact OE2-CZ 3.32Å; E12-R15 IonicContact OE2-NE 3.97Å; E12-R15 PolarHBondContact OE2-NE 3.36Å; E12-R15 IonicContact OE2-NH2 3.75Å; E12-R15 PolarHBondContact OE2-NH2 3.02Å; E12-H414 CarbonylContact O-C 3.53Å; E12-H414 VanDerWaalsContact O-CA 3.28Å; E12-H414 WeakPolarHBondContact O-CA 3.41Å; E12-G415 CarbonylContact C-O 3.18Å; E12-G415 WeakPolarHBondContact CA-O 3.44Å; E12-G415 PolarHBondContact N-O 3.29Å; E12-G415 PolarHBondContact O-N 3.5Å; E12-N440 PolarHBondContact OE1-ND2 2.97Å
13	V	91.3	Very high	89.4	Confident	7 Å²	7	14.1 Å²	14.1	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-101.4	130.4	171.9	179	0	0	0	0	108.7	H34 T205 Y353 V355	V13-H34 PolarHBondContact O-CD2 3.02Å; V13-H34 PolarHBondContact O-NE2 3.43Å; V13-T205 HydrophobicContact CG1-CG2 4.29Å; V13-T205 HydrophobicContact CG2-CG2 4.36Å; V13-Y353 HydrophobicContact CB-CE1 3.76Å; V13-Y353 HydrophobicContact CG1-CD1 3.98Å; V13-Y353 HydrophobicContact CG1-CE1 3.63Å; V13-Y353 HydrophobicContact CG2-CE1 3.87Å; V13-V355 WeakPolarHBondContact O-CG2 3.47Å
14	G	92.1	Very high	88.8	Confident	4 Å²	4	14.7 Å²	14.7	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	106.9	169.8	-176.8	0	0	0	0	0	114.5	A9 S16 H414	A9-G14 PolarHBondContact N-O 3.46Å; G14-S16 PolarHBondContact O-N 2.84Å; G14-S16 VanDerWaalsContact O-N 3.13Å; G14-H414 PolarHBondContact N-CD2 2.78Å; G14-H414 PolarHBondContact N-NE2 2.71Å
15	R	94.5	Very high	88.2	Confident	35 Å²	35	18.6 Å²	18.6	13%	0.132	12%	0.123	C	C	.	.			trans	45.2	36.9	-177.9	66.1	178.2	177.3	179.5	5.6	115.4	G8 E12 C17 M33 H34 R41 N440	G8-R15 CarbonylContact C-O 3.45Å; G8-R15 VanDerWaalsContact CA-O 3.24Å; G8-R15 WeakPolarHBondContact CA-O 3.44Å; E12-R15 VanDerWaalsContact CD-NE 3.27Å; E12-R15 IonicContact OE1-CZ 2.78Å; E12-R15 IonicContact OE1-NE 2.77Å; E12-R15 PolarHBondContact OE1-NE 2.91Å; E12-R15 IonicContact OE1-NH2 2.79Å; E12-R15 PolarHBondContact OE1-NH2 3.19Å; E12-R15 IonicContact OE2-CZ 3.8Å; E12-R15 VanDerWaalsContact OE2-CZ 3.32Å; E12-R15 IonicContact OE2-NE 3.97Å; E12-R15 PolarHBondContact OE2-NE 3.36Å; E12-R15 IonicContact OE2-NH2 3.75Å; E12-R15 PolarHBondContact OE2-NH2 3.02Å; R15-C17 PolarHBondContact O-N 3.26Å; R15-C17 VanDerWaalsContact O-N 3.16Å; R15-M33 PolarHBondContact N-O 3.41Å; R15-M33 VanDerWaalsContact N-O 3.08Å; R15-H34 HydrophobicContact CB-CB 3.97Å; R15-H34 HydrophobicContact CG-CB 3.92Å; R15-R41 PolarHBondContact NH1-O 3.11Å; R15-N440 PolarHBondContact NH2-ND2 2.78Å
16	S	93.8	Very high	88	Confident	7 Å²	7	19.5 Å²	19.5	5%	0.049	13%	0.128	C	C	.	.			trans	-50.5	121.7	179.9	-61.7	0	0	0	0	111.4	G14 D30 C31 G32 D70 H71 H414	G14-S16 PolarHBondContact O-N 2.84Å; G14-S16 VanDerWaalsContact O-N 3.13Å; S16-D30 CarbonylContact O-C 3.59Å; S16-D30 VanDerWaalsContact O-CB 3.31Å; S16-D30 WeakPolarHBondContact O-CB 3.38Å; S16-C31 PolarHBondContact O-N 3.31Å; S16-G32 PolarHBondContact O-N 3.04Å; S16-D70 VanDerWaalsContact CB-O 3.3Å; S16-D70 WeakPolarHBondContact CB-O 3.24Å; S16-D70 PolarHBondContact N-O 3.23Å; S16-D70 PolarHBondContact OG-O 3.3Å; S16-H71 PolarHBondContact OG-CE1 3.31Å; S16-H71 VanDerWaalsContact OG-CE1 3.27Å; S16-H414 PolarHBondContact OG-CD2 2.94Å
17	C	94.9	Very high	87.7	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	116.3	177	-167.3	0	0	0	0	110.2	V7 G8 R15 L29 D30 P44	V7-C17 HydrophobicContact CG2-CB 3.74Å; V7-C17 VanDerWaalsContact CG2-O 3.3Å; V7-C17 WeakPolarHBondContact CG2-O 3.4Å; V7-C17 WeakPolarHBondContact CG2-SG 3.42Å; V7-C17 PolarHBondContact N-O 2.93Å; G8-C17 PolarHBondContact N-O 3.15Å; G8-C17 PolarHBondContact O-N 3.29Å; R15-C17 PolarHBondContact O-N 3.26Å; R15-C17 VanDerWaalsContact O-N 3.16Å; C17-L29 WeakPolarHBondContact CA-O 3.45Å; C17-D30 PolarHBondContact SG-O 3.11Å; C17-P44 HydrophobicContact CB-CB 3.67Å; C17-P44 HydrophobicContact CB-CG 3.64Å
18	I	92.1	Very high	87.5	Confident	9 Å²	9	20 Å²	20	5%	0.046	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	-175.5	-56.9	171.1	0	0	0	108.9	V6 I20 M28 L29 L176 I201 M411 V413	V6-I18 HydrophobicContact CG2-CG1 4.48Å; I18-I20 HydrophobicContact CG2-CG1 4.37Å; I18-M28 CarbonylContact O-C 2.91Å; I18-M28 WeakPolarHBondContact O-CA 3.47Å; I18-L29 HydrophobicContact CB-CB 4.43Å; I18-L29 PolarHBondContact N-O 3.17Å; I18-L29 PolarHBondContact O-N 3.13Å; I18-L176 HydrophobicContact CD1-CD2 3.69Å; I18-I201 HydrophobicContact CD1-CG2 4.1Å; I18-M411 HydrophobicContact CD1-CE 4.34Å; I18-M411 HydrophobicContact CG2-CE 4.37Å; I18-V413 HydrophobicContact CD1-CB 4.49Å; I18-V413 HydrophobicContact CD1-CG1 4.01Å; I18-V413 HydrophobicContact CD1-CG2 4.22Å
19	L	90.4	Very high	87.4	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.2	172	-49.5	174.6	0	0	0	109.5	L4 I5 V7 M28 Y48 I49 Y58 L59	L4-L19 WeakPolarHBondContact CA-O 3.49Å; I5-L19 HydrophobicContact CB-CB 4.14Å; I5-L19 HydrophobicContact CD1-CB 4.06Å; I5-L19 HydrophobicContact CD1-CD1 4.5Å; I5-L19 PolarHBondContact N-O 2.85Å; I5-L19 PolarHBondContact O-N 3.09Å; V7-L19 HydrophobicContact CG1-CD1 3.96Å; V7-L19 HydrophobicContact CG1-CG 4.27Å; V7-L19 HydrophobicContact CG2-CG 4.23Å; L19-M28 HydrophobicContact CD2-CB 3.91Å; L19-M28 HydrophobicContact CD2-CE 3.51Å; L19-M28 HydrophobicContact CD2-CG 3.98Å; L19-Y48 HydrophobicContact CD1-CD1 3.67Å; L19-Y48 HydrophobicContact CD1-CE1 4.07Å; L19-I49 HydrophobicContact CD1-CD1 3.75Å; L19-I49 HydrophobicContact CD1-CG1 3.89Å; L19-I49 HydrophobicContact CD2-CD1 3.98Å; L19-Y58 HydrophobicContact CD1-CE1 4.22Å; L19-L59 HydrophobicContact CD2-CD2 4Å
20	I	85.8	Confident	87.4	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.6	-179.2	-60.5	178	0	0	0	107.8	L4 I18 I22 N26 V27 L29 L174	L4-I20 HydrophobicContact CD2-CB 4.35Å; L4-I20 HydrophobicContact CD2-CD1 4.39Å; L4-I20 HydrophobicContact CD2-CG1 3.76Å; L4-I20 HydrophobicContact CD2-CG2 4.17Å; I18-I20 HydrophobicContact CG2-CG1 4.37Å; I20-I22 HydrophobicContact CG2-CD1 3.24Å; I20-I22 HydrophobicContact CG2-CG1 3.53Å; I20-N26 CarbonylContact O-C 3.56Å; I20-N26 VanDerWaalsContact O-CA 3.23Å; I20-N26 WeakPolarHBondContact O-CA 3.3Å; I20-V27 HydrophobicContact CB-CB 4.48Å; I20-V27 PolarHBondContact N-O 2.81Å; I20-V27 PolarHBondContact O-N 2.73Å; I20-L29 HydrophobicContact CD1-CD1 3.2Å; I20-L29 HydrophobicContact CD1-CD2 4.23Å; I20-L29 HydrophobicContact CD1-CG 3.49Å; I20-L29 VanDerWaalsContact CD1-CG 3.49Å; I20-L29 HydrophobicContact CG1-CD1 4.23Å; I20-L29 HydrophobicContact CG1-CG 4.29Å; I20-L174 HydrophobicContact CD1-CD2 3.16Å; I20-L174 HydrophobicContact CG1-CD2 4.24Å
21	S	83.3	Confident	87.5	Confident	22 Å²	22	20.2 Å²	20.2	15%	0.154	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.2	170.3	-161.8	0	0	0	0	110.5	N3 R25 N26	N3-S21 PolarHBondContact N-O 2.88Å; N3-S21 PolarHBondContact O-N 3.3Å; S21-R25 WeakPolarHBondContact CA-O 3.4Å; S21-N26 VanDerWaalsContact CB-OD1 3.25Å; S21-N26 WeakPolarHBondContact CB-OD1 3.48Å; S21-N26 PolarHBondContact OG-OD1 2.88Å
22	I	74	Confident	87.6	Confident	24 Å²	24	18.8 Å²	18.8	12%	0.123	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.7	-178.7	-60.1	163.2	0	0	0	108.6	F2 I20 G24 R25	F2-I22 HydrophobicContact CD1-CD1 3.67Å; F2-I22 HydrophobicContact CD1-CG1 3.5Å; F2-I22 HydrophobicContact CD2-CG1 4.41Å; F2-I22 HydrophobicContact CE1-CB 4.27Å; F2-I22 HydrophobicContact CE1-CD1 3.08Å; F2-I22 HydrophobicContact CE1-CG1 3.26Å; F2-I22 HydrophobicContact CE1-CG2 3.99Å; F2-I22 HydrophobicContact CE2-CG1 4.17Å; F2-I22 HydrophobicContact CE2-CG2 3.68Å; F2-I22 HydrophobicContact CG-CG1 4.05Å; F2-I22 HydrophobicContact CZ-CB 4.05Å; F2-I22 HydrophobicContact CZ-CD1 3.61Å; F2-I22 HydrophobicContact CZ-CG1 3.53Å; F2-I22 HydrophobicContact CZ-CG2 3.3Å; I20-I22 HydrophobicContact CG2-CD1 3.24Å; I20-I22 HydrophobicContact CG2-CG1 3.53Å; I22-G24 PolarHBondContact O-N 3.4Å; I22-R25 PolarHBondContact N-O 2.81Å; I22-R25 WeakPolarHBondContact O-CB 3.13Å; I22-R25 PolarHBondContact O-N 3.22Å
23	G	69.7	Low	87.6	Confident	69 Å²	69	17.6 Å²	17.6	71%	0.711	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	33.9	175.8	0	0	0	0	0	113.9	R25	G23-R25 VanDerWaalsContact C-N 3.26Å; G23-R25 PolarHBondContact O-N 2.91Å
24	G	72.4	Confident	87.7	Confident	57 Å²	57	17.7 Å²	17.7	59%	0.588	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	11.2	-176.1	0	0	0	0	0	114.8	I22	I22-G24 PolarHBondContact O-N 3.4Å
25	R	77.2	Confident	87.5	Confident	82 Å²	82	18.2 Å²	18.2	31%	0.309	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.5	174.5	-60	-70.1	-173.7	-112.5	-3.1	109.4	S21 I22 G23 H60 R143	S21-R25 WeakPolarHBondContact CA-O 3.4Å; I22-R25 PolarHBondContact N-O 2.81Å; I22-R25 WeakPolarHBondContact O-CB 3.13Å; I22-R25 PolarHBondContact O-N 3.22Å; G23-R25 VanDerWaalsContact C-N 3.26Å; G23-R25 PolarHBondContact O-N 2.91Å; R25-H60 VanDerWaalsContact CD-CD2 3.5Å; R25-H60 WeakPolarHBondContact CD-CD2 3.23Å; R25-H60 VanDerWaalsContact CD-NE2 3.34Å; R25-H60 WeakPolarHBondContact CD-NE2 3.48Å; R25-R143 PolarHBondContact NE-O 3Å
26	N	86.3	Confident	87.2	Confident	21 Å²	21	17.2 Å²	17.2	11%	0.112	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.3	176.6	-49.5	-48.5	0	0	0	110.4	I20 S21 Y58 L59 H60	I20-N26 CarbonylContact O-C 3.56Å; I20-N26 VanDerWaalsContact O-CA 3.23Å; I20-N26 WeakPolarHBondContact O-CA 3.3Å; S21-N26 VanDerWaalsContact CB-OD1 3.25Å; S21-N26 WeakPolarHBondContact CB-OD1 3.48Å; S21-N26 PolarHBondContact OG-OD1 2.88Å; N26-Y58 HydrophobicContact CB-CD1 4.05Å; N26-Y58 HydrophobicContact CB-CE1 3.76Å; N26-Y58 VanDerWaalsContact CB-O 3.28Å; N26-Y58 WeakPolarHBondContact CB-O 3.27Å; N26-Y58 WeakPolarHBondContact ND2-CE2 3.39Å; N26-Y58 PolarHBondContact ND2-O 2.79Å; N26-L59 HydrophobicContact CB-CD2 4.48Å; N26-H60 PolarHBondContact O-N 2.86Å
27	V	85.8	Confident	86.9	Confident	17 Å²	17	20 Å²	20	10%	0.103	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.3	177.5	177.4	0	0	0	0	107.8	I20 L29 I63 L147	I20-V27 HydrophobicContact CB-CB 4.48Å; I20-V27 PolarHBondContact N-O 2.81Å; I20-V27 PolarHBondContact O-N 2.73Å; V27-L29 HydrophobicContact CG1-CD2 4.21Å; V27-I63 HydrophobicContact CG1-CD1 3.69Å; V27-I63 HydrophobicContact CG1-CG1 3.8Å; V27-L147 HydrophobicContact CG2-CD1 4.48Å
28	M	90.2	Very high	86.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.2	169.6	177.8	-177.8	-75.7	0	0	109.3	I18 L19 C31 F46 I49 L59 C61 V62 I63 M78	I18-M28 CarbonylContact O-C 2.91Å; I18-M28 WeakPolarHBondContact O-CA 3.47Å; L19-M28 HydrophobicContact CD2-CB 3.91Å; L19-M28 HydrophobicContact CD2-CE 3.51Å; L19-M28 HydrophobicContact CD2-CG 3.98Å; M28-C31 HydrophobicContact SD-CB 4.44Å; M28-F46 HydrophobicContact CE-CD1 4.01Å; M28-F46 HydrophobicContact CE-CE1 3.63Å; M28-F46 HydrophobicContact SD-CE1 4.28Å; M28-I49 HydrophobicContact CE-CD1 4.31Å; M28-L59 HydrophobicContact CB-CD1 4.26Å; M28-L59 HydrophobicContact CB-CD2 3.97Å; M28-L59 HydrophobicContact CE-CD1 3.6Å; M28-L59 HydrophobicContact CE-CD2 4.49Å; M28-L59 HydrophobicContact SD-CD1 4.33Å; M28-C61 PolarHBondContact N-O 2.96Å; M28-C61 VanDerWaalsContact N-O 3.09Å; M28-V62 HydrophobicContact CB-CG1 4.42Å; M28-V62 HydrophobicContact CB-CG2 4.11Å; M28-V62 HydrophobicContact CG-CG1 4.36Å; M28-V62 CarbonylContact O-C 3.57Å; M28-V62 WeakPolarHBondContact O-CA 3.47Å; M28-V62 HydrophobicContact SD-CG1 4.34Å; M28-V62 HydrophobicContact SD-CG2 4.19Å; M28-I63 PolarHBondContact O-N 3.42Å; M28-M78 HydrophobicContact SD-CE 4.5Å
29	L	88.5	Confident	86.1	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.4	171.4	-62	-174.1	0	0	0	110.3	C17 I18 I20 V27 I63 L174 L176	C17-L29 WeakPolarHBondContact CA-O 3.45Å; I18-L29 HydrophobicContact CB-CB 4.43Å; I18-L29 PolarHBondContact N-O 3.17Å; I18-L29 PolarHBondContact O-N 3.13Å; I20-L29 HydrophobicContact CD1-CD1 3.2Å; I20-L29 HydrophobicContact CD1-CD2 4.23Å; I20-L29 HydrophobicContact CD1-CG 3.49Å; I20-L29 VanDerWaalsContact CD1-CG 3.49Å; I20-L29 HydrophobicContact CG1-CD1 4.23Å; I20-L29 HydrophobicContact CG1-CG 4.29Å; V27-L29 HydrophobicContact CG1-CD2 4.21Å; L29-I63 CarbonylContact C-O 3.58Å; L29-I63 WeakPolarHBondContact CA-O 3.28Å; L29-I63 HydrophobicContact CD2-CB 3.83Å; L29-I63 HydrophobicContact CD2-CD1 3.97Å; L29-I63 HydrophobicContact CD2-CG1 4.14Å; L29-L174 HydrophobicContact CD1-CD2 4.12Å; L29-L176 HydrophobicContact CD1-CB 4.42Å; L29-L176 HydrophobicContact CD1-CD1 3.08Å; L29-L176 HydrophobicContact CD1-CD2 3.6Å; L29-L176 HydrophobicContact CD1-CG 3.8Å
30	D	91.6	Very high	86	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.043	20%	0.201	C	C	.	.			trans	55.2	158.3	-174.3	-65.2	-31.9	0	0	0	113.3	S16 C17 I63 S65 H71	S16-D30 CarbonylContact O-C 3.59Å; S16-D30 VanDerWaalsContact O-CB 3.31Å; S16-D30 WeakPolarHBondContact O-CB 3.38Å; C17-D30 PolarHBondContact SG-O 3.11Å; D30-I63 PolarHBondContact N-O 2.93Å; D30-S65 VanDerWaalsContact CG-OG 3.25Å; D30-S65 WeakPolarHBondContact OD1-CB 3.1Å; D30-S65 PolarHBondContact OD1-N 2.64Å; D30-S65 PolarHBondContact OD1-OG 3.05Å; D30-S65 PolarHBondContact OD2-OG 3.4Å; D30-H71 HydrophobicContact CB-CB 4.29Å; D30-H71 WeakPolarHBondContact CB-O 3.45Å; D30-H71 IonicContact OD1-ND1 3.54Å; D30-H71 IonicContact OD2-CE1 3.74Å; D30-H71 IonicContact OD2-CG 3.38Å; D30-H71 IonicContact OD2-ND1 3.49Å; D30-H71 PolarHBondContact OD2-ND1 2.93Å
31	C	95.8	Very high	86.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.			trans	-154.1	68.6	177.4	-176	0	0	0	0	107.5	S16 M28 I64 H71 C72 G73 A74 L75 M78	S16-C31 PolarHBondContact O-N 3.31Å; M28-C31 HydrophobicContact SD-CB 4.44Å; C31-I64 HydrophobicContact CB-CD1 4.18Å; C31-H71 CarbonylContact C-O 3.51Å; C31-H71 PolarHBondContact N-O 3.18Å; C31-C72 CarbonylContact O-C 3.16Å; C31-C72 WeakPolarHBondContact O-CA 3.46Å; C31-G73 PolarHBondContact O-N 3.28Å; C31-A74 WeakPolarHBondContact O-CA 3.43Å; C31-A74 WeakPolarHBondContact O-CB 3.48Å; C31-A74 PolarHBondContact O-N 2.69Å; C31-A74 VanDerWaalsContact SG-C 3.56Å; C31-L75 HydrophobicContact CB-CD2 3.81Å; C31-L75 HydrophobicContact CB-CG 4.11Å; C31-L75 PolarHBondContact O-N 2.87Å; C31-M78 VanDerWaalsContact SG-CB 3.58Å
32	G	96	Very high	86.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.			trans	-88.9	174.1	-173.4	0	0	0	0	0	115.8	S16 P44 L69 D70 H71 A74	S16-G32 PolarHBondContact O-N 3.04Å; G32-P44 VanDerWaalsContact O-CD 3.28Å; G32-P44 WeakPolarHBondContact O-CD 3.42Å; G32-P44 WeakPolarHBondContact O-CG 3.34Å; G32-L69 CarbonylContact C-O 3.56Å; G32-L69 WeakPolarHBondContact CA-O 3.46Å; G32-D70 VanDerWaalsContact CA-C 3.41Å; G32-D70 VanDerWaalsContact CA-O 3.29Å; G32-D70 WeakPolarHBondContact CA-O 3.32Å; G32-H71 PolarHBondContact N-O 2.82Å; G32-A74 WeakPolarHBondContact O-CB 3.33Å
33	M	94.8	Very high	87.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.			trans	-115.4	153	168.4	-77.9	-174.2	-56.1	0	0	112.4	R15 M35 R42 F43 L69 D70 G73 A74 Y105 F118	R15-M33 PolarHBondContact N-O 3.41Å; R15-M33 VanDerWaalsContact N-O 3.08Å; M33-M35 HydrophobicContact CB-CE 3.31Å; M33-M35 HydrophobicContact CE-CE 4.27Å; M33-M35 WeakPolarHBondContact O-CE 3.35Å; M33-R42 CarbonylContact C-O 3.55Å; M33-R42 WeakPolarHBondContact CA-O 3.26Å; M33-R42 HydrophobicContact SD-CG 4.47Å; M33-F43 HydrophobicContact CG-CD1 3.81Å; M33-F43 HydrophobicContact CG-CE1 3.83Å; M33-F43 HydrophobicContact SD-CD1 4.13Å; M33-F43 HydrophobicContact SD-CE1 3.51Å; M33-F43 VanDerWaalsContact SD-CE1 3.51Å; M33-F43 HydrophobicContact SD-CZ 4.25Å; M33-L69 PolarHBondContact N-O 3.39Å; M33-D70 WeakPolarHBondContact O-CA 3.49Å; M33-G73 VanDerWaalsContact CE-O 3.23Å; M33-G73 WeakPolarHBondContact CE-O 3.38Å; M33-A74 HydrophobicContact CG-CB 3.9Å; M33-Y105 HydrophobicContact CE-CD1 3.52Å; M33-Y105 HydrophobicContact CE-CE1 3.29Å; M33-Y105 HydrophobicContact CE-CG 4.34Å; M33-Y105 HydrophobicContact SD-CE1 4.01Å; M33-F118 HydrophobicContact CE-CZ 4.46Å; M33-F118 HydrophobicContact SD-CZ 4.18Å
34	H	93.4	Very high	89	Confident	10 Å²	10	36.5 Å²	36.5	5%	0.046	19%	0.185	C	C	.	.			trans	-94.2	113.7	173.3	-174.6	-76.6	0	0	0	109.8	V13 R15 G36 Y37 R42 V355	V13-H34 PolarHBondContact O-CD2 3.02Å; V13-H34 PolarHBondContact O-NE2 3.43Å; R15-H34 HydrophobicContact CB-CB 3.97Å; R15-H34 HydrophobicContact CG-CB 3.92Å; H34-G36 PolarHBondContact ND1-N 3.42Å; H34-G36 VanDerWaalsContact ND1-N 3.14Å; H34-G36 PolarHBondContact O-N 2.95Å; H34-Y37 HydrophobicContact CB-CD2 3.84Å; H34-Y37 HydrophobicContact CB-CE2 4.45Å; H34-Y37 AromaticContact CE1-CD2 3.8Å; H34-Y37 AromaticContact CE1-CE2 3.71Å; H34-Y37 AromaticContact CG-CD2 3.52Å; H34-Y37 AromaticContact CG-CE2 3.81Å; H34-Y37 AromaticContact ND1-CD2 3.2Å; H34-Y37 WeakPolarHBondContact ND1-CD2 3.18Å; H34-Y37 AromaticContact ND1-CE2 3.57Å; H34-Y37 AromaticContact ND1-CG 3.82Å; H34-Y37 PolarHBondContact ND1-N 3.36Å; H34-Y37 PolarHBondContact O-N 3.04Å; H34-R42 PolarHBondContact N-O 3.43Å; H34-V355 WeakPolarHBondContact NE2-CG2 3.43Å
35	M	88.2	Confident	89.8	Confident	14 Å²	14	38.2 Å²	38.2	7%	0.069	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.9	-171.3	-59.3	-61.2	104.9	0	0	114.4	M33 L69 Y105 M327 V355	M33-M35 HydrophobicContact CB-CE 3.31Å; M33-M35 HydrophobicContact CE-CE 4.27Å; M33-M35 WeakPolarHBondContact O-CE 3.35Å; M35-L69 HydrophobicContact CE-CB 3.93Å; M35-L69 HydrophobicContact SD-CB 4.22Å; M35-L69 HydrophobicContact SD-CD1 4.44Å; M35-Y105 HydrophobicContact SD-CE2 3.88Å; M35-M327 HydrophobicContact CB-SD 4.21Å; M35-M327 HydrophobicContact CG-SD 4.43Å; M35-V355 HydrophobicContact CB-CG1 4.02Å
36	G	86.6	Confident	90.5	Very high	14 Å²	14	34.8 Å²	34.8	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.5	177.7	0	0	0	0	0	114.9	H34 Q356	H34-G36 PolarHBondContact ND1-N 3.42Å; H34-G36 VanDerWaalsContact ND1-N 3.14Å; H34-G36 PolarHBondContact O-N 2.95Å; G36-Q356 WeakPolarHBondContact CA-O 3.49Å
37	Y	88.1	Confident	90.7	Very high	65 Å²	65	35 Å²	35	26%	0.255	17%	0.171	S	C	.	.			trans	-103.4	142.4	-179.6	-66.2	-55.5	0	0	0	111	H34 R41	H34-Y37 HydrophobicContact CB-CD2 3.84Å; H34-Y37 HydrophobicContact CB-CE2 4.45Å; H34-Y37 AromaticContact CE1-CD2 3.8Å; H34-Y37 AromaticContact CE1-CE2 3.71Å; H34-Y37 AromaticContact CG-CD2 3.52Å; H34-Y37 AromaticContact CG-CE2 3.81Å; H34-Y37 AromaticContact ND1-CD2 3.2Å; H34-Y37 WeakPolarHBondContact ND1-CD2 3.18Å; H34-Y37 AromaticContact ND1-CE2 3.57Å; H34-Y37 AromaticContact ND1-CG 3.82Å; H34-Y37 PolarHBondContact ND1-N 3.36Å; H34-Y37 PolarHBondContact O-N 3.04Å; Y37-R41 HydrophobicContact CD1-CB 4.25Å; Y37-R41 HydrophobicContact CD2-CB 3.83Å; Y37-R41 HydrophobicContact CE2-CB 4.27Å; Y37-R41 HydrophobicContact CG-CB 3.85Å
38	N	82.6	Confident	90.7	Very high	91 Å²	91	38.3 Å²	38.3	49%	0.487	18%	0.182	S	C	.	.	S	Bend	trans	-114.4	4.7	178.3	-56.8	-31.9	0	0	0	112.2	R42 R113	N38-R42 PolarHBondContact O-NH2 3.37Å; N38-R113 VanDerWaalsContact OD1-CZ 3.25Å; N38-R113 PolarHBondContact OD1-NH1 3.09Å; N38-R113 PolarHBondContact OD1-NH2 3.22Å; N38-R113 VanDerWaalsContact OD1-NH2 3.16Å
39	D	87.8	Confident	90.7	Very high	64 Å²	64	38.6 Å²	38.6	34%	0.342	18%	0.184	S	C	.	.	S	Bend	trans	-115.6	-166.6	176.8	55.4	34	0	0	0	109.3	R41 R42	D39-R41 VanDerWaalsContact CG-NE 3.35Å; D39-R41 PolarHBondContact O-N 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.25Å; D39-R41 VanDerWaalsContact OD1-CG 3.31Å; D39-R41 WeakPolarHBondContact OD1-CG 3.36Å; D39-R41 IonicContact OD1-CZ 3.99Å; D39-R41 PolarHBondContact OD1-N 2.89Å; D39-R41 IonicContact OD1-NE 3.37Å; D39-R41 PolarHBondContact OD1-NE 3.37Å; D39-R41 IonicContact OD1-NH2 3.86Å; D39-R41 IonicContact OD2-CZ 3.85Å; D39-R41 VanDerWaalsContact OD2-CZ 3.23Å; D39-R41 IonicContact OD2-NE 2.64Å; D39-R41 PolarHBondContact OD2-NE 3.41Å; D39-R41 IonicContact OD2-NH2 3.3Å; D39-R41 PolarHBondContact OD2-NH2 2.91Å; D39-R42 WeakPolarHBondContact O-CB 3.31Å; D39-R42 VanDerWaalsContact O-CG 3.27Å; D39-R42 WeakPolarHBondContact O-CG 3.43Å; D39-R42 PolarHBondContact O-N 3.02Å; D39-R42 PolarHBondContact O-NE 2.93Å
40	E	88.1	Confident	90.8	Very high	153 Å²	153	41.5 Å²	41.5	72%	0.715	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-61.2	-22.5	-178.3	-61.8	-171	162.5	0	0	113.4	R42 F43	E40-R42 PolarHBondContact O-N 3.34Å; E40-F43 PolarHBondContact O-N 3.49Å
41	R	91.6	Very high	90.7	Very high	135 Å²	135	50.1 Å²	50.1	51%	0.509	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.1	-15.8	177.7	-59.7	176.7	-71.4	175.6	-7	112.8	R15 Y37 D39 F43	R15-R41 PolarHBondContact NH1-O 3.11Å; Y37-R41 HydrophobicContact CD1-CB 4.25Å; Y37-R41 HydrophobicContact CD2-CB 3.83Å; Y37-R41 HydrophobicContact CE2-CB 4.27Å; Y37-R41 HydrophobicContact CG-CB 3.85Å; D39-R41 VanDerWaalsContact CG-NE 3.35Å; D39-R41 PolarHBondContact O-N 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.25Å; D39-R41 VanDerWaalsContact OD1-CG 3.31Å; D39-R41 WeakPolarHBondContact OD1-CG 3.36Å; D39-R41 IonicContact OD1-CZ 3.99Å; D39-R41 PolarHBondContact OD1-N 2.89Å; D39-R41 IonicContact OD1-NE 3.37Å; D39-R41 PolarHBondContact OD1-NE 3.37Å; D39-R41 IonicContact OD1-NH2 3.86Å; D39-R41 IonicContact OD2-CZ 3.85Å; D39-R41 VanDerWaalsContact OD2-CZ 3.23Å; D39-R41 IonicContact OD2-NE 2.64Å; D39-R41 PolarHBondContact OD2-NE 3.41Å; D39-R41 IonicContact OD2-NH2 3.3Å; D39-R41 PolarHBondContact OD2-NH2 2.91Å; R41-F43 PolarHBondContact O-N 3.08Å
42	R	93.3	Very high	90.4	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.042	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.1	-27.2	174.8	81.8	-176.9	89.6	164.1	13.5	112.2	M33 H34 N38 D39 E40 D115	M33-R42 CarbonylContact C-O 3.55Å; M33-R42 WeakPolarHBondContact CA-O 3.26Å; M33-R42 HydrophobicContact SD-CG 4.47Å; H34-R42 PolarHBondContact N-O 3.43Å; N38-R42 PolarHBondContact O-NH2 3.37Å; D39-R42 WeakPolarHBondContact O-CB 3.31Å; D39-R42 VanDerWaalsContact O-CG 3.27Å; D39-R42 WeakPolarHBondContact O-CG 3.43Å; D39-R42 PolarHBondContact O-N 3.02Å; D39-R42 PolarHBondContact O-NE 2.93Å; E40-R42 PolarHBondContact O-N 3.34Å; R42-D115 IonicContact CZ-OD2 2.91Å; R42-D115 IonicContact NH1-OD2 3.7Å; R42-D115 PolarHBondContact NH1-OD2 3.09Å; R42-D115 IonicContact NH2-OD2 3.57Å; R42-D115 PolarHBondContact NH2-OD2 3.27Å
43	F	95.2	Very high	90.1	Very high	19 Å²	19	59.8 Å²	59.8	8%	0.083	29%	0.288	C	S	.	.	S	Bend	trans	-91.6	157.8	-178.8	-58	-67.2	0	0	0	111.6	M33 E40 R41 A74 Y77 F118	M33-F43 HydrophobicContact CG-CD1 3.81Å; M33-F43 HydrophobicContact CG-CE1 3.83Å; M33-F43 HydrophobicContact SD-CD1 4.13Å; M33-F43 HydrophobicContact SD-CE1 3.51Å; M33-F43 VanDerWaalsContact SD-CE1 3.51Å; M33-F43 HydrophobicContact SD-CZ 4.25Å; E40-F43 PolarHBondContact O-N 3.49Å; R41-F43 PolarHBondContact O-N 3.08Å; F43-A74 HydrophobicContact CD1-CB 3.71Å; F43-A74 HydrophobicContact CE1-CB 4.39Å; F43-Y77 HydrophobicContact CB-CD1 3.9Å; F43-Y77 HydrophobicContact CB-CE1 3.69Å; F43-Y77 AromaticContact CD1-CD1 3.61Å; F43-Y77 HydrophobicContact CD1-CD1 3.61Å; F43-Y77 HydrophobicContact CD1-CD2 4.4Å; F43-Y77 HydrophobicContact CD1-CE1 4.21Å; F43-Y77 AromaticContact CD1-CG 3.72Å; F43-Y77 HydrophobicContact CD1-CG 3.72Å; F43-Y77 HydrophobicContact CD2-CD1 4.17Å; F43-Y77 HydrophobicContact CD2-CD2 4.17Å; F43-Y77 HydrophobicContact CD2-CE1 4.05Å; F43-Y77 HydrophobicContact CD2-CE2 4.07Å; F43-Y77 HydrophobicContact CD2-CG 4.22Å; F43-Y77 HydrophobicContact CE1-CD1 4.12Å; F43-Y77 HydrophobicContact CE1-CD2 4.2Å; F43-Y77 AromaticContact CE1-CG 3.72Å; F43-Y77 HydrophobicContact CE1-CG 3.72Å; F43-Y77 AromaticContact CE2-CD2 3.96Å; F43-Y77 HydrophobicContact CE2-CD2 3.96Å; F43-Y77 HydrophobicContact CE2-CE2 4.13Å; F43-Y77 HydrophobicContact CE2-CG 4.23Å; F43-Y77 AromaticContact CG-CD1 3.62Å; F43-Y77 HydrophobicContact CG-CD1 3.62Å; F43-Y77 HydrophobicContact CG-CD2 4.38Å; F43-Y77 AromaticContact CG-CE1 3.73Å; F43-Y77 HydrophobicContact CG-CE1 3.73Å; F43-Y77 HydrophobicContact CG-CE2 4.49Å; F43-Y77 AromaticContact CG-CG 3.97Å; F43-Y77 HydrophobicContact CG-CG 3.97Å; F43-Y77 AromaticContact CZ-CD2 3.96Å; F43-Y77 HydrophobicContact CZ-CD2 3.96Å; F43-Y77 AromaticContact CZ-CG 3.97Å; F43-Y77 HydrophobicContact CZ-CG 3.97Å; F43-F118 AromaticContact CZ-CE2 3.86Å; F43-F118 HydrophobicContact CZ-CE2 3.86Å
44	P	94.9	Very high	90.1	Very high	4 Å²	4	67 Å²	67	3%	0.026	32%	0.319	C	S	.	.			trans	-62.4	150	168.7	-19.6	33.8	0	0	0	111.1	V7 C17 G32 F46 A74	V7-P44 HydrophobicContact CG2-CB 4.45Å; C17-P44 HydrophobicContact CB-CB 3.67Å; C17-P44 HydrophobicContact CB-CG 3.64Å; G32-P44 VanDerWaalsContact O-CD 3.28Å; G32-P44 WeakPolarHBondContact O-CD 3.42Å; G32-P44 WeakPolarHBondContact O-CG 3.34Å; P44-F46 HydrophobicContact CB-CE1 4.15Å; P44-F46 HydrophobicContact CB-CE2 4.25Å; P44-F46 HydrophobicContact CB-CZ 3.86Å; P44-F46 HydrophobicContact CG-CE2 4.42Å; P44-F46 HydrophobicContact CG-CZ 3.93Å; P44-F46 WeakPolarHBondContact O-CD2 3.35Å; P44-F46 PolarHBondContact O-N 3.34Å; P44-A74 HydrophobicContact CG-CB 4.32Å
45	D	90.9	Very high	90.2	Very high	93 Å²	93	66.5 Å²	66.5	50%	0.497	32%	0.317	S	S	.	.			trans	-81.3	97.7	177.1	-175.9	0.4	0	0	0	110.7	V7 S47	V7-D45 PolarHBondContact O-N 3.2Å; D45-S47 PolarHBondContact O-N 2.89Å; D45-S47 WeakPolarHBondContact OD1-CA 3.34Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.48Å; D45-S47 PolarHBondContact OD1-OG 3.31Å; D45-S47 PolarHBondContact OD2-OG 3.08Å
46	F	91.9	Very high	90.4	Very high	10 Å²	10	69.5 Å²	69.5	4%	0.044	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.8	176.6	-59.4	-67	0	0	0	113.8	M28 P44 Y48 I49 T50 Y77 M78 V82	M28-F46 HydrophobicContact CE-CD1 4.01Å; M28-F46 HydrophobicContact CE-CE1 3.63Å; M28-F46 HydrophobicContact SD-CE1 4.28Å; P44-F46 HydrophobicContact CB-CE1 4.15Å; P44-F46 HydrophobicContact CB-CE2 4.25Å; P44-F46 HydrophobicContact CB-CZ 3.86Å; P44-F46 HydrophobicContact CG-CE2 4.42Å; P44-F46 HydrophobicContact CG-CZ 3.93Å; P44-F46 WeakPolarHBondContact O-CD2 3.35Å; P44-F46 PolarHBondContact O-N 3.34Å; F46-Y48 PolarHBondContact O-N 2.91Å; F46-Y48 VanDerWaalsContact O-N 3.15Å; F46-I49 PolarHBondContact O-N 2.97Å; F46-T50 HydrophobicContact CB-CG2 4.26Å; F46-T50 PolarHBondContact O-N 3.34Å; F46-T50 PolarHBondContact O-OG1 3.14Å; F46-Y77 HydrophobicContact CD2-CD1 4.44Å; F46-Y77 AromaticContact CD2-CE1 3.9Å; F46-Y77 HydrophobicContact CD2-CE1 3.9Å; F46-Y77 AromaticContact CE2-CD1 3.86Å; F46-Y77 HydrophobicContact CE2-CD1 3.86Å; F46-Y77 AromaticContact CE2-CE1 3.74Å; F46-Y77 HydrophobicContact CE2-CE1 3.74Å; F46-M78 HydrophobicContact CD1-CG 4.39Å; F46-M78 HydrophobicContact CE1-CB 4.33Å; F46-M78 HydrophobicContact CE1-CG 3.71Å; F46-M78 HydrophobicContact CE2-CB 4Å; F46-M78 HydrophobicContact CE2-CG 4.18Å; F46-M78 HydrophobicContact CZ-CB 3.68Å; F46-M78 HydrophobicContact CZ-CG 3.59Å; F46-V82 HydrophobicContact CB-CG1 4.42Å; F46-V82 HydrophobicContact CD2-CG2 4.02Å
47	S	89.6	Confident	90.6	Very high	24 Å²	24	74.8 Å²	74.8	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-22.1	-177.5	78.5	0	0	0	0	113.2	D45 I49 T50 R51	D45-S47 PolarHBondContact O-N 2.89Å; D45-S47 WeakPolarHBondContact OD1-CA 3.34Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.48Å; D45-S47 PolarHBondContact OD1-OG 3.31Å; D45-S47 PolarHBondContact OD2-OG 3.08Å; S47-I49 PolarHBondContact O-N 3.33Å; S47-T50 WeakPolarHBondContact CA-OG1 3.25Å; S47-R51 WeakPolarHBondContact O-CB 3.23Å; S47-R51 WeakPolarHBondContact O-CD 3.36Å; S47-R51 WeakPolarHBondContact O-CG 3.35Å; S47-R51 PolarHBondContact O-N 3.25Å; S47-R51 PolarHBondContact OG-NH2 3.37Å; S47-R51 VanDerWaalsContact OG-NH2 3.07Å
48	Y	86.2	Confident	90.8	Very high	88 Å²	88	74.4 Å²	74.4	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-55.5	-37.5	169	-179.6	-90	0	0	0	112.5	I5 L19 F46 H52	I5-Y48 HydrophobicContact CD1-CE1 3.72Å; I5-Y48 WeakPolarHBondContact CD1-OH 3.3Å; I5-Y48 HydrophobicContact CG1-CE1 4.36Å; I5-Y48 HydrophobicContact CG2-CD1 4.48Å; I5-Y48 HydrophobicContact CG2-CD2 4.21Å; I5-Y48 HydrophobicContact CG2-CE1 4.35Å; I5-Y48 HydrophobicContact CG2-CE2 4.05Å; I5-Y48 HydrophobicContact CG2-CG 4.42Å; L19-Y48 HydrophobicContact CD1-CD1 3.67Å; L19-Y48 HydrophobicContact CD1-CE1 4.07Å; F46-Y48 PolarHBondContact O-N 2.91Å; F46-Y48 VanDerWaalsContact O-N 3.15Å; Y48-H52 PolarHBondContact O-CD2 2.86Å
49	I	89.4	Confident	91.2	Very high	6 Å²	6	70.4 Å²	70.4	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-93.7	-49	179.2	-54.7	170.9	0	0	0	110.2	L19 M28 F46 S47 R51 H52 G53 L55 Y58 L59	L19-I49 HydrophobicContact CD1-CD1 3.75Å; L19-I49 HydrophobicContact CD1-CG1 3.89Å; L19-I49 HydrophobicContact CD2-CD1 3.98Å; M28-I49 HydrophobicContact CE-CD1 4.31Å; F46-I49 PolarHBondContact O-N 2.97Å; S47-I49 PolarHBondContact O-N 3.33Å; I49-R51 VanDerWaalsContact C-N 3.25Å; I49-R51 PolarHBondContact O-N 3.43Å; I49-H52 PolarHBondContact O-N 3.3Å; I49-G53 PolarHBondContact O-N 3.01Å; I49-L55 HydrophobicContact CB-CD2 3.79Å; I49-L55 HydrophobicContact CD1-CD2 3.71Å; I49-L55 HydrophobicContact CG1-CD2 4.35Å; I49-L55 HydrophobicContact CG2-CD2 3.7Å; I49-Y58 HydrophobicContact CD1-CD1 3.71Å; I49-Y58 HydrophobicContact CD1-CE1 4.02Å; I49-Y58 HydrophobicContact CG1-CD1 3.8Å; I49-Y58 HydrophobicContact CG1-CE1 3.98Å; I49-Y58 HydrophobicContact CG1-CG 4.35Å; I49-Y58 HydrophobicContact CG2-CD1 3.92Å; I49-Y58 HydrophobicContact CG2-CD2 4.46Å; I49-Y58 HydrophobicContact CG2-CG 3.72Å; I49-L59 HydrophobicContact CD1-CD1 4.22Å; I49-L59 HydrophobicContact CD1-CD2 4.19Å; I49-L59 HydrophobicContact CD1-CG 4.21Å
50	T	90.9	Very high	91.3	Very high	63 Å²	63	69.5 Å²	69.5	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-19.7	-167.8	60.8	0	0	0	0	114.2	F46 S47 H52 G53 L55 V82	F46-T50 HydrophobicContact CB-CG2 4.26Å; F46-T50 PolarHBondContact O-N 3.34Å; F46-T50 PolarHBondContact O-OG1 3.14Å; S47-T50 WeakPolarHBondContact CA-OG1 3.25Å; T50-H52 PolarHBondContact O-N 3.13Å; T50-G53 WeakPolarHBondContact CA-O 3.38Å; T50-L55 HydrophobicContact CG2-CD2 4.2Å; T50-V82 HydrophobicContact CG2-CG1 3.8Å
51	R	90.1	Very high	91.3	Very high	188 Å²	188	62.2 Å²	62.2	71%	0.709	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.6	170.6	-72.4	175.5	-161.2	-171.5	10.3	113.3	S47 I49	S47-R51 WeakPolarHBondContact O-CB 3.23Å; S47-R51 WeakPolarHBondContact O-CD 3.36Å; S47-R51 WeakPolarHBondContact O-CG 3.35Å; S47-R51 PolarHBondContact O-N 3.25Å; S47-R51 PolarHBondContact OG-NH2 3.37Å; S47-R51 VanDerWaalsContact OG-NH2 3.07Å; I49-R51 VanDerWaalsContact C-N 3.25Å; I49-R51 PolarHBondContact O-N 3.43Å
52	H	88.1	Confident	91.3	Very high	169 Å²	169	55.8 Å²	55.8	78%	0.782	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-9.7	-174.5	-61.8	-62.4	0	0	0	113.8	Y48 I49 T50	Y48-H52 PolarHBondContact O-CD2 2.86Å; I49-H52 PolarHBondContact O-N 3.3Å; T50-H52 PolarHBondContact O-N 3.13Å
53	G	91.4	Very high	91	Very high	35 Å²	35	55.6 Å²	55.6	36%	0.361	27%	0.27	S	S	.	.	S	Bend	trans	161.7	-165.7	179.9	0	0	0	0	0	113	I49 T50	I49-G53 PolarHBondContact O-N 3.01Å; T50-G53 WeakPolarHBondContact CA-O 3.38Å
54	K	93.7	Very high	90.7	Very high	150 Å²	150	54.7 Å²	54.7	65%	0.652	27%	0.266	S	S	*	.			trans	-81	155.7	175.8	-61	177.9	179.3	178.2	0	110.8	D56 D57 Y58	K54-D56 PolarHBondContact O-N 3Å; K54-D57 WeakPolarHBondContact CB-OD2 3.5Å; K54-D57 PolarHBondContact O-N 2.85Å; K54-Y58 PolarHBondContact O-N 2.88Å
55	L	94.7	Very high	90.3	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-38.6	174.5	-64	-179.1	0	0	0	111.6	I49 T50 D57 Y58 L59 M78 V82 G83 Y84	I49-L55 HydrophobicContact CB-CD2 3.79Å; I49-L55 HydrophobicContact CD1-CD2 3.71Å; I49-L55 HydrophobicContact CG1-CD2 4.35Å; I49-L55 HydrophobicContact CG2-CD2 3.7Å; T50-L55 HydrophobicContact CG2-CD2 4.2Å; L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.83Å; L55-Y58 PolarHBondContact O-N 2.81Å; L55-L59 HydrophobicContact CB-CD1 4.33Å; L55-L59 HydrophobicContact CD2-CD1 4.43Å; L55-L59 WeakPolarHBondContact O-CB 2.79Å; L55-L59 PolarHBondContact O-N 3.06Å; L55-M78 HydrophobicContact CD1-CG 3.85Å; L55-M78 HydrophobicContact CD1-SD 3.84Å; L55-V82 HydrophobicContact CD1-CB 4.14Å; L55-V82 HydrophobicContact CD1-CG1 3.65Å; L55-V82 HydrophobicContact CG-CG1 4.16Å; L55-G83 WeakPolarHBondContact CB-O 3.09Å; L55-Y84 HydrophobicContact CB-CD2 3.94Å; L55-Y84 HydrophobicContact CB-CG 4.45Å
56	D	92.9	Very high	90	Very high	77 Å²	77	50 Å²	50	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-31.1	179.4	-75.2	-19.1	0	0	0	113.8	K54 Y58 Y84 G85 G86	K54-D56 PolarHBondContact O-N 3Å; D56-Y58 VanDerWaalsContact C-N 3.34Å; D56-Y84 WeakPolarHBondContact OD1-CA 3.15Å; D56-Y84 WeakPolarHBondContact OD1-CD2 3.47Å; D56-G85 PolarHBondContact OD1-N 3.5Å; D56-G85 PolarHBondContact OD2-N 3.16Å; D56-G86 PolarHBondContact OD1-N 3.28Å
57	D	91.9	Very high	89.8	Confident	125 Å²	125	49.7 Å²	49.7	67%	0.668	24%	0.24	S	C	*	.	H	α-helix	trans	-75.9	-29.1	178.9	-59.5	-36.3	0	0	0	111.1	K54 L55	K54-D57 WeakPolarHBondContact CB-OD2 3.5Å; K54-D57 PolarHBondContact O-N 2.85Å; L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.83Å
58	Y	91.8	Very high	89.7	Confident	56 Å²	56	49.9 Å²	49.9	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-91.6	-48.9	-178.1	-174	-96.9	0	0	0	112.7	L19 N26 I49 K54 L55 D56	L19-Y58 HydrophobicContact CD1-CE1 4.22Å; N26-Y58 HydrophobicContact CB-CD1 4.05Å; N26-Y58 HydrophobicContact CB-CE1 3.76Å; N26-Y58 VanDerWaalsContact CB-O 3.28Å; N26-Y58 WeakPolarHBondContact CB-O 3.27Å; N26-Y58 WeakPolarHBondContact ND2-CE2 3.39Å; N26-Y58 PolarHBondContact ND2-O 2.79Å; I49-Y58 HydrophobicContact CD1-CD1 3.71Å; I49-Y58 HydrophobicContact CD1-CE1 4.02Å; I49-Y58 HydrophobicContact CG1-CD1 3.8Å; I49-Y58 HydrophobicContact CG1-CE1 3.98Å; I49-Y58 HydrophobicContact CG1-CG 4.35Å; I49-Y58 HydrophobicContact CG2-CD1 3.92Å; I49-Y58 HydrophobicContact CG2-CD2 4.46Å; I49-Y58 HydrophobicContact CG2-CG 3.72Å; K54-Y58 PolarHBondContact O-N 2.88Å; L55-Y58 PolarHBondContact O-N 2.81Å; D56-Y58 VanDerWaalsContact C-N 3.34Å
59	L	91.7	Very high	90	Very high	7 Å²	7	47 Å²	47	4%	0.037	23%	0.228	C	C	.	.			trans	-92.3	126.9	-170.8	-63.8	175.5	0	0	0	112.2	L19 N26 M28 I49 L55 Y84	L19-L59 HydrophobicContact CD2-CD2 4Å; N26-L59 HydrophobicContact CB-CD2 4.48Å; M28-L59 HydrophobicContact CB-CD1 4.26Å; M28-L59 HydrophobicContact CB-CD2 3.97Å; M28-L59 HydrophobicContact CE-CD1 3.6Å; M28-L59 HydrophobicContact CE-CD2 4.49Å; M28-L59 HydrophobicContact SD-CD1 4.33Å; I49-L59 HydrophobicContact CD1-CD1 4.22Å; I49-L59 HydrophobicContact CD1-CD2 4.19Å; I49-L59 HydrophobicContact CD1-CG 4.21Å; L55-L59 HydrophobicContact CB-CD1 4.33Å; L55-L59 HydrophobicContact CD2-CD1 4.43Å; L55-L59 WeakPolarHBondContact O-CB 2.79Å; L55-L59 PolarHBondContact O-N 3.06Å; L59-Y84 HydrophobicContact CB-CD2 4.41Å; L59-Y84 HydrophobicContact CB-CE2 3.72Å; L59-Y84 HydrophobicContact CD1-CD2 4.35Å; L59-Y84 HydrophobicContact CD1-CE2 4.28Å
60	H	88.3	Confident	90.1	Very high	45 Å²	45	47.7 Å²	47.7	21%	0.208	23%	0.232	C	C	.	.	S	Bend	trans	-83.1	-34.6	175.4	-70.9	66.1	0	0	0	112.6	R25 N26	R25-H60 VanDerWaalsContact CD-CD2 3.5Å; R25-H60 WeakPolarHBondContact CD-CD2 3.23Å; R25-H60 VanDerWaalsContact CD-NE2 3.34Å; R25-H60 WeakPolarHBondContact CD-NE2 3.48Å; N26-H60 PolarHBondContact O-N 2.86Å
61	C	89.3	Confident	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	161.8	175.3	62.9	0	0	0	0	110.9	M28 Y84 P87 Y89 V142 L147	M28-C61 PolarHBondContact N-O 2.96Å; M28-C61 VanDerWaalsContact N-O 3.09Å; C61-Y84 WeakPolarHBondContact CA-OH 3.43Å; C61-P87 WeakPolarHBondContact CA-O 3.43Å; C61-P87 HydrophobicContact CB-CG 4Å; C61-Y89 HydrophobicContact CB-CD2 3.91Å; C61-Y89 HydrophobicContact CB-CE2 3.66Å; C61-V142 HydrophobicContact CB-CG1 4.14Å; C61-L147 WeakPolarHBondContact SG-CD1 3.28Å
62	V	90.8	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142	168.9	-179.9	0	0	0	0	108.3	M28 I64 L75 M78 Y84 P87 I88 Y89	M28-V62 HydrophobicContact CB-CG1 4.42Å; M28-V62 HydrophobicContact CB-CG2 4.11Å; M28-V62 HydrophobicContact CG-CG1 4.36Å; M28-V62 CarbonylContact O-C 3.57Å; M28-V62 WeakPolarHBondContact O-CA 3.47Å; M28-V62 HydrophobicContact SD-CG1 4.34Å; M28-V62 HydrophobicContact SD-CG2 4.19Å; V62-I64 HydrophobicContact CG1-CD1 3.8Å; V62-I64 HydrophobicContact CG1-CG1 4.35Å; V62-L75 HydrophobicContact CG1-CD2 4.43Å; V62-M78 HydrophobicContact CG1-CE 4.45Å; V62-M78 HydrophobicContact CG2-CE 3.85Å; V62-Y84 HydrophobicContact CB-CE1 4.36Å; V62-Y84 HydrophobicContact CG2-CD1 4.09Å; V62-Y84 HydrophobicContact CG2-CE1 3.44Å; V62-Y84 VanDerWaalsContact CG2-CE1 3.44Å; V62-P87 PolarHBondContact N-O 3.23Å; V62-I88 HydrophobicContact CB-CG1 4.24Å; V62-I88 HydrophobicContact CB-CG2 4.33Å; V62-I88 HydrophobicContact CG1-CG2 4.34Å; V62-I88 CarbonylContact O-C 3.45Å; V62-I88 WeakPolarHBondContact O-CA 3.4Å; V62-Y89 PolarHBondContact O-N 2.97Å
63	I	87.6	Confident	90.7	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.036	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.2	175.6	-39.9	179.2	0	0	0	108.9	V27 M28 L29 D30 Y89 L147 L162 T164	V27-I63 HydrophobicContact CG1-CD1 3.69Å; V27-I63 HydrophobicContact CG1-CG1 3.8Å; M28-I63 PolarHBondContact O-N 3.42Å; L29-I63 CarbonylContact C-O 3.58Å; L29-I63 WeakPolarHBondContact CA-O 3.28Å; L29-I63 HydrophobicContact CD2-CB 3.83Å; L29-I63 HydrophobicContact CD2-CD1 3.97Å; L29-I63 HydrophobicContact CD2-CG1 4.14Å; D30-I63 PolarHBondContact N-O 2.93Å; I63-Y89 CarbonylContact C-O 3.59Å; I63-Y89 WeakPolarHBondContact CA-O 3.42Å; I63-L147 HydrophobicContact CD1-CD1 3.71Å; I63-L147 HydrophobicContact CD1-CD2 3.57Å; I63-L147 HydrophobicContact CD1-CG 4.15Å; I63-L147 HydrophobicContact CG1-CD1 4.46Å; I63-L162 HydrophobicContact CB-CD1 4.07Å; I63-L162 HydrophobicContact CG2-CD1 3.31Å; I63-L162 HydrophobicContact CG2-CD2 3.53Å; I63-L162 HydrophobicContact CG2-CG 4.02Å; I63-T164 HydrophobicContact CD1-CG2 4.01Å
64	I	89.3	Confident	91	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.			trans	-111.2	121.6	-177.7	-54.4	-61.7	0	0	0	108.8	C31 V62 H66 C72 L75 I88 Y89 M90 T94	C31-I64 HydrophobicContact CB-CD1 4.18Å; V62-I64 HydrophobicContact CG1-CD1 3.8Å; V62-I64 HydrophobicContact CG1-CG1 4.35Å; I64-H66 WeakPolarHBondContact CG2-O 3.41Å; I64-C72 HydrophobicContact CG2-CB 3.78Å; I64-L75 HydrophobicContact CD1-CD1 4.06Å; I64-L75 HydrophobicContact CD1-CD2 3.79Å; I64-L75 HydrophobicContact CD1-CG 4.11Å; I64-L75 HydrophobicContact CG1-CD1 3.9Å; I64-L75 HydrophobicContact CG1-CD2 4.2Å; I64-L75 HydrophobicContact CG1-CG 4.47Å; I64-I88 HydrophobicContact CG1-CG2 3.91Å; I64-Y89 PolarHBondContact N-O 3.38Å; I64-M90 HydrophobicContact CB-CB 4.03Å; I64-M90 HydrophobicContact CB-CE 4.07Å; I64-M90 HydrophobicContact CG1-CE 3.86Å; I64-T94 HydrophobicContact CG2-CG2 4.26Å
65	S	85.1	Confident	91.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.			trans	-65.8	-44	-176.8	61.7	0	0	0	0	111.7	D30 H71 S160	D30-S65 VanDerWaalsContact CG-OG 3.25Å; D30-S65 WeakPolarHBondContact OD1-CB 3.1Å; D30-S65 PolarHBondContact OD1-N 2.64Å; D30-S65 PolarHBondContact OD1-OG 3.05Å; D30-S65 PolarHBondContact OD2-OG 3.4Å; S65-H71 PolarHBondContact OG-ND1 2.79Å; S65-S160 PolarHBondContact O-N 3.3Å; S65-S160 VanDerWaalsContact O-N 3.15Å; S65-S160 PolarHBondContact O-OG 3.34Å
66	H	85.4	Confident	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.			trans	-166.1	177.3	179.5	66.6	-70	0	0	0	114	I64 H68 H71 Q159 D178	I64-H66 WeakPolarHBondContact CG2-O 3.41Å; H66-H68 AromaticContact CD2-CE1 3.96Å; H66-H68 AromaticContact CD2-CG 3.45Å; H66-H68 VanDerWaalsContact CD2-CG 3.45Å; H66-H68 AromaticContact CD2-ND1 3.28Å; H66-H68 PolarHBondContact CD2-ND1 2.9Å; H66-H68 VanDerWaalsContact CD2-ND1 3.28Å; H66-H68 AromaticContact NE2-CE1 3.94Å; H66-H68 AromaticContact NE2-CG 3.46Å; H66-H68 AromaticContact NE2-ND1 3Å; H66-H68 PolarHBondContact NE2-ND1 2.9Å; H66-H68 PolarHBondContact O-N 2.96Å; H66-H71 AromaticContact CE1-CD2 3.12Å; H66-H71 PolarHBondContact CE1-CD2 3.07Å; H66-H71 AromaticContact CE1-CE1 3.64Å; H66-H71 AromaticContact CE1-CG 3.28Å; H66-H71 AromaticContact CE1-ND1 3.6Å; H66-H71 AromaticContact CE1-NE2 3.39Å; H66-H71 PolarHBondContact CE1-NE2 2.96Å; H66-H71 AromaticContact ND1-CD2 3.98Å; H66-H71 AromaticContact ND1-CG 3.7Å; H66-H71 AromaticContact ND1-ND1 3.95Å; H66-H71 AromaticContact NE2-CD2 3.57Å; H66-Q159 HydrophobicContact CB-CB 3.73Å; H66-Q159 HydrophobicContact CB-CG 3.6Å; H66-Q159 PolarHBondContact CD2-NE2 3.44Å; H66-D178 IonicContact CE1-OD2 3.97Å; H66-D178 PolarHBondContact CE1-OD2 2.85Å; H66-D178 VanDerWaalsContact CE1-OD2 3.28Å; H66-D178 IonicContact NE2-OD2 3.45Å; H66-D178 PolarHBondContact NE2-OD2 3.3Å
67	F	88.1	Confident	91.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.085	C	C	.	.	S	Bend	trans	-84.7	-1.2	-167.3	60	-101.9	0	0	0	115.5	C72 T94 M97 V98 L101 L157 L242	F67-C72 VanDerWaalsContact C-SG 3.52Å; F67-C72 PolarHBondContact O-SG 2.68Å; F67-T94 HydrophobicContact CB-CG2 4.01Å; F67-M97 HydrophobicContact CB-CB 3.67Å; F67-M97 HydrophobicContact CD1-CB 3.98Å; F67-M97 HydrophobicContact CD1-CG 4.16Å; F67-M97 HydrophobicContact CD2-CB 4.18Å; F67-M97 HydrophobicContact CE1-CG 4.48Å; F67-M97 HydrophobicContact CG-CB 3.66Å; F67-M97 HydrophobicContact CG-CG 4.24Å; F67-V98 HydrophobicContact CB-CG2 3.94Å; F67-L101 HydrophobicContact CB-CD1 4.28Å; F67-L101 HydrophobicContact CD2-CD1 3.41Å; F67-L101 VanDerWaalsContact CD2-CD1 3.41Å; F67-L101 HydrophobicContact CE2-CD1 4.17Å; F67-L101 HydrophobicContact CG-CD1 4.25Å; F67-L101 WeakPolarHBondContact O-CD1 3.12Å; F67-L157 VanDerWaalsContact CE1-O 3.22Å; F67-L157 WeakPolarHBondContact CE1-O 3.35Å; F67-L242 HydrophobicContact CE2-CB 4.16Å; F67-L242 HydrophobicContact CZ-CB 4.05Å
68	H	87.8	Confident	91.7	Very high	28 Å²	28	11.9 Å²	11.9	13%	0.13	5%	0.053	C	C	.	.	S	Bend	trans	-66	145.9	177.3	-63.4	156	0	0	0	110.5	H66 D70 H71 C72	H66-H68 AromaticContact CD2-CE1 3.96Å; H66-H68 AromaticContact CD2-CG 3.45Å; H66-H68 VanDerWaalsContact CD2-CG 3.45Å; H66-H68 AromaticContact CD2-ND1 3.28Å; H66-H68 PolarHBondContact CD2-ND1 2.9Å; H66-H68 VanDerWaalsContact CD2-ND1 3.28Å; H66-H68 AromaticContact NE2-CE1 3.94Å; H66-H68 AromaticContact NE2-CG 3.46Å; H66-H68 AromaticContact NE2-ND1 3Å; H66-H68 PolarHBondContact NE2-ND1 2.9Å; H66-H68 PolarHBondContact O-N 2.96Å; H68-D70 WeakPolarHBondContact CB-OD1 3.18Å; H68-D70 PolarHBondContact O-N 3.29Å; H68-H71 PolarHBondContact O-N 3.26Å; H68-C72 PolarHBondContact O-N 2.97Å; H68-C72 PolarHBondContact O-SG 3.16Å
69	L	91.7	Very high	92	Very high	29 Å²	29	9.4 Å²	9.4	15%	0.152	4%	0.044	C	C	.	.	H	α-helix	trans	-67.5	-23.2	-170.8	-69.1	174.8	0	0	0	112.9	G32 M33 M35 H71 G73 L101 L102 Y105	G32-L69 CarbonylContact C-O 3.56Å; G32-L69 WeakPolarHBondContact CA-O 3.46Å; M33-L69 PolarHBondContact N-O 3.39Å; M35-L69 HydrophobicContact CE-CB 3.93Å; M35-L69 HydrophobicContact SD-CB 4.22Å; M35-L69 HydrophobicContact SD-CD1 4.44Å; L69-H71 PolarHBondContact O-N 2.92Å; L69-G73 WeakPolarHBondContact O-CA 3.49Å; L69-G73 PolarHBondContact O-N 3.38Å; L69-L101 HydrophobicContact CD2-CB 4.09Å; L69-L101 HydrophobicContact CG-CB 4.46Å; L69-L102 HydrophobicContact CD2-CD2 3.99Å; L69-L102 HydrophobicContact CD2-CG 4.45Å; L69-Y105 HydrophobicContact CD1-CD2 3.73Å; L69-Y105 HydrophobicContact CD1-CG 3.85Å
70	D	91.6	Very high	92.2	Very high	20 Å²	20	11.6 Å²	11.6	11%	0.107	5%	0.054	C	C	.	.	H	α-helix	trans	-72.6	-3.5	169.8	50.9	-30.5	0	0	0	114.5	S16 G32 M33 H68 H414	S16-D70 VanDerWaalsContact CB-O 3.3Å; S16-D70 WeakPolarHBondContact CB-O 3.24Å; S16-D70 PolarHBondContact N-O 3.23Å; S16-D70 PolarHBondContact OG-O 3.3Å; G32-D70 VanDerWaalsContact CA-C 3.41Å; G32-D70 VanDerWaalsContact CA-O 3.29Å; G32-D70 WeakPolarHBondContact CA-O 3.32Å; M33-D70 WeakPolarHBondContact O-CA 3.49Å; H68-D70 WeakPolarHBondContact CB-OD1 3.18Å; H68-D70 PolarHBondContact O-N 3.29Å; D70-H414 IonicContact OD2-CE1 3.43Å; D70-H414 IonicContact OD2-NE2 3.97Å; D70-H414 PolarHBondContact OD2-NE2 2.94Å
71	H	91.8	Very high	92.5	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-123.3	-22.1	174.5	-67	-96	0	0	0	113.7	S16 D30 C31 G32 S65 H66 H68 L69 D178 H414	S16-H71 PolarHBondContact OG-CE1 3.31Å; S16-H71 VanDerWaalsContact OG-CE1 3.27Å; D30-H71 HydrophobicContact CB-CB 4.29Å; D30-H71 WeakPolarHBondContact CB-O 3.45Å; D30-H71 IonicContact OD1-ND1 3.54Å; D30-H71 IonicContact OD2-CE1 3.74Å; D30-H71 IonicContact OD2-CG 3.38Å; D30-H71 IonicContact OD2-ND1 3.49Å; D30-H71 PolarHBondContact OD2-ND1 2.93Å; C31-H71 CarbonylContact C-O 3.51Å; C31-H71 PolarHBondContact N-O 3.18Å; G32-H71 PolarHBondContact N-O 2.82Å; S65-H71 PolarHBondContact OG-ND1 2.79Å; H66-H71 AromaticContact CE1-CD2 3.12Å; H66-H71 PolarHBondContact CE1-CD2 3.07Å; H66-H71 AromaticContact CE1-CE1 3.64Å; H66-H71 AromaticContact CE1-CG 3.28Å; H66-H71 AromaticContact CE1-ND1 3.6Å; H66-H71 AromaticContact CE1-NE2 3.39Å; H66-H71 PolarHBondContact CE1-NE2 2.96Å; H66-H71 AromaticContact ND1-CD2 3.98Å; H66-H71 AromaticContact ND1-CG 3.7Å; H66-H71 AromaticContact ND1-ND1 3.95Å; H66-H71 AromaticContact NE2-CD2 3.57Å; H68-H71 PolarHBondContact O-N 3.26Å; L69-H71 PolarHBondContact O-N 2.92Å; H71-D178 IonicContact CD2-OD2 2.63Å; H71-D178 IonicContact CE1-OD1 3.44Å; H71-D178 IonicContact NE2-OD1 3.36Å; H71-D178 IonicContact NE2-OD2 2.92Å; H71-D178 PolarHBondContact NE2-OD2 2.84Å; H71-H414 AromaticContact NE2-NE2 3.91Å
72	C	94.1	Very high	92.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-130.6	-5.8	-178.9	71.9	0	0	0	0	114.7	C31 I64 F67 H68 A74 L75 V98	C31-C72 CarbonylContact O-C 3.16Å; C31-C72 WeakPolarHBondContact O-CA 3.46Å; I64-C72 HydrophobicContact CG2-CB 3.78Å; F67-C72 VanDerWaalsContact C-SG 3.52Å; F67-C72 PolarHBondContact O-SG 2.68Å; H68-C72 PolarHBondContact O-N 2.97Å; H68-C72 PolarHBondContact O-SG 3.16Å; C72-A74 VanDerWaalsContact C-N 3.26Å; C72-A74 PolarHBondContact O-N 3.5Å; C72-L75 HydrophobicContact CB-CD1 3.79Å; C72-L75 HydrophobicContact CB-CG 4.45Å; C72-L75 VanDerWaalsContact O-CB 3.24Å; C72-L75 WeakPolarHBondContact O-CB 3.45Å; C72-L75 VanDerWaalsContact O-CG 3.3Å; C72-L75 WeakPolarHBondContact O-CG 3.32Å; C72-L75 PolarHBondContact O-N 3.06Å; C72-L75 VanDerWaalsContact O-N 3.09Å; C72-V98 HydrophobicContact CB-CG2 4.05Å
73	G	95.6	Very high	93	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.8	-168.5	0	0	0	0	0	114.9	C31 M33 L69 L75 L102	C31-G73 PolarHBondContact O-N 3.28Å; M33-G73 VanDerWaalsContact CE-O 3.23Å; M33-G73 WeakPolarHBondContact CE-O 3.38Å; L69-G73 WeakPolarHBondContact O-CA 3.49Å; L69-G73 PolarHBondContact O-N 3.38Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-L102 WeakPolarHBondContact O-CD2 3.23Å
74	A	97.1	Very high	93.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.1	-179.6	0	0	0	0	0	112.5	C31 G32 M33 F43 P44 C72 Y77 M78	C31-A74 WeakPolarHBondContact O-CA 3.43Å; C31-A74 WeakPolarHBondContact O-CB 3.48Å; C31-A74 PolarHBondContact O-N 2.69Å; C31-A74 VanDerWaalsContact SG-C 3.56Å; G32-A74 WeakPolarHBondContact O-CB 3.33Å; M33-A74 HydrophobicContact CG-CB 3.9Å; F43-A74 HydrophobicContact CD1-CB 3.71Å; F43-A74 HydrophobicContact CE1-CB 4.39Å; P44-A74 HydrophobicContact CG-CB 4.32Å; C72-A74 VanDerWaalsContact C-N 3.26Å; C72-A74 PolarHBondContact O-N 3.5Å; A74-Y77 WeakPolarHBondContact O-CB 3.22Å; A74-Y77 PolarHBondContact O-N 3.31Å; A74-M78 WeakPolarHBondContact O-CB 3.31Å; A74-M78 PolarHBondContact O-N 3.47Å
75	L	97.4	Very high	93.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.5	-53	-177.4	-83.5	173.8	0	0	0	113.3	C31 V62 I64 C72 G73 Y77 M78 T79 I88 M90 V98	C31-L75 HydrophobicContact CB-CD2 3.81Å; C31-L75 HydrophobicContact CB-CG 4.11Å; C31-L75 PolarHBondContact O-N 2.87Å; V62-L75 HydrophobicContact CG1-CD2 4.43Å; I64-L75 HydrophobicContact CD1-CD1 4.06Å; I64-L75 HydrophobicContact CD1-CD2 3.79Å; I64-L75 HydrophobicContact CD1-CG 4.11Å; I64-L75 HydrophobicContact CG1-CD1 3.9Å; I64-L75 HydrophobicContact CG1-CD2 4.2Å; I64-L75 HydrophobicContact CG1-CG 4.47Å; C72-L75 HydrophobicContact CB-CD1 3.79Å; C72-L75 HydrophobicContact CB-CG 4.45Å; C72-L75 VanDerWaalsContact O-CB 3.24Å; C72-L75 WeakPolarHBondContact O-CB 3.45Å; C72-L75 VanDerWaalsContact O-CG 3.3Å; C72-L75 WeakPolarHBondContact O-CG 3.32Å; C72-L75 PolarHBondContact O-N 3.06Å; C72-L75 VanDerWaalsContact O-N 3.09Å; G73-L75 VanDerWaalsContact C-N 3.34Å; L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 2.8Å; L75-M78 HydrophobicContact CD2-CE 3.99Å; L75-M78 PolarHBondContact O-N 3.24Å; L75-T79 WeakPolarHBondContact O-CG2 3.44Å; L75-T79 PolarHBondContact O-N 3Å; L75-T79 PolarHBondContact O-OG1 3.17Å; L75-T79 VanDerWaalsContact O-OG1 3.06Å; L75-I88 HydrophobicContact CD2-CD1 4.23Å; L75-I88 HydrophobicContact CD2-CG2 4.46Å; L75-M90 HydrophobicContact CD1-CE 4.17Å; L75-V98 HydrophobicContact CD1-CG1 4.38Å
76	P	97.8	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-28.9	-179.1	-18.7	32.4	0	0	0	113.1	E80 L102 F119 I124 C127	P76-E80 WeakPolarHBondContact O-CB 3.21Å; P76-E80 PolarHBondContact O-N 3.45Å; P76-L102 HydrophobicContact CG-CD1 3.66Å; P76-L102 HydrophobicContact CG-CD2 4.2Å; P76-F119 HydrophobicContact CB-CB 3.93Å; P76-F119 HydrophobicContact CB-CD1 3.97Å; P76-F119 HydrophobicContact CB-CD2 3.86Å; P76-F119 HydrophobicContact CB-CE1 4.42Å; P76-F119 HydrophobicContact CB-CE2 4.34Å; P76-F119 HydrophobicContact CB-CG 3.66Å; P76-F119 HydrophobicContact CG-CD1 4.38Å; P76-F119 HydrophobicContact CG-CD2 4.02Å; P76-F119 HydrophobicContact CG-CE1 4.35Å; P76-F119 HydrophobicContact CG-CE2 4.01Å; P76-F119 HydrophobicContact CG-CG 4.22Å; P76-F119 HydrophobicContact CG-CZ 4.17Å; P76-I124 HydrophobicContact CB-CG1 4.47Å; P76-I124 HydrophobicContact CG-CG1 4.02Å; P76-C127 HydrophobicContact CB-CB 4.45Å; P76-C127 HydrophobicContact CG-CB 4.48Å
77	Y	96.4	Very high	94.5	Very high	52 Å²	52	21.6 Å²	21.6	20%	0.204	14%	0.135	C	C	.	.	I	π-helix	trans	-64.9	-50.6	172.7	170.4	-100.3	0	0	0	110.3	F43 F46 A74 L75 M81 V82	F43-Y77 HydrophobicContact CB-CD1 3.9Å; F43-Y77 HydrophobicContact CB-CE1 3.69Å; F43-Y77 AromaticContact CD1-CD1 3.61Å; F43-Y77 HydrophobicContact CD1-CD1 3.61Å; F43-Y77 HydrophobicContact CD1-CD2 4.4Å; F43-Y77 HydrophobicContact CD1-CE1 4.21Å; F43-Y77 AromaticContact CD1-CG 3.72Å; F43-Y77 HydrophobicContact CD1-CG 3.72Å; F43-Y77 HydrophobicContact CD2-CD1 4.17Å; F43-Y77 HydrophobicContact CD2-CD2 4.17Å; F43-Y77 HydrophobicContact CD2-CE1 4.05Å; F43-Y77 HydrophobicContact CD2-CE2 4.07Å; F43-Y77 HydrophobicContact CD2-CG 4.22Å; F43-Y77 HydrophobicContact CE1-CD1 4.12Å; F43-Y77 HydrophobicContact CE1-CD2 4.2Å; F43-Y77 AromaticContact CE1-CG 3.72Å; F43-Y77 HydrophobicContact CE1-CG 3.72Å; F43-Y77 AromaticContact CE2-CD2 3.96Å; F43-Y77 HydrophobicContact CE2-CD2 3.96Å; F43-Y77 HydrophobicContact CE2-CE2 4.13Å; F43-Y77 HydrophobicContact CE2-CG 4.23Å; F43-Y77 AromaticContact CG-CD1 3.62Å; F43-Y77 HydrophobicContact CG-CD1 3.62Å; F43-Y77 HydrophobicContact CG-CD2 4.38Å; F43-Y77 AromaticContact CG-CE1 3.73Å; F43-Y77 HydrophobicContact CG-CE1 3.73Å; F43-Y77 HydrophobicContact CG-CE2 4.49Å; F43-Y77 AromaticContact CG-CG 3.97Å; F43-Y77 HydrophobicContact CG-CG 3.97Å; F43-Y77 AromaticContact CZ-CD2 3.96Å; F43-Y77 HydrophobicContact CZ-CD2 3.96Å; F43-Y77 AromaticContact CZ-CG 3.97Å; F43-Y77 HydrophobicContact CZ-CG 3.97Å; F46-Y77 HydrophobicContact CD2-CD1 4.44Å; F46-Y77 AromaticContact CD2-CE1 3.9Å; F46-Y77 HydrophobicContact CD2-CE1 3.9Å; F46-Y77 AromaticContact CE2-CD1 3.86Å; F46-Y77 HydrophobicContact CE2-CD1 3.86Å; F46-Y77 AromaticContact CE2-CE1 3.74Å; F46-Y77 HydrophobicContact CE2-CE1 3.74Å; A74-Y77 WeakPolarHBondContact O-CB 3.22Å; A74-Y77 PolarHBondContact O-N 3.31Å; L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 2.8Å; Y77-M81 HydrophobicContact CD2-CB 3.96Å; Y77-M81 HydrophobicContact CD2-CG 4.3Å; Y77-M81 HydrophobicContact CD2-SD 3.74Å; Y77-M81 HydrophobicContact CE2-CB 4.31Å; Y77-M81 HydrophobicContact CE2-SD 4.47Å; Y77-M81 WeakPolarHBondContact O-CA 3.3Å; Y77-M81 VanDerWaalsContact O-CB 3.26Å; Y77-M81 WeakPolarHBondContact O-CB 3.36Å; Y77-M81 PolarHBondContact O-N 2.82Å; Y77-V82 HydrophobicContact CD1-CG2 4.04Å; Y77-V82 HydrophobicContact CE1-CG2 3.58Å; Y77-V82 HydrophobicContact CE2-CG2 4.35Å; Y77-V82 PolarHBondContact O-N 2.88Å
78	M	97.2	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-63.2	-45	178.9	-177.6	-81.5	-68.4	0	0	112	M28 C31 F46 L55 V62 A74 L75 V82 G83 Y84	M28-M78 HydrophobicContact SD-CE 4.5Å; C31-M78 VanDerWaalsContact SG-CB 3.58Å; F46-M78 HydrophobicContact CD1-CG 4.39Å; F46-M78 HydrophobicContact CE1-CB 4.33Å; F46-M78 HydrophobicContact CE1-CG 3.71Å; F46-M78 HydrophobicContact CE2-CB 4Å; F46-M78 HydrophobicContact CE2-CG 4.18Å; F46-M78 HydrophobicContact CZ-CB 3.68Å; F46-M78 HydrophobicContact CZ-CG 3.59Å; L55-M78 HydrophobicContact CD1-CG 3.85Å; L55-M78 HydrophobicContact CD1-SD 3.84Å; V62-M78 HydrophobicContact CG1-CE 4.45Å; V62-M78 HydrophobicContact CG2-CE 3.85Å; A74-M78 WeakPolarHBondContact O-CB 3.31Å; A74-M78 PolarHBondContact O-N 3.47Å; L75-M78 HydrophobicContact CD2-CE 3.99Å; L75-M78 PolarHBondContact O-N 3.24Å; M78-V82 WeakPolarHBondContact O-CB 3.32Å; M78-G83 PolarHBondContact O-N 2.82Å; M78-Y84 HydrophobicContact CE-CD1 3.94Å; M78-Y84 HydrophobicContact CE-CG 4.46Å; M78-Y84 WeakPolarHBondContact SD-CB 3.01Å; M78-Y84 HydrophobicContact SD-CD1 3.81Å; M78-Y84 HydrophobicContact SD-CG 3.73Å
79	T	97.8	Very high	94.8	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.025	13%	0.133	C	C	.	.	I	π-helix	trans	-75.8	-47.2	-175.3	59.1	0	0	0	0	113.2	L75 G83 Y84 I88 C127 K130	L75-T79 WeakPolarHBondContact O-CG2 3.44Å; L75-T79 PolarHBondContact O-N 3Å; L75-T79 PolarHBondContact O-OG1 3.17Å; L75-T79 VanDerWaalsContact O-OG1 3.06Å; T79-G83 WeakPolarHBondContact O-CA 3.4Å; T79-Y84 HydrophobicContact CG2-CD1 4.25Å; T79-Y84 PolarHBondContact O-N 2.78Å; T79-I88 HydrophobicContact CG2-CD1 3.73Å; T79-C127 WeakPolarHBondContact OG1-CB 3.49Å; T79-C127 PolarHBondContact OG1-SG 3.29Å; T79-C127 VanDerWaalsContact OG1-SG 3.37Å; T79-K130 HydrophobicContact CG2-CD 4.32Å
80	E	96.9	Very high	94.7	Very high	52 Å²	52	20.1 Å²	20.1	24%	0.243	13%	0.126	C	C	.	.	I	π-helix	trans	-103	-24.5	-169.9	-45.8	-40.7	134.1	0	0	114	P76 M123 C127 K130	P76-E80 WeakPolarHBondContact O-CB 3.21Å; P76-E80 PolarHBondContact O-N 3.45Å; E80-M123 HydrophobicContact CB-CB 4Å; E80-M123 HydrophobicContact CB-CE 3.54Å; E80-M123 HydrophobicContact CB-CG 3.86Å; E80-M123 HydrophobicContact CG-CB 3.66Å; E80-M123 HydrophobicContact CG-CE 4.45Å; E80-M123 HydrophobicContact CG-CG 3.98Å; E80-C127 WeakPolarHBondContact OE1-CA 3.26Å; E80-C127 PolarHBondContact OE1-N 2.68Å; E80-K130 IonicContact OE1-NZ 3.49Å; E80-K130 PolarHBondContact OE1-NZ 2.82Å; E80-K130 IonicContact OE2-NZ 3.81Å; E80-K130 PolarHBondContact OE2-NZ 3Å
81	M	94.8	Very high	94.4	Very high	77 Å²	77	19.2 Å²	19.2	38%	0.379	12%	0.122	S	C	.	.	I	π-helix	trans	-98.2	-44.4	179.3	-56.3	-175.6	70.6	0	0	112.4	Y77 F119 M123	Y77-M81 HydrophobicContact CD2-CB 3.96Å; Y77-M81 HydrophobicContact CD2-CG 4.3Å; Y77-M81 HydrophobicContact CD2-SD 3.74Å; Y77-M81 HydrophobicContact CE2-CB 4.31Å; Y77-M81 HydrophobicContact CE2-SD 4.47Å; Y77-M81 WeakPolarHBondContact O-CA 3.3Å; Y77-M81 VanDerWaalsContact O-CB 3.26Å; Y77-M81 WeakPolarHBondContact O-CB 3.36Å; Y77-M81 PolarHBondContact O-N 2.82Å; M81-F119 HydrophobicContact SD-CB 4.33Å; M81-M123 HydrophobicContact CB-CE 4.5Å; M81-M123 HydrophobicContact CG-CE 3.17Å; M81-M123 HydrophobicContact SD-CE 3.89Å
82	V	95.2	Very high	94.2	Very high	46 Å²	46	21.3 Å²	21.3	28%	0.279	14%	0.136	S	C	.	.	I	π-helix	trans	-80.8	-40.4	175.8	-175.5	0	0	0	0	110.7	F46 T50 L55 Y77 M78	F46-V82 HydrophobicContact CB-CG1 4.42Å; F46-V82 HydrophobicContact CD2-CG2 4.02Å; T50-V82 HydrophobicContact CG2-CG1 3.8Å; L55-V82 HydrophobicContact CD1-CB 4.14Å; L55-V82 HydrophobicContact CD1-CG1 3.65Å; L55-V82 HydrophobicContact CG-CG1 4.16Å; Y77-V82 HydrophobicContact CD1-CG2 4.04Å; Y77-V82 HydrophobicContact CE1-CG2 3.58Å; Y77-V82 HydrophobicContact CE2-CG2 4.35Å; Y77-V82 PolarHBondContact O-N 2.88Å; M78-V82 WeakPolarHBondContact O-CB 3.32Å
83	G	94.7	Very high	93.8	Very high	33 Å²	33	21.3 Å²	21.3	34%	0.34	14%	0.136	S	C	.	.	I	π-helix	trans	105.6	97.7	173.7	0	0	0	0	0	112.7	L55 M78 T79	L55-G83 WeakPolarHBondContact CB-O 3.09Å; M78-G83 PolarHBondContact O-N 2.82Å; T79-G83 WeakPolarHBondContact O-CA 3.4Å
84	Y	97.1	Very high	93.5	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.012	14%	0.136	C	C	.	.			trans	-144.7	118.2	171.3	177.4	-107.1	0	0	0	110.1	L55 D56 L59 C61 V62 M78 T79 G86 P87 I88 K130	L55-Y84 HydrophobicContact CB-CD2 3.94Å; L55-Y84 HydrophobicContact CB-CG 4.45Å; D56-Y84 WeakPolarHBondContact OD1-CA 3.15Å; D56-Y84 WeakPolarHBondContact OD1-CD2 3.47Å; L59-Y84 HydrophobicContact CB-CD2 4.41Å; L59-Y84 HydrophobicContact CB-CE2 3.72Å; L59-Y84 HydrophobicContact CD1-CD2 4.35Å; L59-Y84 HydrophobicContact CD1-CE2 4.28Å; C61-Y84 WeakPolarHBondContact CA-OH 3.43Å; V62-Y84 HydrophobicContact CB-CE1 4.36Å; V62-Y84 HydrophobicContact CG2-CD1 4.09Å; V62-Y84 HydrophobicContact CG2-CE1 3.44Å; V62-Y84 VanDerWaalsContact CG2-CE1 3.44Å; M78-Y84 HydrophobicContact CE-CD1 3.94Å; M78-Y84 HydrophobicContact CE-CG 4.46Å; M78-Y84 WeakPolarHBondContact SD-CB 3.01Å; M78-Y84 HydrophobicContact SD-CD1 3.81Å; M78-Y84 HydrophobicContact SD-CG 3.73Å; T79-Y84 HydrophobicContact CG2-CD1 4.25Å; T79-Y84 PolarHBondContact O-N 2.78Å; Y84-G86 VanDerWaalsContact CE1-C 3.47Å; Y84-G86 VanDerWaalsContact CE1-O 3.28Å; Y84-G86 WeakPolarHBondContact CE1-O 3.28Å; Y84-G86 WeakPolarHBondContact OH-CA 3.38Å; Y84-P87 PolarHBondContact OH-O 2.93Å; Y84-I88 HydrophobicContact CE1-CG1 4.24Å; Y84-K130 VanDerWaalsContact O-CE 3.24Å; Y84-K130 WeakPolarHBondContact O-CE 3.45Å
85	G	95.7	Very high	93.2	Very high	51 Å²	51	24.5 Å²	24.5	53%	0.526	15%	0.15	S	C	.	.			trans	-100.1	-4.3	178.2	0	0	0	0	0	114.5	D56	D56-G85 PolarHBondContact OD1-N 3.5Å; D56-G85 PolarHBondContact OD2-N 3.16Å
86	G	93	Very high	92.9	Very high	17 Å²	17	25.8 Å²	25.8	18%	0.175	16%	0.161	C	C	.	.	S	Bend	trans	-72	174.3	-177.7	0	0	0	0	0	115.6	D56 Y84	D56-G86 PolarHBondContact OD1-N 3.28Å; Y84-G86 VanDerWaalsContact CE1-C 3.47Å; Y84-G86 VanDerWaalsContact CE1-O 3.28Å; Y84-G86 WeakPolarHBondContact CE1-O 3.28Å; Y84-G86 WeakPolarHBondContact OH-CA 3.38Å
87	P	92.6	Very high	92.4	Very high	36 Å²	36	25.9 Å²	25.9	23%	0.234	16%	0.161	C	C	.	.			trans	-75.2	141.2	-174.2	30.5	-34.8	0	0	0	112.9	C61 V62 Y84 Y89 I132	C61-P87 WeakPolarHBondContact CA-O 3.43Å; C61-P87 HydrophobicContact CB-CG 4Å; V62-P87 PolarHBondContact N-O 3.23Å; Y84-P87 PolarHBondContact OH-O 2.93Å; P87-Y89 HydrophobicContact CB-CE2 3.93Å; P87-Y89 HydrophobicContact CG-CE2 4.07Å; P87-I132 HydrophobicContact CB-CD1 3.83Å
88	I	93.4	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.2	176.2	-52.5	171.8	0	0	0	108.9	V62 I64 L75 T79 Y84 M90 K130 V131 I132	V62-I88 HydrophobicContact CB-CG1 4.24Å; V62-I88 HydrophobicContact CB-CG2 4.33Å; V62-I88 HydrophobicContact CG1-CG2 4.34Å; V62-I88 CarbonylContact O-C 3.45Å; V62-I88 WeakPolarHBondContact O-CA 3.4Å; I64-I88 HydrophobicContact CG1-CG2 3.91Å; L75-I88 HydrophobicContact CD2-CD1 4.23Å; L75-I88 HydrophobicContact CD2-CG2 4.46Å; T79-I88 HydrophobicContact CG2-CD1 3.73Å; Y84-I88 HydrophobicContact CE1-CG1 4.24Å; I88-M90 HydrophobicContact CG2-CE 3.61Å; I88-K130 HydrophobicContact CD1-CB 4.06Å; I88-K130 HydrophobicContact CG1-CB 4.31Å; I88-K130 PolarHBondContact N-O 2.7Å; I88-K130 VanDerWaalsContact N-O 3.09Å; I88-V131 HydrophobicContact CB-CG2 4.14Å; I88-V131 HydrophobicContact CG2-CG2 4.28Å; I88-V131 CarbonylContact O-C 3.55Å; I88-V131 VanDerWaalsContact O-CA 3.28Å; I88-V131 WeakPolarHBondContact O-CA 3.28Å; I88-I132 PolarHBondContact O-N 3.48Å
89	Y	89	Confident	92	Very high	25 Å²	25	25.2 Å²	25.2	10%	0.098	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.9	179.4	-63.8	-83.3	0	0	0	110.8	C61 V62 I63 I64 P87 I132 V134 V140 V142	C61-Y89 HydrophobicContact CB-CD2 3.91Å; C61-Y89 HydrophobicContact CB-CE2 3.66Å; V62-Y89 PolarHBondContact O-N 2.97Å; I63-Y89 CarbonylContact C-O 3.59Å; I63-Y89 WeakPolarHBondContact CA-O 3.42Å; I64-Y89 PolarHBondContact N-O 3.38Å; P87-Y89 HydrophobicContact CB-CE2 3.93Å; P87-Y89 HydrophobicContact CG-CE2 4.07Å; Y89-I132 HydrophobicContact CD1-CB 3.84Å; Y89-I132 HydrophobicContact CD1-CG2 4.05Å; Y89-I132 HydrophobicContact CE1-CB 3.74Å; Y89-I132 HydrophobicContact CE1-CD1 3.73Å; Y89-I132 HydrophobicContact CE1-CG1 4.3Å; Y89-I132 HydrophobicContact CE1-CG2 3.77Å; Y89-V134 HydrophobicContact CD1-CG2 3.98Å; Y89-V140 HydrophobicContact CD1-CG1 4.26Å; Y89-V140 HydrophobicContact CE1-CG1 3.65Å; Y89-V142 HydrophobicContact CD2-CG2 4.48Å; Y89-V142 HydrophobicContact CE1-CG2 4.45Å; Y89-V142 HydrophobicContact CE2-CG2 3.62Å; Y89-V142 WeakPolarHBondContact OH-CG2 2.99Å
90	M	88.7	Confident	91.6	Very high	2 Å²	2	26 Å²	26	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	167.6	173	67.6	-171.1	64.9	0	0	110.1	I64 L75 I88 T94 K95 V98 V131 I132 P133 V134	I64-M90 HydrophobicContact CB-CB 4.03Å; I64-M90 HydrophobicContact CB-CE 4.07Å; I64-M90 HydrophobicContact CG1-CE 3.86Å; L75-M90 HydrophobicContact CD1-CE 4.17Å; I88-M90 HydrophobicContact CG2-CE 3.61Å; M90-T94 HydrophobicContact CB-CG2 3.87Å; M90-T94 HydrophobicContact CG-CG2 4.07Å; M90-T94 HydrophobicContact SD-CG2 3.74Å; M90-K95 HydrophobicContact CG-CB 3.98Å; M90-K95 VanDerWaalsContact SD-CA 3.53Å; M90-K95 HydrophobicContact SD-CB 3.97Å; M90-V98 HydrophobicContact SD-CG2 4.15Å; M90-V131 HydrophobicContact CE-CB 4.36Å; M90-V131 HydrophobicContact CE-CG1 3.72Å; M90-V131 HydrophobicContact CE-CG2 3.63Å; M90-V131 HydrophobicContact CG-CG1 3.51Å; M90-V131 HydrophobicContact SD-CG1 3.66Å; M90-V131 HydrophobicContact SD-CG2 4.33Å; M90-I132 PolarHBondContact N-O 2.77Å; M90-P133 CarbonylContact O-C 3.31Å; M90-P133 WeakPolarHBondContact O-CA 3.36Å; M90-V134 PolarHBondContact O-N 3.36Å
91	T	86	Confident	91.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	157.6	177.9	57.5	0	0	0	0	113	T94 K95 V134 C151 G158 S160 W285	T91-T94 WeakPolarHBondContact O-CB 3.39Å; T91-T94 PolarHBondContact O-N 3.26Å; T91-T94 VanDerWaalsContact O-N 3.12Å; T91-T94 VanDerWaalsContact OG1-CB 3.25Å; T91-T94 WeakPolarHBondContact OG1-CB 3.24Å; T91-T94 PolarHBondContact OG1-N 2.96Å; T91-T94 PolarHBondContact OG1-OG1 3.36Å; T91-K95 PolarHBondContact O-N 3.35Å; T91-V134 WeakPolarHBondContact CA-O 3.44Å; T91-C151 WeakPolarHBondContact CG2-SG 3.39Å; T91-G158 PolarHBondContact OG1-O 2.96Å; T91-S160 VanDerWaalsContact CG2-OG 3.25Å; T91-S160 WeakPolarHBondContact CG2-OG 3.46Å; T91-W285 HydrophobicContact CG2-CH2 3.9Å; T91-W285 HydrophobicContact CG2-CZ3 3.97Å
92	C	87.6	Confident	91.1	Very high	47 Å²	47	20.9 Å²	20.9	32%	0.318	14%	0.143	S	C	.	.	H	α-helix	trans	-53	-46.7	175.8	-59.7	0	0	0	0	113.7	T94 K95 A96 V134 F282 W285	C92-T94 VanDerWaalsContact C-N 3.33Å; C92-T94 PolarHBondContact O-N 3.33Å; C92-K95 PolarHBondContact O-N 3.5Å; C92-A96 WeakPolarHBondContact O-CB 3.48Å; C92-A96 PolarHBondContact O-N 3.4Å; C92-A96 VanDerWaalsContact O-N 3.07Å; C92-V134 PolarHBondContact N-O 3.14Å; C92-F282 HydrophobicContact CB-CE1 4.02Å; C92-W285 HydrophobicContact CB-CZ2 4.48Å
93	P	86.5	Confident	90.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.2	-33.4	178.5	-14.1	29.2	0	0	0	112.2	A96 M97 F282 W285	P93-A96 PolarHBondContact O-N 2.92Å; P93-M97 WeakPolarHBondContact O-CB 3.37Å; P93-M97 WeakPolarHBondContact O-CG 3.46Å; P93-M97 PolarHBondContact O-N 3.01Å; P93-F282 HydrophobicContact CB-CD1 4.18Å; P93-F282 HydrophobicContact CB-CD2 3.7Å; P93-F282 HydrophobicContact CB-CE1 4.29Å; P93-F282 HydrophobicContact CB-CE2 3.84Å; P93-F282 HydrophobicContact CB-CG 3.88Å; P93-F282 HydrophobicContact CB-CZ 4.14Å; P93-F282 HydrophobicContact CG-CB 4.22Å; P93-F282 HydrophobicContact CG-CD1 3.67Å; P93-F282 HydrophobicContact CG-CD2 4.1Å; P93-F282 HydrophobicContact CG-CE1 3.98Å; P93-F282 HydrophobicContact CG-CE2 4.38Å; P93-F282 HydrophobicContact CG-CG 3.73Å; P93-F282 HydrophobicContact CG-CZ 4.33Å; P93-W285 HydrophobicContact CG-CD2 3.73Å; P93-W285 HydrophobicContact CG-CE3 3.95Å; P93-W285 HydrophobicContact CG-CG 4.17Å; P93-W285 HydrophobicContact CG-CH2 4.31Å; P93-W285 HydrophobicContact CG-CZ2 4.12Å; P93-W285 HydrophobicContact CG-CZ3 4.22Å
94	T	88	Confident	90.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-49.9	173.6	-62.8	0	0	0	0	110.9	I64 F67 M90 T91 C92 A96 M97 V98 G158	I64-T94 HydrophobicContact CG2-CG2 4.26Å; F67-T94 HydrophobicContact CB-CG2 4.01Å; M90-T94 HydrophobicContact CB-CG2 3.87Å; M90-T94 HydrophobicContact CG-CG2 4.07Å; M90-T94 HydrophobicContact SD-CG2 3.74Å; T91-T94 WeakPolarHBondContact O-CB 3.39Å; T91-T94 PolarHBondContact O-N 3.26Å; T91-T94 VanDerWaalsContact O-N 3.12Å; T91-T94 VanDerWaalsContact OG1-CB 3.25Å; T91-T94 WeakPolarHBondContact OG1-CB 3.24Å; T91-T94 PolarHBondContact OG1-N 2.96Å; T91-T94 PolarHBondContact OG1-OG1 3.36Å; C92-T94 VanDerWaalsContact C-N 3.33Å; C92-T94 PolarHBondContact O-N 3.33Å; T94-A96 PolarHBondContact O-N 3.5Å; T94-M97 PolarHBondContact O-N 2.89Å; T94-V98 HydrophobicContact CG2-CG2 3.74Å; T94-V98 WeakPolarHBondContact O-CG2 3.39Å; T94-V98 PolarHBondContact O-N 3.46Å; T94-G158 PolarHBondContact OG1-O 2.92Å
95	K	91.8	Very high	90	Very high	68 Å²	68	22.3 Å²	22.3	30%	0.296	14%	0.14	S	C	.	.	H	α-helix	trans	-56	-37.6	175.8	-178.4	177.2	-176.8	166.6	0	112.4	M90 T91 C92 P99 V131 P133	M90-K95 HydrophobicContact CG-CB 3.98Å; M90-K95 VanDerWaalsContact SD-CA 3.53Å; M90-K95 HydrophobicContact SD-CB 3.97Å; T91-K95 PolarHBondContact O-N 3.35Å; C92-K95 PolarHBondContact O-N 3.5Å; K95-P99 WeakPolarHBondContact O-CD 3.23Å; K95-V131 HydrophobicContact CB-CG1 4.15Å; K95-V131 HydrophobicContact CD-CB 4.23Å; K95-V131 HydrophobicContact CD-CG1 3.74Å; K95-V131 HydrophobicContact CG-CB 4.41Å; K95-V131 HydrophobicContact CG-CG1 3.86Å; K95-V131 PolarHBondContact NZ-O 3.4Å; K95-P133 HydrophobicContact CD-CB 3.96Å; K95-P133 HydrophobicContact CD-CG 4.24Å
96	A	90	Very high	89.8	Confident	27 Å²	27	21.8 Å²	21.8	22%	0.223	12%	0.122	C	C	.	.	H	α-helix	trans	-72.1	-30.7	179.8	0	0	0	0	0	112.8	C92 P93 T94 Y278 F282	C92-A96 WeakPolarHBondContact O-CB 3.48Å; C92-A96 PolarHBondContact O-N 3.4Å; C92-A96 VanDerWaalsContact O-N 3.07Å; P93-A96 PolarHBondContact O-N 2.92Å; T94-A96 PolarHBondContact O-N 3.5Å; A96-Y278 HydrophobicContact CB-CD1 4.31Å; A96-Y278 HydrophobicContact CB-CE1 3.77Å; A96-Y278 PolarHBondContact O-OH 3.28Å; A96-F282 HydrophobicContact CB-CE2 3.72Å; A96-F282 HydrophobicContact CB-CZ 3.71Å
97	M	88	Confident	89.5	Confident	2 Å²	2	26 Å²	26	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-92	-38.4	-174.8	-77	-52	-37.3	0	0	115.1	F67 P93 T94 V100 L101 L242 Y278	F67-M97 HydrophobicContact CB-CB 3.67Å; F67-M97 HydrophobicContact CD1-CB 3.98Å; F67-M97 HydrophobicContact CD1-CG 4.16Å; F67-M97 HydrophobicContact CD2-CB 4.18Å; F67-M97 HydrophobicContact CE1-CG 4.48Å; F67-M97 HydrophobicContact CG-CB 3.66Å; F67-M97 HydrophobicContact CG-CG 4.24Å; P93-M97 WeakPolarHBondContact O-CB 3.37Å; P93-M97 WeakPolarHBondContact O-CG 3.46Å; P93-M97 PolarHBondContact O-N 3.01Å; T94-M97 PolarHBondContact O-N 2.89Å; M97-V100 HydrophobicContact CE-CB 4.18Å; M97-V100 HydrophobicContact CE-CG1 4.35Å; M97-V100 WeakPolarHBondContact O-CB 3.35Å; M97-V100 PolarHBondContact O-N 3.23Å; M97-L101 HydrophobicContact CE-CD1 4.39Å; M97-L101 HydrophobicContact CE-CD2 4.43Å; M97-L101 HydrophobicContact CE-CG 4.09Å; M97-L101 PolarHBondContact O-N 2.8Å; M97-L101 VanDerWaalsContact O-N 3.1Å; M97-L242 HydrophobicContact CE-CD1 3.01Å; M97-L242 HydrophobicContact CE-CG 4.47Å; M97-L242 HydrophobicContact CG-CD1 4.23Å; M97-L242 HydrophobicContact SD-CD1 3.33Å; M97-L242 WeakPolarHBondContact SD-CD1 3.4Å; M97-L242 HydrophobicContact SD-CD2 4.29Å; M97-L242 HydrophobicContact SD-CG 4.45Å; M97-Y278 HydrophobicContact CE-CD2 4.27Å; M97-Y278 HydrophobicContact CE-CE2 4.08Å; M97-Y278 HydrophobicContact SD-CD1 3.94Å; M97-Y278 HydrophobicContact SD-CD2 3.19Å; M97-Y278 WeakPolarHBondContact SD-CD2 3.43Å; M97-Y278 HydrophobicContact SD-CE1 4.01Å; M97-Y278 HydrophobicContact SD-CE2 3.32Å; M97-Y278 WeakPolarHBondContact SD-CE2 3.35Å; M97-Y278 HydrophobicContact SD-CG 3.53Å; M97-Y278 VanDerWaalsContact SD-CG 3.53Å
98	V	92.4	Very high	88.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-47.6	-51.9	-178.9	168.2	0	0	0	0	112.9	F67 C72 L75 M90 T94 V100 L101 L102 M128	F67-V98 HydrophobicContact CB-CG2 3.94Å; C72-V98 HydrophobicContact CB-CG2 4.05Å; L75-V98 HydrophobicContact CD1-CG1 4.38Å; M90-V98 HydrophobicContact SD-CG2 4.15Å; T94-V98 HydrophobicContact CG2-CG2 3.74Å; T94-V98 WeakPolarHBondContact O-CG2 3.39Å; T94-V98 PolarHBondContact O-N 3.46Å; V98-V100 VanDerWaalsContact C-N 3.28Å; V98-V100 PolarHBondContact O-N 2.98Å; V98-L101 PolarHBondContact O-N 3.48Å; V98-L102 HydrophobicContact CG1-CD1 3.43Å; V98-L102 VanDerWaalsContact CG1-CD1 3.43Å; V98-L102 HydrophobicContact CG1-CG 4.13Å; V98-L102 WeakPolarHBondContact O-CB 3.24Å; V98-L102 VanDerWaalsContact O-CG 3.25Å; V98-L102 WeakPolarHBondContact O-CG 3.05Å; V98-L102 PolarHBondContact O-N 3.24Å; V98-M128 HydrophobicContact CB-SD 4.2Å; V98-M128 HydrophobicContact CG1-CE 3.59Å; V98-M128 HydrophobicContact CG1-SD 3.82Å
99	P	93.5	Very high	88.5	Confident	38 Å²	38	25 Å²	25	25%	0.247	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-31.4	-178	24.4	-33.5	0	0	0	113.1	K95 E103 I124 M128	K95-P99 WeakPolarHBondContact O-CD 3.23Å; P99-E103 VanDerWaalsContact O-CB 3.23Å; P99-E103 WeakPolarHBondContact O-CB 3.25Å; P99-E103 PolarHBondContact O-N 2.88Å; P99-I124 HydrophobicContact CB-CG2 3.96Å; P99-M128 HydrophobicContact CB-CG 4.02Å; P99-M128 HydrophobicContact CG-CG 4.26Å; P99-M128 HydrophobicContact CG-SD 4.46Å
100	V	89.3	Confident	88.3	Confident	19 Å²	19	26.1 Å²	26.1	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-68.3	-45.9	178.1	175.1	0	0	0	0	110.8	M97 V98 D104 L271 Y278	M97-V100 HydrophobicContact CE-CB 4.18Å; M97-V100 HydrophobicContact CE-CG1 4.35Å; M97-V100 WeakPolarHBondContact O-CB 3.35Å; M97-V100 PolarHBondContact O-N 3.23Å; V98-V100 VanDerWaalsContact C-N 3.28Å; V98-V100 PolarHBondContact O-N 2.98Å; V100-D104 WeakPolarHBondContact O-CB 3.47Å; V100-D104 PolarHBondContact O-N 3.23Å; V100-L271 HydrophobicContact CG1-CD2 3.95Å; V100-Y278 HydrophobicContact CG2-CE2 4.39Å; V100-Y278 WeakPolarHBondContact CG2-OH 3.26Å
101	L	88.5	Confident	87.7	Confident	22 Å²	22	30.9 Å²	30.9	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-70.9	-39.3	-179.3	-65.5	174.8	0	0	0	111.9	F67 L69 M97 V98 Y105 A241	F67-L101 HydrophobicContact CB-CD1 4.28Å; F67-L101 HydrophobicContact CD2-CD1 3.41Å; F67-L101 VanDerWaalsContact CD2-CD1 3.41Å; F67-L101 HydrophobicContact CE2-CD1 4.17Å; F67-L101 HydrophobicContact CG-CD1 4.25Å; F67-L101 WeakPolarHBondContact O-CD1 3.12Å; L69-L101 HydrophobicContact CD2-CB 4.09Å; L69-L101 HydrophobicContact CG-CB 4.46Å; M97-L101 HydrophobicContact CE-CD1 4.39Å; M97-L101 HydrophobicContact CE-CD2 4.43Å; M97-L101 HydrophobicContact CE-CG 4.09Å; M97-L101 PolarHBondContact O-N 2.8Å; M97-L101 VanDerWaalsContact O-N 3.1Å; V98-L101 PolarHBondContact O-N 3.48Å; L101-Y105 WeakPolarHBondContact O-CB 3.37Å; L101-Y105 PolarHBondContact O-N 2.99Å; L101-A241 HydrophobicContact CD2-CB 4.41Å
102	L	93.1	Very high	87.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-44.6	174.4	-72.4	171.6	0	0	0	111.4	L69 G73 P76 V98 Y105 R106 F119 I124	L69-L102 HydrophobicContact CD2-CD2 3.99Å; L69-L102 HydrophobicContact CD2-CG 4.45Å; G73-L102 WeakPolarHBondContact O-CD2 3.23Å; P76-L102 HydrophobicContact CG-CD1 3.66Å; P76-L102 HydrophobicContact CG-CD2 4.2Å; V98-L102 HydrophobicContact CG1-CD1 3.43Å; V98-L102 VanDerWaalsContact CG1-CD1 3.43Å; V98-L102 HydrophobicContact CG1-CG 4.13Å; V98-L102 WeakPolarHBondContact O-CB 3.24Å; V98-L102 VanDerWaalsContact O-CG 3.25Å; V98-L102 WeakPolarHBondContact O-CG 3.05Å; V98-L102 PolarHBondContact O-N 3.24Å; L102-Y105 PolarHBondContact O-N 3.49Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.32Å; L102-F119 HydrophobicContact CB-CE2 4.45Å; L102-F119 HydrophobicContact CD2-CE2 4.32Å; L102-F119 HydrophobicContact CD2-CZ 3.87Å; L102-I124 HydrophobicContact CB-CD1 3.82Å; L102-I124 HydrophobicContact CB-CG1 4.16Å; L102-I124 HydrophobicContact CB-CG2 4.24Å; L102-I124 HydrophobicContact CD1-CG2 4.12Å
103	E	90.5	Very high	86.3	Confident	41 Å²	41	40 Å²	40	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-179.7	-177.4	57.2	-149.3	0	0	112	P99 R106 K107 S121 I124	P99-E103 VanDerWaalsContact O-CB 3.23Å; P99-E103 WeakPolarHBondContact O-CB 3.25Å; P99-E103 PolarHBondContact O-N 2.88Å; E103-R106 IonicContact OE1-CZ 3.55Å; E103-R106 IonicContact OE1-NE 3.86Å; E103-R106 PolarHBondContact OE1-NE 2.97Å; E103-R106 IonicContact OE1-NH2 3.24Å; E103-R106 PolarHBondContact OE1-NH2 3.11Å; E103-R106 IonicContact OE2-CZ 3.7Å; E103-R106 IonicContact OE2-NE 2.8Å; E103-R106 PolarHBondContact OE2-NE 3.13Å; E103-R106 VanDerWaalsContact OE2-NE 3.07Å; E103-R106 IonicContact OE2-NH2 2.8Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.5Å; E103-K107 PolarHBondContact O-N 3.43Å; E103-K107 WeakPolarHBondContact OE1-CE 3.39Å; E103-S121 VanDerWaalsContact CD-OG 3.24Å; E103-S121 PolarHBondContact OE1-OG 2.83Å; E103-S121 WeakPolarHBondContact OE2-CB 3.45Å; E103-S121 PolarHBondContact OE2-OG 3.26Å; E103-I124 HydrophobicContact CB-CD1 4.31Å
104	D	85.8	Confident	85.8	Confident	65 Å²	65	42.6 Å²	42.6	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-49.7	174.1	-170.6	61.1	0	0	0	111.2	V100 R106 K107 V108	V100-D104 WeakPolarHBondContact O-CB 3.47Å; V100-D104 PolarHBondContact O-N 3.23Å; D104-R106 PolarHBondContact O-N 3.33Å; D104-K107 PolarHBondContact O-N 3.12Å; D104-V108 WeakPolarHBondContact O-CG2 3.44Å; D104-V108 PolarHBondContact O-N 3Å; D104-V108 VanDerWaalsContact O-N 3.11Å
105	Y	87.2	Confident	85.4	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-43	177.3	-173.5	-97.8	0	0	0	112.2	M33 M35 L69 L101 L102 K107 V108 Q109 F118	M33-Y105 HydrophobicContact CE-CD1 3.52Å; M33-Y105 HydrophobicContact CE-CE1 3.29Å; M33-Y105 HydrophobicContact CE-CG 4.34Å; M33-Y105 HydrophobicContact SD-CE1 4.01Å; M35-Y105 HydrophobicContact SD-CE2 3.88Å; L69-Y105 HydrophobicContact CD1-CD2 3.73Å; L69-Y105 HydrophobicContact CD1-CG 3.85Å; L101-Y105 WeakPolarHBondContact O-CB 3.37Å; L101-Y105 PolarHBondContact O-N 2.99Å; L102-Y105 PolarHBondContact O-N 3.49Å; Y105-K107 PolarHBondContact O-N 3.18Å; Y105-V108 WeakPolarHBondContact O-CB 3.42Å; Y105-V108 PolarHBondContact O-N 3.34Å; Y105-V108 VanDerWaalsContact O-N 3.13Å; Y105-Q109 HydrophobicContact CD1-CG 3.93Å; Y105-Q109 HydrophobicContact CE1-CG 3.52Å; Y105-Q109 VanDerWaalsContact CZ-NE2 3.29Å; Y105-Q109 WeakPolarHBondContact O-CG 3.45Å; Y105-Q109 PolarHBondContact O-N 2.81Å; Y105-Q109 PolarHBondContact OH-NE2 3Å; Y105-F118 HydrophobicContact CD1-CE1 4.07Å; Y105-F118 AromaticContact CD1-CZ 3.89Å; Y105-F118 HydrophobicContact CD1-CZ 3.89Å; Y105-F118 HydrophobicContact CE1-CE1 4.27Å; Y105-F118 HydrophobicContact CE1-CE2 4.49Å; Y105-F118 AromaticContact CE1-CZ 3.68Å; Y105-F118 HydrophobicContact CE1-CZ 3.68Å
106	R	90.6	Very high	84.6	Confident	39 Å²	39	45.8 Å²	45.8	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-47.6	176.9	-171.3	-155.2	68.2	76.2	-2.1	111.5	L102 E103 D104 V108 Q109 V110 F118 F119 S121 I124	L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.32Å; E103-R106 IonicContact OE1-CZ 3.55Å; E103-R106 IonicContact OE1-NE 3.86Å; E103-R106 PolarHBondContact OE1-NE 2.97Å; E103-R106 IonicContact OE1-NH2 3.24Å; E103-R106 PolarHBondContact OE1-NH2 3.11Å; E103-R106 IonicContact OE2-CZ 3.7Å; E103-R106 IonicContact OE2-NE 2.8Å; E103-R106 PolarHBondContact OE2-NE 3.13Å; E103-R106 VanDerWaalsContact OE2-NE 3.07Å; E103-R106 IonicContact OE2-NH2 2.8Å; D104-R106 PolarHBondContact O-N 3.33Å; R106-V108 PolarHBondContact O-N 2.95Å; R106-Q109 PolarHBondContact O-N 3.31Å; R106-V110 HydrophobicContact CG-CG2 4.22Å; R106-V110 WeakPolarHBondContact O-CB 3.32Å; R106-V110 WeakPolarHBondContact O-CG2 3.49Å; R106-V110 PolarHBondContact O-N 3.18Å; R106-F118 HydrophobicContact CB-CD1 4.32Å; R106-F118 HydrophobicContact CB-CE1 4.23Å; R106-F118 HydrophobicContact CG-CD1 3.86Å; R106-F118 HydrophobicContact CG-CE1 4.24Å; R106-F119 HydrophobicContact CB-CE2 4.15Å; R106-F119 WeakPolarHBondContact CD-O 3.27Å; R106-F119 HydrophobicContact CG-CD2 4.33Å; R106-F119 HydrophobicContact CG-CE2 4.3Å; R106-F119 WeakPolarHBondContact CG-O 3.16Å; R106-S121 PolarHBondContact NE-OG 3.36Å; R106-S121 PolarHBondContact NH2-OG 2.8Å; R106-I124 HydrophobicContact CB-CD1 4.49Å
107	K	86.2	Confident	84.3	Confident	105 Å²	105	50.5 Å²	50.5	46%	0.457	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-39.3	175.5	-76.2	174.2	-178.8	179.3	0	111.4	E103 D104 Y105 T111	E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.5Å; E103-K107 PolarHBondContact O-N 3.43Å; E103-K107 WeakPolarHBondContact OE1-CE 3.39Å; D104-K107 PolarHBondContact O-N 3.12Å; Y105-K107 PolarHBondContact O-N 3.18Å; K107-T111 WeakPolarHBondContact O-CB 3.42Å; K107-T111 PolarHBondContact O-N 3.26Å; K107-T111 PolarHBondContact O-OG1 2.91Å; K107-T111 VanDerWaalsContact O-OG1 3.07Å
108	V	81.6	Confident	84.3	Confident	14 Å²	14	51 Å²	51	9%	0.085	28%	0.281	C	S	.	.	I	π-helix	trans	-64.8	-47.8	177.3	174.8	0	0	0	0	111.7	D104 Y105 R106 Y112 S330	D104-V108 WeakPolarHBondContact O-CG2 3.44Å; D104-V108 PolarHBondContact O-N 3Å; D104-V108 VanDerWaalsContact O-N 3.11Å; Y105-V108 WeakPolarHBondContact O-CB 3.42Å; Y105-V108 PolarHBondContact O-N 3.34Å; Y105-V108 VanDerWaalsContact O-N 3.13Å; R106-V108 PolarHBondContact O-N 2.95Å; V108-Y112 WeakPolarHBondContact O-CB 3.44Å; V108-Y112 PolarHBondContact O-N 2.95Å; V108-S330 VanDerWaalsContact CG1-CB 3.49Å
109	Q	83.7	Confident	84.4	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.009	28%	0.281	C	S	.	.	I	π-helix	trans	-65.5	-47.5	179.9	-63.4	-55.1	-45.4	0	0	112.3	Y105 R106 R113 G114 D115 F118	Y105-Q109 HydrophobicContact CD1-CG 3.93Å; Y105-Q109 HydrophobicContact CE1-CG 3.52Å; Y105-Q109 VanDerWaalsContact CZ-NE2 3.29Å; Y105-Q109 WeakPolarHBondContact O-CG 3.45Å; Y105-Q109 PolarHBondContact O-N 2.81Å; Y105-Q109 PolarHBondContact OH-NE2 3Å; R106-Q109 PolarHBondContact O-N 3.31Å; Q109-R113 VanDerWaalsContact O-CB 3.32Å; Q109-R113 WeakPolarHBondContact O-CB 3.38Å; Q109-R113 PolarHBondContact O-N 3.49Å; Q109-R113 VanDerWaalsContact OE1-CD 3.24Å; Q109-G114 PolarHBondContact O-N 3.27Å; Q109-D115 HydrophobicContact CB-CB 4.47Å; Q109-D115 PolarHBondContact O-N 3.18Å; Q109-F118 HydrophobicContact CB-CD1 4.18Å; Q109-F118 HydrophobicContact CB-CE1 4.34Å; Q109-F118 HydrophobicContact CB-CG 4.4Å; Q109-F118 HydrophobicContact CG-CE1 4.21Å; Q109-F118 HydrophobicContact CG-CZ 4.22Å
110	V	84.8	Confident	84.4	Confident	48 Å²	48	52.5 Å²	52.5	29%	0.291	29%	0.289	S	S	.	.	I	π-helix	trans	-72.2	-50.8	-176.3	176.9	0	0	0	0	111.2	R106 G114 F118	R106-V110 HydrophobicContact CG-CG2 4.22Å; R106-V110 WeakPolarHBondContact O-CB 3.32Å; R106-V110 WeakPolarHBondContact O-CG2 3.49Å; R106-V110 PolarHBondContact O-N 3.18Å; V110-G114 WeakPolarHBondContact O-CA 3.31Å; V110-G114 PolarHBondContact O-N 3.14Å; V110-F118 HydrophobicContact CG2-CB 4.16Å
111	T	77.7	Confident	84.7	Confident	103 Å²	103	54 Å²	54	63%	0.632	30%	0.301	S	S	*	.	I	π-helix	trans	-76.1	-40.4	-171.3	-54.8	0	0	0	0	112.9	K107	K107-T111 WeakPolarHBondContact O-CB 3.42Å; K107-T111 PolarHBondContact O-N 3.26Å; K107-T111 PolarHBondContact O-OG1 2.91Å; K107-T111 VanDerWaalsContact O-OG1 3.07Å
112	Y	71.5	Confident	85.1	Confident	163 Å²	163	57.6 Å²	57.6	64%	0.639	32%	0.317	S	S	*	.	I	π-helix	trans	-97.4	-31.5	-172.5	-64.3	-89.6	0	0	0	113.3	V108	V108-Y112 WeakPolarHBondContact O-CB 3.44Å; V108-Y112 PolarHBondContact O-N 2.95Å
113	R	71.7	Confident	85.3	Confident	76 Å²	76	59.1 Å²	59.1	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-101.5	-10.7	-179.6	-66	175.5	166.2	-171.7	-7.8	113.6	N38 Q109 D115	N38-R113 VanDerWaalsContact OD1-CZ 3.25Å; N38-R113 PolarHBondContact OD1-NH1 3.09Å; N38-R113 PolarHBondContact OD1-NH2 3.22Å; N38-R113 VanDerWaalsContact OD1-NH2 3.16Å; Q109-R113 VanDerWaalsContact O-CB 3.32Å; Q109-R113 WeakPolarHBondContact O-CB 3.38Å; Q109-R113 PolarHBondContact O-N 3.49Å; Q109-R113 VanDerWaalsContact OE1-CD 3.24Å; R113-D115 PolarHBondContact O-N 3.16Å
114	G	75.6	Confident	85.7	Confident	56 Å²	56	57.4 Å²	57.4	58%	0.577	32%	0.317	S	S	*	.			trans	67.8	23.2	-179.5	0	0	0	0	0	113.4	Q109 V110 A116	Q109-G114 PolarHBondContact O-N 3.27Å; V110-G114 WeakPolarHBondContact O-CA 3.31Å; V110-G114 PolarHBondContact O-N 3.14Å; G114-A116 VanDerWaalsContact C-N 3.31Å; G114-A116 PolarHBondContact O-N 2.94Å
115	D	79.4	Confident	86.3	Confident	37 Å²	37	60 Å²	60	20%	0.198	33%	0.325	C	S	.	.			trans	-73.7	86.1	176.6	-167.8	-3.8	0	0	0	109.3	R42 Q109 R113 N117	R42-D115 IonicContact CZ-OD2 2.91Å; R42-D115 IonicContact NH1-OD2 3.7Å; R42-D115 PolarHBondContact NH1-OD2 3.09Å; R42-D115 IonicContact NH2-OD2 3.57Å; R42-D115 PolarHBondContact NH2-OD2 3.27Å; Q109-D115 HydrophobicContact CB-CB 4.47Å; Q109-D115 PolarHBondContact O-N 3.18Å; R113-D115 PolarHBondContact O-N 3.16Å; D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 PolarHBondContact O-N 3.36Å
116	A	75.5	Confident	86.8	Confident	97 Å²	97	63.1 Å²	63.1	80%	0.802	34%	0.339	S	S	*	.			trans	-71.5	-23.4	-176.7	0	0	0	0	0	112.8	G114 F118	G114-A116 VanDerWaalsContact C-N 3.31Å; G114-A116 PolarHBondContact O-N 2.94Å; A116-F118 PolarHBondContact O-N 3.3Å
117	N	82.9	Confident	87.1	Confident	126 Å²	126	61.2 Å²	61.2	67%	0.674	33%	0.332	S	S	*	.	S	Bend	trans	-92.7	46.1	-179.9	-166.8	28.4	0	0	0	111.7	D115	D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 PolarHBondContact O-N 3.36Å
118	F	88.8	Confident	87.7	Confident	14 Å²	14	57.2 Å²	57.2	6%	0.061	32%	0.315	C	S	.	.	S	Bend	trans	-115.1	154.5	179.2	-155	-111.3	0	0	0	110.1	M33 F43 Y105 R106 Q109 V110 A116	M33-F118 HydrophobicContact CE-CZ 4.46Å; M33-F118 HydrophobicContact SD-CZ 4.18Å; F43-F118 AromaticContact CZ-CE2 3.86Å; F43-F118 HydrophobicContact CZ-CE2 3.86Å; Y105-F118 HydrophobicContact CD1-CE1 4.07Å; Y105-F118 AromaticContact CD1-CZ 3.89Å; Y105-F118 HydrophobicContact CD1-CZ 3.89Å; Y105-F118 HydrophobicContact CE1-CE1 4.27Å; Y105-F118 HydrophobicContact CE1-CE2 4.49Å; Y105-F118 AromaticContact CE1-CZ 3.68Å; Y105-F118 HydrophobicContact CE1-CZ 3.68Å; R106-F118 HydrophobicContact CB-CD1 4.32Å; R106-F118 HydrophobicContact CB-CE1 4.23Å; R106-F118 HydrophobicContact CG-CD1 3.86Å; R106-F118 HydrophobicContact CG-CE1 4.24Å; Q109-F118 HydrophobicContact CB-CD1 4.18Å; Q109-F118 HydrophobicContact CB-CE1 4.34Å; Q109-F118 HydrophobicContact CB-CG 4.4Å; Q109-F118 HydrophobicContact CG-CE1 4.21Å; Q109-F118 HydrophobicContact CG-CZ 4.22Å; V110-F118 HydrophobicContact CG2-CB 4.16Å; A116-F118 PolarHBondContact O-N 3.3Å
119	F	93.8	Very high	88.4	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	34%	0.342	C	S	.	.			trans	-59.4	144	-177.9	54.3	-105.9	0	0	0	111.9	P76 M81 L102 R106 M123 I124	P76-F119 HydrophobicContact CB-CB 3.93Å; P76-F119 HydrophobicContact CB-CD1 3.97Å; P76-F119 HydrophobicContact CB-CD2 3.86Å; P76-F119 HydrophobicContact CB-CE1 4.42Å; P76-F119 HydrophobicContact CB-CE2 4.34Å; P76-F119 HydrophobicContact CB-CG 3.66Å; P76-F119 HydrophobicContact CG-CD1 4.38Å; P76-F119 HydrophobicContact CG-CD2 4.02Å; P76-F119 HydrophobicContact CG-CE1 4.35Å; P76-F119 HydrophobicContact CG-CE2 4.01Å; P76-F119 HydrophobicContact CG-CG 4.22Å; P76-F119 HydrophobicContact CG-CZ 4.17Å; M81-F119 HydrophobicContact SD-CB 4.33Å; L102-F119 HydrophobicContact CB-CE2 4.45Å; L102-F119 HydrophobicContact CD2-CE2 4.32Å; L102-F119 HydrophobicContact CD2-CZ 3.87Å; R106-F119 HydrophobicContact CB-CE2 4.15Å; R106-F119 WeakPolarHBondContact CD-O 3.27Å; R106-F119 HydrophobicContact CG-CD2 4.33Å; R106-F119 HydrophobicContact CG-CE2 4.3Å; R106-F119 WeakPolarHBondContact CG-O 3.16Å; F119-M123 HydrophobicContact CB-CB 4.28Å; F119-M123 HydrophobicContact CB-CE 3.74Å; F119-M123 HydrophobicContact CB-SD 4.06Å; F119-I124 HydrophobicContact CD2-CD1 4.06Å; F119-I124 HydrophobicContact CD2-CG1 3.77Å; F119-I124 HydrophobicContact CE2-CD1 3.86Å; F119-I124 HydrophobicContact CE2-CG1 3.86Å
120	T	94.8	Very high	89	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	35%	0.351	S	S	.	.			trans	-87.3	166.6	-176.2	69	0	0	0	0	112.3	Q122 M123 I124	T120-Q122 PolarHBondContact O-N 2.62Å; T120-Q122 PolarHBondContact OG1-N 2.78Å; T120-M123 HydrophobicContact CG2-SD 4.03Å; T120-M123 PolarHBondContact N-SD 3.23Å; T120-M123 WeakPolarHBondContact O-CB 3.36Å; T120-M123 PolarHBondContact O-N 2.78Å; T120-M123 VanDerWaalsContact O-N 3.16Å; T120-M123 WeakPolarHBondContact OG1-CG 3.19Å; T120-M123 PolarHBondContact OG1-N 3.39Å; T120-M123 PolarHBondContact OG1-SD 3.12Å; T120-I124 PolarHBondContact O-N 3.18Å; T120-I124 VanDerWaalsContact O-N 3.11Å
121	S	95.2	Very high	89.6	Confident	52 Å²	52	63.2 Å²	63.2	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-31.9	171.7	-57.6	0	0	0	0	112.5	E103 R106 I124 K125	E103-S121 VanDerWaalsContact CD-OG 3.24Å; E103-S121 PolarHBondContact OE1-OG 2.83Å; E103-S121 WeakPolarHBondContact OE2-CB 3.45Å; E103-S121 PolarHBondContact OE2-OG 3.26Å; R106-S121 PolarHBondContact NE-OG 3.36Å; R106-S121 PolarHBondContact NH2-OG 2.8Å; S121-I124 PolarHBondContact O-N 3.39Å; S121-K125 PolarHBondContact O-N 2.88Å
122	Q	96.8	Very high	90.3	Very high	97 Å²	97	61.9 Å²	61.9	45%	0.453	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-41.7	176.2	-177.8	57.9	26.3	0	0	111	T120 I124 K125 E126	T120-Q122 PolarHBondContact O-N 2.62Å; T120-Q122 PolarHBondContact OG1-N 2.78Å; Q122-I124 VanDerWaalsContact C-N 3.35Å; Q122-I124 PolarHBondContact O-N 2.84Å; Q122-K125 WeakPolarHBondContact O-CB 3.21Å; Q122-K125 PolarHBondContact O-N 2.74Å; Q122-K125 VanDerWaalsContact O-N 3.12Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.49Å; Q122-E126 PolarHBondContact NE2-OE1 3.16Å; Q122-E126 WeakPolarHBondContact O-CG 3.44Å; Q122-E126 PolarHBondContact O-N 3.26Å
123	M	98	Very high	91.1	Very high	31 Å²	31	56.6 Å²	56.6	15%	0.153	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-37.3	176	-68.4	160.1	76.4	0	0	112.4	E80 M81 F119 T120 K125 E126 C127	E80-M123 HydrophobicContact CB-CB 4Å; E80-M123 HydrophobicContact CB-CE 3.54Å; E80-M123 HydrophobicContact CB-CG 3.86Å; E80-M123 HydrophobicContact CG-CB 3.66Å; E80-M123 HydrophobicContact CG-CE 4.45Å; E80-M123 HydrophobicContact CG-CG 3.98Å; M81-M123 HydrophobicContact CB-CE 4.5Å; M81-M123 HydrophobicContact CG-CE 3.17Å; M81-M123 HydrophobicContact SD-CE 3.89Å; F119-M123 HydrophobicContact CB-CB 4.28Å; F119-M123 HydrophobicContact CB-CE 3.74Å; F119-M123 HydrophobicContact CB-SD 4.06Å; T120-M123 HydrophobicContact CG2-SD 4.03Å; T120-M123 PolarHBondContact N-SD 3.23Å; T120-M123 WeakPolarHBondContact O-CB 3.36Å; T120-M123 PolarHBondContact O-N 2.78Å; T120-M123 VanDerWaalsContact O-N 3.16Å; T120-M123 WeakPolarHBondContact OG1-CG 3.19Å; T120-M123 PolarHBondContact OG1-N 3.39Å; T120-M123 PolarHBondContact OG1-SD 3.12Å; M123-K125 VanDerWaalsContact C-N 3.31Å; M123-K125 PolarHBondContact O-N 2.92Å; M123-E126 PolarHBondContact O-N 3.43Å; M123-C127 VanDerWaalsContact O-CB 3.22Å; M123-C127 WeakPolarHBondContact O-CB 3.4Å; M123-C127 PolarHBondContact O-N 2.81Å
124	I	97.8	Very high	91.7	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-44.7	172.6	-63.2	168.5	0	0	0	110.2	P76 P99 L102 E103 R106 F119 T120 S121 Q122 C127 M128	P76-I124 HydrophobicContact CB-CG1 4.47Å; P76-I124 HydrophobicContact CG-CG1 4.02Å; P99-I124 HydrophobicContact CB-CG2 3.96Å; L102-I124 HydrophobicContact CB-CD1 3.82Å; L102-I124 HydrophobicContact CB-CG1 4.16Å; L102-I124 HydrophobicContact CB-CG2 4.24Å; L102-I124 HydrophobicContact CD1-CG2 4.12Å; E103-I124 HydrophobicContact CB-CD1 4.31Å; R106-I124 HydrophobicContact CB-CD1 4.49Å; F119-I124 HydrophobicContact CD2-CD1 4.06Å; F119-I124 HydrophobicContact CD2-CG1 3.77Å; F119-I124 HydrophobicContact CE2-CD1 3.86Å; F119-I124 HydrophobicContact CE2-CG1 3.86Å; T120-I124 PolarHBondContact O-N 3.18Å; T120-I124 VanDerWaalsContact O-N 3.11Å; S121-I124 PolarHBondContact O-N 3.39Å; Q122-I124 VanDerWaalsContact C-N 3.35Å; Q122-I124 PolarHBondContact O-N 2.84Å; I124-C127 WeakPolarHBondContact O-CB 3.44Å; I124-C127 PolarHBondContact O-N 3.19Å; I124-M128 WeakPolarHBondContact O-CG 3.2Å; I124-M128 PolarHBondContact O-N 3.31Å
125	K	97.7	Very high	91.7	Very high	119 Å²	119	51.5 Å²	51.5	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-45.5	179.4	-174.1	-178.3	176	-174.6	0	111.7	S121 Q122 M123 C127 M128 H129	S121-K125 PolarHBondContact O-N 2.88Å; Q122-K125 WeakPolarHBondContact O-CB 3.21Å; Q122-K125 PolarHBondContact O-N 2.74Å; Q122-K125 VanDerWaalsContact O-N 3.12Å; M123-K125 VanDerWaalsContact C-N 3.31Å; M123-K125 PolarHBondContact O-N 2.92Å; K125-C127 VanDerWaalsContact C-N 3.34Å; K125-C127 PolarHBondContact O-N 3.02Å; K125-M128 PolarHBondContact O-N 3.49Å; K125-H129 PolarHBondContact O-CD2 2.79Å; K125-H129 VanDerWaalsContact O-CD2 3.25Å; K125-H129 PolarHBondContact O-N 3.34Å
126	E	98.1	Very high	91.4	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-38.2	176.6	-73.3	165.7	-176.9	0	0	112.6	Q122 M123 H129 K130	Q122-E126 WeakPolarHBondContact CG-OE1 3.49Å; Q122-E126 PolarHBondContact NE2-OE1 3.16Å; Q122-E126 WeakPolarHBondContact O-CG 3.44Å; Q122-E126 PolarHBondContact O-N 3.26Å; M123-E126 PolarHBondContact O-N 3.43Å; E126-H129 PolarHBondContact O-N 3.03Å; E126-K130 PolarHBondContact O-NZ 3Å
127	C	98.1	Very high	91.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-46.7	171.7	-175.6	0	0	0	0	110.7	P76 T79 E80 M123 I124 K125 H129 K130	P76-C127 HydrophobicContact CB-CB 4.45Å; P76-C127 HydrophobicContact CG-CB 4.48Å; T79-C127 WeakPolarHBondContact OG1-CB 3.49Å; T79-C127 PolarHBondContact OG1-SG 3.29Å; T79-C127 VanDerWaalsContact OG1-SG 3.37Å; E80-C127 WeakPolarHBondContact OE1-CA 3.26Å; E80-C127 PolarHBondContact OE1-N 2.68Å; M123-C127 VanDerWaalsContact O-CB 3.22Å; M123-C127 WeakPolarHBondContact O-CB 3.4Å; M123-C127 PolarHBondContact O-N 2.81Å; I124-C127 WeakPolarHBondContact O-CB 3.44Å; I124-C127 PolarHBondContact O-N 3.19Å; K125-C127 VanDerWaalsContact C-N 3.34Å; K125-C127 PolarHBondContact O-N 3.02Å; C127-H129 VanDerWaalsContact C-N 3.27Å; C127-H129 PolarHBondContact O-N 3.17Å; C127-K130 WeakPolarHBondContact O-CB 3.36Å; C127-K130 PolarHBondContact O-N 3.07Å; C127-K130 VanDerWaalsContact O-N 3.09Å
128	M	97.6	Very high	90.5	Very high	20 Å²	20	51.3 Å²	51.3	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-23.3	179.9	-67.8	-53.1	97.6	0	0	113.9	V98 P99 I124 K125 K130 V131	V98-M128 HydrophobicContact CB-SD 4.2Å; V98-M128 HydrophobicContact CG1-CE 3.59Å; V98-M128 HydrophobicContact CG1-SD 3.82Å; P99-M128 HydrophobicContact CB-CG 4.02Å; P99-M128 HydrophobicContact CG-CG 4.26Å; P99-M128 HydrophobicContact CG-SD 4.46Å; I124-M128 WeakPolarHBondContact O-CG 3.2Å; I124-M128 PolarHBondContact O-N 3.31Å; K125-M128 PolarHBondContact O-N 3.49Å; M128-K130 PolarHBondContact O-N 2.68Å; M128-V131 HydrophobicContact CE-CG2 4.07Å; M128-V131 WeakPolarHBondContact O-CB 3.18Å; M128-V131 PolarHBondContact O-N 3.4Å; M128-V131 HydrophobicContact SD-CG2 4.09Å
129	H	97.3	Very high	89.6	Confident	140 Å²	140	53 Å²	53	65%	0.648	28%	0.275	S	S	*	.	H	α-helix	trans	-66.8	-23.7	172.6	-73.4	-45.8	0	0	0	113.1	K125 E126 C127 V131	K125-H129 PolarHBondContact O-CD2 2.79Å; K125-H129 VanDerWaalsContact O-CD2 3.25Å; K125-H129 PolarHBondContact O-N 3.34Å; E126-H129 PolarHBondContact O-N 3.03Å; C127-H129 VanDerWaalsContact C-N 3.27Å; C127-H129 PolarHBondContact O-N 3.17Å; H129-V131 VanDerWaalsContact C-N 3.28Å
130	K	96.8	Very high	88.4	Confident	44 Å²	44	54 Å²	54	19%	0.191	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.1	176.1	-55.6	175.7	179.7	75.8	0	113	T79 E80 Y84 I88 E126 C127 M128	T79-K130 HydrophobicContact CG2-CD 4.32Å; E80-K130 IonicContact OE1-NZ 3.49Å; E80-K130 PolarHBondContact OE1-NZ 2.82Å; E80-K130 IonicContact OE2-NZ 3.81Å; E80-K130 PolarHBondContact OE2-NZ 3Å; Y84-K130 VanDerWaalsContact O-CE 3.24Å; Y84-K130 WeakPolarHBondContact O-CE 3.45Å; I88-K130 HydrophobicContact CD1-CB 4.06Å; I88-K130 HydrophobicContact CG1-CB 4.31Å; I88-K130 PolarHBondContact N-O 2.7Å; I88-K130 VanDerWaalsContact N-O 3.09Å; E126-K130 PolarHBondContact O-NZ 3Å; C127-K130 WeakPolarHBondContact O-CB 3.36Å; C127-K130 PolarHBondContact O-N 3.07Å; C127-K130 VanDerWaalsContact O-N 3.09Å; M128-K130 PolarHBondContact O-N 2.68Å
131	V	95.8	Very high	87.2	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.1	-172.6	-178.8	0	0	0	0	112.4	I88 M90 K95 M128 H129	I88-V131 HydrophobicContact CB-CG2 4.14Å; I88-V131 HydrophobicContact CG2-CG2 4.28Å; I88-V131 CarbonylContact O-C 3.55Å; I88-V131 VanDerWaalsContact O-CA 3.28Å; I88-V131 WeakPolarHBondContact O-CA 3.28Å; M90-V131 HydrophobicContact CE-CB 4.36Å; M90-V131 HydrophobicContact CE-CG1 3.72Å; M90-V131 HydrophobicContact CE-CG2 3.63Å; M90-V131 HydrophobicContact CG-CG1 3.51Å; M90-V131 HydrophobicContact SD-CG1 3.66Å; M90-V131 HydrophobicContact SD-CG2 4.33Å; K95-V131 HydrophobicContact CB-CG1 4.15Å; K95-V131 HydrophobicContact CD-CB 4.23Å; K95-V131 HydrophobicContact CD-CG1 3.74Å; K95-V131 HydrophobicContact CG-CB 4.41Å; K95-V131 HydrophobicContact CG-CG1 3.86Å; K95-V131 PolarHBondContact NZ-O 3.4Å; M128-V131 HydrophobicContact CE-CG2 4.07Å; M128-V131 WeakPolarHBondContact O-CB 3.18Å; M128-V131 PolarHBondContact O-N 3.4Å; M128-V131 HydrophobicContact SD-CG2 4.09Å; H129-V131 VanDerWaalsContact C-N 3.28Å
132	I	92.5	Very high	85.7	Confident	75 Å²	75	55.4 Å²	55.4	39%	0.385	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.2	170.3	-56.5	172.6	0	0	0	108.1	P87 I88 Y89 M90	P87-I132 HydrophobicContact CB-CD1 3.83Å; I88-I132 PolarHBondContact O-N 3.48Å; Y89-I132 HydrophobicContact CD1-CB 3.84Å; Y89-I132 HydrophobicContact CD1-CG2 4.05Å; Y89-I132 HydrophobicContact CE1-CB 3.74Å; Y89-I132 HydrophobicContact CE1-CD1 3.73Å; Y89-I132 HydrophobicContact CE1-CG1 4.3Å; Y89-I132 HydrophobicContact CE1-CG2 3.77Å; M90-I132 PolarHBondContact N-O 2.77Å
133	P	89.6	Confident	83.9	Confident	53 Å²	53	59.9 Å²	59.9	34%	0.344	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	145.5	180	30.7	-32.7	0	0	0	110.9	M90 K95	M90-P133 CarbonylContact O-C 3.31Å; M90-P133 WeakPolarHBondContact O-CA 3.36Å; K95-P133 HydrophobicContact CD-CB 3.96Å; K95-P133 HydrophobicContact CD-CG 4.24Å
134	V	82.9	Confident	81.5	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.2	179.3	-172.1	0	0	0	0	110.1	Y89 M90 T91 C92 E138 V140 A149	Y89-V134 HydrophobicContact CD1-CG2 3.98Å; M90-V134 PolarHBondContact O-N 3.36Å; T91-V134 WeakPolarHBondContact CA-O 3.44Å; C92-V134 PolarHBondContact N-O 3.14Å; V134-E138 HydrophobicContact CG1-CB 3.81Å; V134-E138 HydrophobicContact CG1-CG 4.21Å; V134-V140 HydrophobicContact CG1-CG2 3.88Å; V134-V140 HydrophobicContact CG2-CG2 3.92Å; V134-A149 HydrophobicContact CG1-CB 4.14Å
135	G	77.3	Confident	79.1	Confident	19 Å²	19	66.5 Å²	66.5	20%	0.196	32%	0.323	C	S	.	.			trans	-78.8	167.1	176.6	0	0	0	0	0	113.9	H137 E138	G135-H137 PolarHBondContact O-N 3.19Å; G135-E138 PolarHBondContact N-OE2 3.34Å; G135-E138 WeakPolarHBondContact O-CB 3.46Å; G135-E138 PolarHBondContact O-N 2.93Å
136	L	72	Confident	76.8	Confident	59 Å²	59	62.7 Å²	62.7	31%	0.309	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131.5	169.9	-72.6	171.9	0	0	0	110	E138 C151 W285	L136-E138 PolarHBondContact O-N 3.07Å; L136-E138 VanDerWaalsContact O-N 3.11Å; L136-C151 HydrophobicContact CD2-CB 3.5Å; L136-W285 HydrophobicContact CB-CH2 4.45Å; L136-W285 HydrophobicContact CD1-CD2 3.72Å; L136-W285 HydrophobicContact CD1-CE3 3.82Å; L136-W285 HydrophobicContact CD1-CG 4.18Å; L136-W285 HydrophobicContact CD1-CH2 4.44Å; L136-W285 HydrophobicContact CD1-CZ2 4.35Å; L136-W285 HydrophobicContact CD1-CZ3 4.2Å; L136-W285 HydrophobicContact CD2-CD2 4.21Å; L136-W285 HydrophobicContact CD2-CE3 3.45Å; L136-W285 VanDerWaalsContact CD2-CE3 3.45Å; L136-W285 HydrophobicContact CD2-CH2 3.68Å; L136-W285 HydrophobicContact CD2-CZ2 4.38Å; L136-W285 HydrophobicContact CD2-CZ3 3.16Å; L136-W285 HydrophobicContact CG-CD2 3.85Å; L136-W285 HydrophobicContact CG-CE3 3.6Å; L136-W285 HydrophobicContact CG-CH2 3.5Å; L136-W285 HydrophobicContact CG-CZ2 3.73Å; L136-W285 HydrophobicContact CG-CZ3 3.45Å; L136-W285 VanDerWaalsContact CG-CZ3 3.45Å
137	H	68.5	Low	74.6	Confident	107 Å²	107	59.9 Å²	59.9	50%	0.495	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	9.9	-179.7	-45.8	-70.4	0	0	0	115.7	G135	G135-H137 PolarHBondContact O-N 3.19Å
138	E	70.3	Confident	72.3	Confident	90 Å²	90	61.3 Å²	61.3	42%	0.421	30%	0.302	S	S	.	.			trans	-72.9	143.9	175.9	-172.8	-178.6	169.1	0	0	110.9	V134 G135 L136 V140 A149	V134-E138 HydrophobicContact CG1-CB 3.81Å; V134-E138 HydrophobicContact CG1-CG 4.21Å; G135-E138 PolarHBondContact N-OE2 3.34Å; G135-E138 WeakPolarHBondContact O-CB 3.46Å; G135-E138 PolarHBondContact O-N 2.93Å; L136-E138 PolarHBondContact O-N 3.07Å; L136-E138 VanDerWaalsContact O-N 3.11Å; E138-V140 HydrophobicContact CG-CG2 4.42Å; E138-A149 CarbonylContact O-C 3.57Å
139	S	70.4	Confident	69.9	Low	50 Å²	50	60.8 Å²	60.8	35%	0.35	30%	0.301	S	S	.	.			trans	-115.6	118.8	178.6	-48.7	0	0	0	0	109.2	Q148	S139-Q148 VanDerWaalsContact OG-CG 3.29Å; S139-Q148 WeakPolarHBondContact OG-CG 3.21Å; S139-Q148 PolarHBondContact OG-NE2 3.17Å
140	V	69.7	Low	67.6	Low	23 Å²	23	58.4 Å²	58.4	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.9	-175.5	-176.6	0	0	0	0	109.8	Y89 V134 E138 V142 L147	Y89-V140 HydrophobicContact CD1-CG1 4.26Å; Y89-V140 HydrophobicContact CE1-CG1 3.65Å; V134-V140 HydrophobicContact CG1-CG2 3.88Å; V134-V140 HydrophobicContact CG2-CG2 3.92Å; E138-V140 HydrophobicContact CG-CG2 4.42Å; V140-V142 HydrophobicContact CG1-CG2 4.23Å; V140-L147 CarbonylContact C-O 3.55Å; V140-L147 PolarHBondContact N-O 3.09Å; V140-L147 CarbonylContact O-C 3.57Å; V140-L147 VanDerWaalsContact O-C 3.31Å; V140-L147 WeakPolarHBondContact O-CA 3.37Å; V140-L147 PolarHBondContact O-N 3.29Å
141	K	68.1	Low	65.2	Low	137 Å²	137	56.4 Å²	56.4	60%	0.596	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.2	174.3	-167.8	176.2	-178.3	179.7	0	109.9	T145 L146	K141-T145 CarbonylContact C-O 3.59Å; K141-L146 HydrophobicContact CB-CD1 4.12Å; K141-L146 HydrophobicContact CD-CD1 4.31Å; K141-L146 HydrophobicContact CG-CD1 4.15Å
142	V	65.5	Low	63.2	Low	11 Å²	11	57.7 Å²	57.7	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.3	177.7	-178.2	0	0	0	0	109.4	C61 Y89 V140 M144 T145 L147	C61-V142 HydrophobicContact CB-CG1 4.14Å; Y89-V142 HydrophobicContact CD2-CG2 4.48Å; Y89-V142 HydrophobicContact CE1-CG2 4.45Å; Y89-V142 HydrophobicContact CE2-CG2 3.62Å; Y89-V142 WeakPolarHBondContact OH-CG2 2.99Å; V140-V142 HydrophobicContact CG1-CG2 4.23Å; V142-M144 VanDerWaalsContact C-N 3.27Å; V142-M144 PolarHBondContact O-N 3.31Å; V142-T145 PolarHBondContact N-O 3.38Å; V142-T145 PolarHBondContact O-N 3.35Å; V142-L147 HydrophobicContact CB-CD1 3.86Å; V142-L147 HydrophobicContact CG1-CD1 4.44Å; V142-L147 HydrophobicContact CG2-CB 4.29Å; V142-L147 HydrophobicContact CG2-CD1 3.56Å; V142-L147 HydrophobicContact CG2-CG 4.32Å
143	R	57.6	Low	61.1	Low	191 Å²	191	55 Å²	55	72%	0.721	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.2	54.9	174.4	-69.3	-172.9	173.9	160.4	-1.2	114.2	R25	R25-R143 PolarHBondContact NE-O 3Å
144	M	48.2	Very low	59.3	Low	145 Å²	145	52.5 Å²	52.5	71%	0.714	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-7.9	178.4	-53.8	-172.1	58	0	0	118.5	V142	V142-M144 VanDerWaalsContact C-N 3.27Å; V142-M144 PolarHBondContact O-N 3.31Å
145	T	47.9	Very low	57.7	Low	30 Å²	30	52.5 Å²	52.5	18%	0.184	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.5	169	-48.8	0	0	0	0	108.7	K141 V142 L147	K141-T145 CarbonylContact C-O 3.59Å; V142-T145 PolarHBondContact N-O 3.38Å; V142-T145 PolarHBondContact O-N 3.35Å; T145-L147 PolarHBondContact O-N 3.21Å
146	L	49.8	Very low	56.5	Low	39 Å²	39	51.6 Å²	51.6	20%	0.204	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.7	161.7	-114.8	80	0	0	0	105.9	K141 Q148 R165 L167	K141-L146 HydrophobicContact CB-CD1 4.12Å; K141-L146 HydrophobicContact CD-CD1 4.31Å; K141-L146 HydrophobicContact CG-CD1 4.15Å; L146-Q148 HydrophobicContact CD2-CB 4.26Å; L146-R165 CarbonylContact O-C 3.57Å; L146-L167 HydrophobicContact CB-CD1 3.67Å; L146-L167 HydrophobicContact CB-CD2 3.73Å; L146-L167 HydrophobicContact CB-CG 3.49Å; L146-L167 VanDerWaalsContact CB-CG 3.49Å; L146-L167 HydrophobicContact CD1-CD1 3.22Å; L146-L167 HydrophobicContact CD1-CD2 3.87Å; L146-L167 HydrophobicContact CD1-CG 3.9Å; L146-L167 HydrophobicContact CD2-CD2 4.21Å; L146-L167 HydrophobicContact CG-CD1 3.95Å; L146-L167 HydrophobicContact CG-CD2 4.1Å; L146-L167 HydrophobicContact CG-CG 4.17Å
147	L	51.3	Low	55.4	Low	13 Å²	13	48.8 Å²	48.8	7%	0.068	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	94.1	156	-78.1	167	0	0	0	106.6	V27 C61 I63 V140 V142 T145 A149 T164	V27-L147 HydrophobicContact CG2-CD1 4.48Å; C61-L147 WeakPolarHBondContact SG-CD1 3.28Å; I63-L147 HydrophobicContact CD1-CD1 3.71Å; I63-L147 HydrophobicContact CD1-CD2 3.57Å; I63-L147 HydrophobicContact CD1-CG 4.15Å; I63-L147 HydrophobicContact CG1-CD1 4.46Å; V140-L147 CarbonylContact C-O 3.55Å; V140-L147 PolarHBondContact N-O 3.09Å; V140-L147 CarbonylContact O-C 3.57Å; V140-L147 VanDerWaalsContact O-C 3.31Å; V140-L147 WeakPolarHBondContact O-CA 3.37Å; V140-L147 PolarHBondContact O-N 3.29Å; V142-L147 HydrophobicContact CB-CD1 3.86Å; V142-L147 HydrophobicContact CG1-CD1 4.44Å; V142-L147 HydrophobicContact CG2-CB 4.29Å; V142-L147 HydrophobicContact CG2-CD1 3.56Å; V142-L147 HydrophobicContact CG2-CG 4.32Å; T145-L147 PolarHBondContact O-N 3.21Å; L147-A149 PolarHBondContact O-N 3.28Å; L147-A149 VanDerWaalsContact O-N 3.16Å; L147-T164 HydrophobicContact CD2-CG2 3.5Å; L147-T164 VanDerWaalsContact CD2-CG2 3.5Å
148	Q	48.4	Very low	54.4	Low	30 Å²	30	43.7 Å²	43.7	14%	0.14	21%	0.206	C	C	.	.			trans	-86.7	79.4	-179.3	-172.2	158.3	42.7	0	0	110.9	S139 L146 R150 F163	S139-Q148 VanDerWaalsContact OG-CG 3.29Å; S139-Q148 WeakPolarHBondContact OG-CG 3.21Å; S139-Q148 PolarHBondContact OG-NE2 3.17Å; L146-Q148 HydrophobicContact CD2-CB 4.26Å; Q148-R150 VanDerWaalsContact C-N 3.31Å; Q148-R150 HydrophobicContact CG-CG 4.3Å; Q148-R150 PolarHBondContact O-N 3.4Å; Q148-F163 CarbonylContact C-O 3.58Å; Q148-F163 CarbonylContact O-C 3.6Å
149	A	47.6	Very low	53.7	Low	10 Å²	10	39.4 Å²	39.4	8%	0.083	19%	0.186	C	C	.	.			trans	-69.7	80.8	178.9	0	0	0	0	0	112.3	V134 E138 L147 C151 L162	V134-A149 HydrophobicContact CG1-CB 4.14Å; E138-A149 CarbonylContact O-C 3.57Å; L147-A149 PolarHBondContact O-N 3.28Å; L147-A149 VanDerWaalsContact O-N 3.16Å; A149-C151 PolarHBondContact O-N 2.65Å; A149-L162 HydrophobicContact CB-CD2 3.87Å
150	R	48.9	Very low	52.7	Low	90 Å²	90	37 Å²	37	34%	0.34	17%	0.17	S	C	.	.			trans	-79.8	97.5	168.9	-78.5	-175.2	-179.7	-170.3	1.4	110.4	Q148 Y152 F163 D193	Q148-R150 VanDerWaalsContact C-N 3.31Å; Q148-R150 HydrophobicContact CG-CG 4.3Å; Q148-R150 PolarHBondContact O-N 3.4Å; R150-Y152 HydrophobicContact CB-CD2 4.42Å; R150-Y152 HydrophobicContact CB-CE2 3.78Å; R150-Y152 WeakPolarHBondContact O-CD2 3.36Å; R150-F163 HydrophobicContact CB-CB 4.25Å; R150-D193 IonicContact NH1-OD2 3.34Å; R150-D193 PolarHBondContact NH1-OD2 3.18Å
151	C	47.9	Very low	51.8	Low	2 Å²	2	36 Å²	36	1%	0.014	16%	0.163	C	C	.	.			trans	-76.5	118.8	178.4	-60.2	0	0	0	0	111.5	T91 L136 A149 S160	T91-C151 WeakPolarHBondContact CG2-SG 3.39Å; L136-C151 HydrophobicContact CD2-CB 3.5Å; A149-C151 PolarHBondContact O-N 2.65Å; C151-S160 VanDerWaalsContact CB-CB 3.47Å; C151-S160 WeakPolarHBondContact SG-CB 3.26Å
152	Y	52.3	Low	51	Low	32 Å²	32	29.9 Å²	29.9	13%	0.125	14%	0.137	C	C	.	.			trans	-115.8	106.2	166.1	-60.2	-90.8	0	0	0	108.6	R150 E191 D193	R150-Y152 HydrophobicContact CB-CD2 4.42Å; R150-Y152 HydrophobicContact CB-CE2 3.78Å; R150-Y152 WeakPolarHBondContact O-CD2 3.36Å; Y152-E191 WeakPolarHBondContact CB-O 3.11Å; Y152-E191 HydrophobicContact CD1-CB 3.84Å; Y152-E191 WeakPolarHBondContact CD1-O 3.4Å; Y152-E191 VanDerWaalsContact CD2-O 3.27Å; Y152-E191 WeakPolarHBondContact CD2-O 3.5Å; Y152-E191 HydrophobicContact CE1-CB 4.41Å; Y152-D193 PolarHBondContact OH-OD2 3.14Å
153	C	48.9	Very low	50.2	Low	19 Å²	19	30.5 Å²	30.5	13%	0.128	14%	0.139	C	C	.	.			trans	-62.1	139.6	-176.2	-84	0	0	0	0	112.1	Q159 A189	C153-Q159 WeakPolarHBondContact CA-O 3.3Å; C153-A189 CarbonylContact O-C 3.59Å
154	S	51.8	Low	49.6	Very low	1 Å²	1	21.9 Å²	21.9	1%	0.007	11%	0.108	C	C	.	.			trans	-156.4	-28.8	169.7	61.3	0	0	0	0	119.6	F179 N180	S154-F179 WeakPolarHBondContact OG-CA 3.2Å; S154-F179 WeakPolarHBondContact OG-CB 3.39Å; S154-N180 VanDerWaalsContact CB-N 3.33Å; S154-N180 VanDerWaalsContact CB-O 3.25Å; S154-N180 WeakPolarHBondContact CB-O 3.48Å; S154-N180 VanDerWaalsContact O-CB 3.25Å; S154-N180 WeakPolarHBondContact O-CB 3.4Å; S154-N180 PolarHBondContact OG-N 2.77Å
155	C	49.2	Very low	49.6	Very low	4 Å²	4	19.2 Å²	19.2	3%	0.027	9%	0.09	C	C	.	.	S	Bend	trans	-119.8	-6.8	-174.7	153	0	0	0	0	114	Q159 N180 A391	C155-Q159 PolarHBondContact SG-NE2 2.97Å; C155-N180 HydrophobicContact CB-CB 4.36Å; C155-A391 HydrophobicContact CB-CB 3.75Å; C155-A391 WeakPolarHBondContact CB-O 3.38Å; C155-A391 WeakPolarHBondContact O-CB 3.06Å; C155-A391 WeakPolarHBondContact SG-CB 3.47Å
156	G	52.7	Low	49.4	Very low	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-164.1	162.9	169.5	0	0	0	0	0	113.8	G158 Q159	G156-G158 PolarHBondContact O-N 3.07Å; G156-Q159 WeakPolarHBondContact O-CB 3.39Å; G156-Q159 PolarHBondContact O-N 2.81Å
157	L	48.9	Very low	48.8	Very low	1 Å²	1	20 Å²	20	1%	0.005	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	105.4	-179.5	-176.7	80.9	0	0	0	110.9	F67 Q159 L187 Y279 F282 W285 T286	F67-L157 VanDerWaalsContact CE1-O 3.22Å; F67-L157 WeakPolarHBondContact CE1-O 3.35Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-L187 HydrophobicContact CD1-CD2 4.29Å; L157-Y279 HydrophobicContact CB-CE1 3.92Å; L157-Y279 HydrophobicContact CD1-CD1 3.64Å; L157-Y279 HydrophobicContact CD1-CE1 3.64Å; L157-Y279 HydrophobicContact CD2-CD1 4.04Å; L157-Y279 HydrophobicContact CD2-CD2 4.44Å; L157-Y279 HydrophobicContact CD2-CE1 4.24Å; L157-Y279 HydrophobicContact CD2-CG 4.13Å; L157-Y279 HydrophobicContact CG-CD1 4.28Å; L157-Y279 HydrophobicContact CG-CE1 4.14Å; L157-F282 HydrophobicContact CD1-CB 4.28Å; L157-F282 HydrophobicContact CD2-CB 4.05Å; L157-F282 HydrophobicContact CD2-CD2 4.22Å; L157-F282 HydrophobicContact CG-CB 4.27Å; L157-W285 HydrophobicContact CD1-CB 4.31Å; L157-T286 HydrophobicContact CD1-CG2 3.79Å
158	G	48	Very low	48.2	Very low	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	9.4	-176	0	0	0	0	0	115.2	T91 T94 G156 S160	T91-G158 PolarHBondContact OG1-O 2.96Å; T94-G158 PolarHBondContact OG1-O 2.92Å; G156-G158 PolarHBondContact O-N 3.07Å; G158-S160 PolarHBondContact O-N 3.22Å
159	Q	54.5	Low	47.9	Very low	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	-60.8	126.7	158.5	177.5	-173.2	78.5	0	0	108.1	H66 C153 C155 G156 L157 D178	H66-Q159 HydrophobicContact CB-CB 3.73Å; H66-Q159 HydrophobicContact CB-CG 3.6Å; H66-Q159 PolarHBondContact CD2-NE2 3.44Å; C153-Q159 WeakPolarHBondContact CA-O 3.3Å; C155-Q159 PolarHBondContact SG-NE2 2.97Å; G156-Q159 WeakPolarHBondContact O-CB 3.39Å; G156-Q159 PolarHBondContact O-N 2.81Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; Q159-D178 PolarHBondContact OE1-O 3.05Å
160	S	50	Low	47.6	Very low	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.			trans	-113.3	129.9	175.7	47.3	0	0	0	0	110.1	S65 T91 C151 G158 L162	S65-S160 PolarHBondContact O-N 3.3Å; S65-S160 VanDerWaalsContact O-N 3.15Å; S65-S160 PolarHBondContact O-OG 3.34Å; T91-S160 VanDerWaalsContact CG2-OG 3.25Å; T91-S160 WeakPolarHBondContact CG2-OG 3.46Å; C151-S160 VanDerWaalsContact CB-CB 3.47Å; C151-S160 WeakPolarHBondContact SG-CB 3.26Å; G158-S160 PolarHBondContact O-N 3.22Å; S160-L162 PolarHBondContact O-N 2.99Å
161	Q	51.5	Low	47.4	Very low	2 Å²	2	21.3 Å²	21.3	1%	0.009	12%	0.124	C	C	.	.			trans	-63.3	116	152.7	-67.9	-175	8.9	0	0	107.4	I175 L176 F179	Q161-I175 HydrophobicContact CB-CG2 4.29Å; Q161-L176 WeakPolarHBondContact CA-O 3.46Å; Q161-F179 HydrophobicContact CG-CB 4.43Å
162	L	50.2	Low	47.7	Very low	7 Å²	7	21.3 Å²	21.3	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.6	177.7	-77.1	164.8	0	0	0	108.8	I63 A149 S160 L174 I175 L176	I63-L162 HydrophobicContact CB-CD1 4.07Å; I63-L162 HydrophobicContact CG2-CD1 3.31Å; I63-L162 HydrophobicContact CG2-CD2 3.53Å; I63-L162 HydrophobicContact CG2-CG 4.02Å; A149-L162 HydrophobicContact CB-CD2 3.87Å; S160-L162 PolarHBondContact O-N 2.99Å; L162-L174 VanDerWaalsContact O-O 3.05Å; L162-I175 WeakPolarHBondContact O-CA 3.41Å; L162-L176 PolarHBondContact N-O 3.21Å; L162-L176 PolarHBondContact O-N 2.92Å
163	F	48.5	Very low	47.6	Very low	24 Å²	24	21 Å²	21	11%	0.105	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.6	170.5	-172	-96.4	0	0	0	108.6	Q148 R150 R165 Q173 L174 I175 C195	Q148-F163 CarbonylContact C-O 3.58Å; Q148-F163 CarbonylContact O-C 3.6Å; R150-F163 HydrophobicContact CB-CB 4.25Å; F163-R165 HydrophobicContact CD1-CB 4.25Å; F163-R165 HydrophobicContact CE1-CB 3.76Å; F163-Q173 HydrophobicContact CD2-CB 4.47Å; F163-Q173 HydrophobicContact CE1-CB 4.47Å; F163-Q173 HydrophobicContact CE1-CG 4.05Å; F163-Q173 HydrophobicContact CE2-CB 3.57Å; F163-Q173 HydrophobicContact CE2-CG 3.8Å; F163-Q173 HydrophobicContact CZ-CB 3.62Å; F163-Q173 HydrophobicContact CZ-CG 3.29Å; F163-L174 VanDerWaalsContact CA-O 3.26Å; F163-L174 WeakPolarHBondContact CA-O 3.21Å; F163-I175 HydrophobicContact CD2-CG1 4.01Å; F163-C195 HydrophobicContact CE2-CB 4.36Å
164	T	46.2	Very low	48	Very low	11 Å²	11	20.3 Å²	20.3	7%	0.067	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.8	172	65.7	0	0	0	0	109.2	I63 L147 Q173 L174	I63-T164 HydrophobicContact CD1-CG2 4.01Å; L147-T164 HydrophobicContact CD2-CG2 3.5Å; L147-T164 VanDerWaalsContact CD2-CG2 3.5Å; T164-Q173 WeakPolarHBondContact O-CA 3.19Å; T164-L174 PolarHBondContact N-O 3.24Å; T164-L174 VanDerWaalsContact N-O 3.13Å; T164-L174 PolarHBondContact O-N 3.08Å; T164-L174 WeakPolarHBondContact OG1-CB 3.29Å
165	R	47.3	Very low	48.2	Very low	89 Å²	89	20.4 Å²	20.4	34%	0.336	12%	0.119	S	C	.	.			trans	-130.9	109.9	-179.8	-178.7	179.6	-168.5	-165.8	5.4	112.6	L146 F163 L167 S170 H172	L146-R165 CarbonylContact O-C 3.57Å; F163-R165 HydrophobicContact CD1-CB 4.25Å; F163-R165 HydrophobicContact CE1-CB 3.76Å; R165-L167 PolarHBondContact O-N 3.24Å; R165-S170 PolarHBondContact NE-O 3.02Å; R165-S170 VanDerWaalsContact NE-O 3.07Å; R165-S170 PolarHBondContact NH2-O 3.13Å; R165-H172 WeakPolarHBondContact CA-O 3.17Å; R165-H172 WeakPolarHBondContact CB-O 3.23Å; R165-H172 WeakPolarHBondContact CG-O 3.34Å
166	S	43.5	Very low	48.9	Very low	10 Å²	10	20.7 Å²	20.7	7%	0.07	12%	0.12	C	C	.	.			trans	-63.1	130.6	172.5	172.1	0	0	0	0	110.8	A168 D169 S170	S166-A168 PolarHBondContact OG-N 2.8Å; S166-D169 WeakPolarHBondContact CB-OD1 3.08Å; S166-D169 PolarHBondContact OG-OD1 2.83Å; S166-S170 PolarHBondContact O-N 2.97Å
167	L	37.7	Very low	49.5	Very low	74 Å²	74	21.1 Å²	21.1	39%	0.387	13%	0.125	S	C	.	.	S	Bend	trans	-77.9	-28.8	175.3	-70.4	170.4	0	0	0	113	L146 R165 D169	L146-L167 HydrophobicContact CB-CD1 3.67Å; L146-L167 HydrophobicContact CB-CD2 3.73Å; L146-L167 HydrophobicContact CB-CG 3.49Å; L146-L167 VanDerWaalsContact CB-CG 3.49Å; L146-L167 HydrophobicContact CD1-CD1 3.22Å; L146-L167 HydrophobicContact CD1-CD2 3.87Å; L146-L167 HydrophobicContact CD1-CG 3.9Å; L146-L167 HydrophobicContact CD2-CD2 4.21Å; L146-L167 HydrophobicContact CG-CD1 3.95Å; L146-L167 HydrophobicContact CG-CD2 4.1Å; L146-L167 HydrophobicContact CG-CG 4.17Å; R165-L167 PolarHBondContact O-N 3.24Å; L167-D169 PolarHBondContact O-N 2.83Å; L167-D169 VanDerWaalsContact O-N 3.07Å
168	A	37.7	Very low	50.9	Low	94 Å²	94	21.1 Å²	21.1	78%	0.777	13%	0.125	S	C	*	.	S	Bend	trans	-62.3	-21.8	-171	0	0	0	0	0	111.8	S166	S166-A168 PolarHBondContact OG-N 2.8Å
169	D	42.4	Very low	52.5	Low	24 Å²	24	21.3 Å²	21.3	13%	0.128	13%	0.125	C	C	.	.	S	Bend	trans	-144.7	11.9	-167.2	41.2	20.8	0	0	0	112.9	S166 L167 S171 H172	S166-D169 WeakPolarHBondContact CB-OD1 3.08Å; S166-D169 PolarHBondContact OG-OD1 2.83Å; L167-D169 PolarHBondContact O-N 2.83Å; L167-D169 VanDerWaalsContact O-N 3.07Å; D169-S171 WeakPolarHBondContact O-CA 3.21Å; D169-S171 VanDerWaalsContact O-CB 3.22Å; D169-S171 WeakPolarHBondContact O-CB 3.15Å; D169-S171 PolarHBondContact O-N 2.73Å; D169-S171 PolarHBondContact O-OG 3.34Å; D169-H172 IonicContact OD1-CD2 3.34Å; D169-H172 PolarHBondContact OD1-CD2 2.79Å; D169-H172 IonicContact OD1-NE2 2.74Å; D169-H172 IonicContact OD2-CD2 3.75Å; D169-H172 PolarHBondContact OD2-CD2 2.88Å; D169-H172 IonicContact OD2-NE2 3.62Å; D169-H172 PolarHBondContact OD2-NE2 2.66Å
170	S	41.4	Very low	53.8	Low	37 Å²	37	21.7 Å²	21.7	26%	0.259	13%	0.128	S	C	.	.	S	Bend	trans	50.7	-8.5	170.1	-48.9	0	0	0	0	118.5	R165 S166	R165-S170 PolarHBondContact NE-O 3.02Å; R165-S170 VanDerWaalsContact NE-O 3.07Å; R165-S170 PolarHBondContact NH2-O 3.13Å; S166-S170 PolarHBondContact O-N 2.97Å
171	S	44.6	Very low	55.3	Low	17 Å²	17	23.3 Å²	23.3	12%	0.119	14%	0.135	C	C	.	.			trans	-114.7	-8	-155.2	46	0	0	0	0	112.9	D169	D169-S171 WeakPolarHBondContact O-CA 3.21Å; D169-S171 VanDerWaalsContact O-CB 3.22Å; D169-S171 WeakPolarHBondContact O-CB 3.15Å; D169-S171 PolarHBondContact O-N 2.73Å; D169-S171 PolarHBondContact O-OG 3.34Å
172	H	53.5	Low	56.8	Low	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.156	C	C	.	.			trans	-106.3	126.7	-166.8	-54.1	-38.2	0	0	0	110.7	F2 R165 D169 D198 T448	F2-H172 HydrophobicContact CE1-CB 3.63Å; F2-H172 AromaticContact CE1-CG 3.9Å; F2-H172 HydrophobicContact CE2-CB 3.95Å; F2-H172 AromaticContact CE2-CD2 3.12Å; F2-H172 WeakPolarHBondContact CE2-CD2 2.86Å; F2-H172 AromaticContact CE2-CE1 3.71Å; F2-H172 AromaticContact CE2-CG 3.26Å; F2-H172 AromaticContact CE2-ND1 3.58Å; F2-H172 AromaticContact CE2-NE2 3.41Å; F2-H172 WeakPolarHBondContact CE2-NE2 3.47Å; F2-H172 HydrophobicContact CZ-CB 3.12Å; F2-H172 AromaticContact CZ-CD2 3.1Å; F2-H172 WeakPolarHBondContact CZ-CD2 3.47Å; F2-H172 AromaticContact CZ-CG 2.96Å; F2-H172 AromaticContact CZ-ND1 3.69Å; F2-H172 AromaticContact CZ-NE2 3.9Å; R165-H172 WeakPolarHBondContact CA-O 3.17Å; R165-H172 WeakPolarHBondContact CB-O 3.23Å; R165-H172 WeakPolarHBondContact CG-O 3.34Å; D169-H172 IonicContact OD1-CD2 3.34Å; D169-H172 PolarHBondContact OD1-CD2 2.79Å; D169-H172 IonicContact OD1-NE2 2.74Å; D169-H172 IonicContact OD2-CD2 3.75Å; D169-H172 PolarHBondContact OD2-CD2 2.88Å; D169-H172 IonicContact OD2-NE2 3.62Å; D169-H172 PolarHBondContact OD2-NE2 2.66Å; H172-D198 IonicContact CE1-OD2 3.6Å; H172-D198 PolarHBondContact CE1-OD2 3.3Å; H172-D198 IonicContact CG-OD2 2.67Å; H172-D198 IonicContact ND1-OD2 3.45Å; H172-D198 PolarHBondContact ND1-OD2 3.2Å; H172-T448 VanDerWaalsContact CE1-CB 3.4Å; H172-T448 WeakPolarHBondContact CE1-CB 3.47Å
173	Q	51.9	Low	58.3	Low	27 Å²	27	29.9 Å²	29.9	13%	0.126	18%	0.178	C	C	.	.			trans	-141.3	138	-175.3	-62.2	176.4	39.1	0	0	106.3	F163 T164 C195 P197 V199	F163-Q173 HydrophobicContact CD2-CB 4.47Å; F163-Q173 HydrophobicContact CE1-CB 4.47Å; F163-Q173 HydrophobicContact CE1-CG 4.05Å; F163-Q173 HydrophobicContact CE2-CB 3.57Å; F163-Q173 HydrophobicContact CE2-CG 3.8Å; F163-Q173 HydrophobicContact CZ-CB 3.62Å; F163-Q173 HydrophobicContact CZ-CG 3.29Å; T164-Q173 WeakPolarHBondContact O-CA 3.19Å; Q173-C195 PolarHBondContact NE2-O 3.2Å; Q173-C195 PolarHBondContact OE1-O 2.97Å; Q173-C195 PolarHBondContact OE1-SG 3.32Å; Q173-C195 VanDerWaalsContact OE1-SG 3.34Å; Q173-P197 HydrophobicContact CB-CB 3.64Å; Q173-P197 WeakPolarHBondContact O-CB 3.33Å; Q173-V199 VanDerWaalsContact O-O 3.06Å
174	L	56.1	Low	59.8	Low	3 Å²	3	29.5 Å²	29.5	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.9	-175.8	-162.5	76.1	0	0	0	106.7	L4 I20 L29 L162 F163 T164 L176 V199 I201	L4-L174 HydrophobicContact CD2-CD2 4.49Å; I20-L174 HydrophobicContact CD1-CD2 3.16Å; I20-L174 HydrophobicContact CG1-CD2 4.24Å; L29-L174 HydrophobicContact CD1-CD2 4.12Å; L162-L174 VanDerWaalsContact O-O 3.05Å; F163-L174 VanDerWaalsContact CA-O 3.26Å; F163-L174 WeakPolarHBondContact CA-O 3.21Å; T164-L174 PolarHBondContact N-O 3.24Å; T164-L174 VanDerWaalsContact N-O 3.13Å; T164-L174 PolarHBondContact O-N 3.08Å; T164-L174 WeakPolarHBondContact OG1-CB 3.29Å; L174-L176 HydrophobicContact CB-CD1 4.26Å; L174-L176 HydrophobicContact CD2-CD1 3.41Å; L174-L176 VanDerWaalsContact CD2-CD1 3.41Å; L174-L176 HydrophobicContact CG-CD1 3.46Å; L174-L176 VanDerWaalsContact CG-CD1 3.46Å; L174-V199 HydrophobicContact CD1-CB 3.92Å; L174-V199 HydrophobicContact CD1-CG1 4.18Å; L174-V199 WeakPolarHBondContact CD1-O 3.12Å; L174-I201 HydrophobicContact CD1-CD1 3.49Å; L174-I201 VanDerWaalsContact CD1-CD1 3.49Å; L174-I201 HydrophobicContact CD1-CG1 3.6Å; L174-I201 HydrophobicContact CD2-CD1 3.75Å; L174-I201 HydrophobicContact CG-CD1 3.78Å; L174-I201 HydrophobicContact CG-CG1 4.16Å
175	I	57.3	Low	61.5	Low	4 Å²	4	32.1 Å²	32.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.8	179.3	-59.6	138.7	0	0	0	106.2	Q161 L162 F163 I192 P197 L200 I201 C405	Q161-I175 HydrophobicContact CB-CG2 4.29Å; L162-I175 WeakPolarHBondContact O-CA 3.41Å; F163-I175 HydrophobicContact CD2-CG1 4.01Å; I175-I192 HydrophobicContact CB-CD1 4.3Å; I175-I192 HydrophobicContact CD1-CD1 3.15Å; I175-I192 HydrophobicContact CD1-CG1 4.39Å; I175-I192 HydrophobicContact CG1-CD1 3.35Å; I175-I192 HydrophobicContact CG2-CD1 4.02Å; I175-P197 HydrophobicContact CD1-CG 4.38Å; I175-L200 HydrophobicContact CB-CD1 3.66Å; I175-L200 HydrophobicContact CD1-CD1 3.78Å; I175-L200 HydrophobicContact CG1-CD1 4.37Å; I175-L200 HydrophobicContact CG2-CD1 4.17Å; I175-I201 CarbonylContact O-C 3.31Å; I175-I201 PolarHBondContact O-N 3.24Å; I175-C405 HydrophobicContact CD1-CB 4.32Å; I175-C405 VanDerWaalsContact CD1-SG 3.57Å
176	L	62.8	Low	62.9	Low	9 Å²	9	28 Å²	28	5%	0.047	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.6	178.6	-68.2	104.2	0	0	0	112.6	I18 L29 Q161 L162 L174 I201	I18-L176 HydrophobicContact CD1-CD2 3.69Å; L29-L176 HydrophobicContact CD1-CB 4.42Å; L29-L176 HydrophobicContact CD1-CD1 3.08Å; L29-L176 HydrophobicContact CD1-CD2 3.6Å; L29-L176 HydrophobicContact CD1-CG 3.8Å; Q161-L176 WeakPolarHBondContact CA-O 3.46Å; L162-L176 PolarHBondContact N-O 3.21Å; L162-L176 PolarHBondContact O-N 2.92Å; L174-L176 HydrophobicContact CB-CD1 4.26Å; L174-L176 HydrophobicContact CD2-CD1 3.41Å; L174-L176 VanDerWaalsContact CD2-CD1 3.41Å; L174-L176 HydrophobicContact CG-CD1 3.46Å; L174-L176 VanDerWaalsContact CG-CD1 3.46Å; L176-I201 HydrophobicContact CD1-CB 4.5Å; L176-I201 HydrophobicContact CD1-CD1 4.1Å; L176-I201 HydrophobicContact CD2-CB 3.67Å; L176-I201 HydrophobicContact CD2-CD1 3.64Å; L176-I201 HydrophobicContact CD2-CG1 4.24Å; L176-I201 HydrophobicContact CD2-CG2 3.49Å; L176-I201 VanDerWaalsContact CD2-CG2 3.49Å; L176-I201 HydrophobicContact CG-CB 3.8Å; L176-I201 HydrophobicContact CG-CD1 4.08Å; L176-I201 HydrophobicContact CG-CG1 4.44Å; L176-I201 HydrophobicContact CG-CG2 4.13Å
177	G	65.1	Low	64.7	Low	10 Å²	10	27.5 Å²	27.5	10%	0.103	17%	0.166	C	C	.	.	S	Bend	trans	120.5	170.7	173.7	0	0	0	0	0	110.2	F179	G177-F179 WeakPolarHBondContact O-CD1 3.22Å
178	D	78.3	Confident	66.5	Low	1 Å²	1	25.2 Å²	25.2	1%	0.005	16%	0.16	C	C	.	.			trans	-69.4	145.9	168	-60.8	-28.1	0	0	0	109.7	H66 H71 Q159 E203 H392 H414	H66-D178 IonicContact CE1-OD2 3.97Å; H66-D178 PolarHBondContact CE1-OD2 2.85Å; H66-D178 VanDerWaalsContact CE1-OD2 3.28Å; H66-D178 IonicContact NE2-OD2 3.45Å; H66-D178 PolarHBondContact NE2-OD2 3.3Å; H71-D178 IonicContact CD2-OD2 2.63Å; H71-D178 IonicContact CE1-OD1 3.44Å; H71-D178 IonicContact NE2-OD1 3.36Å; H71-D178 IonicContact NE2-OD2 2.92Å; H71-D178 PolarHBondContact NE2-OD2 2.84Å; Q159-D178 PolarHBondContact OE1-O 3.05Å; D178-E203 VanDerWaalsContact CA-OE1 3.25Å; D178-E203 WeakPolarHBondContact CA-OE1 3.46Å; D178-H392 VanDerWaalsContact CG-ND1 3.3Å; D178-H392 IonicContact OD1-CE1 2.79Å; D178-H392 PolarHBondContact OD1-CE1 3.5Å; D178-H392 IonicContact OD1-ND1 3.41Å; D178-H392 PolarHBondContact OD1-ND1 2.83Å; D178-H392 IonicContact OD2-CE1 2.76Å; D178-H392 PolarHBondContact OD2-CE1 3.42Å; D178-H392 IonicContact OD2-ND1 2.94Å; D178-H392 IonicContact OD2-NE2 3.5Å; D178-H414 IonicContact OD1-CE1 3.07Å; D178-H414 IonicContact OD1-ND1 3.13Å
179	F	82.4	Confident	68.5	Low	4 Å²	4	21.8 Å²	21.8	2%	0.018	13%	0.132	C	C	.	.			trans	-146.6	161.7	-178	61.5	-86.4	0	0	0	113.9	S154 Q161 G177 M181 A190 S202 E203 H392 A393 I398 L401	S154-F179 WeakPolarHBondContact OG-CA 3.2Å; S154-F179 WeakPolarHBondContact OG-CB 3.39Å; Q161-F179 HydrophobicContact CG-CB 4.43Å; G177-F179 WeakPolarHBondContact O-CD1 3.22Å; F179-M181 HydrophobicContact CD2-CG 4.2Å; F179-M181 HydrophobicContact CD2-SD 4.21Å; F179-M181 HydrophobicContact CE2-CG 4.29Å; F179-A190 HydrophobicContact CB-CB 4.32Å; F179-S202 WeakPolarHBondContact CE1-OG 3.46Å; F179-S202 WeakPolarHBondContact CZ-OG 3.47Å; F179-E203 HydrophobicContact CD1-CG 3.87Å; F179-E203 HydrophobicContact CE1-CG 3.63Å; F179-E203 PolarHBondContact N-OE1 3.26Å; F179-H392 CarbonylContact O-C 3.51Å; F179-H392 VanDerWaalsContact O-C 3.31Å; F179-A393 HydrophobicContact CD2-CB 3.58Å; F179-A393 HydrophobicContact CE2-CB 3.3Å; F179-A393 HydrophobicContact CG-CB 4.36Å; F179-A393 HydrophobicContact CZ-CB 3.88Å; F179-A393 WeakPolarHBondContact O-CA 3.37Å; F179-A393 WeakPolarHBondContact O-CB 3.41Å; F179-A393 PolarHBondContact O-N 2.85Å; F179-I398 HydrophobicContact CE2-CG1 4.41Å; F179-I398 HydrophobicContact CZ-CB 4.36Å; F179-I398 HydrophobicContact CZ-CG1 3.9Å; F179-L401 HydrophobicContact CD1-CD2 4.03Å; F179-L401 HydrophobicContact CD2-CD2 3.94Å; F179-L401 HydrophobicContact CE1-CD2 3.68Å; F179-L401 HydrophobicContact CE2-CB 3.83Å; F179-L401 HydrophobicContact CE2-CD2 3.56Å; F179-L401 HydrophobicContact CE2-CG 4.23Å; F179-L401 HydrophobicContact CG-CD2 4.17Å; F179-L401 HydrophobicContact CZ-CB 4.21Å; F179-L401 HydrophobicContact CZ-CD2 3.43Å; F179-L401 VanDerWaalsContact CZ-CD2 3.43Å; F179-L401 HydrophobicContact CZ-CG 4.44Å
180	N	81	Confident	70.1	Confident	8 Å²	8	20.9 Å²	20.9	4%	0.043	13%	0.128	C	C	.	.			trans	-134.9	114.8	172.9	-161.9	-12.8	0	0	0	111.1	S154 C155 T182 A190 A391	S154-N180 VanDerWaalsContact CB-N 3.33Å; S154-N180 VanDerWaalsContact CB-O 3.25Å; S154-N180 WeakPolarHBondContact CB-O 3.48Å; S154-N180 VanDerWaalsContact O-CB 3.25Å; S154-N180 WeakPolarHBondContact O-CB 3.4Å; S154-N180 PolarHBondContact OG-N 2.77Å; C155-N180 HydrophobicContact CB-CB 4.36Å; N180-T182 VanDerWaalsContact CG-O 3.23Å; N180-T182 PolarHBondContact ND2-O 3.47Å; N180-T182 PolarHBondContact O-N 3.21Å; N180-T182 WeakPolarHBondContact OD1-CB 3.36Å; N180-T182 PolarHBondContact OD1-N 2.7Å; N180-T182 PolarHBondContact OD1-O 3.09Å; N180-A190 WeakPolarHBondContact O-CB 3.19Å; N180-A190 PolarHBondContact O-N 3.46Å; N180-A391 WeakPolarHBondContact CB-O 3.35Å; N180-A391 VanDerWaalsContact CG-O 3.32Å; N180-A391 PolarHBondContact ND2-O 2.8Å
181	M	82.4	Confident	71.4	Confident	34 Å²	34	25.3 Å²	25.3	17%	0.167	15%	0.145	C	C	.	.	S	Bend	trans	-75.4	-1.7	175	-60.6	-56.5	-66.3	0	0	113.2	F179 A190 G397 Q400 L401 N404	F179-M181 HydrophobicContact CD2-CG 4.2Å; F179-M181 HydrophobicContact CD2-SD 4.21Å; F179-M181 HydrophobicContact CE2-CG 4.29Å; M181-A190 HydrophobicContact SD-CB 3.59Å; M181-A190 VanDerWaalsContact SD-CB 3.59Å; M181-G397 VanDerWaalsContact CG-O 3.3Å; M181-G397 WeakPolarHBondContact CG-O 3.4Å; M181-Q400 HydrophobicContact CE-CG 4.34Å; M181-L401 HydrophobicContact CE-CD1 4.3Å; M181-L401 HydrophobicContact CG-CB 4.5Å; M181-L401 HydrophobicContact SD-CB 4.06Å; M181-L401 HydrophobicContact SD-CD1 3.72Å; M181-L401 HydrophobicContact SD-CG 4.48Å; M181-N404 WeakPolarHBondContact CE-ND2 3.08Å
182	T	81.9	Confident	72.6	Confident	73 Å²	73	25.6 Å²	25.6	45%	0.448	14%	0.144	S	C	.	.	S	Bend	trans	-112.6	129.5	179.4	-54.8	0	0	0	0	110.3	N180	N180-T182 VanDerWaalsContact CG-O 3.23Å; N180-T182 PolarHBondContact ND2-O 3.47Å; N180-T182 PolarHBondContact O-N 3.21Å; N180-T182 WeakPolarHBondContact OD1-CB 3.36Å; N180-T182 PolarHBondContact OD1-N 2.7Å; N180-T182 PolarHBondContact OD1-O 3.09Å
183	P	82.1	Confident	73.3	Confident	74 Å²	74	29.7 Å²	29.7	48%	0.481	17%	0.167	S	C	.	.			trans	-70.3	146.1	-179.3	29.3	-33.7	0	0	0	111.9	A189 K214	P183-A189 HydrophobicContact CB-CB 4.19Å; P183-K214 PolarHBondContact O-NZ 3.35Å
184	D	80.3	Confident	74.2	Confident	15 Å²	15	32 Å²	32	8%	0.08	19%	0.185	C	C	.	.			trans	-99.3	174.1	171.5	-83.2	-33.7	0	0	0	112.3	H186 L187 K214 R244	D184-H186 PolarHBondContact O-N 3.41Å; D184-H186 IonicContact OD2-CE1 3.02Å; D184-L187 CarbonylContact C-O 3.46Å; D184-L187 PolarHBondContact N-O 3.05Å; D184-K214 IonicContact OD1-NZ 2.74Å; D184-K214 PolarHBondContact OD1-NZ 2.86Å; D184-R244 IonicContact OD1-CZ 3.87Å; D184-R244 IonicContact OD1-NH1 3.83Å; D184-R244 PolarHBondContact OD1-NH1 3.16Å; D184-R244 IonicContact OD2-CZ 3.51Å; D184-R244 IonicContact OD2-NH1 3.71Å; D184-R244 PolarHBondContact OD2-NH1 3.43Å; D184-R244 IonicContact OD2-NH2 3.03Å
185	R	82	Confident	74.9	Confident	66 Å²	66	32.9 Å²	32.9	25%	0.249	19%	0.191	C	C	.	.	S	Bend	trans	-64.5	-39.9	175.1	-68.9	170.5	176.5	75.5	1.4	109.8	E218 E247 S287 I290	R185-E218 IonicContact CZ-OE1 2.82Å; R185-E218 IonicContact CZ-OE2 3.93Å; R185-E218 VanDerWaalsContact NH1-CD 3.35Å; R185-E218 IonicContact NH1-OE1 2.79Å; R185-E218 PolarHBondContact NH1-OE1 3.46Å; R185-E218 IonicContact NH1-OE2 3.62Å; R185-E218 VanDerWaalsContact NH2-CD 3.31Å; R185-E218 IonicContact NH2-OE1 3.87Å; R185-E218 PolarHBondContact NH2-OE1 2.57Å; R185-E218 IonicContact NH2-OE2 3.94Å; R185-E218 PolarHBondContact NH2-OE2 3.36Å; R185-E247 VanDerWaalsContact CB-OE2 3.28Å; R185-E247 WeakPolarHBondContact CB-OE2 3.2Å; R185-E247 VanDerWaalsContact CG-OE1 3.3Å; R185-E247 WeakPolarHBondContact CG-OE1 3.23Å; R185-E247 IonicContact CZ-OE1 3.92Å; R185-E247 PolarHBondContact N-OE1 2.87Å; R185-E247 PolarHBondContact N-OE2 3.46Å; R185-E247 IonicContact NH1-OE1 3.71Å; R185-E247 PolarHBondContact NH1-OE1 3.2Å; R185-S287 PolarHBondContact O-OG 2.71Å; R185-S287 VanDerWaalsContact O-OG 3.06Å; R185-I290 WeakPolarHBondContact O-CG1 3.34Å
186	H	76.9	Confident	76	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.215	C	C	.	.	S	Bend	trans	-91.5	-22.9	-172.4	66.7	-71.1	0	0	0	114.5	D184 G243 E247 I250 Y279 T286 S287 I290 F300	D184-H186 PolarHBondContact O-N 3.41Å; D184-H186 IonicContact OD2-CE1 3.02Å; H186-G243 PolarHBondContact NE2-O 3.49Å; H186-E247 IonicContact CE1-OE2 2.72Å; H186-E247 IonicContact CG-OE2 3.71Å; H186-E247 IonicContact ND1-OE2 3.8Å; H186-E247 PolarHBondContact ND1-OE2 3.38Å; H186-I250 HydrophobicContact CB-CD1 4.39Å; H186-Y279 HydrophobicContact CB-CE1 4.43Å; H186-Y279 AromaticContact CD2-CE1 3.8Å; H186-Y279 AromaticContact CD2-CZ 3.76Å; H186-Y279 PolarHBondContact CD2-OH 3.24Å; H186-T286 WeakPolarHBondContact O-CB 3.26Å; H186-S287 PolarHBondContact O-N 3.06Å; H186-I290 HydrophobicContact CB-CD1 4.04Å; H186-F300 HydrophobicContact CB-CE1 4.16Å; H186-F300 HydrophobicContact CB-CZ 4.11Å
187	L	80.7	Confident	76.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-134.5	152.5	-177.3	-67	168.6	0	0	0	111.9	L157 D184	L157-L187 HydrophobicContact CD1-CD2 4.29Å; D184-L187 CarbonylContact C-O 3.46Å; D184-L187 PolarHBondContact N-O 3.05Å
188	G	76.4	Confident	77.5	Confident	26 Å²	26	37.4 Å²	37.4	27%	0.268	21%	0.209	S	C	.	.			trans	-69.4	175.5	171.4	0	0	0	0	0	112.9
189	A	78.6	Confident	77.8	Confident	22 Å²	22	37.5 Å²	37.5	18%	0.182	21%	0.21	C	C	.	.			trans	-82.4	161.3	169.6	0	0	0	0	0	110.5	C153 P183 E191	C153-A189 CarbonylContact O-C 3.59Å; P183-A189 HydrophobicContact CB-CB 4.19Å; A189-E191 PolarHBondContact O-N 2.98Å
190	A	75.6	Confident	78	Confident	5 Å²	5	37.3 Å²	37.3	4%	0.041	21%	0.209	C	C	.	.			trans	-61.4	122.6	166.5	0	0	0	0	0	109	F179 N180 M181	F179-A190 HydrophobicContact CB-CB 4.32Å; N180-A190 WeakPolarHBondContact O-CB 3.19Å; N180-A190 PolarHBondContact O-N 3.46Å; M181-A190 HydrophobicContact SD-CB 3.59Å; M181-A190 VanDerWaalsContact SD-CB 3.59Å
191	E	69.3	Low	78.3	Confident	131 Å²	131	37.1 Å²	37.1	61%	0.612	21%	0.208	S	C	*	.			trans	-113.1	138.2	173.7	-70.6	176.5	-169.9	0	0	107.8	Y152 A189	Y152-E191 WeakPolarHBondContact CB-O 3.11Å; Y152-E191 HydrophobicContact CD1-CB 3.84Å; Y152-E191 WeakPolarHBondContact CD1-O 3.4Å; Y152-E191 VanDerWaalsContact CD2-O 3.27Å; Y152-E191 WeakPolarHBondContact CD2-O 3.5Å; Y152-E191 HydrophobicContact CE1-CB 4.41Å; A189-E191 PolarHBondContact O-N 2.98Å
192	I	70.7	Confident	78.6	Confident	22 Å²	22	35.6 Å²	35.6	11%	0.113	20%	0.2	C	C	.	.			trans	-149.3	133.7	172.6	-171.1	150.3	0	0	0	109.5	I175 L401 N404	I175-I192 HydrophobicContact CB-CD1 4.3Å; I175-I192 HydrophobicContact CD1-CD1 3.15Å; I175-I192 HydrophobicContact CD1-CG1 4.39Å; I175-I192 HydrophobicContact CG1-CD1 3.35Å; I175-I192 HydrophobicContact CG2-CD1 4.02Å; I192-L401 HydrophobicContact CG2-CD1 3.58Å; I192-N404 HydrophobicContact CG2-CB 4.18Å
193	D	67.2	Low	79	Confident	88 Å²	88	32.3 Å²	32.3	47%	0.471	18%	0.18	S	C	.	.			trans	-66	151.6	174.2	-62	-32.9	0	0	0	110	R150 Y152 C195	R150-D193 IonicContact NH1-OD2 3.34Å; R150-D193 PolarHBondContact NH1-OD2 3.18Å; Y152-D193 PolarHBondContact OH-OD2 3.14Å; D193-C195 VanDerWaalsContact O-CB 3.27Å; D193-C195 WeakPolarHBondContact O-CB 3.4Å; D193-C195 PolarHBondContact O-N 3.46Å
194	C	71.7	Confident	79.6	Confident	76 Å²	76	28.8 Å²	28.8	51%	0.514	16%	0.157	S	C	.	.			trans	-66.6	105.6	170.3	-177.5	0	0	0	0	108.9	N404	C194-N404 WeakPolarHBondContact CA-O 3.03Å
195	C	70.5	Confident	80	Confident	20 Å²	20	28.3 Å²	28.3	14%	0.135	16%	0.155	C	C	.	.			trans	-122.1	-11.7	-161.5	73.7	0	0	0	0	112.4	F163 Q173 D193	F163-C195 HydrophobicContact CE2-CB 4.36Å; Q173-C195 PolarHBondContact NE2-O 3.2Å; Q173-C195 PolarHBondContact OE1-O 2.97Å; Q173-C195 PolarHBondContact OE1-SG 3.32Å; Q173-C195 VanDerWaalsContact OE1-SG 3.34Å; D193-C195 VanDerWaalsContact O-CB 3.27Å; D193-C195 WeakPolarHBondContact O-CB 3.4Å; D193-C195 PolarHBondContact O-N 3.46Å
196	Q	80	Confident	80.4	Confident	114 Å²	114	25.3 Å²	25.3	53%	0.533	14%	0.144	S	C	.	.			trans	49.4	54.4	173.1	-63.1	-175.7	8.4	0	0	114	C405 Q406	Q196-C405 VanDerWaalsContact CA-O 3.24Å; Q196-C405 WeakPolarHBondContact CA-O 3.44Å; Q196-C405 PolarHBondContact N-O 2.94Å; Q196-Q406 WeakPolarHBondContact CA-O 3.41Å; Q196-Q406 HydrophobicContact CG-CB 4.02Å
197	P	79.7	Confident	81	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.			trans	-65.2	150.8	-178.2	29.3	-34.9	0	0	0	111.4	Q173 I175 V199 L200 C405 P407 R408	Q173-P197 HydrophobicContact CB-CB 3.64Å; Q173-P197 WeakPolarHBondContact O-CB 3.33Å; I175-P197 HydrophobicContact CD1-CG 4.38Å; P197-V199 PolarHBondContact O-N 3.11Å; P197-L200 HydrophobicContact CG-CB 4.33Å; P197-C405 WeakPolarHBondContact CD-O 3.28Å; P197-C405 HydrophobicContact CG-CB 4.44Å; P197-P407 HydrophobicContact CG-CB 3.72Å; P197-P407 CarbonylContact O-C 3.46Å; P197-P407 VanDerWaalsContact O-CA 3.25Å; P197-P407 WeakPolarHBondContact O-CA 3.39Å; P197-R408 PolarHBondContact O-N 3.16Å
198	D	80.1	Confident	81.4	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.027	16%	0.161	C	C	.	.	S	Bend	trans	-61.4	-36	168.9	-68.2	-71.3	0	0	0	111.4	H172 R408 S409 T448	H172-D198 IonicContact CE1-OD2 3.6Å; H172-D198 PolarHBondContact CE1-OD2 3.3Å; H172-D198 IonicContact CG-OD2 2.67Å; H172-D198 IonicContact ND1-OD2 3.45Å; H172-D198 PolarHBondContact ND1-OD2 3.2Å; D198-R408 WeakPolarHBondContact OD1-CD 3.42Å; D198-R408 IonicContact OD1-CZ 2.79Å; D198-R408 IonicContact OD1-NE 2.6Å; D198-R408 IonicContact OD1-NH1 3.61Å; D198-R408 PolarHBondContact OD1-NH1 3.18Å; D198-S409 PolarHBondContact O-N 3.19Å; D198-S409 VanDerWaalsContact O-N 3.08Å; D198-S409 PolarHBondContact O-OG 2.95Å; D198-T448 HydrophobicContact CB-CG2 4.23Å
199	V	84.8	Confident	82	Confident	2 Å²	2	29 Å²	29	1%	0.012	16%	0.161	C	C	.	.			trans	-138.4	127.9	177.7	-171.2	0	0	0	0	110.2	L4 Q173 L174 P197 I201 S409 M411 V446	L4-V199 HydrophobicContact CD1-CB 4.44Å; L4-V199 HydrophobicContact CD1-CG1 3.88Å; L4-V199 HydrophobicContact CD1-CG2 4.32Å; Q173-V199 VanDerWaalsContact O-O 3.06Å; L174-V199 HydrophobicContact CD1-CB 3.92Å; L174-V199 HydrophobicContact CD1-CG1 4.18Å; L174-V199 WeakPolarHBondContact CD1-O 3.12Å; P197-V199 PolarHBondContact O-N 3.11Å; V199-I201 HydrophobicContact CG1-CG1 4.1Å; V199-S409 CarbonylContact C-O 3.58Å; V199-S409 VanDerWaalsContact CA-O 3.32Å; V199-S409 WeakPolarHBondContact CA-O 3.33Å; V199-M411 HydrophobicContact CG1-CB 4.12Å; V199-V446 HydrophobicContact CG2-CB 3.79Å; V199-V446 HydrophobicContact CG2-CG1 3.37Å; V199-V446 HydrophobicContact CG2-CG2 3.54Å
200	L	86.2	Confident	82.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.1	162.9	167.3	61	0	0	0	108.8	I175 P197 L401 I402 C405 P407 S409 V410 M411	I175-L200 HydrophobicContact CB-CD1 3.66Å; I175-L200 HydrophobicContact CD1-CD1 3.78Å; I175-L200 HydrophobicContact CG1-CD1 4.37Å; I175-L200 HydrophobicContact CG2-CD1 4.17Å; P197-L200 HydrophobicContact CG-CB 4.33Å; L200-L401 HydrophobicContact CD1-CD2 4.35Å; L200-I402 HydrophobicContact CD2-CB 4.21Å; L200-I402 HydrophobicContact CD2-CG1 3.72Å; L200-C405 HydrophobicContact CD2-CB 4.27Å; L200-P407 HydrophobicContact CB-CB 3.71Å; L200-P407 HydrophobicContact CB-CG 3.95Å; L200-P407 HydrophobicContact CD2-CG 4.19Å; L200-S409 PolarHBondContact N-O 3.5Å; L200-V410 HydrophobicContact CB-CG2 4.27Å; L200-V410 HydrophobicContact CD2-CG2 4.48Å; L200-V410 CarbonylContact O-C 3.44Å; L200-V410 VanDerWaalsContact O-CA 3.26Å; L200-V410 WeakPolarHBondContact O-CA 3.42Å; L200-M411 PolarHBondContact O-N 3.18Å
201	I	87.3	Confident	82.8	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.8	172.5	-55.1	172.7	0	0	0	107.9	L4 I18 L174 I175 L176 V199 M411 V413	L4-I201 HydrophobicContact CD1-CD1 4.14Å; L4-I201 HydrophobicContact CD1-CG1 4.48Å; L4-I201 HydrophobicContact CD2-CD1 4.19Å; I18-I201 HydrophobicContact CD1-CG2 4.1Å; L174-I201 HydrophobicContact CD1-CD1 3.49Å; L174-I201 VanDerWaalsContact CD1-CD1 3.49Å; L174-I201 HydrophobicContact CD1-CG1 3.6Å; L174-I201 HydrophobicContact CD2-CD1 3.75Å; L174-I201 HydrophobicContact CG-CD1 3.78Å; L174-I201 HydrophobicContact CG-CG1 4.16Å; I175-I201 CarbonylContact O-C 3.31Å; I175-I201 PolarHBondContact O-N 3.24Å; L176-I201 HydrophobicContact CD1-CB 4.5Å; L176-I201 HydrophobicContact CD1-CD1 4.1Å; L176-I201 HydrophobicContact CD2-CB 3.67Å; L176-I201 HydrophobicContact CD2-CD1 3.64Å; L176-I201 HydrophobicContact CD2-CG1 4.24Å; L176-I201 HydrophobicContact CD2-CG2 3.49Å; L176-I201 VanDerWaalsContact CD2-CG2 3.49Å; L176-I201 HydrophobicContact CG-CB 3.8Å; L176-I201 HydrophobicContact CG-CD1 4.08Å; L176-I201 HydrophobicContact CG-CG1 4.44Å; L176-I201 HydrophobicContact CG-CG2 4.13Å; V199-I201 HydrophobicContact CG1-CG1 4.1Å; I201-M411 CarbonylContact C-O 3.46Å; I201-M411 VanDerWaalsContact CA-O 3.23Å; I201-M411 WeakPolarHBondContact CA-O 3.2Å; I201-M411 HydrophobicContact CB-CE 4.47Å; I201-M411 HydrophobicContact CD1-CE 3.53Å; I201-M411 HydrophobicContact CG1-CB 4.18Å; I201-M411 HydrophobicContact CG1-CE 3.74Å; I201-M411 HydrophobicContact CG2-CE 3.94Å; I201-V413 HydrophobicContact CG2-CB 4.44Å; I201-V413 HydrophobicContact CG2-CG1 4.04Å; I201-V413 HydrophobicContact CG2-CG2 3.52Å
202	S	89.4	Confident	83.4	Confident	1 Å²	1	33 Å²	33	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	-173.6	-162.1	0	0	0	0	111	F179 M411 V413	F179-S202 WeakPolarHBondContact CE1-OG 3.46Å; F179-S202 WeakPolarHBondContact CZ-OG 3.47Å; S202-M411 PolarHBondContact N-O 2.95Å; S202-V413 PolarHBondContact O-N 3.39Å
203	E	89.8	Confident	84.2	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	153.1	167.3	65.3	143.3	151.2	0	0	111.1	D178 F179 T205 H392 V413 H414	D178-E203 VanDerWaalsContact CA-OE1 3.25Å; D178-E203 WeakPolarHBondContact CA-OE1 3.46Å; F179-E203 HydrophobicContact CD1-CG 3.87Å; F179-E203 HydrophobicContact CE1-CG 3.63Å; F179-E203 PolarHBondContact N-OE1 3.26Å; E203-T205 WeakPolarHBondContact OE2-CB 3.34Å; E203-T205 PolarHBondContact OE2-OG1 3.47Å; E203-H392 VanDerWaalsContact CD-ND1 3.35Å; E203-H392 WeakPolarHBondContact OE1-CB 3.48Å; E203-H392 IonicContact OE1-CG 3.98Å; E203-H392 IonicContact OE1-ND1 2.66Å; E203-H392 PolarHBondContact OE1-ND1 3.09Å; E203-H392 WeakPolarHBondContact OE2-CB 3.32Å; E203-H392 IonicContact OE2-CE1 2.73Å; E203-H392 IonicContact OE2-CG 3.55Å; E203-H392 IonicContact OE2-ND1 3.3Å; E203-H392 PolarHBondContact OE2-ND1 2.8Å; E203-V413 CarbonylContact C-O 3.54Å; E203-V413 WeakPolarHBondContact CA-O 3.25Å; E203-H414 HydrophobicContact CB-CB 4.13Å
204	T	93.4	Very high	85	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.			trans	-137.6	22.4	-175.2	48.8	0	0	0	0	113.1	Y206 A207 F412 V413 H414 G415 M420 L423	T204-Y206 PolarHBondContact O-N 2.91Å; T204-A207 HydrophobicContact CG2-CB 4.41Å; T204-A207 WeakPolarHBondContact O-CB 3.46Å; T204-A207 PolarHBondContact O-N 3.5Å; T204-F412 HydrophobicContact CG2-CB 3.58Å; T204-F412 HydrophobicContact CG2-CD1 3.45Å; T204-F412 VanDerWaalsContact CG2-CD1 3.45Å; T204-F412 HydrophobicContact CG2-CD2 4.02Å; T204-F412 HydrophobicContact CG2-CE1 4.07Å; T204-F412 HydrophobicContact CG2-CG 3.43Å; T204-F412 VanDerWaalsContact CG2-CG 3.43Å; T204-V413 PolarHBondContact N-O 3.29Å; T204-V413 PolarHBondContact OG1-O 2.98Å; T204-H414 CarbonylContact C-O 3.03Å; T204-H414 VanDerWaalsContact C-O 3.24Å; T204-H414 PolarHBondContact N-O 3.24Å; T204-G415 WeakPolarHBondContact OG1-CA 3.44Å; T204-G415 PolarHBondContact OG1-N 2.86Å; T204-M420 HydrophobicContact CG2-CG 4.43Å; T204-M420 VanDerWaalsContact OG1-CG 3.24Å; T204-M420 WeakPolarHBondContact OG1-CG 3.47Å; T204-L423 HydrophobicContact CG2-CD2 4.11Å
205	T	89.9	Confident	85.8	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-38.7	-178.1	-46.2	0	0	0	0	112	V13 E203 Y353 H392 H414	V13-T205 HydrophobicContact CG1-CG2 4.29Å; V13-T205 HydrophobicContact CG2-CG2 4.36Å; E203-T205 WeakPolarHBondContact OE2-CB 3.34Å; E203-T205 PolarHBondContact OE2-OG1 3.47Å; T205-Y353 HydrophobicContact CG2-CD1 4.25Å; T205-Y353 HydrophobicContact CG2-CD2 4.44Å; T205-Y353 HydrophobicContact CG2-CG 4.06Å; T205-H392 PolarHBondContact OG1-ND1 3.01Å; T205-H414 WeakPolarHBondContact CA-O 3.28Å; T205-H414 PolarHBondContact N-O 3.08Å; T205-H414 PolarHBondContact OG1-ND1 2.88Å; T205-H414 VanDerWaalsContact OG1-ND1 3.09Å; T205-H414 PolarHBondContact OG1-O 2.83Å
206	Y	90.5	Very high	86.8	Confident	3 Å²	3	40 Å²	40	1%	0.012	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-118.1	32.6	-179.2	-72.5	-83.7	0	0	0	113.4	T204 T208 T209 Y353 S388 S390 H392 A393 A395	T204-Y206 PolarHBondContact O-N 2.91Å; Y206-T208 PolarHBondContact O-N 2.9Å; Y206-T209 HydrophobicContact CD1-CG2 4.02Å; Y206-T209 PolarHBondContact O-N 2.94Å; Y206-Y353 WeakPolarHBondContact OH-CA 3.43Å; Y206-Y353 VanDerWaalsContact OH-CB 3.28Å; Y206-Y353 WeakPolarHBondContact OH-CB 3.4Å; Y206-Y353 PolarHBondContact OH-N 2.83Å; Y206-S388 WeakPolarHBondContact CE1-OG 3.36Å; Y206-S390 WeakPolarHBondContact CE2-OG 3.36Å; Y206-S390 WeakPolarHBondContact OH-CB 3.35Å; Y206-H392 HydrophobicContact CD2-CB 3.73Å; Y206-H392 HydrophobicContact CE2-CB 3.99Å; Y206-A393 WeakPolarHBondContact CB-O 3.25Å; Y206-A395 PolarHBondContact O-N 2.78Å
207	A	89	Confident	87.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30	-174.1	0	0	0	0	0	115.9	T204 A395 K419 L423	T204-A207 HydrophobicContact CG2-CB 4.41Å; T204-A207 WeakPolarHBondContact O-CB 3.46Å; T204-A207 PolarHBondContact O-N 3.5Å; A207-A395 VanDerWaalsContact O-CB 3.31Å; A207-A395 WeakPolarHBondContact O-CB 3.38Å; A207-K419 HydrophobicContact CB-CB 4.24Å; A207-K419 WeakPolarHBondContact CB-O 3.46Å; A207-L423 HydrophobicContact CB-CB 3.82Å; A207-L423 HydrophobicContact CB-CD2 3.74Å; A207-L423 HydrophobicContact CB-CG 4.4Å
208	T	90.2	Very high	88	Confident	60 Å²	60	37.6 Å²	37.6	37%	0.368	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.8	178.4	54.6	0	0	0	0	113.6	Y206 K419 F422	Y206-T208 PolarHBondContact O-N 2.9Å; T208-K419 HydrophobicContact CG2-CB 3.81Å; T208-K419 HydrophobicContact CG2-CG 3.92Å; T208-F422 HydrophobicContact CG2-CB 3.91Å; T208-F422 HydrophobicContact CG2-CD1 3.68Å; T208-F422 HydrophobicContact CG2-CE1 4.46Å; T208-F422 HydrophobicContact CG2-CG 3.93Å
209	T	88.5	Confident	88.7	Confident	44 Å²	44	45.3 Å²	45.3	27%	0.27	22%	0.219	S	C	.	.			trans	-93	135.1	-175.8	-56.5	0	0	0	0	110.3	Y206 R211 D394 A395	Y206-T209 HydrophobicContact CD1-CG2 4.02Å; Y206-T209 PolarHBondContact O-N 2.94Å; T209-R211 HydrophobicContact CG2-CG 4Å; T209-D394 WeakPolarHBondContact O-CB 3.46Å; T209-A395 WeakPolarHBondContact O-CB 3.33Å; T209-A395 PolarHBondContact O-N 2.81Å
210	I	86.3	Confident	89.2	Confident	97 Å²	97	48.5 Å²	48.5	50%	0.497	23%	0.234	S	C	.	.			trans	-118.4	122	165.9	-62.9	175.8	0	0	0	106	A395 K396	I210-A395 HydrophobicContact CG1-CB 4.41Å; I210-K396 HydrophobicContact CG2-CD 4.03Å; I210-K396 HydrophobicContact CG2-CG 4.49Å
211	R	84	Confident	89.7	Confident	28 Å²	28	48.5 Å²	48.5	11%	0.106	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-90.5	147.6	-175.7	-59.3	-177	-172	152.5	4.8	111.2	T209 S388 S390 H392 D394	T209-R211 HydrophobicContact CG2-CG 4Å; R211-S388 PolarHBondContact NE-OG 3.4Å; R211-S388 VanDerWaalsContact NE-OG 3.07Å; R211-S390 PolarHBondContact NH1-O 3.37Å; R211-S390 PolarHBondContact NH2-OG 3.2Å; R211-H392 PolarHBondContact NH1-O 3.22Å; R211-H392 PolarHBondContact NH2-O 3.4Å; R211-D394 HydrophobicContact CG-CB 4.01Å; R211-D394 PolarHBondContact N-OD2 3.41Å
212	D	82	Confident	90.1	Very high	118 Å²	118	49 Å²	49	63%	0.631	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-61.9	162.6	166.2	-70.4	-39.4	0	0	0	111.5	K214 A216 R217	D212-K214 PolarHBondContact O-N 3.48Å; D212-A216 HydrophobicContact CB-CB 4.44Å; D212-R217 HydrophobicContact CB-CG 4.2Å; D212-R217 PolarHBondContact O-NE 3.13Å; D212-R217 VanDerWaalsContact O-NE 3.07Å; D212-R217 PolarHBondContact O-NH2 3.03Å
213	S	87.1	Confident	90.5	Very high	78 Å²	78	53.7 Å²	53.7	55%	0.545	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-49.7	139.8	173.8	75.1	0	0	0	0	110.9	R215 A216 R217	S213-R215 PolarHBondContact O-N 3.01Å; S213-A216 PolarHBondContact O-N 3.09Å; S213-A216 VanDerWaalsContact OG-CB 3.29Å; S213-A216 WeakPolarHBondContact OG-CB 3.01Å; S213-A216 PolarHBondContact OG-N 3.39Å; S213-R217 PolarHBondContact O-N 3.38Å; S213-R217 VanDerWaalsContact O-N 3.17Å
214	K	84.8	Confident	90.9	Very high	51 Å²	51	55.3 Å²	55.3	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-50.9	-44.9	179.7	177.2	168.3	176.2	166.3	0	111.6	P183 D184 D212 A216 R217 E218 E247	P183-K214 PolarHBondContact O-NZ 3.35Å; D184-K214 IonicContact OD1-NZ 2.74Å; D184-K214 PolarHBondContact OD1-NZ 2.86Å; D212-K214 PolarHBondContact O-N 3.48Å; K214-A216 PolarHBondContact O-N 3.36Å; K214-R217 PolarHBondContact O-N 3.36Å; K214-E218 WeakPolarHBondContact CE-OE1 3.47Å; K214-E218 HydrophobicContact CG-CG 4.41Å; K214-E218 WeakPolarHBondContact CG-OE1 3.33Å; K214-E218 VanDerWaalsContact O-CG 3.26Å; K214-E218 WeakPolarHBondContact O-CG 3.18Å; K214-E218 PolarHBondContact O-N 3.37Å; K214-E247 WeakPolarHBondContact CE-OE1 3.36Å; K214-E247 IonicContact NZ-OE1 2.76Å; K214-E247 PolarHBondContact NZ-OE1 3.32Å
215	R	88	Confident	91.1	Very high	200 Å²	200	55.3 Å²	55.3	76%	0.755	26%	0.263	S	S	*	.	H	α-helix	trans	-60.6	-38.8	178.1	-171.7	177.3	-179.7	-178.4	0.1	113.3	S213 R219	S213-R215 PolarHBondContact O-N 3.01Å; R215-R219 WeakPolarHBondContact O-CB 3.3Å; R215-R219 PolarHBondContact O-N 3.02Å; R215-R219 VanDerWaalsContact O-N 3.09Å
216	A	91.5	Very high	91.5	Very high	24 Å²	24	56.6 Å²	56.6	20%	0.198	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-46.1	178	0	0	0	0	0	111.4	D212 S213 K214 E218 R219 E220	D212-A216 HydrophobicContact CB-CB 4.44Å; S213-A216 PolarHBondContact O-N 3.09Å; S213-A216 VanDerWaalsContact OG-CB 3.29Å; S213-A216 WeakPolarHBondContact OG-CB 3.01Å; S213-A216 PolarHBondContact OG-N 3.39Å; K214-A216 PolarHBondContact O-N 3.36Å; A216-E218 PolarHBondContact O-N 3.46Å; A216-R219 PolarHBondContact O-N 2.71Å; A216-E220 WeakPolarHBondContact O-CB 3.39Å; A216-E220 PolarHBondContact O-N 2.72Å
217	R	91	Very high	91.9	Very high	41 Å²	41	61 Å²	61	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176.9	-73.9	-173.7	-79.6	151.4	-1.6	112.2	D212 S213 K214 E220 F221 M387 S388 F389	D212-R217 HydrophobicContact CB-CG 4.2Å; D212-R217 PolarHBondContact O-NE 3.13Å; D212-R217 VanDerWaalsContact O-NE 3.07Å; D212-R217 PolarHBondContact O-NH2 3.03Å; S213-R217 PolarHBondContact O-N 3.38Å; S213-R217 VanDerWaalsContact O-N 3.17Å; K214-R217 PolarHBondContact O-N 3.36Å; R217-E220 PolarHBondContact O-N 2.73Å; R217-F221 WeakPolarHBondContact O-CB 3.43Å; R217-F221 PolarHBondContact O-N 3.05Å; R217-M387 WeakPolarHBondContact O-CE 3.44Å; R217-S388 PolarHBondContact NH1-O 3.09Å; R217-F389 HydrophobicContact CB-CE1 4.12Å; R217-F389 HydrophobicContact CB-CZ 4.1Å; R217-F389 WeakPolarHBondContact O-CZ 3.47Å
218	E	93.6	Very high	92.3	Very high	22 Å²	22	61 Å²	61	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-44.7	178.1	-71.9	175.7	-176.6	0	0	112.5	R185 K214 A216 E220 F221 L222 L251 F389	R185-E218 IonicContact CZ-OE1 2.82Å; R185-E218 IonicContact CZ-OE2 3.93Å; R185-E218 VanDerWaalsContact NH1-CD 3.35Å; R185-E218 IonicContact NH1-OE1 2.79Å; R185-E218 PolarHBondContact NH1-OE1 3.46Å; R185-E218 IonicContact NH1-OE2 3.62Å; R185-E218 VanDerWaalsContact NH2-CD 3.31Å; R185-E218 IonicContact NH2-OE1 3.87Å; R185-E218 PolarHBondContact NH2-OE1 2.57Å; R185-E218 IonicContact NH2-OE2 3.94Å; R185-E218 PolarHBondContact NH2-OE2 3.36Å; K214-E218 WeakPolarHBondContact CE-OE1 3.47Å; K214-E218 HydrophobicContact CG-CG 4.41Å; K214-E218 WeakPolarHBondContact CG-OE1 3.33Å; K214-E218 VanDerWaalsContact O-CG 3.26Å; K214-E218 WeakPolarHBondContact O-CG 3.18Å; K214-E218 PolarHBondContact O-N 3.37Å; A216-E218 PolarHBondContact O-N 3.46Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E218-F221 PolarHBondContact O-N 3.28Å; E218-L222 VanDerWaalsContact O-CG 3.3Å; E218-L222 WeakPolarHBondContact O-CG 2.86Å; E218-L222 PolarHBondContact O-N 2.81Å; E218-L251 HydrophobicContact CB-CD1 4.09Å; E218-L251 HydrophobicContact CB-CD2 3.89Å; E218-L251 HydrophobicContact CG-CD1 4.21Å; E218-L251 HydrophobicContact CG-CD2 3.81Å; E218-F389 HydrophobicContact CG-CE1 4.18Å
219	R	94.5	Very high	92.7	Very high	168 Å²	168	58.3 Å²	58.3	63%	0.634	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-44.5	176.7	178.9	179.2	59.8	-155.9	-3.7	111.2	R215 A216 F221 L222 K223	R215-R219 WeakPolarHBondContact O-CB 3.3Å; R215-R219 PolarHBondContact O-N 3.02Å; R215-R219 VanDerWaalsContact O-N 3.09Å; A216-R219 PolarHBondContact O-N 2.71Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 2.74Å; R219-L222 PolarHBondContact O-N 2.8Å; R219-K223 VanDerWaalsContact O-CB 3.3Å; R219-K223 WeakPolarHBondContact O-CB 3.45Å; R219-K223 PolarHBondContact O-N 3.28Å
220	E	95.6	Very high	93.1	Very high	69 Å²	69	63.3 Å²	63.3	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-40.1	178.7	-176.3	62.1	-169.6	0	0	111.7	A216 R217 E218 K223 K224 M387	A216-E220 WeakPolarHBondContact O-CB 3.39Å; A216-E220 PolarHBondContact O-N 2.72Å; R217-E220 PolarHBondContact O-N 2.73Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E220-K223 PolarHBondContact O-N 2.9Å; E220-K224 HydrophobicContact CG-CD 4.28Å; E220-K224 WeakPolarHBondContact O-CB 3.37Å; E220-K224 WeakPolarHBondContact O-CG 3.24Å; E220-K224 PolarHBondContact O-N 3.01Å; E220-K224 WeakPolarHBondContact OE1-CE 3.46Å; E220-K224 IonicContact OE1-NZ 2.84Å; E220-K224 PolarHBondContact OE1-NZ 2.84Å; E220-M387 HydrophobicContact CB-CE 3.75Å; E220-M387 HydrophobicContact CG-CE 3.62Å
221	F	96.6	Very high	93.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-50.5	177.6	166.4	-99.4	0	0	0	111.1	R217 E218 R219 K223 K224 V225 I237 L248 L251 L252 I349 M387 F389	R217-F221 WeakPolarHBondContact O-CB 3.43Å; R217-F221 PolarHBondContact O-N 3.05Å; E218-F221 PolarHBondContact O-N 3.28Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 2.74Å; F221-K223 VanDerWaalsContact C-N 3.3Å; F221-K223 PolarHBondContact O-N 2.9Å; F221-K224 PolarHBondContact O-N 2.78Å; F221-V225 HydrophobicContact CD2-CG2 4.16Å; F221-V225 HydrophobicContact CE1-CG2 4.33Å; F221-V225 HydrophobicContact CE2-CG2 3.84Å; F221-V225 HydrophobicContact CZ-CG2 3.93Å; F221-V225 VanDerWaalsContact O-CG2 3.25Å; F221-V225 WeakPolarHBondContact O-CG2 3.22Å; F221-V225 PolarHBondContact O-N 2.78Å; F221-I237 HydrophobicContact CE2-CD1 3.83Å; F221-I237 HydrophobicContact CZ-CD1 3.74Å; F221-L248 HydrophobicContact CE1-CD2 4.35Å; F221-L248 HydrophobicContact CE2-CD2 4.49Å; F221-L248 HydrophobicContact CZ-CD2 4.29Å; F221-L251 HydrophobicContact CD1-CD2 3.64Å; F221-L251 HydrophobicContact CE1-CD2 4.08Å; F221-L252 HydrophobicContact CE1-CD1 4.2Å; F221-I349 HydrophobicContact CD2-CD1 3.89Å; F221-I349 HydrophobicContact CD2-CG2 4.24Å; F221-I349 HydrophobicContact CE2-CD1 3.89Å; F221-I349 HydrophobicContact CE2-CG2 4.38Å; F221-M387 HydrophobicContact CB-CE 3.82Å; F221-M387 HydrophobicContact CB-SD 3.96Å; F221-M387 HydrophobicContact CD2-SD 4.29Å; F221-F389 HydrophobicContact CB-CE2 3.64Å; F221-F389 HydrophobicContact CB-CZ 3.44Å; F221-F389 VanDerWaalsContact CB-CZ 3.44Å; F221-F389 AromaticContact CD2-CE2 3.93Å; F221-F389 HydrophobicContact CD2-CE2 3.93Å; F221-F389 HydrophobicContact CD2-CZ 4.39Å; F221-F389 AromaticContact CG-CE2 3.93Å; F221-F389 HydrophobicContact CG-CE2 3.93Å; F221-F389 AromaticContact CG-CZ 3.93Å; F221-F389 HydrophobicContact CG-CZ 3.93Å
222	L	97.4	Very high	94.2	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-41.4	178.4	-70.8	171.5	0	0	0	111.7	E218 R219 H226 L251 L252 Y255	E218-L222 VanDerWaalsContact O-CG 3.3Å; E218-L222 WeakPolarHBondContact O-CG 2.86Å; E218-L222 PolarHBondContact O-N 2.81Å; R219-L222 PolarHBondContact O-N 2.8Å; L222-H226 VanDerWaalsContact O-CB 3.26Å; L222-H226 WeakPolarHBondContact O-CB 3.47Å; L222-H226 PolarHBondContact O-N 2.74Å; L222-L251 HydrophobicContact CD1-CD1 3.8Å; L222-L251 HydrophobicContact CD1-CD2 4.48Å; L222-L251 HydrophobicContact CD1-CG 4.03Å; L222-L251 HydrophobicContact CD2-CD2 4.48Å; L222-L251 HydrophobicContact CD2-CG 4.05Å; L222-L251 HydrophobicContact CG-CD1 4.41Å; L222-L251 HydrophobicContact CG-CD2 4.24Å; L222-L251 HydrophobicContact CG-CG 4.09Å; L222-L252 HydrophobicContact CD2-CD1 3.94Å; L222-Y255 HydrophobicContact CB-CD2 4.13Å; L222-Y255 HydrophobicContact CB-CE2 4.11Å; L222-Y255 HydrophobicContact CB-CG 4.39Å; L222-Y255 HydrophobicContact CD1-CD2 3.6Å; L222-Y255 HydrophobicContact CD1-CE2 4.21Å; L222-Y255 HydrophobicContact CD1-CG 4.04Å; L222-Y255 HydrophobicContact CD2-CD1 3.98Å; L222-Y255 HydrophobicContact CD2-CD2 4.01Å; L222-Y255 HydrophobicContact CD2-CG 3.58Å; L222-Y255 HydrophobicContact CG-CD2 4.12Å; L222-Y255 HydrophobicContact CG-CG 4.2Å
223	K	97.2	Very high	94.9	Very high	100 Å²	100	59.1 Å²	59.1	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-54.5	176.1	-179.5	-175.3	172.1	-170.4	0	111.1	R219 E220 F221 V225 H226 E227	R219-K223 VanDerWaalsContact O-CB 3.3Å; R219-K223 WeakPolarHBondContact O-CB 3.45Å; R219-K223 PolarHBondContact O-N 3.28Å; E220-K223 PolarHBondContact O-N 2.9Å; F221-K223 VanDerWaalsContact C-N 3.3Å; F221-K223 PolarHBondContact O-N 2.9Å; K223-V225 PolarHBondContact O-N 2.96Å; K223-H226 PolarHBondContact O-N 3.34Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.37Å; K223-E227 WeakPolarHBondContact CG-OE1 3.21Å; K223-E227 IonicContact NZ-OE1 3.37Å; K223-E227 WeakPolarHBondContact O-CB 3.44Å; K223-E227 WeakPolarHBondContact O-CG 2.85Å; K223-E227 PolarHBondContact O-N 2.97Å
224	K	97.8	Very high	95.5	Very high	39 Å²	39	56.4 Å²	56.4	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-45	-179.4	-77.4	177	164.6	166.7	0	112.6	E220 F221 C228 M347 E385 M387	E220-K224 HydrophobicContact CG-CD 4.28Å; E220-K224 WeakPolarHBondContact O-CB 3.37Å; E220-K224 WeakPolarHBondContact O-CG 3.24Å; E220-K224 PolarHBondContact O-N 3.01Å; E220-K224 WeakPolarHBondContact OE1-CE 3.46Å; E220-K224 IonicContact OE1-NZ 2.84Å; E220-K224 PolarHBondContact OE1-NZ 2.84Å; F221-K224 PolarHBondContact O-N 2.78Å; K224-C228 WeakPolarHBondContact O-CB 3.24Å; K224-C228 PolarHBondContact O-N 3.03Å; K224-C228 VanDerWaalsContact O-N 3.09Å; K224-M347 HydrophobicContact CB-CE 4.15Å; K224-M347 HydrophobicContact CB-SD 4.35Å; K224-M347 VanDerWaalsContact O-CE 3.31Å; K224-M347 WeakPolarHBondContact O-CE 3.34Å; K224-E385 HydrophobicContact CD-CB 4.44Å; K224-E385 HydrophobicContact CD-CG 4.01Å; K224-E385 VanDerWaalsContact CE-OE2 3.22Å; K224-E385 WeakPolarHBondContact CE-OE2 3.24Å; K224-E385 IonicContact NZ-OE1 3.74Å; K224-E385 IonicContact NZ-OE2 3.28Å; K224-E385 PolarHBondContact NZ-OE2 3.24Å; K224-M387 HydrophobicContact CD-SD 4.02Å
225	V	98.3	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-48.7	177.6	175.8	0	0	0	0	110.2	F221 K223 C228 V229 V235 L252 W256 V320 I349	F221-V225 HydrophobicContact CD2-CG2 4.16Å; F221-V225 HydrophobicContact CE1-CG2 4.33Å; F221-V225 HydrophobicContact CE2-CG2 3.84Å; F221-V225 HydrophobicContact CZ-CG2 3.93Å; F221-V225 VanDerWaalsContact O-CG2 3.25Å; F221-V225 WeakPolarHBondContact O-CG2 3.22Å; F221-V225 PolarHBondContact O-N 2.78Å; K223-V225 PolarHBondContact O-N 2.96Å; V225-C228 PolarHBondContact O-N 2.77Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.18Å; V225-V229 VanDerWaalsContact O-N 3.08Å; V225-V235 HydrophobicContact CG1-CG2 4.44Å; V225-V235 HydrophobicContact CG2-CG1 4.32Å; V225-L252 HydrophobicContact CG1-CD1 4.05Å; V225-W256 HydrophobicContact CG1-CH2 3.83Å; V225-W256 HydrophobicContact CG1-CZ3 4.14Å; V225-V320 HydrophobicContact CG1-CG1 4.48Å; V225-V320 HydrophobicContact CG1-CG2 3.71Å; V225-I349 HydrophobicContact CG2-CD1 3.47Å; V225-I349 VanDerWaalsContact CG2-CD1 3.47Å
226	H	98.2	Very high	96.6	Very high	32 Å²	32	44.5 Å²	44.5	15%	0.148	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-52.5	-179.4	-168.1	167.7	0	0	0	111.7	L222 K223 C228 V229 E230 Y255	L222-H226 VanDerWaalsContact O-CB 3.26Å; L222-H226 WeakPolarHBondContact O-CB 3.47Å; L222-H226 PolarHBondContact O-N 2.74Å; K223-H226 PolarHBondContact O-N 3.34Å; H226-C228 PolarHBondContact O-N 3.27Å; H226-V229 WeakPolarHBondContact O-CG2 3.31Å; H226-V229 PolarHBondContact O-N 3.42Å; H226-V229 VanDerWaalsContact O-N 3.11Å; H226-E230 WeakPolarHBondContact O-CB 3.39Å; H226-E230 PolarHBondContact O-N 3.43Å; H226-Y255 HydrophobicContact CB-CE1 4.16Å; H226-Y255 AromaticContact ND1-CE1 3.61Å; H226-Y255 AromaticContact ND1-CZ 3.7Å; H226-Y255 PolarHBondContact ND1-OH 2.67Å
227	E	98	Very high	96.8	Very high	94 Å²	94	43.3 Å²	43.3	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-37.4	179.9	-72	174.7	169.2	0	0	112	K223 R231	K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.37Å; K223-E227 WeakPolarHBondContact CG-OE1 3.21Å; K223-E227 IonicContact NZ-OE1 3.37Å; K223-E227 WeakPolarHBondContact O-CB 3.44Å; K223-E227 WeakPolarHBondContact O-CG 2.85Å; K223-E227 PolarHBondContact O-N 2.97Å; E227-R231 WeakPolarHBondContact O-CG 3.42Å; E227-R231 PolarHBondContact O-N 3.43Å
228	C	98.3	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-38.7	177.7	-175.1	0	0	0	0	113.2	K224 V225 H226 R231 G233 V235 K345 M347	K224-C228 WeakPolarHBondContact O-CB 3.24Å; K224-C228 PolarHBondContact O-N 3.03Å; K224-C228 VanDerWaalsContact O-N 3.09Å; V225-C228 PolarHBondContact O-N 2.77Å; H226-C228 PolarHBondContact O-N 3.27Å; C228-R231 WeakPolarHBondContact O-CG 3.36Å; C228-R231 PolarHBondContact SG-NH2 3.1Å; C228-R231 VanDerWaalsContact SG-NH2 3.42Å; C228-G233 WeakPolarHBondContact O-CA 3.38Å; C228-G233 PolarHBondContact O-N 3.47Å; C228-V235 HydrophobicContact CB-CG2 3.67Å; C228-V235 VanDerWaalsContact SG-CG2 3.59Å; C228-K345 PolarHBondContact SG-O 3.26Å; C228-K345 VanDerWaalsContact SG-O 3.36Å; C228-M347 HydrophobicContact CB-CB 4.42Å; C228-M347 HydrophobicContact CB-CE 3.64Å
229	V	98.1	Very high	96.9	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	18%	0.184	C	C	.	.	H	α-helix	trans	-77.5	-31.2	179	-62	0	0	0	0	112.1	V225 H226 G232 V235 W256 V263 P318 V320	V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.18Å; V225-V229 VanDerWaalsContact O-N 3.08Å; H226-V229 WeakPolarHBondContact O-CG2 3.31Å; H226-V229 PolarHBondContact O-N 3.42Å; H226-V229 VanDerWaalsContact O-N 3.11Å; V229-G232 WeakPolarHBondContact O-CA 3.37Å; V229-G232 PolarHBondContact O-N 3.05Å; V229-V235 HydrophobicContact CG1-CG2 3.99Å; V229-W256 HydrophobicContact CG2-CH2 4.38Å; V229-V263 HydrophobicContact CB-CB 4.46Å; V229-V263 HydrophobicContact CB-CG1 3.94Å; V229-V263 HydrophobicContact CB-CG2 4.11Å; V229-V263 HydrophobicContact CG1-CG1 3.94Å; V229-V263 HydrophobicContact CG2-CG1 4.45Å; V229-V263 HydrophobicContact CG2-CG2 4.11Å; V229-P318 HydrophobicContact CB-CB 4Å; V229-P318 HydrophobicContact CG1-CB 4.4Å; V229-P318 WeakPolarHBondContact O-CB 3.33Å; V229-V320 HydrophobicContact CG1-CG2 3.73Å
230	E	96.9	Very high	96.4	Very high	150 Å²	150	36.9 Å²	36.9	70%	0.701	17%	0.173	S	C	*	.	H	α-helix	trans	-63.9	-39.3	176.2	-173.5	175.6	-153.7	0	0	111.7	H226 G232	H226-E230 WeakPolarHBondContact O-CB 3.39Å; H226-E230 PolarHBondContact O-N 3.43Å; E230-G232 PolarHBondContact O-N 2.99Å
231	R	96.4	Very high	95.3	Very high	121 Å²	121	33.9 Å²	33.9	46%	0.457	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	3.9	171.8	71.2	-177.6	-173.6	-149.1	5.5	114.5	E227 C228 K345	E227-R231 WeakPolarHBondContact O-CG 3.42Å; E227-R231 PolarHBondContact O-N 3.43Å; C228-R231 WeakPolarHBondContact O-CG 3.36Å; C228-R231 PolarHBondContact SG-NH2 3.1Å; C228-R231 VanDerWaalsContact SG-NH2 3.42Å; R231-K345 PolarHBondContact NE-O 2.82Å; R231-K345 PolarHBondContact NH2-O 2.81Å
232	G	96.6	Very high	94.4	Very high	33 Å²	33	34.1 Å²	34.1	34%	0.34	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	13.2	178.6	0	0	0	0	0	115.6	V229 E230	V229-G232 WeakPolarHBondContact O-CA 3.37Å; V229-G232 PolarHBondContact O-N 3.05Å; E230-G232 PolarHBondContact O-N 2.99Å
233	G	97.7	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.			trans	-85.7	161.4	178.7	0	0	0	0	0	114	C228 P318 K345	C228-G233 WeakPolarHBondContact O-CA 3.38Å; C228-G233 PolarHBondContact O-N 3.47Å; G233-P318 WeakPolarHBondContact O-CA 3.39Å; G233-P318 VanDerWaalsContact O-CB 3.26Å; G233-P318 WeakPolarHBondContact O-CB 3.41Å; G233-K345 WeakPolarHBondContact CA-O 3.26Å
234	K	98.5	Very high	92.8	Very high	21 Å²	21	30.3 Å²	30.3	9%	0.091	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138	173	-52.7	-176.3	-177.8	-67.4	0	110.7	Q315 G317 M319 W340 N346 M347	K234-Q315 PolarHBondContact NZ-O 2.97Å; K234-G317 PolarHBondContact NZ-O 3.04Å; K234-M319 CarbonylContact C-O 3.46Å; K234-M319 WeakPolarHBondContact CA-O 3.48Å; K234-M319 HydrophobicContact CB-CG 4.16Å; K234-M319 HydrophobicContact CD-CG 4.08Å; K234-M319 HydrophobicContact CD-SD 4.17Å; K234-M319 HydrophobicContact CG-CG 3.92Å; K234-M319 VanDerWaalsContact NZ-CE 3.28Å; K234-W340 HydrophobicContact CB-CD2 4.3Å; K234-W340 HydrophobicContact CB-CE3 4.08Å; K234-W340 HydrophobicContact CB-CZ3 4.24Å; K234-W340 HydrophobicContact CD-CD2 3.92Å; K234-W340 HydrophobicContact CD-CE3 4.46Å; K234-W340 HydrophobicContact CD-CG 4.25Å; K234-W340 HydrophobicContact CD-CH2 4.44Å; K234-W340 HydrophobicContact CD-CZ2 3.89Å; K234-N346 WeakPolarHBondContact CB-OD1 3.11Å; K234-N346 PolarHBondContact N-OD1 2.78Å; K234-N346 CarbonylContact O-C 3.5Å; K234-N346 VanDerWaalsContact O-CA 3.25Å; K234-N346 WeakPolarHBondContact O-CA 3.3Å; K234-N346 WeakPolarHBondContact O-CB 3.49Å; K234-M347 PolarHBondContact O-N 3.21Å
235	V	98.5	Very high	92.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118	177.1	-175.1	0	0	0	0	110	V225 C228 V229 I237 M319 V320 L321 M347 I349	V225-V235 HydrophobicContact CG1-CG2 4.44Å; V225-V235 HydrophobicContact CG2-CG1 4.32Å; C228-V235 HydrophobicContact CB-CG2 3.67Å; C228-V235 VanDerWaalsContact SG-CG2 3.59Å; V229-V235 HydrophobicContact CG1-CG2 3.99Å; V235-I237 HydrophobicContact CG1-CD1 4.35Å; V235-I237 HydrophobicContact CG1-CG1 3.93Å; V235-M319 PolarHBondContact N-O 3.03Å; V235-V320 HydrophobicContact CB-CG1 4.31Å; V235-V320 HydrophobicContact CB-CG2 4.25Å; V235-V320 CarbonylContact O-C 3.51Å; V235-V320 WeakPolarHBondContact O-CA 3.36Å; V235-L321 PolarHBondContact O-N 2.63Å; V235-M347 CarbonylContact C-O 3.59Å; V235-M347 WeakPolarHBondContact CA-O 3.32Å; V235-M347 HydrophobicContact CG1-CE 3.88Å; V235-M347 HydrophobicContact CG2-CE 3.86Å; V235-I349 HydrophobicContact CG1-CD1 4.06Å; V235-I349 HydrophobicContact CG1-CG1 4.19Å
236	L	97.9	Very high	91.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.7	171	-179.1	64.7	0	0	0	110	P238 L321 A323 L328 M336 F337 W340 M347 V348 I349	L236-P238 HydrophobicContact CD2-CG 4.41Å; L236-P238 HydrophobicContact CG-CG 4.17Å; L236-L321 HydrophobicContact CD1-CD2 4.21Å; L236-L321 HydrophobicContact CD1-CG 4.29Å; L236-A323 HydrophobicContact CD1-CB 3.74Å; L236-L328 HydrophobicContact CD2-CD2 4.22Å; L236-M336 HydrophobicContact CD1-CB 4.01Å; L236-M336 HydrophobicContact CD2-CB 4.42Å; L236-F337 HydrophobicContact CD2-CB 3.67Å; L236-F337 HydrophobicContact CD2-CD2 4.3Å; L236-W340 HydrophobicContact CB-CE3 4.03Å; L236-W340 HydrophobicContact CB-CZ3 4.09Å; L236-W340 HydrophobicContact CD1-CZ3 4.21Å; L236-M347 PolarHBondContact N-O 2.94Å; L236-V348 HydrophobicContact CB-CB 4.45Å; L236-V348 HydrophobicContact CB-CG2 4.12Å; L236-V348 HydrophobicContact CD2-CG2 4.08Å; L236-V348 HydrophobicContact CG-CG2 4.15Å; L236-V348 CarbonylContact O-C 3.55Å; L236-V348 WeakPolarHBondContact O-CA 3.25Å; L236-I349 PolarHBondContact O-N 3.45Å
237	I	96.8	Very high	91.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	92.9	176.8	-47.6	173.1	0	0	0	108.1	F221 V235 V239 L248 V320 L321 F322 A323 I349 P351	F221-I237 HydrophobicContact CE2-CD1 3.83Å; F221-I237 HydrophobicContact CZ-CD1 3.74Å; V235-I237 HydrophobicContact CG1-CD1 4.35Å; V235-I237 HydrophobicContact CG1-CG1 3.93Å; I237-V239 HydrophobicContact CG2-CG1 3.95Å; I237-V239 PolarHBondContact O-N 3.41Å; I237-L248 HydrophobicContact CG2-CD1 4.31Å; I237-V320 HydrophobicContact CD1-CG1 3.71Å; I237-V320 HydrophobicContact CG1-CG1 4.39Å; I237-L321 PolarHBondContact N-O 3.25Å; I237-F322 HydrophobicContact CB-CD1 3.83Å; I237-F322 HydrophobicContact CB-CE1 4.06Å; I237-F322 HydrophobicContact CD1-CD1 4.11Å; I237-F322 HydrophobicContact CD1-CE1 3.57Å; I237-F322 HydrophobicContact CD1-CE2 4.44Å; I237-F322 HydrophobicContact CD1-CZ 3.77Å; I237-F322 HydrophobicContact CG1-CE1 4.41Å; I237-F322 HydrophobicContact CG2-CD1 3.93Å; I237-F322 HydrophobicContact CG2-CE1 3.93Å; I237-F322 WeakPolarHBondContact O-CA 3.38Å; I237-A323 PolarHBondContact O-N 3.37Å; I237-I349 HydrophobicContact CG1-CB 4.45Å; I237-P351 HydrophobicContact CG2-CG 4.45Å
238	P	94.7	Very high	90.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	121.1	176.4	-23.6	38.4	0	0	0	109.9	L236 A323 G326 L328 V348 I349 M350 P351	L236-P238 HydrophobicContact CD2-CG 4.41Å; L236-P238 HydrophobicContact CG-CG 4.17Å; P238-A323 CarbonylContact C-O 3.59Å; P238-A323 VanDerWaalsContact CA-O 3.24Å; P238-A323 WeakPolarHBondContact CA-O 3.42Å; P238-G326 WeakPolarHBondContact CB-O 3.33Å; P238-L328 HydrophobicContact CB-CD2 4Å; P238-L328 HydrophobicContact CB-CG 3.96Å; P238-L328 HydrophobicContact CG-CD1 4.05Å; P238-L328 HydrophobicContact CG-CD2 3.46Å; P238-L328 VanDerWaalsContact CG-CD2 3.46Å; P238-L328 HydrophobicContact CG-CG 3.56Å; P238-V348 HydrophobicContact CG-CG2 3.9Å; P238-I349 VanDerWaalsContact CD-O 3.24Å; P238-I349 WeakPolarHBondContact CD-O 3.26Å; P238-M350 HydrophobicContact CB-SD 4.44Å; P238-M350 HydrophobicContact CG-CE 4.44Å; P238-M350 HydrophobicContact CG-SD 3.8Å; P238-P351 WeakPolarHBondContact O-CD 3.41Å; P238-P351 WeakPolarHBondContact O-CG 3.4Å
239	V	90.8	Very high	90.5	Very high	4 Å²	4	23 Å²	23	2%	0.024	11%	0.111	C	C	.	.			trans	-133.8	156.5	-179.4	-67	0	0	0	0	111.7	I237 A245 L248 F267 F322 A323 T324 P325 G326 P351	I237-V239 HydrophobicContact CG2-CG1 3.95Å; I237-V239 PolarHBondContact O-N 3.41Å; V239-A245 HydrophobicContact CB-CB 3.89Å; V239-A245 HydrophobicContact CG1-CB 4.37Å; V239-A245 HydrophobicContact CG2-CB 3.85Å; V239-L248 HydrophobicContact CG1-CD1 4.21Å; V239-F267 HydrophobicContact CG2-CE2 4.29Å; V239-F267 HydrophobicContact CG2-CZ 3.87Å; V239-F322 HydrophobicContact CG1-CD1 3.98Å; V239-F322 HydrophobicContact CG2-CB 4.03Å; V239-F322 HydrophobicContact CG2-CD1 4.32Å; V239-A323 PolarHBondContact N-O 2.98Å; V239-T324 WeakPolarHBondContact O-CA 3.43Å; V239-T324 WeakPolarHBondContact O-CG2 3.4Å; V239-P325 CarbonylContact O-C 3.53Å; V239-G326 VanDerWaalsContact C-CA 3.47Å; V239-G326 PolarHBondContact O-N 3.4Å; V239-G326 VanDerWaalsContact O-N 3.09Å; V239-P351 HydrophobicContact CG1-CG 4.17Å
240	F	83.8	Confident	90.1	Very high	91 Å²	91	23.4 Å²	23.4	40%	0.399	11%	0.112	S	C	.	.			trans	-75.4	155.5	162.3	-61.9	-72.3	0	0	0	109.9	L242 A245 M327	F240-L242 PolarHBondContact O-N 3.27Å; F240-A245 WeakPolarHBondContact O-CB 3.49Å; F240-M327 HydrophobicContact CE1-CG 4.5Å; F240-M327 HydrophobicContact CZ-CE 3.84Å; F240-M327 HydrophobicContact CZ-CG 3.76Å; F240-M327 HydrophobicContact CZ-SD 4.39Å
241	A	73.5	Confident	89.9	Confident	6 Å²	6	16.8 Å²	16.8	5%	0.05	8%	0.082	C	C	.	.	S	Bend	trans	-59.5	-31.6	-174.1	0	0	0	0	0	114.3	L101 Q246 L271 A275 T324	L101-A241 HydrophobicContact CD2-CB 4.41Å; A241-Q246 PolarHBondContact O-NE2 2.98Å; A241-L271 HydrophobicContact CB-CB 3.72Å; A241-L271 HydrophobicContact CB-CD1 4.08Å; A241-L271 HydrophobicContact CB-CD2 3.64Å; A241-L271 HydrophobicContact CB-CG 3.99Å; A241-A275 WeakPolarHBondContact O-CB 3.41Å; A241-T324 HydrophobicContact CB-CG2 4.34Å
242	L	76.7	Confident	89.8	Confident	6 Å²	6	11.1 Å²	11.1	3%	0.031	6%	0.06	C	C	.	.	S	Bend	trans	-131.9	163.6	-175	-77.9	123.3	0	0	0	112.4	F67 M97 F240 Q246 A275 Y279	F67-L242 HydrophobicContact CE2-CB 4.16Å; F67-L242 HydrophobicContact CZ-CB 4.05Å; M97-L242 HydrophobicContact CE-CD1 3.01Å; M97-L242 HydrophobicContact CE-CG 4.47Å; M97-L242 HydrophobicContact CG-CD1 4.23Å; M97-L242 HydrophobicContact SD-CD1 3.33Å; M97-L242 WeakPolarHBondContact SD-CD1 3.4Å; M97-L242 HydrophobicContact SD-CD2 4.29Å; M97-L242 HydrophobicContact SD-CG 4.45Å; F240-L242 PolarHBondContact O-N 3.27Å; L242-Q246 VanDerWaalsContact C-OE1 3.24Å; L242-Q246 VanDerWaalsContact CA-OE1 3.28Å; L242-A275 HydrophobicContact CD1-CB 4.33Å; L242-A275 HydrophobicContact CD2-CB 3.8Å; L242-A275 HydrophobicContact CG-CB 3.66Å; L242-Y279 HydrophobicContact CD2-CD2 4.22Å; L242-Y279 HydrophobicContact CD2-CE2 3.84Å
243	G	80	Confident	89.6	Confident	1 Å²	1	10 Å²	10	1%	0.01	5%	0.046	C	C	.	.	S	Bend	trans	83.9	-110.9	-178.3	0	0	0	0	0	111.3	H186 A245 Q246 Y279	H186-G243 PolarHBondContact NE2-O 3.49Å; G243-A245 PolarHBondContact O-N 3.29Å; G243-Q246 PolarHBondContact O-N 3.45Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.11Å; G243-Y279 WeakPolarHBondContact CA-OH 3.22Å; G243-Y279 PolarHBondContact N-OH 3.39Å
244	R	81.4	Confident	89.4	Confident	34 Å²	34	13.1 Å²	13.1	13%	0.128	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-25.4	-170.6	-174.1	63.5	89	176.9	10.1	113.9	D184 Q246 E247 L248 F389 S390	D184-R244 IonicContact OD1-CZ 3.87Å; D184-R244 IonicContact OD1-NH1 3.83Å; D184-R244 PolarHBondContact OD1-NH1 3.16Å; D184-R244 IonicContact OD2-CZ 3.51Å; D184-R244 IonicContact OD2-NH1 3.71Å; D184-R244 PolarHBondContact OD2-NH1 3.43Å; D184-R244 IonicContact OD2-NH2 3.03Å; R244-Q246 VanDerWaalsContact C-N 3.25Å; R244-Q246 PolarHBondContact O-N 2.92Å; R244-E247 WeakPolarHBondContact O-CB 3.47Å; R244-E247 PolarHBondContact O-N 3.31Å; R244-L248 HydrophobicContact CG-CD1 4.48Å; R244-L248 HydrophobicContact CG-CG 4.38Å; R244-L248 PolarHBondContact O-N 3.22Å; R244-L248 VanDerWaalsContact O-N 3.11Å; R244-F389 WeakPolarHBondContact CD-O 3.28Å; R244-F389 HydrophobicContact CG-CB 4.11Å; R244-F389 WeakPolarHBondContact CG-O 3.28Å; R244-F389 PolarHBondContact NE-O 3.36Å; R244-F389 PolarHBondContact NH2-O 3.3Å; R244-S390 PolarHBondContact NH2-O 3.34Å
245	A	86.1	Confident	89.3	Confident	2 Å²	2	13.5 Å²	13.5	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-44.6	174.4	0	0	0	0	0	111.9	V239 F240 G243 E247 L248 C249 F267	V239-A245 HydrophobicContact CB-CB 3.89Å; V239-A245 HydrophobicContact CG1-CB 4.37Å; V239-A245 HydrophobicContact CG2-CB 3.85Å; F240-A245 WeakPolarHBondContact O-CB 3.49Å; G243-A245 PolarHBondContact O-N 3.29Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 3.2Å; A245-L248 PolarHBondContact O-N 3.19Å; A245-C249 PolarHBondContact O-N 3.29Å; A245-C249 PolarHBondContact O-SG 3.15Å; A245-F267 HydrophobicContact CB-CE2 3.96Å; A245-F267 HydrophobicContact CB-CZ 3.84Å
246	Q	86.7	Confident	89.2	Confident	4 Å²	4	13.6 Å²	13.6	2%	0.019	7%	0.07	C	C	.	.	H	α-helix	trans	-68.1	-35.9	-178.7	-71.1	72.2	23.9	0	0	111.8	A241 L242 G243 R244 L248 C249 I250 Y279 F300	A241-Q246 PolarHBondContact O-NE2 2.98Å; L242-Q246 VanDerWaalsContact C-OE1 3.24Å; L242-Q246 VanDerWaalsContact CA-OE1 3.28Å; G243-Q246 PolarHBondContact O-N 3.45Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.11Å; R244-Q246 VanDerWaalsContact C-N 3.25Å; R244-Q246 PolarHBondContact O-N 2.92Å; Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3Å; Q246-C249 PolarHBondContact O-N 3.1Å; Q246-I250 WeakPolarHBondContact O-CB 3.47Å; Q246-I250 WeakPolarHBondContact O-CD1 3.25Å; Q246-I250 WeakPolarHBondContact O-CG1 3.35Å; Q246-I250 PolarHBondContact O-N 2.66Å; Q246-Y279 HydrophobicContact CB-CE2 4.12Å; Q246-Y279 HydrophobicContact CG-CD2 3.94Å; Q246-Y279 HydrophobicContact CG-CE2 3.44Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.44Å; Q246-F300 HydrophobicContact CB-CD1 4.28Å; Q246-F300 HydrophobicContact CB-CE1 4.07Å; Q246-F300 HydrophobicContact CG-CD1 4.18Å; Q246-F300 HydrophobicContact CG-CE1 4.27Å
247	E	87.1	Confident	89	Confident	4 Å²	4	17.6 Å²	17.6	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-45.8	172.2	-172.5	74	-176.6	0	0	111.5	R185 H186 K214 R244 A245 I250 L251	R185-E247 VanDerWaalsContact CB-OE2 3.28Å; R185-E247 WeakPolarHBondContact CB-OE2 3.2Å; R185-E247 VanDerWaalsContact CG-OE1 3.3Å; R185-E247 WeakPolarHBondContact CG-OE1 3.23Å; R185-E247 IonicContact CZ-OE1 3.92Å; R185-E247 PolarHBondContact N-OE1 2.87Å; R185-E247 PolarHBondContact N-OE2 3.46Å; R185-E247 IonicContact NH1-OE1 3.71Å; R185-E247 PolarHBondContact NH1-OE1 3.2Å; H186-E247 IonicContact CE1-OE2 2.72Å; H186-E247 IonicContact CG-OE2 3.71Å; H186-E247 IonicContact ND1-OE2 3.8Å; H186-E247 PolarHBondContact ND1-OE2 3.38Å; K214-E247 WeakPolarHBondContact CE-OE1 3.36Å; K214-E247 IonicContact NZ-OE1 2.76Å; K214-E247 PolarHBondContact NZ-OE1 3.32Å; R244-E247 WeakPolarHBondContact O-CB 3.47Å; R244-E247 PolarHBondContact O-N 3.31Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 3.2Å; E247-I250 PolarHBondContact O-N 3.31Å; E247-L251 WeakPolarHBondContact O-CB 3.06Å; E247-L251 PolarHBondContact O-N 2.84Å
248	L	91.6	Very high	89	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-37.7	-180	-64.1	177.6	0	0	0	111.7	F221 I237 V239 R244 A245 Q246 L251 L252 F322 P351 F389	F221-L248 HydrophobicContact CE1-CD2 4.35Å; F221-L248 HydrophobicContact CE2-CD2 4.49Å; F221-L248 HydrophobicContact CZ-CD2 4.29Å; I237-L248 HydrophobicContact CG2-CD1 4.31Å; V239-L248 HydrophobicContact CG1-CD1 4.21Å; R244-L248 HydrophobicContact CG-CD1 4.48Å; R244-L248 HydrophobicContact CG-CG 4.38Å; R244-L248 PolarHBondContact O-N 3.22Å; R244-L248 VanDerWaalsContact O-N 3.11Å; A245-L248 PolarHBondContact O-N 3.19Å; Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3Å; L248-L251 PolarHBondContact O-N 3.09Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 PolarHBondContact O-N 3.29Å; L248-F322 HydrophobicContact CB-CE1 3.74Å; L248-F322 HydrophobicContact CB-CZ 4.2Å; L248-F322 HydrophobicContact CD1-CE1 4.42Å; L248-P351 HydrophobicContact CD1-CB 3.94Å; L248-F389 HydrophobicContact CD2-CB 4.4Å; L248-F389 HydrophobicContact CD2-CD1 3.85Å; L248-F389 HydrophobicContact CD2-CD2 4.13Å; L248-F389 HydrophobicContact CD2-CE1 4.09Å; L248-F389 HydrophobicContact CD2-CE2 4.36Å; L248-F389 HydrophobicContact CD2-CG 3.87Å; L248-F389 HydrophobicContact CD2-CZ 4.34Å
249	C	91.6	Very high	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-47.4	173.7	-68.7	0	0	0	0	111.9	A245 Q246 L251 L252 E253 F267 F302 I305	A245-C249 PolarHBondContact O-N 3.29Å; A245-C249 PolarHBondContact O-SG 3.15Å; Q246-C249 PolarHBondContact O-N 3.1Å; C249-L251 VanDerWaalsContact C-N 3.28Å; C249-L251 PolarHBondContact O-N 3.06Å; C249-L252 PolarHBondContact O-N 2.99Å; C249-E253 WeakPolarHBondContact O-CB 3.46Å; C249-E253 PolarHBondContact O-N 3.07Å; C249-F267 VanDerWaalsContact SG-CD2 3.53Å; C249-F267 VanDerWaalsContact SG-CE2 3.54Å; C249-F302 HydrophobicContact CB-CD1 4.23Å; C249-F302 HydrophobicContact CB-CD2 4.29Å; C249-F302 HydrophobicContact CB-CE1 3.72Å; C249-F302 HydrophobicContact CB-CE2 3.77Å; C249-F302 HydrophobicContact CB-CZ 3.46Å; C249-F302 VanDerWaalsContact CB-CZ 3.46Å; C249-I305 HydrophobicContact CB-CD1 3.66Å
250	I	89.4	Confident	89.3	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.062	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-42.4	177.1	-68.4	163.8	0	0	0	110.7	H186 Q246 E247 S254 F300 F302	H186-I250 HydrophobicContact CB-CD1 4.39Å; Q246-I250 WeakPolarHBondContact O-CB 3.47Å; Q246-I250 WeakPolarHBondContact O-CD1 3.25Å; Q246-I250 WeakPolarHBondContact O-CG1 3.35Å; Q246-I250 PolarHBondContact O-N 2.66Å; E247-I250 PolarHBondContact O-N 3.31Å; I250-S254 WeakPolarHBondContact O-CB 3.36Å; I250-S254 PolarHBondContact O-N 3.17Å; I250-S254 VanDerWaalsContact O-N 3.16Å; I250-S254 PolarHBondContact O-OG 2.88Å; I250-F300 HydrophobicContact CD1-CE1 4.27Å; I250-F302 HydrophobicContact CG1-CE1 3.77Å; I250-F302 HydrophobicContact CG1-CZ 4.16Å
251	L	92.3	Very high	89.8	Confident	12 Å²	12	32 Å²	32	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-47.1	178.4	-178.9	66.9	0	0	0	111.6	E218 F221 L222 E247 L248 C249 Y255	E218-L251 HydrophobicContact CB-CD1 4.09Å; E218-L251 HydrophobicContact CB-CD2 3.89Å; E218-L251 HydrophobicContact CG-CD1 4.21Å; E218-L251 HydrophobicContact CG-CD2 3.81Å; F221-L251 HydrophobicContact CD1-CD2 3.64Å; F221-L251 HydrophobicContact CE1-CD2 4.08Å; L222-L251 HydrophobicContact CD1-CD1 3.8Å; L222-L251 HydrophobicContact CD1-CD2 4.48Å; L222-L251 HydrophobicContact CD1-CG 4.03Å; L222-L251 HydrophobicContact CD2-CD2 4.48Å; L222-L251 HydrophobicContact CD2-CG 4.05Å; L222-L251 HydrophobicContact CG-CD1 4.41Å; L222-L251 HydrophobicContact CG-CD2 4.24Å; L222-L251 HydrophobicContact CG-CG 4.09Å; E247-L251 WeakPolarHBondContact O-CB 3.06Å; E247-L251 PolarHBondContact O-N 2.84Å; L248-L251 PolarHBondContact O-N 3.09Å; C249-L251 VanDerWaalsContact C-N 3.28Å; C249-L251 PolarHBondContact O-N 3.06Å; L251-Y255 WeakPolarHBondContact O-CB 3.45Å; L251-Y255 PolarHBondContact O-N 3.2Å
252	L	94.6	Very high	90.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-71.1	-43.2	-177.2	-160.9	69.8	0	0	0	111.9	F221 L222 V225 L248 C249 S254 Y255 W256 V265 V320 F322	F221-L252 HydrophobicContact CE1-CD1 4.2Å; L222-L252 HydrophobicContact CD2-CD1 3.94Å; V225-L252 HydrophobicContact CG1-CD1 4.05Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 PolarHBondContact O-N 3.29Å; C249-L252 PolarHBondContact O-N 2.99Å; L252-S254 PolarHBondContact O-N 3.32Å; L252-Y255 WeakPolarHBondContact O-CB 3.15Å; L252-Y255 PolarHBondContact O-N 3.32Å; L252-Y255 VanDerWaalsContact O-N 3.12Å; L252-W256 HydrophobicContact CD1-CE3 3.62Å; L252-W256 HydrophobicContact CD1-CH2 4.08Å; L252-W256 HydrophobicContact CD1-CZ3 3.24Å; L252-W256 HydrophobicContact CD2-CZ3 4.36Å; L252-W256 HydrophobicContact CG-CD2 4.42Å; L252-W256 HydrophobicContact CG-CE3 3.68Å; L252-W256 HydrophobicContact CG-CH2 4.47Å; L252-W256 HydrophobicContact CG-CZ3 3.74Å; L252-W256 WeakPolarHBondContact O-CB 3.37Å; L252-W256 PolarHBondContact O-N 3.41Å; L252-V265 HydrophobicContact CD2-CG1 3.67Å; L252-V265 HydrophobicContact CD2-CG2 4.1Å; L252-V320 HydrophobicContact CD2-CB 4.46Å; L252-V320 HydrophobicContact CD2-CG1 3.9Å; L252-F322 HydrophobicContact CB-CZ 4.44Å; L252-F322 HydrophobicContact CD2-CE2 3.65Å; L252-F322 HydrophobicContact CD2-CZ 3.82Å
253	E	92.8	Very high	91.9	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-54.3	-50.8	175.3	177.9	69.1	-161.9	0	0	111.2	C249 Y255 W256 E257 F302 R303 H304	C249-E253 WeakPolarHBondContact O-CB 3.46Å; C249-E253 PolarHBondContact O-N 3.07Å; E253-Y255 VanDerWaalsContact C-N 3.26Å; E253-Y255 PolarHBondContact O-N 3.16Å; E253-W256 PolarHBondContact O-N 2.94Å; E253-E257 PolarHBondContact O-N 3.49Å; E253-F302 HydrophobicContact CB-CD1 4Å; E253-F302 HydrophobicContact CG-CD1 4.08Å; E253-R303 VanDerWaalsContact CD-N 3.31Å; E253-R303 WeakPolarHBondContact OE1-CB 3.47Å; E253-R303 PolarHBondContact OE1-N 3.18Å; E253-R303 PolarHBondContact OE2-N 2.99Å; E253-H304 VanDerWaalsContact CD-ND1 3.32Å; E253-H304 IonicContact OE1-CE1 3.23Å; E253-H304 IonicContact OE1-CG 3.88Å; E253-H304 PolarHBondContact OE1-N 2.92Å; E253-H304 IonicContact OE1-ND1 2.97Å; E253-H304 PolarHBondContact OE1-ND1 3.42Å; E253-H304 WeakPolarHBondContact OE2-CB 3.17Å; E253-H304 IonicContact OE2-CG 2.68Å; E253-H304 PolarHBondContact OE2-N 2.91Å; E253-H304 IonicContact OE2-ND1 2.96Å
254	S	91.8	Very high	92.7	Very high	66 Å²	66	42.7 Å²	42.7	46%	0.462	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-33.8	179.7	-54.9	0	0	0	0	112	I250 L252 R258	I250-S254 WeakPolarHBondContact O-CB 3.36Å; I250-S254 PolarHBondContact O-N 3.17Å; I250-S254 VanDerWaalsContact O-N 3.16Å; I250-S254 PolarHBondContact O-OG 2.88Å; L252-S254 PolarHBondContact O-N 3.32Å; S254-R258 WeakPolarHBondContact O-CB 3.28Å; S254-R258 PolarHBondContact O-N 3.28Å
255	Y	96.4	Very high	93.4	Very high	29 Å²	29	41.1 Å²	41.1	11%	0.114	20%	0.2	C	C	.	.	H	α-helix	trans	-73.7	-42.1	177.7	-171.8	-98.7	0	0	0	112	L222 H226 L251 L252 E253 E257 R258 M259 L261	L222-Y255 HydrophobicContact CB-CD2 4.13Å; L222-Y255 HydrophobicContact CB-CE2 4.11Å; L222-Y255 HydrophobicContact CB-CG 4.39Å; L222-Y255 HydrophobicContact CD1-CD2 3.6Å; L222-Y255 HydrophobicContact CD1-CE2 4.21Å; L222-Y255 HydrophobicContact CD1-CG 4.04Å; L222-Y255 HydrophobicContact CD2-CD1 3.98Å; L222-Y255 HydrophobicContact CD2-CD2 4.01Å; L222-Y255 HydrophobicContact CD2-CG 3.58Å; L222-Y255 HydrophobicContact CG-CD2 4.12Å; L222-Y255 HydrophobicContact CG-CG 4.2Å; H226-Y255 HydrophobicContact CB-CE1 4.16Å; H226-Y255 AromaticContact ND1-CE1 3.61Å; H226-Y255 AromaticContact ND1-CZ 3.7Å; H226-Y255 PolarHBondContact ND1-OH 2.67Å; L251-Y255 WeakPolarHBondContact O-CB 3.45Å; L251-Y255 PolarHBondContact O-N 3.2Å; L252-Y255 WeakPolarHBondContact O-CB 3.15Å; L252-Y255 PolarHBondContact O-N 3.32Å; L252-Y255 VanDerWaalsContact O-N 3.12Å; E253-Y255 VanDerWaalsContact C-N 3.26Å; E253-Y255 PolarHBondContact O-N 3.16Å; Y255-E257 VanDerWaalsContact C-N 3.34Å; Y255-E257 PolarHBondContact O-N 3.16Å; Y255-R258 VanDerWaalsContact CD2-NH2 3.26Å; Y255-R258 PolarHBondContact O-N 3.34Å; Y255-M259 HydrophobicContact CD1-CG 3.98Å; Y255-M259 HydrophobicContact CD2-CG 4.1Å; Y255-M259 HydrophobicContact CE1-CB 4.38Å; Y255-M259 HydrophobicContact CE1-CG 3.64Å; Y255-M259 HydrophobicContact CE2-CG 3.77Å; Y255-M259 HydrophobicContact CE2-SD 4.33Å; Y255-M259 HydrophobicContact CG-CG 4.21Å; Y255-M259 WeakPolarHBondContact O-CB 3.41Å; Y255-M259 WeakPolarHBondContact O-CG 3.43Å; Y255-M259 PolarHBondContact O-N 3.17Å; Y255-L261 HydrophobicContact CD1-CD1 4.12Å; Y255-L261 HydrophobicContact CE1-CD1 3.97Å
256	W	96.7	Very high	93.8	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-45.6	176	-110.3	-117.1	0	0	0	111.4	V225 V229 L252 E253 N260 L261 V263 V265 H304 V320	V225-W256 HydrophobicContact CG1-CH2 3.83Å; V225-W256 HydrophobicContact CG1-CZ3 4.14Å; V229-W256 HydrophobicContact CG2-CH2 4.38Å; L252-W256 HydrophobicContact CD1-CE3 3.62Å; L252-W256 HydrophobicContact CD1-CH2 4.08Å; L252-W256 HydrophobicContact CD1-CZ3 3.24Å; L252-W256 HydrophobicContact CD2-CZ3 4.36Å; L252-W256 HydrophobicContact CG-CD2 4.42Å; L252-W256 HydrophobicContact CG-CE3 3.68Å; L252-W256 HydrophobicContact CG-CH2 4.47Å; L252-W256 HydrophobicContact CG-CZ3 3.74Å; L252-W256 WeakPolarHBondContact O-CB 3.37Å; L252-W256 PolarHBondContact O-N 3.41Å; E253-W256 PolarHBondContact O-N 2.94Å; W256-N260 WeakPolarHBondContact O-CA 3.3Å; W256-N260 PolarHBondContact O-N 3.41Å; W256-L261 HydrophobicContact CD2-CB 3.98Å; W256-L261 HydrophobicContact CD2-CD1 3.91Å; W256-L261 HydrophobicContact CE3-CD1 3.74Å; W256-L261 HydrophobicContact CG-CB 4Å; W256-L261 HydrophobicContact CH2-CD1 3.97Å; W256-L261 HydrophobicContact CZ2-CB 4.48Å; W256-L261 HydrophobicContact CZ2-CD1 4.17Å; W256-L261 HydrophobicContact CZ3-CD1 3.74Å; W256-L261 PolarHBondContact O-N 3.18Å; W256-L261 VanDerWaalsContact O-N 3.14Å; W256-V263 HydrophobicContact CZ2-CB 4.11Å; W256-V263 HydrophobicContact CZ2-CG1 4.44Å; W256-V263 PolarHBondContact NE1-O 2.98Å; W256-V265 HydrophobicContact CD2-CG2 4.03Å; W256-V265 VanDerWaalsContact CE2-CG2 3.4Å; W256-V265 HydrophobicContact CG-CG2 4.4Å; W256-V265 HydrophobicContact CH2-CG2 4.44Å; W256-V265 HydrophobicContact CZ2-CG2 3.63Å; W256-H304 HydrophobicContact CB-CB 4.05Å; W256-H304 HydrophobicContact CG-CB 4.27Å; W256-V320 HydrophobicContact CH2-CG2 3.92Å; W256-V320 HydrophobicContact CZ2-CG2 4.04Å
257	E	94.4	Very high	94	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-48.9	176.4	-173.3	165.2	-147.2	0	0	111	E253 Y255 M259 N260 R297 R303	E253-E257 PolarHBondContact O-N 3.49Å; Y255-E257 VanDerWaalsContact C-N 3.34Å; Y255-E257 PolarHBondContact O-N 3.16Å; E257-M259 PolarHBondContact O-N 3.07Å; E257-N260 PolarHBondContact O-N 3.46Å; E257-R297 IonicContact OE2-NH1 3.39Å; E257-R297 IonicContact OE2-NH2 3.22Å; E257-R303 IonicContact OE1-NH1 3.32Å
258	R	96.2	Very high	94	Very high	181 Å²	181	42.5 Å²	42.5	68%	0.683	21%	0.206	S	C	*	.	H	α-helix	trans	-67	-38.4	-177.8	-174.7	179.2	66.5	-167.6	-1.2	113.7	S254 Y255 N260	S254-R258 WeakPolarHBondContact O-CB 3.28Å; S254-R258 PolarHBondContact O-N 3.28Å; Y255-R258 VanDerWaalsContact CD2-NH2 3.26Å; Y255-R258 PolarHBondContact O-N 3.34Å; R258-N260 VanDerWaalsContact C-N 3.34Å
259	M	96.6	Very high	93.2	Very high	85 Å²	85	48.2 Å²	48.2	42%	0.419	23%	0.233	S	C	.	.	H	α-helix	trans	-89.8	-2.2	-178.7	-61.6	-56.6	-64	0	0	112.6	Y255 E257 L261	Y255-M259 HydrophobicContact CD1-CG 3.98Å; Y255-M259 HydrophobicContact CD2-CG 4.1Å; Y255-M259 HydrophobicContact CE1-CB 4.38Å; Y255-M259 HydrophobicContact CE1-CG 3.64Å; Y255-M259 HydrophobicContact CE2-CG 3.77Å; Y255-M259 HydrophobicContact CE2-SD 4.33Å; Y255-M259 HydrophobicContact CG-CG 4.21Å; Y255-M259 WeakPolarHBondContact O-CB 3.41Å; Y255-M259 WeakPolarHBondContact O-CG 3.43Å; Y255-M259 PolarHBondContact O-N 3.17Å; E257-M259 PolarHBondContact O-N 3.07Å; M259-L261 HydrophobicContact CB-CD1 4.17Å; M259-L261 HydrophobicContact CB-CD2 4.47Å; M259-L261 HydrophobicContact CB-CG 3.83Å; M259-L261 PolarHBondContact O-N 2.84Å
260	N	95.3	Very high	92.2	Very high	107 Å²	107	49.5 Å²	49.5	57%	0.572	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	38.2	-176	-169.3	34.6	0	0	0	113.3	W256 E257 R258 K262	W256-N260 WeakPolarHBondContact O-CA 3.3Å; W256-N260 PolarHBondContact O-N 3.41Å; E257-N260 PolarHBondContact O-N 3.46Å; R258-N260 VanDerWaalsContact C-N 3.34Å; N260-K262 VanDerWaalsContact OD1-CE 3.23Å; N260-K262 WeakPolarHBondContact OD1-CE 3.21Å; N260-K262 PolarHBondContact OD1-NZ 3.02Å
261	L	95.8	Very high	91.2	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.131	25%	0.246	C	C	.	.			trans	-72.1	138.3	179.8	-66.5	174.8	0	0	0	110.7	Y255 W256 M259	Y255-L261 HydrophobicContact CD1-CD1 4.12Å; Y255-L261 HydrophobicContact CE1-CD1 3.97Å; W256-L261 HydrophobicContact CD2-CB 3.98Å; W256-L261 HydrophobicContact CD2-CD1 3.91Å; W256-L261 HydrophobicContact CE3-CD1 3.74Å; W256-L261 HydrophobicContact CG-CB 4Å; W256-L261 HydrophobicContact CH2-CD1 3.97Å; W256-L261 HydrophobicContact CZ2-CB 4.48Å; W256-L261 HydrophobicContact CZ2-CD1 4.17Å; W256-L261 HydrophobicContact CZ3-CD1 3.74Å; W256-L261 PolarHBondContact O-N 3.18Å; W256-L261 VanDerWaalsContact O-N 3.14Å; M259-L261 HydrophobicContact CB-CD1 4.17Å; M259-L261 HydrophobicContact CB-CD2 4.47Å; M259-L261 HydrophobicContact CB-CG 3.83Å; M259-L261 PolarHBondContact O-N 2.84Å
262	K	95.3	Very high	89.9	Confident	162 Å²	162	49.9 Å²	49.9	70%	0.704	25%	0.251	S	S	*	.			trans	-107.2	-3	179.7	-55.7	-59.2	172.8	-166	0	113.8	N260	N260-K262 VanDerWaalsContact OD1-CE 3.23Å; N260-K262 WeakPolarHBondContact OD1-CE 3.21Å; N260-K262 PolarHBondContact OD1-NZ 3.02Å
263	V	97.4	Very high	88.8	Confident	27 Å²	27	54.6 Å²	54.6	16%	0.164	27%	0.273	C	S	.	.	S	Bend	trans	-61.3	130.5	176.7	177.1	0	0	0	0	108.8	V229 W256 V265 P318	V229-V263 HydrophobicContact CB-CB 4.46Å; V229-V263 HydrophobicContact CB-CG1 3.94Å; V229-V263 HydrophobicContact CB-CG2 4.11Å; V229-V263 HydrophobicContact CG1-CG1 3.94Å; V229-V263 HydrophobicContact CG2-CG1 4.45Å; V229-V263 HydrophobicContact CG2-CG2 4.11Å; W256-V263 HydrophobicContact CZ2-CB 4.11Å; W256-V263 HydrophobicContact CZ2-CG1 4.44Å; W256-V263 PolarHBondContact NE1-O 2.98Å; V263-V265 PolarHBondContact O-N 3.33Å; V263-P318 HydrophobicContact CG1-CB 4.01Å; V263-P318 HydrophobicContact CG1-CG 4.18Å; V263-P318 HydrophobicContact CG2-CG 4.12Å
264	P	97	Very high	88	Confident	47 Å²	47	60.5 Å²	60.5	31%	0.305	29%	0.294	S	S	.	.			trans	-67.5	136.1	-177.8	27.2	-34.9	0	0	0	111.5	Y266 P318 M319 V320	P264-Y266 HydrophobicContact CB-CD2 4.44Å; P264-Y266 HydrophobicContact CB-CE1 4.44Å; P264-Y266 HydrophobicContact CB-CE2 3.62Å; P264-Y266 WeakPolarHBondContact CB-OH 3.19Å; P264-Y266 HydrophobicContact CG-CE2 3.99Å; P264-P318 WeakPolarHBondContact CD-O 3.47Å; P264-M319 HydrophobicContact CG-CB 3.97Å; P264-M319 WeakPolarHBondContact O-CA 3.49Å; P264-V320 PolarHBondContact O-N 3.16Å
265	V	96.5	Very high	87.1	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.6	171.8	-174.5	0	0	0	0	108.1	L252 W256 V263 H304 I305 S306 V320 F322	L252-V265 HydrophobicContact CD2-CG1 3.67Å; L252-V265 HydrophobicContact CD2-CG2 4.1Å; W256-V265 HydrophobicContact CD2-CG2 4.03Å; W256-V265 VanDerWaalsContact CE2-CG2 3.4Å; W256-V265 HydrophobicContact CG-CG2 4.4Å; W256-V265 HydrophobicContact CH2-CG2 4.44Å; W256-V265 HydrophobicContact CZ2-CG2 3.63Å; V263-V265 PolarHBondContact O-N 3.33Å; V265-H304 WeakPolarHBondContact CB-O 2.92Å; V265-I305 HydrophobicContact CB-CG1 4.17Å; V265-I305 HydrophobicContact CG1-CB 4.37Å; V265-I305 HydrophobicContact CG1-CD1 4.28Å; V265-I305 HydrophobicContact CG1-CG1 3.78Å; V265-I305 HydrophobicContact CG1-CG2 4.18Å; V265-I305 WeakPolarHBondContact O-CA 3.32Å; V265-S306 PolarHBondContact O-N 2.97Å; V265-V320 CarbonylContact C-O 3.56Å; V265-V320 WeakPolarHBondContact CA-O 3.41Å; V265-V320 HydrophobicContact CB-CB 4.43Å; V265-V320 HydrophobicContact CG1-CB 4.08Å; V265-V320 HydrophobicContact CG1-CG1 4.28Å; V265-V320 HydrophobicContact CG2-CB 4.17Å; V265-V320 HydrophobicContact CG2-CG2 4.42Å; V265-F322 HydrophobicContact CG1-CD2 4.23Å; V265-F322 HydrophobicContact CG1-CE2 3.95Å
266	Y	94.7	Very high	86.1	Confident	26 Å²	26	56.9 Å²	56.9	10%	0.102	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.7	-178.6	-57.7	-73.7	0	0	0	112.2	P264 S306 F308 F312 M319 V320 L321 F322	P264-Y266 HydrophobicContact CB-CD2 4.44Å; P264-Y266 HydrophobicContact CB-CE1 4.44Å; P264-Y266 HydrophobicContact CB-CE2 3.62Å; P264-Y266 WeakPolarHBondContact CB-OH 3.19Å; P264-Y266 HydrophobicContact CG-CE2 3.99Å; Y266-S306 CarbonylContact C-O 3.57Å; Y266-S306 WeakPolarHBondContact CA-O 3.44Å; Y266-F308 HydrophobicContact CD2-CD2 4.01Å; Y266-F308 HydrophobicContact CD2-CE2 4.49Å; Y266-F308 AromaticContact CG-CD2 3.86Å; Y266-F308 HydrophobicContact CG-CD2 3.86Å; Y266-F312 HydrophobicContact CD1-CD2 4.07Å; Y266-F312 HydrophobicContact CD1-CE2 4.38Å; Y266-F312 AromaticContact CE1-CD2 3.59Å; Y266-F312 HydrophobicContact CE1-CD2 3.59Å; Y266-F312 AromaticContact CE1-CE2 3.81Å; Y266-F312 HydrophobicContact CE1-CE2 3.81Å; Y266-F312 HydrophobicContact CE2-CD2 4.47Å; Y266-F312 AromaticContact CZ-CD2 3.82Å; Y266-M319 HydrophobicContact CD2-CB 4.32Å; Y266-M319 HydrophobicContact CE2-CB 4.15Å; Y266-M319 HydrophobicContact CE2-CE 4.3Å; Y266-M319 HydrophobicContact CE2-SD 4.34Å; Y266-V320 PolarHBondContact N-O 2.92Å; Y266-L321 WeakPolarHBondContact O-CA 3.25Å; Y266-F322 PolarHBondContact O-N 3.06Å
267	F	91.7	Very high	85.4	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.1	167.5	-155.2	-63.6	0	0	0	109.4	V239 A245 C249 Q269 A272 I305 S306 F308 F322 T324	V239-F267 HydrophobicContact CG2-CE2 4.29Å; V239-F267 HydrophobicContact CG2-CZ 3.87Å; A245-F267 HydrophobicContact CB-CE2 3.96Å; A245-F267 HydrophobicContact CB-CZ 3.84Å; C249-F267 VanDerWaalsContact SG-CD2 3.53Å; C249-F267 VanDerWaalsContact SG-CE2 3.54Å; F267-Q269 PolarHBondContact O-N 3.42Å; F267-A272 HydrophobicContact CB-CB 3.83Å; F267-A272 HydrophobicContact CD1-CB 3.21Å; F267-A272 HydrophobicContact CD2-CB 4.27Å; F267-A272 HydrophobicContact CE1-CB 3.74Å; F267-A272 HydrophobicContact CG-CB 3.51Å; F267-A272 HydrophobicContact CZ-CB 4.46Å; F267-I305 HydrophobicContact CB-CG2 3.96Å; F267-S306 PolarHBondContact N-O 3.09Å; F267-F308 WeakPolarHBondContact O-CB 3.45Å; F267-F308 PolarHBondContact O-N 3.37Å; F267-F322 WeakPolarHBondContact CA-O 2.87Å; F267-F322 HydrophobicContact CB-CB 4.38Å; F267-F322 HydrophobicContact CD1-CB 4.38Å; F267-F322 HydrophobicContact CD2-CB 3.46Å; F267-F322 VanDerWaalsContact CD2-CB 3.46Å; F267-F322 HydrophobicContact CD2-CD2 4.17Å; F267-F322 AromaticContact CD2-CG 3.95Å; F267-F322 HydrophobicContact CD2-CG 3.95Å; F267-F322 HydrophobicContact CE2-CB 3.75Å; F267-F322 HydrophobicContact CE2-CG 4.2Å; F267-F322 HydrophobicContact CG-CB 3.82Å; F267-F322 HydrophobicContact CZ-CB 4.34Å; F267-T324 HydrophobicContact CE1-CG2 4.47Å
268	S	86.6	Confident	84.9	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.035	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	127.3	174.5	-68.6	0	0	0	0	113	F322 A323 Q332	S268-F322 PolarHBondContact N-O 3.37Å; S268-F322 PolarHBondContact OG-O 2.9Å; S268-A323 VanDerWaalsContact OG-CA 3.28Å; S268-A323 WeakPolarHBondContact OG-CA 3.33Å; S268-Q332 WeakPolarHBondContact OG-CG 3.33Å
269	Q	74.7	Confident	84.1	Confident	121 Å²	121	49.6 Å²	49.6	57%	0.565	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	151.2	-177.1	-165.4	178.4	15.1	0	0	112.5	F267 L271	F267-Q269 PolarHBondContact O-N 3.42Å; Q269-L271 VanDerWaalsContact C-N 3.34Å; Q269-L271 PolarHBondContact O-N 2.95Å; Q269-L271 VanDerWaalsContact O-N 3.12Å
270	G	70.3	Confident	83.4	Confident	27 Å²	27	49 Å²	49	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-59.8	175	0	0	0	0	0	113.5	R274	G270-R274 WeakPolarHBondContact O-CB 3.41Å; G270-R274 WeakPolarHBondContact O-CD 3.28Å; G270-R274 WeakPolarHBondContact O-CG 2.96Å; G270-R274 PolarHBondContact O-N 3.47Å
271	L	67.8	Low	82.9	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-74.8	-31.5	-176.2	-78.8	162.2	0	0	0	113	V100 A241 Q269 A275 T324	V100-L271 HydrophobicContact CG1-CD2 3.95Å; A241-L271 HydrophobicContact CB-CB 3.72Å; A241-L271 HydrophobicContact CB-CD1 4.08Å; A241-L271 HydrophobicContact CB-CD2 3.64Å; A241-L271 HydrophobicContact CB-CG 3.99Å; Q269-L271 VanDerWaalsContact C-N 3.34Å; Q269-L271 PolarHBondContact O-N 2.95Å; Q269-L271 VanDerWaalsContact O-N 3.12Å; L271-A275 WeakPolarHBondContact O-CB 3.38Å; L271-A275 PolarHBondContact O-N 3.3Å; L271-T324 HydrophobicContact CD1-CG2 4.01Å
272	A	65.1	Low	82.3	Confident	19 Å²	19	50 Å²	50	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-52.6	178	0	0	0	0	0	112.4	F267 A275 T276	F267-A272 HydrophobicContact CB-CB 3.83Å; F267-A272 HydrophobicContact CD1-CB 3.21Å; F267-A272 HydrophobicContact CD2-CB 4.27Å; F267-A272 HydrophobicContact CE1-CB 3.74Å; F267-A272 HydrophobicContact CG-CB 3.51Å; F267-A272 HydrophobicContact CZ-CB 4.46Å; A272-A275 WeakPolarHBondContact O-CB 3.46Å; A272-A275 PolarHBondContact O-N 3.13Å; A272-A275 VanDerWaalsContact O-N 3.13Å; A272-T276 PolarHBondContact O-N 2.99Å
273	E	71.9	Confident	81.7	Confident	100 Å²	100	43.8 Å²	43.8	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-47.6	179.9	-69.5	170.9	-176.5	0	0	110.3	A275 T276 D277	E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 2.91Å; E273-T276 WeakPolarHBondContact O-CB 3.42Å; E273-T276 PolarHBondContact O-N 3.18Å; E273-D277 PolarHBondContact O-N 3.46Å
274	R	76.4	Confident	81	Confident	132 Å²	132	46.8 Å²	46.8	50%	0.498	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-43.9	173.7	-75.1	177.9	-176.5	-177.5	-0.1	111.4	G270 T276 D277 Y278	G270-R274 WeakPolarHBondContact O-CB 3.41Å; G270-R274 WeakPolarHBondContact O-CD 3.28Å; G270-R274 WeakPolarHBondContact O-CG 2.96Å; G270-R274 PolarHBondContact O-N 3.47Å; R274-T276 VanDerWaalsContact C-N 3.35Å; R274-T276 PolarHBondContact O-N 2.94Å; R274-D277 PolarHBondContact O-N 2.75Å; R274-Y278 HydrophobicContact CB-CD2 4.27Å; R274-Y278 HydrophobicContact CB-CE2 4.11Å; R274-Y278 WeakPolarHBondContact O-CD2 3.3Å; R274-Y278 PolarHBondContact O-N 2.79Å
275	A	73.3	Confident	80.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-46.1	179	0	0	0	0	0	111.6	A241 L242 L271 A272 E273 D277 Y278 Y279	A241-A275 WeakPolarHBondContact O-CB 3.41Å; L242-A275 HydrophobicContact CD1-CB 4.33Å; L242-A275 HydrophobicContact CD2-CB 3.8Å; L242-A275 HydrophobicContact CG-CB 3.66Å; L271-A275 WeakPolarHBondContact O-CB 3.38Å; L271-A275 PolarHBondContact O-N 3.3Å; A272-A275 WeakPolarHBondContact O-CB 3.46Å; A272-A275 PolarHBondContact O-N 3.13Å; A272-A275 VanDerWaalsContact O-N 3.13Å; E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 2.91Å; A275-D277 VanDerWaalsContact C-N 3.3Å; A275-D277 PolarHBondContact O-N 2.89Å; A275-Y278 PolarHBondContact O-N 2.87Å; A275-Y279 VanDerWaalsContact O-CD2 3.23Å; A275-Y279 WeakPolarHBondContact O-CD2 3.47Å; A275-Y279 PolarHBondContact O-N 3.46Å
276	T	74.9	Confident	79.5	Confident	19 Å²	19	46.1 Å²	46.1	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-45.1	173.7	-69.2	0	0	0	0	111.3	A272 E273 R274 Y278 Y279 K280 F300	A272-T276 PolarHBondContact O-N 2.99Å; E273-T276 WeakPolarHBondContact O-CB 3.42Å; E273-T276 PolarHBondContact O-N 3.18Å; R274-T276 VanDerWaalsContact C-N 3.35Å; R274-T276 PolarHBondContact O-N 2.94Å; T276-Y278 PolarHBondContact O-N 3.22Å; T276-Y279 PolarHBondContact O-N 3.04Å; T276-K280 WeakPolarHBondContact O-CG 3.24Å; T276-K280 PolarHBondContact O-N 2.83Å; T276-F300 HydrophobicContact CG2-CB 3.84Å; T276-F300 WeakPolarHBondContact CG2-O 3.18Å; T276-F300 PolarHBondContact OG1-O 3.11Å
277	D	82.4	Confident	78.8	Confident	75 Å²	75	45.7 Å²	45.7	40%	0.401	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-40.3	177.9	-67.9	-23.5	0	0	0	112.5	E273 R274 A275 Y279 K280 L281	E273-D277 PolarHBondContact O-N 3.46Å; R274-D277 PolarHBondContact O-N 2.75Å; A275-D277 VanDerWaalsContact C-N 3.3Å; A275-D277 PolarHBondContact O-N 2.89Å; D277-Y279 PolarHBondContact O-N 3.44Å; D277-K280 WeakPolarHBondContact O-CB 3.29Å; D277-K280 PolarHBondContact O-N 3.34Å; D277-K280 VanDerWaalsContact O-N 3.1Å; D277-K280 IonicContact OD1-NZ 2.71Å; D277-K280 PolarHBondContact OD1-NZ 3.45Å; D277-L281 WeakPolarHBondContact O-CD1 3.35Å; D277-L281 PolarHBondContact O-N 2.76Å
278	Y	83	Confident	78.3	Confident	41 Å²	41	50.6 Å²	50.6	16%	0.161	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-39.6	174.2	-76.4	-63.6	0	0	0	112.8	A96 M97 V100 R274 A275 T276 K280 L281 F282	A96-Y278 HydrophobicContact CB-CD1 4.31Å; A96-Y278 HydrophobicContact CB-CE1 3.77Å; A96-Y278 PolarHBondContact O-OH 3.28Å; M97-Y278 HydrophobicContact CE-CD2 4.27Å; M97-Y278 HydrophobicContact CE-CE2 4.08Å; M97-Y278 HydrophobicContact SD-CD1 3.94Å; M97-Y278 HydrophobicContact SD-CD2 3.19Å; M97-Y278 WeakPolarHBondContact SD-CD2 3.43Å; M97-Y278 HydrophobicContact SD-CE1 4.01Å; M97-Y278 HydrophobicContact SD-CE2 3.32Å; M97-Y278 WeakPolarHBondContact SD-CE2 3.35Å; M97-Y278 HydrophobicContact SD-CG 3.53Å; M97-Y278 VanDerWaalsContact SD-CG 3.53Å; V100-Y278 HydrophobicContact CG2-CE2 4.39Å; V100-Y278 WeakPolarHBondContact CG2-OH 3.26Å; R274-Y278 HydrophobicContact CB-CD2 4.27Å; R274-Y278 HydrophobicContact CB-CE2 4.11Å; R274-Y278 WeakPolarHBondContact O-CD2 3.3Å; R274-Y278 PolarHBondContact O-N 2.79Å; A275-Y278 PolarHBondContact O-N 2.87Å; T276-Y278 PolarHBondContact O-N 3.22Å; Y278-K280 VanDerWaalsContact C-N 3.28Å; Y278-K280 PolarHBondContact O-N 3.27Å; Y278-L281 HydrophobicContact CD1-CD1 4.42Å; Y278-L281 PolarHBondContact O-N 3.12Å; Y278-F282 HydrophobicContact CD1-CD2 4.38Å; Y278-F282 AromaticContact CD1-CE2 3.92Å; Y278-F282 HydrophobicContact CD1-CE2 3.92Å; Y278-F282 WeakPolarHBondContact O-CD2 3.42Å; Y278-F282 PolarHBondContact O-N 3.37Å
279	Y	79.5	Confident	78	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-33.5	172.9	-86.2	-78.5	0	0	0	112.4	L157 H186 L242 G243 Q246 A275 T276 D277 F282 I283 T286 F300	L157-Y279 HydrophobicContact CB-CE1 3.92Å; L157-Y279 HydrophobicContact CD1-CD1 3.64Å; L157-Y279 HydrophobicContact CD1-CE1 3.64Å; L157-Y279 HydrophobicContact CD2-CD1 4.04Å; L157-Y279 HydrophobicContact CD2-CD2 4.44Å; L157-Y279 HydrophobicContact CD2-CE1 4.24Å; L157-Y279 HydrophobicContact CD2-CG 4.13Å; L157-Y279 HydrophobicContact CG-CD1 4.28Å; L157-Y279 HydrophobicContact CG-CE1 4.14Å; H186-Y279 HydrophobicContact CB-CE1 4.43Å; H186-Y279 AromaticContact CD2-CE1 3.8Å; H186-Y279 AromaticContact CD2-CZ 3.76Å; H186-Y279 PolarHBondContact CD2-OH 3.24Å; L242-Y279 HydrophobicContact CD2-CD2 4.22Å; L242-Y279 HydrophobicContact CD2-CE2 3.84Å; G243-Y279 WeakPolarHBondContact CA-OH 3.22Å; G243-Y279 PolarHBondContact N-OH 3.39Å; Q246-Y279 HydrophobicContact CB-CE2 4.12Å; Q246-Y279 HydrophobicContact CG-CD2 3.94Å; Q246-Y279 HydrophobicContact CG-CE2 3.44Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.44Å; A275-Y279 VanDerWaalsContact O-CD2 3.23Å; A275-Y279 WeakPolarHBondContact O-CD2 3.47Å; A275-Y279 PolarHBondContact O-N 3.46Å; T276-Y279 PolarHBondContact O-N 3.04Å; D277-Y279 PolarHBondContact O-N 3.44Å; Y279-F282 CarbonylContact O-C 3.24Å; Y279-I283 VanDerWaalsContact O-CA 3.26Å; Y279-I283 WeakPolarHBondContact O-CA 3.31Å; Y279-I283 PolarHBondContact O-N 2.91Å; Y279-T286 HydrophobicContact CD1-CG2 3.92Å; Y279-T286 HydrophobicContact CE1-CG2 4.41Å; Y279-F300 HydrophobicContact CD1-CD1 4.47Å; Y279-F300 AromaticContact CD1-CE1 3.63Å; Y279-F300 HydrophobicContact CD1-CE1 3.63Å; Y279-F300 AromaticContact CD1-CE2 3.8Å; Y279-F300 HydrophobicContact CD1-CE2 3.8Å; Y279-F300 AromaticContact CD1-CZ 3.22Å; Y279-F300 HydrophobicContact CD1-CZ 3.22Å; Y279-F300 HydrophobicContact CD2-CD1 4.16Å; Y279-F300 AromaticContact CD2-CE1 3.94Å; Y279-F300 HydrophobicContact CD2-CE1 3.94Å; Y279-F300 HydrophobicContact CD2-CZ 4.31Å; Y279-F300 AromaticContact CE1-CE1 3.96Å; Y279-F300 HydrophobicContact CE1-CE1 3.96Å; Y279-F300 AromaticContact CE1-CZ 3.81Å; Y279-F300 HydrophobicContact CE1-CZ 3.81Å; Y279-F300 HydrophobicContact CE2-CE1 4.29Å; Y279-F300 HydrophobicContact CG-CD1 4.04Å; Y279-F300 HydrophobicContact CG-CD2 4.26Å; Y279-F300 AromaticContact CG-CE1 3.63Å; Y279-F300 HydrophobicContact CG-CE1 3.63Å; Y279-F300 AromaticContact CG-CE2 3.88Å; Y279-F300 HydrophobicContact CG-CE2 3.88Å; Y279-F300 HydrophobicContact CG-CG 4.34Å; Y279-F300 AromaticContact CG-CZ 3.54Å; Y279-F300 HydrophobicContact CG-CZ 3.54Å
280	K	81.9	Confident	78.2	Confident	72 Å²	72	51.1 Å²	51.1	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-67.8	-48.9	172.3	-62.6	171	-173.1	157.3	0	111.2	T276 D277 Y278 F282 I283 F294 N298	T276-K280 WeakPolarHBondContact O-CG 3.24Å; T276-K280 PolarHBondContact O-N 2.83Å; D277-K280 WeakPolarHBondContact O-CB 3.29Å; D277-K280 PolarHBondContact O-N 3.34Å; D277-K280 VanDerWaalsContact O-N 3.1Å; D277-K280 IonicContact OD1-NZ 2.71Å; D277-K280 PolarHBondContact OD1-NZ 3.45Å; Y278-K280 VanDerWaalsContact C-N 3.28Å; Y278-K280 PolarHBondContact O-N 3.27Å; K280-F282 VanDerWaalsContact C-N 3.29Å; K280-F282 PolarHBondContact O-N 3.48Å; K280-I283 WeakPolarHBondContact O-CB 3.26Å; K280-I283 PolarHBondContact O-N 3.28Å; K280-F294 HydrophobicContact CB-CZ 4.15Å; K280-F294 HydrophobicContact CG-CE2 3.92Å; K280-F294 HydrophobicContact CG-CZ 3.83Å; K280-N298 VanDerWaalsContact CE-ND2 3.28Å; K280-N298 WeakPolarHBondContact CE-ND2 3.23Å
281	L	84.8	Confident	78.8	Confident	124 Å²	124	53 Å²	53	65%	0.649	26%	0.255	S	S	*	.	H	α-helix	trans	-58.7	-39.5	179.5	-85.2	142.3	0	0	0	112.3	D277 Y278	D277-L281 WeakPolarHBondContact O-CD1 3.35Å; D277-L281 PolarHBondContact O-N 2.76Å; Y278-L281 HydrophobicContact CD1-CD1 4.42Å; Y278-L281 PolarHBondContact O-N 3.12Å
282	F	84	Confident	79.5	Confident	31 Å²	31	59.3 Å²	59.3	14%	0.136	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	33.4	-178.6	-56.8	-67.6	0	0	0	112.7	C92 P93 A96 L157 Y278 Y279 K280 T284 W285	C92-F282 HydrophobicContact CB-CE1 4.02Å; P93-F282 HydrophobicContact CB-CD1 4.18Å; P93-F282 HydrophobicContact CB-CD2 3.7Å; P93-F282 HydrophobicContact CB-CE1 4.29Å; P93-F282 HydrophobicContact CB-CE2 3.84Å; P93-F282 HydrophobicContact CB-CG 3.88Å; P93-F282 HydrophobicContact CB-CZ 4.14Å; P93-F282 HydrophobicContact CG-CB 4.22Å; P93-F282 HydrophobicContact CG-CD1 3.67Å; P93-F282 HydrophobicContact CG-CD2 4.1Å; P93-F282 HydrophobicContact CG-CE1 3.98Å; P93-F282 HydrophobicContact CG-CE2 4.38Å; P93-F282 HydrophobicContact CG-CG 3.73Å; P93-F282 HydrophobicContact CG-CZ 4.33Å; A96-F282 HydrophobicContact CB-CE2 3.72Å; A96-F282 HydrophobicContact CB-CZ 3.71Å; L157-F282 HydrophobicContact CD1-CB 4.28Å; L157-F282 HydrophobicContact CD2-CB 4.05Å; L157-F282 HydrophobicContact CD2-CD2 4.22Å; L157-F282 HydrophobicContact CG-CB 4.27Å; Y278-F282 HydrophobicContact CD1-CD2 4.38Å; Y278-F282 AromaticContact CD1-CE2 3.92Å; Y278-F282 HydrophobicContact CD1-CE2 3.92Å; Y278-F282 WeakPolarHBondContact O-CD2 3.42Å; Y278-F282 PolarHBondContact O-N 3.37Å; Y279-F282 CarbonylContact O-C 3.24Å; K280-F282 VanDerWaalsContact C-N 3.29Å; K280-F282 PolarHBondContact O-N 3.48Å; F282-T284 PolarHBondContact O-N 3.32Å; F282-T284 VanDerWaalsContact O-N 3.09Å; F282-W285 HydrophobicContact CB-CB 4.39Å; F282-W285 HydrophobicContact CB-CG 4.28Å; F282-W285 WeakPolarHBondContact O-CB 3.38Å; F282-W285 PolarHBondContact O-N 3Å
283	I	82.6	Confident	80.1	Confident	31 Å²	31	60.3 Å²	60.3	16%	0.159	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.6	-32	-179.5	-165.8	66.4	0	0	0	112.4	Y279 K280 W285 T286 I290 F294	Y279-I283 VanDerWaalsContact O-CA 3.26Å; Y279-I283 WeakPolarHBondContact O-CA 3.31Å; Y279-I283 PolarHBondContact O-N 2.91Å; K280-I283 WeakPolarHBondContact O-CB 3.26Å; K280-I283 PolarHBondContact O-N 3.28Å; I283-W285 PolarHBondContact O-N 3.13Å; I283-T286 HydrophobicContact CD1-CG2 4.25Å; I283-T286 WeakPolarHBondContact O-CB 3.39Å; I283-T286 PolarHBondContact O-N 3.23Å; I283-T286 PolarHBondContact O-OG1 3.13Å; I283-I290 HydrophobicContact CD1-CG2 3.59Å; I283-F294 HydrophobicContact CD1-CB 3.9Å; I283-F294 HydrophobicContact CD1-CD1 4.21Å; I283-F294 HydrophobicContact CD1-CD2 3.58Å; I283-F294 HydrophobicContact CD1-CE2 4.13Å; I283-F294 HydrophobicContact CD1-CG 3.63Å; I283-F294 HydrophobicContact CG1-CB 4.11Å; I283-F294 HydrophobicContact CG1-CD1 3.92Å; I283-F294 HydrophobicContact CG1-CD2 4.21Å; I283-F294 HydrophobicContact CG1-CE1 4.41Å; I283-F294 HydrophobicContact CG1-CG 3.82Å
284	T	81.9	Confident	80.4	Confident	90 Å²	90	58.5 Å²	58.5	55%	0.552	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.2	177.2	54.3	0	0	0	0	113.8	F282 K291	F282-T284 PolarHBondContact O-N 3.32Å; F282-T284 VanDerWaalsContact O-N 3.09Å; T284-K291 WeakPolarHBondContact O-CE 3.34Å; T284-K291 PolarHBondContact O-NZ 3.35Å
285	W	81	Confident	80.2	Confident	26 Å²	26	59.3 Å²	59.3	10%	0.098	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-93.1	-3.8	176.3	-64.7	66.8	0	0	0	113.3	T91 C92 P93 L136 L157 F282 I283	T91-W285 HydrophobicContact CG2-CH2 3.9Å; T91-W285 HydrophobicContact CG2-CZ3 3.97Å; C92-W285 HydrophobicContact CB-CZ2 4.48Å; P93-W285 HydrophobicContact CG-CD2 3.73Å; P93-W285 HydrophobicContact CG-CE3 3.95Å; P93-W285 HydrophobicContact CG-CG 4.17Å; P93-W285 HydrophobicContact CG-CH2 4.31Å; P93-W285 HydrophobicContact CG-CZ2 4.12Å; P93-W285 HydrophobicContact CG-CZ3 4.22Å; L136-W285 HydrophobicContact CB-CH2 4.45Å; L136-W285 HydrophobicContact CD1-CD2 3.72Å; L136-W285 HydrophobicContact CD1-CE3 3.82Å; L136-W285 HydrophobicContact CD1-CG 4.18Å; L136-W285 HydrophobicContact CD1-CH2 4.44Å; L136-W285 HydrophobicContact CD1-CZ2 4.35Å; L136-W285 HydrophobicContact CD1-CZ3 4.2Å; L136-W285 HydrophobicContact CD2-CD2 4.21Å; L136-W285 HydrophobicContact CD2-CE3 3.45Å; L136-W285 VanDerWaalsContact CD2-CE3 3.45Å; L136-W285 HydrophobicContact CD2-CH2 3.68Å; L136-W285 HydrophobicContact CD2-CZ2 4.38Å; L136-W285 HydrophobicContact CD2-CZ3 3.16Å; L136-W285 HydrophobicContact CG-CD2 3.85Å; L136-W285 HydrophobicContact CG-CE3 3.6Å; L136-W285 HydrophobicContact CG-CH2 3.5Å; L136-W285 HydrophobicContact CG-CZ2 3.73Å; L136-W285 HydrophobicContact CG-CZ3 3.45Å; L136-W285 VanDerWaalsContact CG-CZ3 3.45Å; L157-W285 HydrophobicContact CD1-CB 4.31Å; F282-W285 HydrophobicContact CB-CB 4.39Å; F282-W285 HydrophobicContact CB-CG 4.28Å; F282-W285 WeakPolarHBondContact O-CB 3.38Å; F282-W285 PolarHBondContact O-N 3Å; I283-W285 PolarHBondContact O-N 3.13Å
286	T	81.5	Confident	80	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.049	33%	0.328	C	S	.	.	S	Bend	trans	-84.7	177	179.6	67.8	0	0	0	0	112.4	L157 H186 Y279 I283 I290 K291	L157-T286 HydrophobicContact CD1-CG2 3.79Å; H186-T286 WeakPolarHBondContact O-CB 3.26Å; Y279-T286 HydrophobicContact CD1-CG2 3.92Å; Y279-T286 HydrophobicContact CE1-CG2 4.41Å; I283-T286 HydrophobicContact CD1-CG2 4.25Å; I283-T286 WeakPolarHBondContact O-CB 3.39Å; I283-T286 PolarHBondContact O-N 3.23Å; I283-T286 PolarHBondContact O-OG1 3.13Å; T286-I290 HydrophobicContact CG2-CG2 4.09Å; T286-I290 WeakPolarHBondContact OG1-CB 3.01Å; T286-I290 VanDerWaalsContact OG1-CG2 3.24Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.49Å; T286-K291 WeakPolarHBondContact O-CE 3.32Å
287	S	78.8	Confident	79.8	Confident	18 Å²	18	71.5 Å²	71.5	13%	0.126	34%	0.341	C	S	.	.			trans	-63.1	153.1	175.3	74.4	0	0	0	0	112.2	R185 H186 K289 I290 K291	R185-S287 PolarHBondContact O-OG 2.71Å; R185-S287 VanDerWaalsContact O-OG 3.06Å; H186-S287 PolarHBondContact O-N 3.06Å; S287-K289 PolarHBondContact O-N 2.93Å; S287-K289 VanDerWaalsContact O-N 3.13Å; S287-I290 PolarHBondContact O-N 3.49Å; S287-I290 VanDerWaalsContact OG-CG1 3.32Å; S287-I290 WeakPolarHBondContact OG-CG1 3.25Å; S287-I290 PolarHBondContact OG-N 2.99Å; S287-K291 PolarHBondContact O-N 3.29Å
288	E	80.8	Confident	79.4	Confident	111 Å²	111	68.7 Å²	68.7	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-55.8	-31.5	175.4	-75.8	-56	126.4	0	0	113	K291 K292	E288-K291 WeakPolarHBondContact OE1-CD 3.12Å; E288-K291 WeakPolarHBondContact OE1-CE 3.28Å; E288-K291 IonicContact OE1-NZ 3.86Å; E288-K291 PolarHBondContact OE1-NZ 3.2Å; E288-K292 WeakPolarHBondContact O-CG 3.48Å; E288-K292 PolarHBondContact O-N 2.99Å; E288-K292 VanDerWaalsContact O-N 3.13Å
289	K	81	Confident	79.1	Confident	135 Å²	135	68.7 Å²	68.7	59%	0.587	33%	0.328	S	S	*	.	H	α-helix	trans	-62.6	-46.7	174.1	-174.8	177.7	179.3	179.2	0	111.2	S287 K292 T293	S287-K289 PolarHBondContact O-N 2.93Å; S287-K289 VanDerWaalsContact O-N 3.13Å; K289-K292 PolarHBondContact O-N 3.41Å; K289-T293 WeakPolarHBondContact O-CB 3.46Å; K289-T293 PolarHBondContact O-N 2.82Å; K289-T293 PolarHBondContact O-OG1 2.9Å
290	I	80.2	Confident	79	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-45	-179.6	-64.3	-104.5	0	0	0	110.6	R185 H186 I283 T286 S287 K292 T293 F294 M299 F300	R185-I290 WeakPolarHBondContact O-CG1 3.34Å; H186-I290 HydrophobicContact CB-CD1 4.04Å; I283-I290 HydrophobicContact CD1-CG2 3.59Å; T286-I290 HydrophobicContact CG2-CG2 4.09Å; T286-I290 WeakPolarHBondContact OG1-CB 3.01Å; T286-I290 VanDerWaalsContact OG1-CG2 3.24Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.49Å; S287-I290 PolarHBondContact O-N 3.49Å; S287-I290 VanDerWaalsContact OG-CG1 3.32Å; S287-I290 WeakPolarHBondContact OG-CG1 3.25Å; S287-I290 PolarHBondContact OG-N 2.99Å; I290-K292 VanDerWaalsContact C-N 3.27Å; I290-K292 PolarHBondContact O-N 2.79Å; I290-T293 PolarHBondContact O-N 2.73Å; I290-F294 WeakPolarHBondContact O-CB 3.43Å; I290-F294 PolarHBondContact O-N 3.44Å; I290-M299 HydrophobicContact CB-CE 4.01Å; I290-M299 HydrophobicContact CD1-CB 4.33Å; I290-M299 HydrophobicContact CD1-CE 3.22Å; I290-M299 HydrophobicContact CD1-SD 4.21Å; I290-M299 HydrophobicContact CG1-CE 3.53Å; I290-F300 HydrophobicContact CD1-CE2 4.24Å; I290-F300 HydrophobicContact CD1-CZ 3.9Å; I290-F300 HydrophobicContact CG2-CE2 3.86Å; I290-F300 HydrophobicContact CG2-CZ 4.26Å
291	K	81.8	Confident	79	Confident	67 Å²	67	70.8 Å²	70.8	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-53.9	-44.7	176.4	-64.5	-179.4	-159.4	172.8	0	112.1	T284 T286 S287 E288	T284-K291 WeakPolarHBondContact O-CE 3.34Å; T284-K291 PolarHBondContact O-NZ 3.35Å; T286-K291 WeakPolarHBondContact O-CE 3.32Å; S287-K291 PolarHBondContact O-N 3.29Å; E288-K291 WeakPolarHBondContact OE1-CD 3.12Å; E288-K291 WeakPolarHBondContact OE1-CE 3.28Å; E288-K291 IonicContact OE1-NZ 3.86Å; E288-K291 PolarHBondContact OE1-NZ 3.2Å
292	K	82.1	Confident	79.1	Confident	145 Å²	145	66.8 Å²	66.8	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-70.1	-45.7	178.9	-71.2	177.9	-177	-178	0	112.7	E288 K289 I290	E288-K292 WeakPolarHBondContact O-CG 3.48Å; E288-K292 PolarHBondContact O-N 2.99Å; E288-K292 VanDerWaalsContact O-N 3.13Å; K289-K292 PolarHBondContact O-N 3.41Å; I290-K292 VanDerWaalsContact C-N 3.27Å; I290-K292 PolarHBondContact O-N 2.79Å
293	T	78.9	Confident	79.2	Confident	39 Å²	39	73.3 Å²	73.3	24%	0.239	34%	0.34	C	S	.	.	H	α-helix	trans	-70.6	-32.6	-178.1	-54.8	0	0	0	0	112.1	K289 I290 I295 Q296 R297 M299	K289-T293 WeakPolarHBondContact O-CB 3.46Å; K289-T293 PolarHBondContact O-N 2.82Å; K289-T293 PolarHBondContact O-OG1 2.9Å; I290-T293 PolarHBondContact O-N 2.73Å; T293-I295 PolarHBondContact O-N 2.79Å; T293-I295 VanDerWaalsContact O-N 3.15Å; T293-Q296 PolarHBondContact O-N 2.9Å; T293-R297 CarbonylContact C-O 3.33Å; T293-R297 CarbonylContact O-C 3.6Å; T293-R297 PolarHBondContact O-N 2.88Å; T293-M299 HydrophobicContact CG2-CE 4.02Å; T293-M299 HydrophobicContact CG2-CG 3.78Å; T293-M299 HydrophobicContact CG2-SD 4.07Å
294	F	76.9	Confident	79.7	Confident	62 Å²	62	74.3 Å²	74.3	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-57.4	-31.5	-177.2	-172.4	-97.5	0	0	0	113.5	K280 I283 I290 Q296 N298	K280-F294 HydrophobicContact CB-CZ 4.15Å; K280-F294 HydrophobicContact CG-CE2 3.92Å; K280-F294 HydrophobicContact CG-CZ 3.83Å; I283-F294 HydrophobicContact CD1-CB 3.9Å; I283-F294 HydrophobicContact CD1-CD1 4.21Å; I283-F294 HydrophobicContact CD1-CD2 3.58Å; I283-F294 HydrophobicContact CD1-CE2 4.13Å; I283-F294 HydrophobicContact CD1-CG 3.63Å; I283-F294 HydrophobicContact CG1-CB 4.11Å; I283-F294 HydrophobicContact CG1-CD1 3.92Å; I283-F294 HydrophobicContact CG1-CD2 4.21Å; I283-F294 HydrophobicContact CG1-CE1 4.41Å; I283-F294 HydrophobicContact CG1-CG 3.82Å; I290-F294 WeakPolarHBondContact O-CB 3.43Å; I290-F294 PolarHBondContact O-N 3.44Å; F294-Q296 VanDerWaalsContact C-N 3.27Å; F294-Q296 PolarHBondContact O-N 2.82Å; F294-N298 HydrophobicContact CD2-CB 4.4Å; F294-N298 HydrophobicContact CE2-CB 4.23Å
295	I	72.2	Confident	80.1	Confident	149 Å²	149	70.9 Å²	70.9	76%	0.764	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.7	175.1	-58.9	172.6	0	0	0	111.6	T293	T293-I295 PolarHBondContact O-N 2.79Å; T293-I295 VanDerWaalsContact O-N 3.15Å
296	Q	69	Low	80.7	Confident	175 Å²	175	72.4 Å²	72.4	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-41.7	-175.4	-63	178.2	-9.1	0	0	113	T293 F294	T293-Q296 PolarHBondContact O-N 2.9Å; F294-Q296 VanDerWaalsContact C-N 3.27Å; F294-Q296 PolarHBondContact O-N 2.82Å
297	R	71.2	Confident	81.1	Confident	100 Å²	100	74.8 Å²	74.8	38%	0.377	35%	0.352	S	S	.	.			trans	-151.5	125.4	-179.2	-179.2	177.9	175.1	176.9	-1	108.7	E257 T293 M299	E257-R297 IonicContact OE2-NH1 3.39Å; E257-R297 IonicContact OE2-NH2 3.22Å; T293-R297 CarbonylContact C-O 3.33Å; T293-R297 CarbonylContact O-C 3.6Å; T293-R297 PolarHBondContact O-N 2.88Å; R297-M299 PolarHBondContact O-N 3.45Å; R297-M299 VanDerWaalsContact O-N 3.13Å
298	N	75.1	Confident	81.7	Confident	16 Å²	16	74.1 Å²	74.1	9%	0.086	35%	0.347	C	S	.	.			trans	-69.1	109.5	172.7	-179.7	-0.3	0	0	0	109.7	K280 F294 F300 E301	K280-N298 VanDerWaalsContact CE-ND2 3.28Å; K280-N298 WeakPolarHBondContact CE-ND2 3.23Å; F294-N298 HydrophobicContact CD2-CB 4.4Å; F294-N298 HydrophobicContact CE2-CB 4.23Å; N298-F300 PolarHBondContact O-N 2.92Å; N298-F300 PolarHBondContact OD1-N 3.2Å; N298-E301 HydrophobicContact CB-CB 4.28Å; N298-E301 HydrophobicContact CB-CG 4.1Å; N298-E301 VanDerWaalsContact ND2-CD 3.33Å; N298-E301 WeakPolarHBondContact ND2-CG 3.36Å; N298-E301 PolarHBondContact ND2-OE1 3.22Å; N298-E301 PolarHBondContact O-N 3.09Å
299	M	75.3	Confident	82.1	Confident	41 Å²	41	73.5 Å²	73.5	20%	0.202	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.9	-179.2	-74	-157	-87.2	0	0	113.9	I290 T293 R297 F302	I290-M299 HydrophobicContact CB-CE 4.01Å; I290-M299 HydrophobicContact CD1-CB 4.33Å; I290-M299 HydrophobicContact CD1-CE 3.22Å; I290-M299 HydrophobicContact CD1-SD 4.21Å; I290-M299 HydrophobicContact CG1-CE 3.53Å; T293-M299 HydrophobicContact CG2-CE 4.02Å; T293-M299 HydrophobicContact CG2-CG 3.78Å; T293-M299 HydrophobicContact CG2-SD 4.07Å; R297-M299 PolarHBondContact O-N 3.45Å; R297-M299 VanDerWaalsContact O-N 3.13Å; M299-F302 WeakPolarHBondContact O-CE1 3.45Å
300	F	79.1	Confident	82.3	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.009	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5.2	176.7	-54.4	-76	0	0	0	112.6	H186 Q246 I250 T276 Y279 I290 N298	H186-F300 HydrophobicContact CB-CE1 4.16Å; H186-F300 HydrophobicContact CB-CZ 4.11Å; Q246-F300 HydrophobicContact CB-CD1 4.28Å; Q246-F300 HydrophobicContact CB-CE1 4.07Å; Q246-F300 HydrophobicContact CG-CD1 4.18Å; Q246-F300 HydrophobicContact CG-CE1 4.27Å; I250-F300 HydrophobicContact CD1-CE1 4.27Å; T276-F300 HydrophobicContact CG2-CB 3.84Å; T276-F300 WeakPolarHBondContact CG2-O 3.18Å; T276-F300 PolarHBondContact OG1-O 3.11Å; Y279-F300 HydrophobicContact CD1-CD1 4.47Å; Y279-F300 AromaticContact CD1-CE1 3.63Å; Y279-F300 HydrophobicContact CD1-CE1 3.63Å; Y279-F300 AromaticContact CD1-CE2 3.8Å; Y279-F300 HydrophobicContact CD1-CE2 3.8Å; Y279-F300 AromaticContact CD1-CZ 3.22Å; Y279-F300 HydrophobicContact CD1-CZ 3.22Å; Y279-F300 HydrophobicContact CD2-CD1 4.16Å; Y279-F300 AromaticContact CD2-CE1 3.94Å; Y279-F300 HydrophobicContact CD2-CE1 3.94Å; Y279-F300 HydrophobicContact CD2-CZ 4.31Å; Y279-F300 AromaticContact CE1-CE1 3.96Å; Y279-F300 HydrophobicContact CE1-CE1 3.96Å; Y279-F300 AromaticContact CE1-CZ 3.81Å; Y279-F300 HydrophobicContact CE1-CZ 3.81Å; Y279-F300 HydrophobicContact CE2-CE1 4.29Å; Y279-F300 HydrophobicContact CG-CD1 4.04Å; Y279-F300 HydrophobicContact CG-CD2 4.26Å; Y279-F300 AromaticContact CG-CE1 3.63Å; Y279-F300 HydrophobicContact CG-CE1 3.63Å; Y279-F300 AromaticContact CG-CE2 3.88Å; Y279-F300 HydrophobicContact CG-CE2 3.88Å; Y279-F300 HydrophobicContact CG-CG 4.34Å; Y279-F300 AromaticContact CG-CZ 3.54Å; Y279-F300 HydrophobicContact CG-CZ 3.54Å; I290-F300 HydrophobicContact CD1-CE2 4.24Å; I290-F300 HydrophobicContact CD1-CZ 3.9Å; I290-F300 HydrophobicContact CG2-CE2 3.86Å; I290-F300 HydrophobicContact CG2-CZ 4.26Å; N298-F300 PolarHBondContact O-N 2.92Å; N298-F300 PolarHBondContact OD1-N 3.2Å
301	E	81.7	Confident	82.6	Confident	115 Å²	115	73.6 Å²	73.6	54%	0.537	36%	0.364	S	S	.	.			trans	-90.6	102.3	165.1	-84.3	167	-151.7	0	0	109.4	N298	N298-E301 HydrophobicContact CB-CB 4.28Å; N298-E301 HydrophobicContact CB-CG 4.1Å; N298-E301 VanDerWaalsContact ND2-CD 3.33Å; N298-E301 WeakPolarHBondContact ND2-CG 3.36Å; N298-E301 PolarHBondContact ND2-OE1 3.22Å; N298-E301 PolarHBondContact O-N 3.09Å
302	F	85.9	Confident	83.1	Confident	40 Å²	40	72.1 Å²	72.1	18%	0.175	36%	0.358	C	S	.	.			trans	-93.3	120.7	179.2	-52.7	-61.7	0	0	0	109.3	C249 I250 E253 M299 I305	C249-F302 HydrophobicContact CB-CD1 4.23Å; C249-F302 HydrophobicContact CB-CD2 4.29Å; C249-F302 HydrophobicContact CB-CE1 3.72Å; C249-F302 HydrophobicContact CB-CE2 3.77Å; C249-F302 HydrophobicContact CB-CZ 3.46Å; C249-F302 VanDerWaalsContact CB-CZ 3.46Å; I250-F302 HydrophobicContact CG1-CE1 3.77Å; I250-F302 HydrophobicContact CG1-CZ 4.16Å; E253-F302 HydrophobicContact CB-CD1 4Å; E253-F302 HydrophobicContact CG-CD1 4.08Å; M299-F302 WeakPolarHBondContact O-CE1 3.45Å; F302-I305 HydrophobicContact CB-CB 3.67Å; F302-I305 HydrophobicContact CB-CD1 4.05Å; F302-I305 HydrophobicContact CB-CG1 3.89Å; F302-I305 HydrophobicContact CD1-CD1 4.28Å; F302-I305 HydrophobicContact CD2-CD1 4.43Å; F302-I305 HydrophobicContact CG-CB 4.38Å; F302-I305 HydrophobicContact CG-CD1 3.99Å; F302-I305 HydrophobicContact CG-CG1 4.4Å
303	R	86.8	Confident	83.6	Confident	167 Å²	167	65.3 Å²	65.3	63%	0.63	33%	0.329	S	S	*	.	S	Bend	trans	-85.9	-27.4	-179.6	-60	178.2	-172.2	167.3	-0.9	112	E253 E257	E253-R303 VanDerWaalsContact CD-N 3.31Å; E253-R303 WeakPolarHBondContact OE1-CB 3.47Å; E253-R303 PolarHBondContact OE1-N 3.18Å; E253-R303 PolarHBondContact OE2-N 2.99Å; E257-R303 IonicContact OE1-NH1 3.32Å
304	H	91.9	Very high	84.2	Confident	52 Å²	52	68.9 Å²	68.9	24%	0.241	35%	0.346	C	S	.	.	S	Bend	trans	-97.8	-6.1	-178.2	-55.6	84.3	0	0	0	112.4	E253 W256 V265	E253-H304 VanDerWaalsContact CD-ND1 3.32Å; E253-H304 IonicContact OE1-CE1 3.23Å; E253-H304 IonicContact OE1-CG 3.88Å; E253-H304 PolarHBondContact OE1-N 2.92Å; E253-H304 IonicContact OE1-ND1 2.97Å; E253-H304 PolarHBondContact OE1-ND1 3.42Å; E253-H304 WeakPolarHBondContact OE2-CB 3.17Å; E253-H304 IonicContact OE2-CG 2.68Å; E253-H304 PolarHBondContact OE2-N 2.91Å; E253-H304 IonicContact OE2-ND1 2.96Å; W256-H304 HydrophobicContact CB-CB 4.05Å; W256-H304 HydrophobicContact CG-CB 4.27Å; V265-H304 WeakPolarHBondContact CB-O 2.92Å
305	I	92.1	Very high	84.9	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.092	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.5	179	-49.8	-177.3	0	0	0	109.3	C249 V265 F267 F302 F322	C249-I305 HydrophobicContact CB-CD1 3.66Å; V265-I305 HydrophobicContact CB-CG1 4.17Å; V265-I305 HydrophobicContact CG1-CB 4.37Å; V265-I305 HydrophobicContact CG1-CD1 4.28Å; V265-I305 HydrophobicContact CG1-CG1 3.78Å; V265-I305 HydrophobicContact CG1-CG2 4.18Å; V265-I305 WeakPolarHBondContact O-CA 3.32Å; F267-I305 HydrophobicContact CB-CG2 3.96Å; F302-I305 HydrophobicContact CB-CB 3.67Å; F302-I305 HydrophobicContact CB-CD1 4.05Å; F302-I305 HydrophobicContact CB-CG1 3.89Å; F302-I305 HydrophobicContact CD1-CD1 4.28Å; F302-I305 HydrophobicContact CD2-CD1 4.43Å; F302-I305 HydrophobicContact CG-CB 4.38Å; F302-I305 HydrophobicContact CG-CD1 3.99Å; F302-I305 HydrophobicContact CG-CG1 4.4Å; I305-F322 HydrophobicContact CD1-CE2 4.35Å
306	S	91.5	Very high	85.8	Confident	59 Å²	59	68.5 Å²	68.5	41%	0.413	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	161.1	-179.8	-55	0	0	0	0	112.3	V265 Y266 F267 F308	V265-S306 PolarHBondContact O-N 2.97Å; Y266-S306 CarbonylContact C-O 3.57Å; Y266-S306 WeakPolarHBondContact CA-O 3.44Å; F267-S306 PolarHBondContact N-O 3.09Å; S306-F308 PolarHBondContact O-N 2.87Å
307	P	90.7	Very high	87	Confident	57 Å²	57	62 Å²	62	37%	0.37	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.7	171.5	-23.9	35	0	0	0	111.8
308	F	92.1	Very high	88.2	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.3	175.4	-174.3	-101.6	0	0	0	110.9	Y266 F267 S306 F312 A313 L321 M336	Y266-F308 HydrophobicContact CD2-CD2 4.01Å; Y266-F308 HydrophobicContact CD2-CE2 4.49Å; Y266-F308 AromaticContact CG-CD2 3.86Å; Y266-F308 HydrophobicContact CG-CD2 3.86Å; F267-F308 WeakPolarHBondContact O-CB 3.45Å; F267-F308 PolarHBondContact O-N 3.37Å; S306-F308 PolarHBondContact O-N 2.87Å; F308-F312 HydrophobicContact CD2-CB 4.23Å; F308-F312 HydrophobicContact CD2-CD2 4.43Å; F308-F312 HydrophobicContact CE2-CB 3.78Å; F308-F312 HydrophobicContact CZ-CB 4.31Å; F308-A313 HydrophobicContact CZ-CB 3.92Å; F308-L321 HydrophobicContact CB-CD1 3.67Å; F308-L321 HydrophobicContact CD1-CD1 4.28Å; F308-L321 HydrophobicContact CD1-CD2 4.35Å; F308-L321 HydrophobicContact CD2-CD1 3.59Å; F308-L321 HydrophobicContact CD2-CD2 4.03Å; F308-L321 HydrophobicContact CD2-CG 4.36Å; F308-L321 HydrophobicContact CE1-CD2 4.24Å; F308-L321 HydrophobicContact CE2-CD1 4.27Å; F308-L321 HydrophobicContact CE2-CD2 3.87Å; F308-L321 HydrophobicContact CG-CD1 3.56Å; F308-L321 HydrophobicContact CG-CD2 4.23Å; F308-L321 HydrophobicContact CZ-CD2 3.97Å; F308-M336 HydrophobicContact CE1-SD 3.73Å; F308-M336 HydrophobicContact CZ-SD 3.61Å
309	E	89.5	Confident	89.3	Confident	98 Å²	98	58.2 Å²	58.2	46%	0.458	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-93.9	140.8	169.3	-62.7	-179.6	-164.7	0	0	110.7	A311 F312	E309-A311 PolarHBondContact O-N 2.92Å; E309-F312 HydrophobicContact CB-CD1 4.31Å; E309-F312 HydrophobicContact CB-CD2 3.83Å; E309-F312 HydrophobicContact CB-CE1 4.1Å; E309-F312 HydrophobicContact CB-CE2 3.58Å; E309-F312 HydrophobicContact CB-CG 4.18Å; E309-F312 HydrophobicContact CB-CZ 3.73Å; E309-F312 HydrophobicContact CG-CD2 4.4Å; E309-F312 HydrophobicContact CG-CE2 3.68Å; E309-F312 HydrophobicContact CG-CZ 3.76Å; E309-F312 VanDerWaalsContact N-CD2 3.34Å; E309-F312 WeakPolarHBondContact O-CB 3.45Å; E309-F312 PolarHBondContact O-N 3.1Å
310	P	83.7	Confident	90.4	Very high	69 Å²	69	56.3 Å²	56.3	45%	0.448	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-53.3	-29.3	180	-28.4	35.4	0	0	0	115	F312 A313	P310-F312 VanDerWaalsContact C-N 3.27Å; P310-F312 PolarHBondContact O-N 2.81Å; P310-A313 VanDerWaalsContact O-CB 3.27Å; P310-A313 WeakPolarHBondContact O-CB 3.43Å; P310-A313 PolarHBondContact O-N 3.14Å
311	A	88	Confident	91.2	Very high	69 Å²	69	56.2 Å²	56.2	57%	0.57	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25.5	177.4	0	0	0	0	0	113.2	E309 A313	E309-A311 PolarHBondContact O-N 2.92Å; A311-A313 PolarHBondContact O-N 3.24Å
312	F	92.2	Very high	91.8	Very high	37 Å²	37	50.7 Å²	50.7	16%	0.162	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-72.2	-16.6	179.4	-55.1	-21.9	0	0	0	112.6	Y266 F308 E309 P310 D314 Q315 M319	Y266-F312 HydrophobicContact CD1-CD2 4.07Å; Y266-F312 HydrophobicContact CD1-CE2 4.38Å; Y266-F312 AromaticContact CE1-CD2 3.59Å; Y266-F312 HydrophobicContact CE1-CD2 3.59Å; Y266-F312 AromaticContact CE1-CE2 3.81Å; Y266-F312 HydrophobicContact CE1-CE2 3.81Å; Y266-F312 HydrophobicContact CE2-CD2 4.47Å; Y266-F312 AromaticContact CZ-CD2 3.82Å; F308-F312 HydrophobicContact CD2-CB 4.23Å; F308-F312 HydrophobicContact CD2-CD2 4.43Å; F308-F312 HydrophobicContact CE2-CB 3.78Å; F308-F312 HydrophobicContact CZ-CB 4.31Å; E309-F312 HydrophobicContact CB-CD1 4.31Å; E309-F312 HydrophobicContact CB-CD2 3.83Å; E309-F312 HydrophobicContact CB-CE1 4.1Å; E309-F312 HydrophobicContact CB-CE2 3.58Å; E309-F312 HydrophobicContact CB-CG 4.18Å; E309-F312 HydrophobicContact CB-CZ 3.73Å; E309-F312 HydrophobicContact CG-CD2 4.4Å; E309-F312 HydrophobicContact CG-CE2 3.68Å; E309-F312 HydrophobicContact CG-CZ 3.76Å; E309-F312 VanDerWaalsContact N-CD2 3.34Å; E309-F312 WeakPolarHBondContact O-CB 3.45Å; E309-F312 PolarHBondContact O-N 3.1Å; P310-F312 VanDerWaalsContact C-N 3.27Å; P310-F312 PolarHBondContact O-N 2.81Å; F312-D314 PolarHBondContact O-N 3.44Å; F312-D314 VanDerWaalsContact O-N 3.13Å; F312-Q315 PolarHBondContact O-N 3.12Å; F312-M319 WeakPolarHBondContact O-CE 3.25Å
313	A	91.6	Very high	92.2	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56.5	-31.9	-179.6	0	0	0	0	0	113.4	F308 P310 A311 M336 K339 W340	F308-A313 HydrophobicContact CZ-CB 3.92Å; P310-A313 VanDerWaalsContact O-CB 3.27Å; P310-A313 WeakPolarHBondContact O-CB 3.43Å; P310-A313 PolarHBondContact O-N 3.14Å; A311-A313 PolarHBondContact O-N 3.24Å; A313-M336 HydrophobicContact CB-CE 3.86Å; A313-M336 HydrophobicContact CB-SD 3.65Å; A313-K339 HydrophobicContact CB-CD 4.04Å; A313-W340 PolarHBondContact O-NE1 2.92Å; A313-W340 VanDerWaalsContact O-NE1 3.09Å
314	D	91.6	Very high	92.2	Very high	114 Å²	114	41.4 Å²	41.4	61%	0.61	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-105.2	2.2	-173.8	-53.6	-49.9	0	0	0	112.3	F312 K339	F312-D314 PolarHBondContact O-N 3.44Å; F312-D314 VanDerWaalsContact O-N 3.13Å; D314-K339 IonicContact OD1-NZ 3.37Å; D314-K339 PolarHBondContact OD1-NZ 3.4Å; D314-K339 IonicContact OD2-NZ 2.78Å; D314-K339 PolarHBondContact OD2-NZ 2.87Å
315	Q	91.2	Very high	92	Very high	77 Å²	77	39.8 Å²	39.8	36%	0.36	25%	0.246	S	C	.	.			trans	-66.3	139.1	177.2	-77.9	-179.5	-8	0	0	111.4	K234 F312 M319	K234-Q315 PolarHBondContact NZ-O 2.97Å; F312-Q315 PolarHBondContact O-N 3.12Å; Q315-M319 HydrophobicContact CB-CE 4.13Å
316	P	91	Very high	91.8	Very high	126 Å²	126	39.2 Å²	39.2	82%	0.818	24%	0.244	S	C	*	.	S	Bend	trans	-68.4	156.1	175.1	29.9	-34.6	0	0	0	111.4
317	G	94.2	Very high	91.8	Very high	38 Å²	38	37.1 Å²	37.1	39%	0.392	23%	0.228	S	C	.	.	S	Bend	trans	93.4	172.8	175.9	0	0	0	0	0	115.2	K234	K234-G317 PolarHBondContact NZ-O 3.04Å
318	P	97.7	Very high	91.8	Very high	35 Å²	35	34.4 Å²	34.4	23%	0.227	21%	0.21	C	C	.	.			trans	-72	150.4	-177.5	30.2	-34.8	0	0	0	111.6	V229 G233 V263 P264	V229-P318 HydrophobicContact CB-CB 4Å; V229-P318 HydrophobicContact CG1-CB 4.4Å; V229-P318 WeakPolarHBondContact O-CB 3.33Å; G233-P318 WeakPolarHBondContact O-CA 3.39Å; G233-P318 VanDerWaalsContact O-CB 3.26Å; G233-P318 WeakPolarHBondContact O-CB 3.41Å; V263-P318 HydrophobicContact CG1-CB 4.01Å; V263-P318 HydrophobicContact CG1-CG 4.18Å; V263-P318 HydrophobicContact CG2-CG 4.12Å; P264-P318 WeakPolarHBondContact CD-O 3.47Å
319	M	97.9	Very high	91.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.2	171.6	59.6	-173.8	54.3	0	0	109.9	K234 V235 P264 Y266 F312 Q315 W340	K234-M319 CarbonylContact C-O 3.46Å; K234-M319 WeakPolarHBondContact CA-O 3.48Å; K234-M319 HydrophobicContact CB-CG 4.16Å; K234-M319 HydrophobicContact CD-CG 4.08Å; K234-M319 HydrophobicContact CD-SD 4.17Å; K234-M319 HydrophobicContact CG-CG 3.92Å; K234-M319 VanDerWaalsContact NZ-CE 3.28Å; V235-M319 PolarHBondContact N-O 3.03Å; P264-M319 HydrophobicContact CG-CB 3.97Å; P264-M319 WeakPolarHBondContact O-CA 3.49Å; Y266-M319 HydrophobicContact CD2-CB 4.32Å; Y266-M319 HydrophobicContact CE2-CB 4.15Å; Y266-M319 HydrophobicContact CE2-CE 4.3Å; Y266-M319 HydrophobicContact CE2-SD 4.34Å; F312-M319 WeakPolarHBondContact O-CE 3.25Å; Q315-M319 HydrophobicContact CB-CE 4.13Å; M319-W340 HydrophobicContact CG-CH2 4.26Å; M319-W340 HydrophobicContact SD-CH2 3.94Å; M319-W340 HydrophobicContact SD-CZ2 3.8Å
320	V	97.9	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.9	169.5	-176.1	0	0	0	0	108.5	V225 V229 V235 I237 L252 W256 P264 V265 Y266	V225-V320 HydrophobicContact CG1-CG1 4.48Å; V225-V320 HydrophobicContact CG1-CG2 3.71Å; V229-V320 HydrophobicContact CG1-CG2 3.73Å; V235-V320 HydrophobicContact CB-CG1 4.31Å; V235-V320 HydrophobicContact CB-CG2 4.25Å; V235-V320 CarbonylContact O-C 3.51Å; V235-V320 WeakPolarHBondContact O-CA 3.36Å; I237-V320 HydrophobicContact CD1-CG1 3.71Å; I237-V320 HydrophobicContact CG1-CG1 4.39Å; L252-V320 HydrophobicContact CD2-CB 4.46Å; L252-V320 HydrophobicContact CD2-CG1 3.9Å; W256-V320 HydrophobicContact CH2-CG2 3.92Å; W256-V320 HydrophobicContact CZ2-CG2 4.04Å; P264-V320 PolarHBondContact O-N 3.16Å; V265-V320 CarbonylContact C-O 3.56Å; V265-V320 WeakPolarHBondContact CA-O 3.41Å; V265-V320 HydrophobicContact CB-CB 4.43Å; V265-V320 HydrophobicContact CG1-CB 4.08Å; V265-V320 HydrophobicContact CG1-CG1 4.28Å; V265-V320 HydrophobicContact CG2-CB 4.17Å; V265-V320 HydrophobicContact CG2-CG2 4.42Å; Y266-V320 PolarHBondContact N-O 2.92Å
321	L	96.5	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117	178.8	174.6	60.3	0	0	0	111.4	V235 L236 I237 Y266 F308 A323 M336 W340	V235-L321 PolarHBondContact O-N 2.63Å; L236-L321 HydrophobicContact CD1-CD2 4.21Å; L236-L321 HydrophobicContact CD1-CG 4.29Å; I237-L321 PolarHBondContact N-O 3.25Å; Y266-L321 WeakPolarHBondContact O-CA 3.25Å; F308-L321 HydrophobicContact CB-CD1 3.67Å; F308-L321 HydrophobicContact CD1-CD1 4.28Å; F308-L321 HydrophobicContact CD1-CD2 4.35Å; F308-L321 HydrophobicContact CD2-CD1 3.59Å; F308-L321 HydrophobicContact CD2-CD2 4.03Å; F308-L321 HydrophobicContact CD2-CG 4.36Å; F308-L321 HydrophobicContact CE1-CD2 4.24Å; F308-L321 HydrophobicContact CE2-CD1 4.27Å; F308-L321 HydrophobicContact CE2-CD2 3.87Å; F308-L321 HydrophobicContact CG-CD1 3.56Å; F308-L321 HydrophobicContact CG-CD2 4.23Å; F308-L321 HydrophobicContact CZ-CD2 3.97Å; L321-A323 HydrophobicContact CD2-CB 4.33Å; L321-A323 HydrophobicContact CG-CB 4.14Å; L321-M336 HydrophobicContact CD2-CB 4.14Å; L321-M336 HydrophobicContact CD2-CG 3.56Å; L321-M336 HydrophobicContact CD2-SD 4.16Å; L321-W340 HydrophobicContact CB-CH2 3.74Å; L321-W340 HydrophobicContact CB-CZ3 3.93Å; L321-W340 HydrophobicContact CD2-CH2 3.55Å; L321-W340 HydrophobicContact CD2-CZ2 4.36Å; L321-W340 HydrophobicContact CD2-CZ3 4.03Å; L321-W340 HydrophobicContact CG-CH2 4.3Å
322	F	94.7	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.8	162.2	-65.6	-82.3	0	0	0	109.7	I237 V239 L248 L252 V265 Y266 F267 S268 I305	I237-F322 HydrophobicContact CB-CD1 3.83Å; I237-F322 HydrophobicContact CB-CE1 4.06Å; I237-F322 HydrophobicContact CD1-CD1 4.11Å; I237-F322 HydrophobicContact CD1-CE1 3.57Å; I237-F322 HydrophobicContact CD1-CE2 4.44Å; I237-F322 HydrophobicContact CD1-CZ 3.77Å; I237-F322 HydrophobicContact CG1-CE1 4.41Å; I237-F322 HydrophobicContact CG2-CD1 3.93Å; I237-F322 HydrophobicContact CG2-CE1 3.93Å; I237-F322 WeakPolarHBondContact O-CA 3.38Å; V239-F322 HydrophobicContact CG1-CD1 3.98Å; V239-F322 HydrophobicContact CG2-CB 4.03Å; V239-F322 HydrophobicContact CG2-CD1 4.32Å; L248-F322 HydrophobicContact CB-CE1 3.74Å; L248-F322 HydrophobicContact CB-CZ 4.2Å; L248-F322 HydrophobicContact CD1-CE1 4.42Å; L252-F322 HydrophobicContact CB-CZ 4.44Å; L252-F322 HydrophobicContact CD2-CE2 3.65Å; L252-F322 HydrophobicContact CD2-CZ 3.82Å; V265-F322 HydrophobicContact CG1-CD2 4.23Å; V265-F322 HydrophobicContact CG1-CE2 3.95Å; Y266-F322 PolarHBondContact O-N 3.06Å; F267-F322 WeakPolarHBondContact CA-O 2.87Å; F267-F322 HydrophobicContact CB-CB 4.38Å; F267-F322 HydrophobicContact CD1-CB 4.38Å; F267-F322 HydrophobicContact CD2-CB 3.46Å; F267-F322 VanDerWaalsContact CD2-CB 3.46Å; F267-F322 HydrophobicContact CD2-CD2 4.17Å; F267-F322 AromaticContact CD2-CG 3.95Å; F267-F322 HydrophobicContact CD2-CG 3.95Å; F267-F322 HydrophobicContact CE2-CB 3.75Å; F267-F322 HydrophobicContact CE2-CG 4.2Å; F267-F322 HydrophobicContact CG-CB 3.82Å; F267-F322 HydrophobicContact CZ-CB 4.34Å; S268-F322 PolarHBondContact N-O 3.37Å; S268-F322 PolarHBondContact OG-O 2.9Å; I305-F322 HydrophobicContact CD1-CE2 4.35Å
323	A	92.7	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	-174.9	0	0	0	0	0	114.2	L236 I237 P238 V239 S268 L321 Q332 S333	L236-A323 HydrophobicContact CD1-CB 3.74Å; I237-A323 PolarHBondContact O-N 3.37Å; P238-A323 CarbonylContact C-O 3.59Å; P238-A323 VanDerWaalsContact CA-O 3.24Å; P238-A323 WeakPolarHBondContact CA-O 3.42Å; V239-A323 PolarHBondContact N-O 2.98Å; S268-A323 VanDerWaalsContact OG-CA 3.28Å; S268-A323 WeakPolarHBondContact OG-CA 3.33Å; L321-A323 HydrophobicContact CD2-CB 4.33Å; L321-A323 HydrophobicContact CG-CB 4.14Å; A323-Q332 HydrophobicContact CB-CG 4.31Å; A323-S333 VanDerWaalsContact CB-CA 3.5Å; A323-S333 WeakPolarHBondContact O-CB 3.33Å
324	T	88.4	Confident	91.4	Very high	12 Å²	12	26 Å²	26	7%	0.074	16%	0.163	C	C	.	.	S	Bend	trans	-94.8	148.5	177.7	56.4	0	0	0	0	112.1	V239 A241 F267 L271 Q332 S333	V239-T324 WeakPolarHBondContact O-CA 3.43Å; V239-T324 WeakPolarHBondContact O-CG2 3.4Å; A241-T324 HydrophobicContact CB-CG2 4.34Å; F267-T324 HydrophobicContact CE1-CG2 4.47Å; L271-T324 HydrophobicContact CD1-CG2 4.01Å; T324-Q332 PolarHBondContact O-N 3.05Å; T324-S333 PolarHBondContact O-N 3.37Å; T324-S333 PolarHBondContact O-OG 3.18Å
325	P	86.9	Confident	91.4	Very high	18 Å²	18	25.2 Å²	25.2	12%	0.117	15%	0.151	C	C	.	.			cis	-87	168.8	-7.8	35.5	-33.6	0	0	0	113.5	V239 M327 H329 S330 S333	V239-P325 CarbonylContact O-C 3.53Å; P325-M327 PolarHBondContact O-N 2.87Å; P325-H329 WeakPolarHBondContact CG-CE1 3.46Å; P325-S330 WeakPolarHBondContact CD-O 3.22Å; P325-S333 WeakPolarHBondContact CD-OG 3.35Å; P325-S333 WeakPolarHBondContact O-CB 3.39Å; P325-S333 PolarHBondContact O-OG 2.95Å
326	G	88.2	Confident	91.5	Very high	6 Å²	6	21.6 Å²	21.6	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.3	-170.5	0	0	0	0	0	117.1	P238 V239	P238-G326 WeakPolarHBondContact CB-O 3.33Å; V239-G326 VanDerWaalsContact C-CA 3.47Å; V239-G326 PolarHBondContact O-N 3.4Å; V239-G326 VanDerWaalsContact O-N 3.09Å
327	M	90.2	Very high	91.8	Very high	15 Å²	15	15.7 Å²	15.7	7%	0.074	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.4	-175.6	-54.5	-179.3	177.5	0	0	114.3	M35 F240 P325 H329 C354 V355 T358 G360	M35-M327 HydrophobicContact CB-SD 4.21Å; M35-M327 HydrophobicContact CG-SD 4.43Å; F240-M327 HydrophobicContact CE1-CG 4.5Å; F240-M327 HydrophobicContact CZ-CE 3.84Å; F240-M327 HydrophobicContact CZ-CG 3.76Å; F240-M327 HydrophobicContact CZ-SD 4.39Å; P325-M327 PolarHBondContact O-N 2.87Å; M327-H329 PolarHBondContact O-N 3.42Å; M327-C354 HydrophobicContact CB-CB 4.46Å; M327-V355 HydrophobicContact SD-CB 4.38Å; M327-V355 HydrophobicContact SD-CG1 3.9Å; M327-T358 HydrophobicContact CB-CG2 4.21Å; M327-T358 HydrophobicContact SD-CG2 4.49Å; M327-G360 WeakPolarHBondContact O-CA 3.49Å; M327-G360 PolarHBondContact O-N 3.49Å
328	L	90.7	Very high	91.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	53.2	22.3	-175.8	-73.3	176.7	0	0	0	114.8	L236 P238 S333 F337 V348 M350 I359 V363	L236-L328 HydrophobicContact CD2-CD2 4.22Å; P238-L328 HydrophobicContact CB-CD2 4Å; P238-L328 HydrophobicContact CB-CG 3.96Å; P238-L328 HydrophobicContact CG-CD1 4.05Å; P238-L328 HydrophobicContact CG-CD2 3.46Å; P238-L328 VanDerWaalsContact CG-CD2 3.46Å; P238-L328 HydrophobicContact CG-CG 3.56Å; L328-S333 WeakPolarHBondContact CD2-O 3.36Å; L328-F337 HydrophobicContact CD1-CD2 3.93Å; L328-F337 HydrophobicContact CD1-CE2 4.37Å; L328-F337 HydrophobicContact CD1-CG 4.23Å; L328-F337 HydrophobicContact CD2-CB 3.82Å; L328-F337 HydrophobicContact CD2-CG 4.28Å; L328-V348 HydrophobicContact CD1-CG2 4.24Å; L328-M350 HydrophobicContact CD1-CE 3.87Å; L328-M350 HydrophobicContact CD1-SD 3.45Å; L328-M350 WeakPolarHBondContact CD1-SD 3.43Å; L328-M350 HydrophobicContact CG-CE 3.99Å; L328-M350 HydrophobicContact CG-SD 4.02Å; L328-I359 HydrophobicContact CB-CB 4.34Å; L328-I359 WeakPolarHBondContact O-CB 3.23Å; L328-V363 HydrophobicContact CD1-CG2 4.23Å
329	H	85.4	Confident	91.6	Very high	15 Å²	15	19.9 Å²	19.9	7%	0.069	10%	0.1	C	C	.	.	S	Bend	trans	-84.2	-17.2	-173.9	66.9	-89	0	0	0	113.1	P325 M327 T358	P325-H329 WeakPolarHBondContact CG-CE1 3.46Å; M327-H329 PolarHBondContact O-N 3.42Å; H329-T358 HydrophobicContact CB-CG2 3.72Å
330	S	85.2	Confident	91.5	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.07	10%	0.101	C	C	.	.	S	Bend	trans	-167.5	-169.2	-175.3	71.9	0	0	0	0	111.6	V108 P325 S333 L334	V108-S330 VanDerWaalsContact CG1-CB 3.49Å; P325-S330 WeakPolarHBondContact CD-O 3.22Å; S330-S333 PolarHBondContact O-OG 3.46Å; S330-L334 VanDerWaalsContact O-CB 3.23Å; S330-L334 WeakPolarHBondContact O-CB 3.24Å; S330-L334 PolarHBondContact O-N 3.19Å
331	G	86.3	Confident	91.4	Very high	28 Å²	28	20.3 Å²	20.3	29%	0.289	10%	0.101	S	C	.	.	H	α-helix	trans	63.5	-155.8	166.6	0	0	0	0	0	116	R335	G331-R335 WeakPolarHBondContact O-CB 3.13Å; G331-R335 PolarHBondContact O-N 2.86Å; G331-R335 VanDerWaalsContact O-N 3.08Å
332	Q	89	Confident	91.4	Very high	31 Å²	31	23.1 Å²	23.1	15%	0.145	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-39.9	-174.7	-175.9	61	18.9	0	0	112.3	S268 A323 T324 L334 R335 M336	S268-Q332 WeakPolarHBondContact OG-CG 3.33Å; A323-Q332 HydrophobicContact CB-CG 4.31Å; T324-Q332 PolarHBondContact O-N 3.05Å; Q332-L334 PolarHBondContact O-N 3.24Å; Q332-R335 PolarHBondContact O-N 3.43Å; Q332-M336 HydrophobicContact CG-CG 4.26Å; Q332-M336 VanDerWaalsContact NE2-CG 3.26Å; Q332-M336 PolarHBondContact NE2-SD 3.03Å; Q332-M336 VanDerWaalsContact O-CG 3.28Å; Q332-M336 WeakPolarHBondContact O-CG 3.32Å; Q332-M336 PolarHBondContact O-N 2.92Å
333	S	92.1	Very high	91.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-45.9	-179.1	68.5	0	0	0	0	111.3	A323 T324 P325 L328 S330 M336 F337	A323-S333 VanDerWaalsContact CB-CA 3.5Å; A323-S333 WeakPolarHBondContact O-CB 3.33Å; T324-S333 PolarHBondContact O-N 3.37Å; T324-S333 PolarHBondContact O-OG 3.18Å; P325-S333 WeakPolarHBondContact CD-OG 3.35Å; P325-S333 WeakPolarHBondContact O-CB 3.39Å; P325-S333 PolarHBondContact O-OG 2.95Å; L328-S333 WeakPolarHBondContact CD2-O 3.36Å; S330-S333 PolarHBondContact O-OG 3.46Å; S333-M336 PolarHBondContact O-N 2.91Å; S333-F337 VanDerWaalsContact O-CB 3.28Å; S333-F337 WeakPolarHBondContact O-CB 3.36Å; S333-F337 PolarHBondContact O-N 3.21Å
334	L	91.7	Very high	91.6	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-40	174.6	-178.7	56.8	0	0	0	111.7	S330 Q332 M336 F337 K338 I359	S330-L334 VanDerWaalsContact O-CB 3.23Å; S330-L334 WeakPolarHBondContact O-CB 3.24Å; S330-L334 PolarHBondContact O-N 3.19Å; Q332-L334 PolarHBondContact O-N 3.24Å; L334-M336 VanDerWaalsContact C-N 3.34Å; L334-M336 PolarHBondContact O-N 2.88Å; L334-F337 HydrophobicContact CD1-CD1 4.37Å; L334-F337 PolarHBondContact O-N 2.96Å; L334-K338 HydrophobicContact CD1-CG 4.12Å; L334-K338 HydrophobicContact CG-CD 4.37Å; L334-K338 HydrophobicContact CG-CG 4.42Å; L334-K338 VanDerWaalsContact O-CG 3.3Å; L334-K338 WeakPolarHBondContact O-CG 3.48Å; L334-K338 PolarHBondContact O-N 3.27Å; L334-I359 HydrophobicContact CD1-CB 4.24Å; L334-I359 HydrophobicContact CD1-CG1 3.95Å; L334-I359 HydrophobicContact CD1-CG2 4.2Å
335	R	91.4	Very high	92	Very high	98 Å²	98	38.3 Å²	38.3	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-44.3	178.3	-171.3	170.9	69.6	158.8	3.9	112.1	G331 Q332 K339	G331-R335 WeakPolarHBondContact O-CB 3.13Å; G331-R335 PolarHBondContact O-N 2.86Å; G331-R335 VanDerWaalsContact O-N 3.08Å; Q332-R335 PolarHBondContact O-N 3.43Å; R335-K339 PolarHBondContact O-N 3.07Å
336	M	94.4	Very high	92.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-39.4	178.1	-61.7	-64	95.2	0	0	111.7	L236 F308 A313 L321 Q332 S333 L334 K338 K339 W340	L236-M336 HydrophobicContact CD1-CB 4.01Å; L236-M336 HydrophobicContact CD2-CB 4.42Å; F308-M336 HydrophobicContact CE1-SD 3.73Å; F308-M336 HydrophobicContact CZ-SD 3.61Å; A313-M336 HydrophobicContact CB-CE 3.86Å; A313-M336 HydrophobicContact CB-SD 3.65Å; L321-M336 HydrophobicContact CD2-CB 4.14Å; L321-M336 HydrophobicContact CD2-CG 3.56Å; L321-M336 HydrophobicContact CD2-SD 4.16Å; Q332-M336 HydrophobicContact CG-CG 4.26Å; Q332-M336 VanDerWaalsContact NE2-CG 3.26Å; Q332-M336 PolarHBondContact NE2-SD 3.03Å; Q332-M336 VanDerWaalsContact O-CG 3.28Å; Q332-M336 WeakPolarHBondContact O-CG 3.32Å; Q332-M336 PolarHBondContact O-N 2.92Å; S333-M336 PolarHBondContact O-N 2.91Å; L334-M336 VanDerWaalsContact C-N 3.34Å; L334-M336 PolarHBondContact O-N 2.88Å; M336-K338 VanDerWaalsContact C-N 3.32Å; M336-K338 PolarHBondContact O-N 3.28Å; M336-K339 HydrophobicContact CE-CD 3.97Å; M336-K339 PolarHBondContact O-N 3.48Å; M336-K339 VanDerWaalsContact O-N 3.11Å; M336-W340 HydrophobicContact CB-CD2 4.5Å; M336-W340 HydrophobicContact CB-CE3 4.42Å; M336-W340 HydrophobicContact CB-CZ3 4.49Å; M336-W340 WeakPolarHBondContact O-CB 3.17Å; M336-W340 PolarHBondContact O-N 3.4Å; M336-W340 HydrophobicContact SD-CZ2 4.21Å
337	F	95.7	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-55.8	-48.5	172.8	179.6	-93.7	0	0	0	111.1	L236 L328 S333 L334 K339 W340 A341 V348 I359 V363 L370 L378 V380 L382	L236-F337 HydrophobicContact CD2-CB 3.67Å; L236-F337 HydrophobicContact CD2-CD2 4.3Å; L328-F337 HydrophobicContact CD1-CD2 3.93Å; L328-F337 HydrophobicContact CD1-CE2 4.37Å; L328-F337 HydrophobicContact CD1-CG 4.23Å; L328-F337 HydrophobicContact CD2-CB 3.82Å; L328-F337 HydrophobicContact CD2-CG 4.28Å; S333-F337 VanDerWaalsContact O-CB 3.28Å; S333-F337 WeakPolarHBondContact O-CB 3.36Å; S333-F337 PolarHBondContact O-N 3.21Å; L334-F337 HydrophobicContact CD1-CD1 4.37Å; L334-F337 PolarHBondContact O-N 2.96Å; F337-K339 VanDerWaalsContact C-N 3.25Å; F337-K339 PolarHBondContact O-N 3.12Å; F337-W340 PolarHBondContact O-N 3.02Å; F337-A341 HydrophobicContact CD1-CB 4.45Å; F337-A341 HydrophobicContact CE1-CB 4.08Å; F337-A341 HydrophobicContact CE2-CB 4.36Å; F337-A341 HydrophobicContact CZ-CB 4.01Å; F337-A341 WeakPolarHBondContact O-CB 3.35Å; F337-A341 PolarHBondContact O-N 3.1Å; F337-V348 HydrophobicContact CD2-CB 4.48Å; F337-V348 HydrophobicContact CD2-CG2 4.41Å; F337-V348 HydrophobicContact CE2-CG1 4.19Å; F337-I359 HydrophobicContact CD1-CG2 4.29Å; F337-I359 HydrophobicContact CE1-CG2 4.05Å; F337-V363 HydrophobicContact CE1-CG1 4.23Å; F337-V363 HydrophobicContact CE2-CG1 4.13Å; F337-V363 HydrophobicContact CZ-CG1 3.53Å; F337-L370 HydrophobicContact CE1-CD1 3.61Å; F337-L370 HydrophobicContact CZ-CD1 4.04Å; F337-L378 HydrophobicContact CD1-CD2 4.24Å; F337-L378 HydrophobicContact CE1-CD2 3.9Å; F337-V380 HydrophobicContact CZ-CG1 4.14Å; F337-V380 HydrophobicContact CZ-CG2 4.05Å; F337-L382 HydrophobicContact CD2-CD2 4.35Å; F337-L382 HydrophobicContact CE2-CD1 4.18Å; F337-L382 HydrophobicContact CE2-CD2 4.21Å
338	K	93.9	Very high	93.4	Very high	64 Å²	64	37 Å²	37	28%	0.278	18%	0.182	S	C	.	.	H	α-helix	trans	-57.8	-36.5	177.3	-70.8	-179.2	179.8	179.2	0	112.8	L334 M336 I372 E373 L378	L334-K338 HydrophobicContact CD1-CG 4.12Å; L334-K338 HydrophobicContact CG-CD 4.37Å; L334-K338 HydrophobicContact CG-CG 4.42Å; L334-K338 VanDerWaalsContact O-CG 3.3Å; L334-K338 WeakPolarHBondContact O-CG 3.48Å; L334-K338 PolarHBondContact O-N 3.27Å; M336-K338 VanDerWaalsContact C-N 3.32Å; M336-K338 PolarHBondContact O-N 3.28Å; K338-I372 HydrophobicContact CD-CD1 3.99Å; K338-I372 HydrophobicContact CD-CG2 4.22Å; K338-I372 HydrophobicContact CG-CD1 3.79Å; K338-E373 IonicContact NZ-OE2 4Å; K338-E373 PolarHBondContact NZ-OE2 2.92Å; K338-L378 HydrophobicContact CG-CD2 4.41Å
339	K	93.7	Very high	93.8	Very high	98 Å²	98	37 Å²	37	43%	0.426	18%	0.182	S	C	.	.	H	α-helix	trans	-74.4	-39.1	177.8	-77.7	-167.2	167.2	-158.9	0	113.2	A313 D314 R335 M336 F337	A313-K339 HydrophobicContact CB-CD 4.04Å; D314-K339 IonicContact OD1-NZ 3.37Å; D314-K339 PolarHBondContact OD1-NZ 3.4Å; D314-K339 IonicContact OD2-NZ 2.78Å; D314-K339 PolarHBondContact OD2-NZ 2.87Å; R335-K339 PolarHBondContact O-N 3.07Å; M336-K339 HydrophobicContact CE-CD 3.97Å; M336-K339 PolarHBondContact O-N 3.48Å; M336-K339 VanDerWaalsContact O-N 3.11Å; F337-K339 VanDerWaalsContact C-N 3.25Å; F337-K339 PolarHBondContact O-N 3.12Å
340	W	96.3	Very high	94.2	Very high	11 Å²	11	36.3 Å²	36.3	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-99.7	-12	-168.7	-61.9	-14.3	0	0	0	114.1	K234 L236 A313 M319 L321 M336 F337 S342 D343 N346	K234-W340 HydrophobicContact CB-CD2 4.3Å; K234-W340 HydrophobicContact CB-CE3 4.08Å; K234-W340 HydrophobicContact CB-CZ3 4.24Å; K234-W340 HydrophobicContact CD-CD2 3.92Å; K234-W340 HydrophobicContact CD-CE3 4.46Å; K234-W340 HydrophobicContact CD-CG 4.25Å; K234-W340 HydrophobicContact CD-CH2 4.44Å; K234-W340 HydrophobicContact CD-CZ2 3.89Å; L236-W340 HydrophobicContact CB-CE3 4.03Å; L236-W340 HydrophobicContact CB-CZ3 4.09Å; L236-W340 HydrophobicContact CD1-CZ3 4.21Å; A313-W340 PolarHBondContact O-NE1 2.92Å; A313-W340 VanDerWaalsContact O-NE1 3.09Å; M319-W340 HydrophobicContact CG-CH2 4.26Å; M319-W340 HydrophobicContact SD-CH2 3.94Å; M319-W340 HydrophobicContact SD-CZ2 3.8Å; L321-W340 HydrophobicContact CB-CH2 3.74Å; L321-W340 HydrophobicContact CB-CZ3 3.93Å; L321-W340 HydrophobicContact CD2-CH2 3.55Å; L321-W340 HydrophobicContact CD2-CZ2 4.36Å; L321-W340 HydrophobicContact CD2-CZ3 4.03Å; L321-W340 HydrophobicContact CG-CH2 4.3Å; M336-W340 HydrophobicContact CB-CD2 4.5Å; M336-W340 HydrophobicContact CB-CE3 4.42Å; M336-W340 HydrophobicContact CB-CZ3 4.49Å; M336-W340 WeakPolarHBondContact O-CB 3.17Å; M336-W340 PolarHBondContact O-N 3.4Å; M336-W340 HydrophobicContact SD-CZ2 4.21Å; F337-W340 PolarHBondContact O-N 3.02Å; W340-S342 VanDerWaalsContact C-N 3.28Å; W340-S342 PolarHBondContact O-N 2.8Å; W340-D343 PolarHBondContact O-N 3.32Å; W340-N346 PolarHBondContact O-ND2 3.22Å; W340-N346 VanDerWaalsContact O-ND2 3.08Å
341	A	96.5	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.1	-172.5	0	0	0	0	0	115.5	F337 D343 L378 K381 L382	F337-A341 HydrophobicContact CD1-CB 4.45Å; F337-A341 HydrophobicContact CE1-CB 4.08Å; F337-A341 HydrophobicContact CE2-CB 4.36Å; F337-A341 HydrophobicContact CZ-CB 4.01Å; F337-A341 WeakPolarHBondContact O-CB 3.35Å; F337-A341 PolarHBondContact O-N 3.1Å; A341-D343 VanDerWaalsContact C-N 3.33Å; A341-D343 PolarHBondContact O-N 3.46Å; A341-L378 HydrophobicContact CB-CD1 4.14Å; A341-L378 HydrophobicContact CB-CD2 3.71Å; A341-L378 HydrophobicContact CB-CG 4.05Å; A341-K381 PolarHBondContact O-N 2.85Å; A341-L382 VanDerWaalsContact CA-CD2 3.49Å; A341-L382 HydrophobicContact CB-CD2 4.26Å; A341-L382 HydrophobicContact CB-CG 4.42Å; A341-L382 PolarHBondContact O-N 3.33Å
342	S	95	Very high	94.6	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.2	-173.7	-55.2	0	0	0	0	114.4	W340 L378 E379 K381	W340-S342 VanDerWaalsContact C-N 3.28Å; W340-S342 PolarHBondContact O-N 2.8Å; S342-L378 WeakPolarHBondContact OG-CD1 3.33Å; S342-E379 PolarHBondContact OG-O 2.98Å; S342-K381 WeakPolarHBondContact O-CD 3.33Å
343	D	96	Very high	94.6	Very high	70 Å²	70	36 Å²	36	37%	0.374	17%	0.173	S	C	.	.			trans	-108.2	120.8	176	-179.2	-9	0	0	0	110.1	W340 A341 K345 N346 L382	W340-D343 PolarHBondContact O-N 3.32Å; A341-D343 VanDerWaalsContact C-N 3.33Å; A341-D343 PolarHBondContact O-N 3.46Å; D343-K345 VanDerWaalsContact C-N 3.26Å; D343-K345 PolarHBondContact O-N 2.77Å; D343-K345 WeakPolarHBondContact OD1-CB 3.45Å; D343-K345 PolarHBondContact OD1-N 2.88Å; D343-N346 WeakPolarHBondContact CB-ND2 3.38Å; D343-N346 WeakPolarHBondContact O-CB 3.36Å; D343-N346 PolarHBondContact O-N 2.75Å; D343-L382 WeakPolarHBondContact O-CA 3.3Å; D343-L382 WeakPolarHBondContact O-CB 3.36Å
344	E	96.9	Very high	94.5	Very high	145 Å²	145	36.2 Å²	36.2	68%	0.678	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.9	-177.9	64.4	-173.8	-163.9	0	0	114.1	N346 K381	E344-N346 PolarHBondContact O-N 2.79Å; E344-K381 HydrophobicContact CB-CB 4.33Å
345	K	97	Very high	94.3	Very high	116 Å²	116	35.6 Å²	35.6	50%	0.504	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	174.2	-65.3	-177.2	179.9	-179.4	0	111.3	C228 R231 G233 D343	C228-K345 PolarHBondContact SG-O 3.26Å; C228-K345 VanDerWaalsContact SG-O 3.36Å; R231-K345 PolarHBondContact NE-O 2.82Å; R231-K345 PolarHBondContact NH2-O 2.81Å; G233-K345 WeakPolarHBondContact CA-O 3.26Å; D343-K345 VanDerWaalsContact C-N 3.26Å; D343-K345 PolarHBondContact O-N 2.77Å; D343-K345 WeakPolarHBondContact OD1-CB 3.45Å; D343-K345 PolarHBondContact OD1-N 2.88Å
346	N	98.2	Very high	94.2	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	19%	0.186	C	C	.	.			trans	-76.2	163.5	-176.7	-62.4	-23.5	0	0	0	111.8	K234 W340 D343 E344 L382 S383	K234-N346 WeakPolarHBondContact CB-OD1 3.11Å; K234-N346 PolarHBondContact N-OD1 2.78Å; K234-N346 CarbonylContact O-C 3.5Å; K234-N346 VanDerWaalsContact O-CA 3.25Å; K234-N346 WeakPolarHBondContact O-CA 3.3Å; K234-N346 WeakPolarHBondContact O-CB 3.49Å; W340-N346 PolarHBondContact O-ND2 3.22Å; W340-N346 VanDerWaalsContact O-ND2 3.08Å; D343-N346 WeakPolarHBondContact CB-ND2 3.38Å; D343-N346 WeakPolarHBondContact O-CB 3.36Å; D343-N346 PolarHBondContact O-N 2.75Å; E344-N346 PolarHBondContact O-N 2.79Å; N346-L382 HydrophobicContact CB-CB 3.95Å; N346-L382 HydrophobicContact CB-CD2 4.47Å; N346-L382 WeakPolarHBondContact O-CA 3.5Å; N346-L382 VanDerWaalsContact O-CB 3.31Å; N346-L382 WeakPolarHBondContact O-CB 3.44Å; N346-S383 PolarHBondContact O-N 3.18Å; N346-S383 PolarHBondContact O-OG 3.25Å
347	M	98.4	Very high	93.8	Very high	5 Å²	5	40 Å²	40	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.8	177.6	-178.9	169.8	62.3	0	0	110.3	K224 C228 K234 V235 L236 I349 S383 E385	K224-M347 HydrophobicContact CB-CE 4.15Å; K224-M347 HydrophobicContact CB-SD 4.35Å; K224-M347 VanDerWaalsContact O-CE 3.31Å; K224-M347 WeakPolarHBondContact O-CE 3.34Å; C228-M347 HydrophobicContact CB-CB 4.42Å; C228-M347 HydrophobicContact CB-CE 3.64Å; K234-M347 PolarHBondContact O-N 3.21Å; V235-M347 CarbonylContact C-O 3.59Å; V235-M347 WeakPolarHBondContact CA-O 3.32Å; V235-M347 HydrophobicContact CG1-CE 3.88Å; V235-M347 HydrophobicContact CG2-CE 3.86Å; L236-M347 PolarHBondContact N-O 2.94Å; M347-I349 HydrophobicContact CE-CD1 3.68Å; M347-I349 HydrophobicContact CE-CG1 3.79Å; M347-I349 HydrophobicContact CG-CG1 4.18Å; M347-I349 HydrophobicContact SD-CD1 4.49Å; M347-I349 HydrophobicContact SD-CG1 4.12Å; M347-S383 CarbonylContact C-O 3.59Å; M347-S383 VanDerWaalsContact CA-O 3.3Å; M347-S383 WeakPolarHBondContact CA-O 3.4Å; M347-S383 VanDerWaalsContact CB-OG 3.25Å; M347-S383 WeakPolarHBondContact CB-OG 3.46Å; M347-S383 WeakPolarHBondContact CG-O 3.35Å; M347-S383 VanDerWaalsContact CG-OG 3.23Å; M347-S383 WeakPolarHBondContact CG-OG 3.4Å; M347-E385 HydrophobicContact CG-CG 4.11Å; M347-E385 HydrophobicContact SD-CB 4.32Å; M347-E385 HydrophobicContact SD-CG 3.54Å; M347-E385 VanDerWaalsContact SD-CG 3.54Å
348	V	98.2	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.5	162.2	71	0	0	0	0	109.2	L236 P238 L328 F337 M350 L382 S383 V384 E385	L236-V348 HydrophobicContact CB-CB 4.45Å; L236-V348 HydrophobicContact CB-CG2 4.12Å; L236-V348 HydrophobicContact CD2-CG2 4.08Å; L236-V348 HydrophobicContact CG-CG2 4.15Å; L236-V348 CarbonylContact O-C 3.55Å; L236-V348 WeakPolarHBondContact O-CA 3.25Å; P238-V348 HydrophobicContact CG-CG2 3.9Å; L328-V348 HydrophobicContact CD1-CG2 4.24Å; F337-V348 HydrophobicContact CD2-CB 4.48Å; F337-V348 HydrophobicContact CD2-CG2 4.41Å; F337-V348 HydrophobicContact CE2-CG1 4.19Å; V348-M350 HydrophobicContact CG2-SD 3.86Å; V348-L382 HydrophobicContact CB-CD1 3.99Å; V348-L382 HydrophobicContact CB-CD2 4.38Å; V348-L382 HydrophobicContact CG1-CD1 3.5Å; V348-L382 VanDerWaalsContact CG1-CD1 3.5Å; V348-S383 PolarHBondContact N-O 3.15Å; V348-V384 HydrophobicContact CG1-CB 4.15Å; V348-V384 HydrophobicContact CG1-CG1 3.99Å; V348-V384 HydrophobicContact CG1-CG2 3.87Å; V348-E385 PolarHBondContact O-N 3.18Å
349	I	97.7	Very high	93.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	171.8	-57.8	-179.6	0	0	0	107.6	F221 V225 V235 L236 I237 P238 M347 P351 E385 M387	F221-I349 HydrophobicContact CD2-CD1 3.89Å; F221-I349 HydrophobicContact CD2-CG2 4.24Å; F221-I349 HydrophobicContact CE2-CD1 3.89Å; F221-I349 HydrophobicContact CE2-CG2 4.38Å; V225-I349 HydrophobicContact CG2-CD1 3.47Å; V225-I349 VanDerWaalsContact CG2-CD1 3.47Å; V235-I349 HydrophobicContact CG1-CD1 4.06Å; V235-I349 HydrophobicContact CG1-CG1 4.19Å; L236-I349 PolarHBondContact O-N 3.45Å; I237-I349 HydrophobicContact CG1-CB 4.45Å; P238-I349 VanDerWaalsContact CD-O 3.24Å; P238-I349 WeakPolarHBondContact CD-O 3.26Å; M347-I349 HydrophobicContact CE-CD1 3.68Å; M347-I349 HydrophobicContact CE-CG1 3.79Å; M347-I349 HydrophobicContact CG-CG1 4.18Å; M347-I349 HydrophobicContact SD-CD1 4.49Å; M347-I349 HydrophobicContact SD-CG1 4.12Å; I349-P351 VanDerWaalsContact O-CD 3.26Å; I349-P351 WeakPolarHBondContact O-CD 3.43Å; I349-E385 CarbonylContact C-O 3.56Å; I349-E385 WeakPolarHBondContact CA-O 3.01Å; I349-E385 HydrophobicContact CG1-CB 4.19Å; I349-M387 HydrophobicContact CG2-CB 4.23Å; I349-M387 HydrophobicContact CG2-CG 4.05Å; I349-M387 HydrophobicContact CG2-SD 4.09Å
350	M	95.2	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.1	174.5	-61.4	-55.1	-64.2	0	0	109	P238 L328 V348 G352 C354 I364 E385 Y386 M387	P238-M350 HydrophobicContact CB-SD 4.44Å; P238-M350 HydrophobicContact CG-CE 4.44Å; P238-M350 HydrophobicContact CG-SD 3.8Å; L328-M350 HydrophobicContact CD1-CE 3.87Å; L328-M350 HydrophobicContact CD1-SD 3.45Å; L328-M350 WeakPolarHBondContact CD1-SD 3.43Å; L328-M350 HydrophobicContact CG-CE 3.99Å; L328-M350 HydrophobicContact CG-SD 4.02Å; V348-M350 HydrophobicContact CG2-SD 3.86Å; M350-G352 VanDerWaalsContact C-N 3.28Å; M350-G352 PolarHBondContact O-N 2.91Å; M350-C354 WeakPolarHBondContact CE-SG 3.24Å; M350-I364 HydrophobicContact CB-CD1 3.79Å; M350-I364 HydrophobicContact CB-CG1 3.93Å; M350-I364 HydrophobicContact CE-CD1 4.32Å; M350-I364 HydrophobicContact CG-CD1 3.95Å; M350-I364 HydrophobicContact CG-CG1 3.74Å; M350-E385 PolarHBondContact N-O 2.75Å; M350-Y386 HydrophobicContact CB-CD2 4.15Å; M350-M387 PolarHBondContact O-N 3.43Å
351	P	91	Very high	93.4	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.091	19%	0.193	C	C	.	.			trans	-82.9	-3.4	-169.3	34.2	-35.3	0	0	0	113.3	I237 P238 V239 L248 I349 M387 F389 S390	I237-P351 HydrophobicContact CG2-CG 4.45Å; P238-P351 WeakPolarHBondContact O-CD 3.41Å; P238-P351 WeakPolarHBondContact O-CG 3.4Å; V239-P351 HydrophobicContact CG1-CG 4.17Å; L248-P351 HydrophobicContact CD1-CB 3.94Å; I349-P351 VanDerWaalsContact O-CD 3.26Å; I349-P351 WeakPolarHBondContact O-CD 3.43Å; P351-M387 CarbonylContact C-O 3.51Å; P351-M387 WeakPolarHBondContact CA-O 3.4Å; P351-F389 HydrophobicContact CB-CB 4.26Å; P351-F389 CarbonylContact O-C 3.48Å; P351-F389 WeakPolarHBondContact O-CA 3.44Å; P351-F389 WeakPolarHBondContact O-CB 3.2Å; P351-F389 PolarHBondContact O-N 3.05Å; P351-S390 PolarHBondContact O-N 3.26Å
352	G	88.5	Confident	93.3	Very high	16 Å²	16	39.7 Å²	39.7	17%	0.165	21%	0.211	C	C	.	.	S	Bend	trans	-166.5	-179.4	-171.5	0	0	0	0	0	113.2	M350	M350-G352 VanDerWaalsContact C-N 3.28Å; M350-G352 PolarHBondContact O-N 2.91Å
353	Y	87.8	Confident	93.3	Very high	32 Å²	32	37 Å²	37	13%	0.125	19%	0.192	C	C	.	.			trans	-60.3	138.3	-176.6	-174.6	-98	0	0	0	110.8	V13 T205 Y206 V355 E416	V13-Y353 HydrophobicContact CB-CE1 3.76Å; V13-Y353 HydrophobicContact CG1-CD1 3.98Å; V13-Y353 HydrophobicContact CG1-CE1 3.63Å; V13-Y353 HydrophobicContact CG2-CE1 3.87Å; T205-Y353 HydrophobicContact CG2-CD1 4.25Å; T205-Y353 HydrophobicContact CG2-CD2 4.44Å; T205-Y353 HydrophobicContact CG2-CG 4.06Å; Y206-Y353 WeakPolarHBondContact OH-CA 3.43Å; Y206-Y353 VanDerWaalsContact OH-CB 3.28Å; Y206-Y353 WeakPolarHBondContact OH-CB 3.4Å; Y206-Y353 PolarHBondContact OH-N 2.83Å; Y353-V355 HydrophobicContact CE1-CB 4.08Å; Y353-V355 HydrophobicContact CE1-CG2 4.45Å; Y353-E416 WeakPolarHBondContact CE2-OE1 3.25Å; Y353-E416 PolarHBondContact OH-OE1 3.39Å
354	C	91.3	Very high	93.2	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.034	19%	0.187	C	C	.	.			trans	-120.3	119.6	171.7	-66	0	0	0	0	107.9	M327 M350 H361 I364	M327-C354 HydrophobicContact CB-CB 4.46Å; M350-C354 WeakPolarHBondContact CE-SG 3.24Å; C354-H361 HydrophobicContact CB-CB 4.12Å; C354-H361 VanDerWaalsContact CB-N 3.32Å; C354-H361 PolarHBondContact O-CD2 2.8Å; C354-I364 HydrophobicContact CB-CD1 3.98Å
355	V	88	Confident	93.1	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.036	18%	0.182	C	C	.	.			trans	-64.2	148.1	179.8	72	0	0	0	0	111	V13 H34 M35 M327 Y353 T358 H361	V13-V355 WeakPolarHBondContact O-CG2 3.47Å; H34-V355 WeakPolarHBondContact NE2-CG2 3.43Å; M35-V355 HydrophobicContact CB-CG1 4.02Å; M327-V355 HydrophobicContact SD-CB 4.38Å; M327-V355 HydrophobicContact SD-CG1 3.9Å; Y353-V355 HydrophobicContact CE1-CB 4.08Å; Y353-V355 HydrophobicContact CE1-CG2 4.45Å; V355-T358 HydrophobicContact CG1-CG2 3.6Å; V355-T358 WeakPolarHBondContact O-CB 3.35Å; V355-T358 WeakPolarHBondContact O-CG2 3.2Å; V355-T358 PolarHBondContact O-N 2.93Å; V355-T358 PolarHBondContact O-OG1 3.02Å; V355-H361 WeakPolarHBondContact O-CB 3.25Å
356	Q	87.8	Confident	92.9	Very high	143 Å²	143	30.4 Å²	30.4	67%	0.668	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	142.1	174.9	-173.2	177.3	-3.1	0	0	110.9	G36	G36-Q356 WeakPolarHBondContact CA-O 3.49Å
357	G	86.5	Confident	92.7	Very high	49 Å²	49	31.6 Å²	31.6	51%	0.505	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-19.3	-175.7	0	0	0	0	0	114
358	T	90.9	Very high	92.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	22%	0.216	C	C	.	.	S	Bend	trans	-80.6	154.8	176.1	65.9	0	0	0	0	112.7	M327 H329 V355 G360 H361 K362	M327-T358 HydrophobicContact CB-CG2 4.21Å; M327-T358 HydrophobicContact SD-CG2 4.49Å; H329-T358 HydrophobicContact CB-CG2 3.72Å; V355-T358 HydrophobicContact CG1-CG2 3.6Å; V355-T358 WeakPolarHBondContact O-CB 3.35Å; V355-T358 WeakPolarHBondContact O-CG2 3.2Å; V355-T358 PolarHBondContact O-N 2.93Å; V355-T358 PolarHBondContact O-OG1 3.02Å; T358-G360 PolarHBondContact O-N 2.83Å; T358-H361 PolarHBondContact O-N 3Å; T358-H361 PolarHBondContact OG1-N 3.29Å; T358-H361 VanDerWaalsContact OG1-N 3.16Å; T358-K362 PolarHBondContact O-N 3.41Å
359	I	92.2	Very high	92.2	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-36.2	171.3	-59.3	-60.6	0	0	0	110.6	L328 L334 F337 H361 K362 V363 L370	L328-I359 HydrophobicContact CB-CB 4.34Å; L328-I359 WeakPolarHBondContact O-CB 3.23Å; L334-I359 HydrophobicContact CD1-CB 4.24Å; L334-I359 HydrophobicContact CD1-CG1 3.95Å; L334-I359 HydrophobicContact CD1-CG2 4.2Å; F337-I359 HydrophobicContact CD1-CG2 4.29Å; F337-I359 HydrophobicContact CE1-CG2 4.05Å; I359-H361 VanDerWaalsContact C-N 3.31Å; I359-H361 PolarHBondContact O-N 3.02Å; I359-K362 HydrophobicContact CD1-CD 4.28Å; I359-K362 PolarHBondContact O-N 2.88Å; I359-K362 VanDerWaalsContact O-N 3.14Å; I359-V363 HydrophobicContact CG2-CG1 4.21Å; I359-V363 WeakPolarHBondContact O-CG2 3.44Å; I359-V363 PolarHBondContact O-N 2.9Å; I359-L370 HydrophobicContact CG2-CD1 3.87Å
360	G	94.2	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54.8	-46.2	175.2	0	0	0	0	0	112.3	M327 T358 V363 I364	M327-G360 WeakPolarHBondContact O-CA 3.49Å; M327-G360 PolarHBondContact O-N 3.49Å; T358-G360 PolarHBondContact O-N 2.83Å; G360-V363 VanDerWaalsContact O-CG2 3.24Å; G360-V363 WeakPolarHBondContact O-CG2 3.32Å; G360-I364 VanDerWaalsContact O-CD1 3.32Å; G360-I364 WeakPolarHBondContact O-CD1 3.2Å; G360-I364 WeakPolarHBondContact O-CG1 3.48Å; G360-I364 PolarHBondContact O-N 3.26Å; G360-I364 VanDerWaalsContact O-N 3.13Å
361	H	93.7	Very high	91.4	Very high	54 Å²	54	52.8 Å²	52.8	25%	0.25	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-47.8	175.6	-179.1	-79.2	0	0	0	111.6	C354 V355 T358 I359 V363 I364 T365	C354-H361 HydrophobicContact CB-CB 4.12Å; C354-H361 VanDerWaalsContact CB-N 3.32Å; C354-H361 PolarHBondContact O-CD2 2.8Å; V355-H361 WeakPolarHBondContact O-CB 3.25Å; T358-H361 PolarHBondContact O-N 3Å; T358-H361 PolarHBondContact OG1-N 3.29Å; T358-H361 VanDerWaalsContact OG1-N 3.16Å; I359-H361 VanDerWaalsContact C-N 3.31Å; I359-H361 PolarHBondContact O-N 3.02Å; H361-V363 VanDerWaalsContact C-N 3.33Å; H361-V363 PolarHBondContact O-N 3.06Å; H361-I364 PolarHBondContact O-N 2.81Å; H361-T365 WeakPolarHBondContact O-CG2 3.16Å; H361-T365 PolarHBondContact O-N 3.22Å; H361-T365 PolarHBondContact O-OG1 2.95Å; H361-T365 VanDerWaalsContact O-OG1 3.06Å
362	K	94.5	Very high	90.8	Very high	83 Å²	83	53.7 Å²	53.7	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-45.1	-179	-66.3	-178.7	-176.5	-175.6	0	112.2	T358 I359 T365 G366 A367 L370	T358-K362 PolarHBondContact O-N 3.41Å; I359-K362 HydrophobicContact CD1-CD 4.28Å; I359-K362 PolarHBondContact O-N 2.88Å; I359-K362 VanDerWaalsContact O-N 3.14Å; K362-T365 WeakPolarHBondContact CA-OG1 3.25Å; K362-T365 PolarHBondContact O-N 3.15Å; K362-T365 PolarHBondContact O-OG1 2.9Å; K362-G366 PolarHBondContact O-N 2.97Å; K362-A367 HydrophobicContact CB-CB 4.15Å; K362-A367 WeakPolarHBondContact O-CB 3.49Å; K362-A367 PolarHBondContact O-N 2.76Å; K362-L370 HydrophobicContact CB-CD2 3.79Å; K362-L370 HydrophobicContact CD-CD2 3.99Å
363	V	95.1	Very high	89.9	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-71.9	-37.2	-178.5	-60.4	0	0	0	0	112.3	L328 F337 I359 G360 H361 T365 G366 L370 V384	L328-V363 HydrophobicContact CD1-CG2 4.23Å; F337-V363 HydrophobicContact CE1-CG1 4.23Å; F337-V363 HydrophobicContact CE2-CG1 4.13Å; F337-V363 HydrophobicContact CZ-CG1 3.53Å; I359-V363 HydrophobicContact CG2-CG1 4.21Å; I359-V363 WeakPolarHBondContact O-CG2 3.44Å; I359-V363 PolarHBondContact O-N 2.9Å; G360-V363 VanDerWaalsContact O-CG2 3.24Å; G360-V363 WeakPolarHBondContact O-CG2 3.32Å; H361-V363 VanDerWaalsContact C-N 3.33Å; H361-V363 PolarHBondContact O-N 3.06Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.31Å; V363-G366 PolarHBondContact O-N 3.43Å; V363-L370 HydrophobicContact CG1-CD1 3.83Å; V363-L370 HydrophobicContact CG1-CD2 4.49Å; V363-V384 HydrophobicContact CB-CG1 4.26Å; V363-V384 HydrophobicContact CB-CG2 4.24Å; V363-V384 HydrophobicContact CG2-CG1 4.21Å
364	I	94	Very high	88.9	Confident	53 Å²	53	64.3 Å²	64.3	27%	0.272	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-36.7	174.8	-66.8	164.3	0	0	0	110.5	M350 C354 G360 H361 G366 Y386	M350-I364 HydrophobicContact CB-CD1 3.79Å; M350-I364 HydrophobicContact CB-CG1 3.93Å; M350-I364 HydrophobicContact CE-CD1 4.32Å; M350-I364 HydrophobicContact CG-CD1 3.95Å; M350-I364 HydrophobicContact CG-CG1 3.74Å; C354-I364 HydrophobicContact CB-CD1 3.98Å; G360-I364 VanDerWaalsContact O-CD1 3.32Å; G360-I364 WeakPolarHBondContact O-CD1 3.2Å; G360-I364 WeakPolarHBondContact O-CG1 3.48Å; G360-I364 PolarHBondContact O-N 3.26Å; G360-I364 VanDerWaalsContact O-N 3.13Å; H361-I364 PolarHBondContact O-N 2.81Å; I364-G366 PolarHBondContact O-N 3.02Å; I364-Y386 HydrophobicContact CD1-CD2 3.86Å; I364-Y386 HydrophobicContact CD1-CE2 4.25Å; I364-Y386 HydrophobicContact CG1-CD2 4.22Å; I364-Y386 HydrophobicContact CG2-CD2 4.2Å; I364-Y386 HydrophobicContact CG2-CG 4.07Å
365	T	94.1	Very high	87.8	Confident	93 Å²	93	67.6 Å²	67.6	57%	0.571	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	4	175.1	55.3	0	0	0	0	114.4	H361 K362 V363	H361-T365 WeakPolarHBondContact O-CG2 3.16Å; H361-T365 PolarHBondContact O-N 3.22Å; H361-T365 PolarHBondContact O-OG1 2.95Å; H361-T365 VanDerWaalsContact O-OG1 3.06Å; K362-T365 WeakPolarHBondContact CA-OG1 3.25Å; K362-T365 PolarHBondContact O-N 3.15Å; K362-T365 PolarHBondContact O-OG1 2.9Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.31Å
366	G	94	Very high	87.4	Confident	46 Å²	46	74.5 Å²	74.5	47%	0.474	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	14.2	172.4	0	0	0	0	0	115.9	K362 V363 I364 K368	K362-G366 PolarHBondContact O-N 2.97Å; V363-G366 PolarHBondContact O-N 3.43Å; I364-G366 PolarHBondContact O-N 3.02Å; G366-K368 PolarHBondContact O-N 2.92Å; G366-K368 VanDerWaalsContact O-N 3.16Å
367	A	93.2	Very high	87.4	Confident	30 Å²	30	72.5 Å²	72.5	25%	0.248	40%	0.401	C	S	.	.			trans	-60.9	118.6	176.6	0	0	0	0	0	111.4	K362 L370	K362-A367 HydrophobicContact CB-CB 4.15Å; K362-A367 WeakPolarHBondContact O-CB 3.49Å; K362-A367 PolarHBondContact O-N 2.76Å; A367-L370 HydrophobicContact CB-CD2 3.82Å
368	K	93.5	Very high	87.7	Confident	126 Å²	126	71 Å²	71	55%	0.548	38%	0.381	S	S	.	.	S	Bend	trans	-93	-17.2	178.5	-64.2	-58.6	-174.1	177.5	0	114.2	G366 V380	G366-K368 PolarHBondContact O-N 2.92Å; G366-K368 VanDerWaalsContact O-N 3.16Å; K368-V380 PolarHBondContact O-N 3.33Å
369	R	92.5	Very high	87.8	Confident	195 Å²	195	75.1 Å²	75.1	74%	0.736	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.7	173.5	-67.9	-176.2	176.2	-174.3	-1.5	108.3	L378	R369-L378 WeakPolarHBondContact CA-O 3.35Å
370	L	91.3	Very high	88.1	Confident	5 Å²	5	74 Å²	74	3%	0.026	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.6	-179.9	-62.4	172	0	0	0	109.2	F337 I359 K362 V363 A367 I372 T377 L378 V380	F337-L370 HydrophobicContact CE1-CD1 3.61Å; F337-L370 HydrophobicContact CZ-CD1 4.04Å; I359-L370 HydrophobicContact CG2-CD1 3.87Å; K362-L370 HydrophobicContact CB-CD2 3.79Å; K362-L370 HydrophobicContact CD-CD2 3.99Å; V363-L370 HydrophobicContact CG1-CD1 3.83Å; V363-L370 HydrophobicContact CG1-CD2 4.49Å; A367-L370 HydrophobicContact CB-CD2 3.82Å; L370-I372 PolarHBondContact O-N 3.21Å; L370-T377 CarbonylContact O-C 3.57Å; L370-T377 WeakPolarHBondContact O-CA 3.26Å; L370-L378 PolarHBondContact N-O 2.81Å; L370-L378 PolarHBondContact O-N 2.81Å; L370-V380 HydrophobicContact CD1-CG2 3.55Å; L370-V380 HydrophobicContact CG-CG2 3.82Å
371	D	85.1	Confident	88.2	Confident	124 Å²	124	78.7 Å²	78.7	66%	0.663	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	115.5	167.6	-56.8	-44	0	0	0	108.8
372	I	78.7	Confident	88.4	Confident	33 Å²	33	76.2 Å²	76.2	17%	0.169	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	153.9	173.5	-58.8	-174.5	0	0	0	108.6	K338 L370 G375 K376 L378	K338-I372 HydrophobicContact CD-CD1 3.99Å; K338-I372 HydrophobicContact CD-CG2 4.22Å; K338-I372 HydrophobicContact CG-CD1 3.79Å; L370-I372 PolarHBondContact O-N 3.21Å; I372-G375 PolarHBondContact O-N 3.49Å; I372-K376 WeakPolarHBondContact CA-O 3.38Å; I372-K376 VanDerWaalsContact CB-O 3.31Å; I372-K376 WeakPolarHBondContact CB-O 3.27Å; I372-K376 PolarHBondContact N-O 3.19Å; I372-K376 PolarHBondContact O-N 3.36Å; I372-L378 HydrophobicContact CD1-CB 3.35Å; I372-L378 HydrophobicContact CD1-CD2 3.63Å; I372-L378 HydrophobicContact CD1-CG 4.07Å; I372-L378 HydrophobicContact CG1-CB 3.98Å
373	E	70.5	Confident	88.5	Confident	112 Å²	112	73.9 Å²	73.9	52%	0.523	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-35.7	137.4	168.2	-66.7	157.8	165.1	0	0	112.4	K338	K338-E373 IonicContact NZ-OE2 4Å; K338-E373 PolarHBondContact NZ-OE2 2.92Å
374	N	66.4	Low	88.6	Confident	159 Å²	159	75.6 Å²	75.6	85%	0.85	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	71.3	27	-177.1	-49.5	-21.3	0	0	0	115.3	K376	N374-K376 PolarHBondContact O-N 3.07Å
375	G	67.9	Low	88.8	Confident	74 Å²	74	75.6 Å²	75.6	76%	0.763	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	72.7	9.4	173.3	0	0	0	0	0	114.6	I372	I372-G375 PolarHBondContact O-N 3.49Å
376	K	79.3	Confident	88.7	Confident	152 Å²	152	75.8 Å²	75.8	66%	0.661	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.5	176.3	-70	-173.2	177.8	-177	0	109.6	I372 N374	I372-K376 WeakPolarHBondContact CA-O 3.38Å; I372-K376 VanDerWaalsContact CB-O 3.31Å; I372-K376 WeakPolarHBondContact CB-O 3.27Å; I372-K376 PolarHBondContact N-O 3.19Å; I372-K376 PolarHBondContact O-N 3.36Å; N374-K376 PolarHBondContact O-N 3.07Å
377	T	87.8	Confident	88.5	Confident	100 Å²	100	74.3 Å²	74.3	61%	0.613	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.1	171.9	56.8	0	0	0	0	110.4	L370	L370-T377 CarbonylContact O-C 3.57Å; L370-T377 WeakPolarHBondContact O-CA 3.26Å
378	L	92.2	Very high	88	Confident	18 Å²	18	73.6 Å²	73.6	9%	0.094	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.6	171.5	176.8	69.6	0	0	0	110.3	F337 K338 A341 S342 R369 L370 I372	F337-L378 HydrophobicContact CD1-CD2 4.24Å; F337-L378 HydrophobicContact CE1-CD2 3.9Å; K338-L378 HydrophobicContact CG-CD2 4.41Å; A341-L378 HydrophobicContact CB-CD1 4.14Å; A341-L378 HydrophobicContact CB-CD2 3.71Å; A341-L378 HydrophobicContact CB-CG 4.05Å; S342-L378 WeakPolarHBondContact OG-CD1 3.33Å; R369-L378 WeakPolarHBondContact CA-O 3.35Å; L370-L378 PolarHBondContact N-O 2.81Å; L370-L378 PolarHBondContact O-N 2.81Å; I372-L378 HydrophobicContact CD1-CB 3.35Å; I372-L378 HydrophobicContact CD1-CD2 3.63Å; I372-L378 HydrophobicContact CD1-CG 4.07Å; I372-L378 HydrophobicContact CG1-CB 3.98Å
379	E	94.7	Very high	87.6	Confident	89 Å²	89	67.9 Å²	67.9	42%	0.416	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.9	171.9	-167.7	177	-162.5	0	0	110.1	S342 K381	S342-E379 PolarHBondContact OG-O 2.98Å; E379-K381 HydrophobicContact CG-CG 4.05Å; E379-K381 WeakPolarHBondContact OE1-CE 3.39Å; E379-K381 WeakPolarHBondContact OE2-CE 3.32Å; E379-K381 IonicContact OE2-NZ 3.02Å; E379-K381 PolarHBondContact OE2-NZ 3.35Å
380	V	96.8	Very high	87	Confident	4 Å²	4	59 Å²	59	2%	0.024	32%	0.315	C	S	.	.			trans	-97.3	93.2	-179.4	-174	0	0	0	0	109	F337 K368 L370 L382 V384	F337-V380 HydrophobicContact CZ-CG1 4.14Å; F337-V380 HydrophobicContact CZ-CG2 4.05Å; K368-V380 PolarHBondContact O-N 3.33Å; L370-V380 HydrophobicContact CD1-CG2 3.55Å; L370-V380 HydrophobicContact CG-CG2 3.82Å; V380-L382 HydrophobicContact CG1-CD1 4.15Å; V380-L382 HydrophobicContact CG1-CG 4.44Å; V380-V384 HydrophobicContact CG1-CG2 4.18Å
381	K	97.4	Very high	86.4	Confident	100 Å²	100	59.2 Å²	59.2	44%	0.435	32%	0.318	S	S	.	.			trans	-95.7	-27.9	176.3	-58.9	-165	-173.3	173.1	0	113.4	A341 S342 E344 E379	A341-K381 PolarHBondContact O-N 2.85Å; S342-K381 WeakPolarHBondContact O-CD 3.33Å; E344-K381 HydrophobicContact CB-CB 4.33Å; E379-K381 HydrophobicContact CG-CG 4.05Å; E379-K381 WeakPolarHBondContact OE1-CE 3.39Å; E379-K381 WeakPolarHBondContact OE2-CE 3.32Å; E379-K381 IonicContact OE2-NZ 3.02Å; E379-K381 PolarHBondContact OE2-NZ 3.35Å
382	L	97.5	Very high	86.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.292	C	S	.	.	S	Bend	trans	-56.3	153.7	176.2	64.4	65.1	0	0	0	112	F337 A341 D343 N346 V348 V380 V384	F337-L382 HydrophobicContact CD2-CD2 4.35Å; F337-L382 HydrophobicContact CE2-CD1 4.18Å; F337-L382 HydrophobicContact CE2-CD2 4.21Å; A341-L382 VanDerWaalsContact CA-CD2 3.49Å; A341-L382 HydrophobicContact CB-CD2 4.26Å; A341-L382 HydrophobicContact CB-CG 4.42Å; A341-L382 PolarHBondContact O-N 3.33Å; D343-L382 WeakPolarHBondContact O-CA 3.3Å; D343-L382 WeakPolarHBondContact O-CB 3.36Å; N346-L382 HydrophobicContact CB-CB 3.95Å; N346-L382 HydrophobicContact CB-CD2 4.47Å; N346-L382 WeakPolarHBondContact O-CA 3.5Å; N346-L382 VanDerWaalsContact O-CB 3.31Å; N346-L382 WeakPolarHBondContact O-CB 3.44Å; V348-L382 HydrophobicContact CB-CD1 3.99Å; V348-L382 HydrophobicContact CB-CD2 4.38Å; V348-L382 HydrophobicContact CG1-CD1 3.5Å; V348-L382 VanDerWaalsContact CG1-CD1 3.5Å; V380-L382 HydrophobicContact CG1-CD1 4.15Å; V380-L382 HydrophobicContact CG1-CG 4.44Å; L382-V384 HydrophobicContact CD1-CG2 3.77Å
383	S	97.5	Very high	86.7	Confident	34 Å²	34	53 Å²	53	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.3	174.9	57.9	0	0	0	0	110.5	N346 M347 V348	N346-S383 PolarHBondContact O-N 3.18Å; N346-S383 PolarHBondContact O-OG 3.25Å; M347-S383 CarbonylContact C-O 3.59Å; M347-S383 VanDerWaalsContact CA-O 3.3Å; M347-S383 WeakPolarHBondContact CA-O 3.4Å; M347-S383 VanDerWaalsContact CB-OG 3.25Å; M347-S383 WeakPolarHBondContact CB-OG 3.46Å; M347-S383 WeakPolarHBondContact CG-O 3.35Å; M347-S383 VanDerWaalsContact CG-OG 3.23Å; M347-S383 WeakPolarHBondContact CG-OG 3.4Å; V348-S383 PolarHBondContact N-O 3.15Å
384	V	97.2	Very high	87.6	Confident	40 Å²	40	48.9 Å²	48.9	24%	0.242	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113	178.3	-177.7	0	0	0	0	108.5	V348 V363 V380 L382	V348-V384 HydrophobicContact CG1-CB 4.15Å; V348-V384 HydrophobicContact CG1-CG1 3.99Å; V348-V384 HydrophobicContact CG1-CG2 3.87Å; V363-V384 HydrophobicContact CB-CG1 4.26Å; V363-V384 HydrophobicContact CB-CG2 4.24Å; V363-V384 HydrophobicContact CG2-CG1 4.21Å; V380-V384 HydrophobicContact CG1-CG2 4.18Å; L382-V384 HydrophobicContact CD1-CG2 3.77Å
385	E	96.5	Very high	88.8	Confident	53 Å²	53	41.6 Å²	41.6	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.1	-179.5	-69.6	-61.9	161.9	0	0	110.1	K224 M347 V348 I349 M350	K224-E385 HydrophobicContact CD-CB 4.44Å; K224-E385 HydrophobicContact CD-CG 4.01Å; K224-E385 VanDerWaalsContact CE-OE2 3.22Å; K224-E385 WeakPolarHBondContact CE-OE2 3.24Å; K224-E385 IonicContact NZ-OE1 3.74Å; K224-E385 IonicContact NZ-OE2 3.28Å; K224-E385 PolarHBondContact NZ-OE2 3.24Å; M347-E385 HydrophobicContact CG-CG 4.11Å; M347-E385 HydrophobicContact SD-CB 4.32Å; M347-E385 HydrophobicContact SD-CG 3.54Å; M347-E385 VanDerWaalsContact SD-CG 3.54Å; V348-E385 PolarHBondContact O-N 3.18Å; I349-E385 CarbonylContact C-O 3.56Å; I349-E385 WeakPolarHBondContact CA-O 3.01Å; I349-E385 HydrophobicContact CG1-CB 4.19Å; M350-E385 PolarHBondContact N-O 2.75Å
386	Y	93.4	Very high	89.9	Confident	96 Å²	96	44.1 Å²	44.1	38%	0.376	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.6	173.1	177.4	-116.1	0	0	0	110	M350 I364	M350-Y386 HydrophobicContact CB-CD2 4.15Å; I364-Y386 HydrophobicContact CD1-CD2 3.86Å; I364-Y386 HydrophobicContact CD1-CE2 4.25Å; I364-Y386 HydrophobicContact CG1-CD2 4.22Å; I364-Y386 HydrophobicContact CG2-CD2 4.2Å; I364-Y386 HydrophobicContact CG2-CG 4.07Å
387	M	89.7	Confident	90.4	Very high	15 Å²	15	37.3 Å²	37.3	7%	0.074	19%	0.19	C	C	.	.			trans	-128	106.5	179.1	-58.8	-166.5	72.5	0	0	108.7	R217 E220 F221 K224 I349 M350 P351 F389	R217-M387 WeakPolarHBondContact O-CE 3.44Å; E220-M387 HydrophobicContact CB-CE 3.75Å; E220-M387 HydrophobicContact CG-CE 3.62Å; F221-M387 HydrophobicContact CB-CE 3.82Å; F221-M387 HydrophobicContact CB-SD 3.96Å; F221-M387 HydrophobicContact CD2-SD 4.29Å; K224-M387 HydrophobicContact CD-SD 4.02Å; I349-M387 HydrophobicContact CG2-CB 4.23Å; I349-M387 HydrophobicContact CG2-CG 4.05Å; I349-M387 HydrophobicContact CG2-SD 4.09Å; M350-M387 PolarHBondContact O-N 3.43Å; P351-M387 CarbonylContact C-O 3.51Å; P351-M387 WeakPolarHBondContact CA-O 3.4Å; M387-F389 HydrophobicContact CB-CD2 3.84Å; M387-F389 HydrophobicContact CB-CE2 3.72Å; M387-F389 HydrophobicContact CE-CE2 3.99Å; M387-F389 HydrophobicContact CE-CZ 4.4Å; M387-F389 PolarHBondContact O-N 3.2Å; M387-F389 HydrophobicContact SD-CE2 4.23Å
388	S	83	Confident	90.6	Very high	15 Å²	15	32.5 Å²	32.5	11%	0.105	16%	0.16	C	C	.	.			trans	-71.4	78.9	-178	176.4	0	0	0	0	111.7	Y206 R211 R217 S390	Y206-S388 WeakPolarHBondContact CE1-OG 3.36Å; R211-S388 PolarHBondContact NE-OG 3.4Å; R211-S388 VanDerWaalsContact NE-OG 3.07Å; R217-S388 PolarHBondContact NH1-O 3.09Å; S388-S390 PolarHBondContact O-N 3.22Å
389	F	84.3	Confident	90.6	Very high	7 Å²	7	32 Å²	32	3%	0.031	16%	0.158	C	C	.	.			trans	-83	24.8	158.8	-69.6	-83.2	0	0	0	110.8	R217 E218 F221 R244 L248 P351 M387 A391	R217-F389 HydrophobicContact CB-CE1 4.12Å; R217-F389 HydrophobicContact CB-CZ 4.1Å; R217-F389 WeakPolarHBondContact O-CZ 3.47Å; E218-F389 HydrophobicContact CG-CE1 4.18Å; F221-F389 HydrophobicContact CB-CE2 3.64Å; F221-F389 HydrophobicContact CB-CZ 3.44Å; F221-F389 VanDerWaalsContact CB-CZ 3.44Å; F221-F389 AromaticContact CD2-CE2 3.93Å; F221-F389 HydrophobicContact CD2-CE2 3.93Å; F221-F389 HydrophobicContact CD2-CZ 4.39Å; F221-F389 AromaticContact CG-CE2 3.93Å; F221-F389 HydrophobicContact CG-CE2 3.93Å; F221-F389 AromaticContact CG-CZ 3.93Å; F221-F389 HydrophobicContact CG-CZ 3.93Å; R244-F389 WeakPolarHBondContact CD-O 3.28Å; R244-F389 HydrophobicContact CG-CB 4.11Å; R244-F389 WeakPolarHBondContact CG-O 3.28Å; R244-F389 PolarHBondContact NE-O 3.36Å; R244-F389 PolarHBondContact NH2-O 3.3Å; L248-F389 HydrophobicContact CD2-CB 4.4Å; L248-F389 HydrophobicContact CD2-CD1 3.85Å; L248-F389 HydrophobicContact CD2-CD2 4.13Å; L248-F389 HydrophobicContact CD2-CE1 4.09Å; L248-F389 HydrophobicContact CD2-CE2 4.36Å; L248-F389 HydrophobicContact CD2-CG 3.87Å; L248-F389 HydrophobicContact CD2-CZ 4.34Å; P351-F389 HydrophobicContact CB-CB 4.26Å; P351-F389 CarbonylContact O-C 3.48Å; P351-F389 WeakPolarHBondContact O-CA 3.44Å; P351-F389 WeakPolarHBondContact O-CB 3.2Å; P351-F389 PolarHBondContact O-N 3.05Å; M387-F389 HydrophobicContact CB-CD2 3.84Å; M387-F389 HydrophobicContact CB-CE2 3.72Å; M387-F389 HydrophobicContact CE-CE2 3.99Å; M387-F389 HydrophobicContact CE-CZ 4.4Å; M387-F389 PolarHBondContact O-N 3.2Å; M387-F389 HydrophobicContact SD-CE2 4.23Å; F389-A391 PolarHBondContact O-N 3.37Å
390	S	80.5	Confident	90.3	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.063	16%	0.155	C	C	.	.			trans	-59.6	147	176	162.4	0	0	0	0	111.9	Y206 R211 R244 P351 S388 H392	Y206-S390 WeakPolarHBondContact CE2-OG 3.36Å; Y206-S390 WeakPolarHBondContact OH-CB 3.35Å; R211-S390 PolarHBondContact NH1-O 3.37Å; R211-S390 PolarHBondContact NH2-OG 3.2Å; R244-S390 PolarHBondContact NH2-O 3.34Å; P351-S390 PolarHBondContact O-N 3.26Å; S388-S390 PolarHBondContact O-N 3.22Å; S390-H392 WeakPolarHBondContact OG-CB 3.4Å; S390-H392 PolarHBondContact OG-CD2 3.09Å; S390-H392 PolarHBondContact OG-N 3.42Å
391	A	78	Confident	89.9	Confident	9 Å²	9	31.4 Å²	31.4	7%	0.074	15%	0.154	C	C	.	.	S	Bend	trans	-82	-16.2	173.9	0	0	0	0	0	112.3	C155 N180 F389	C155-A391 HydrophobicContact CB-CB 3.75Å; C155-A391 WeakPolarHBondContact CB-O 3.38Å; C155-A391 WeakPolarHBondContact O-CB 3.06Å; C155-A391 WeakPolarHBondContact SG-CB 3.47Å; N180-A391 WeakPolarHBondContact CB-O 3.35Å; N180-A391 VanDerWaalsContact CG-O 3.32Å; N180-A391 PolarHBondContact ND2-O 2.8Å; F389-A391 PolarHBondContact O-N 3.37Å
392	H	83.9	Confident	89.5	Confident	26 Å²	26	26.7 Å²	26.7	12%	0.12	13%	0.134	C	C	.	.	S	Bend	trans	-64.7	153.7	175.2	-60.6	-109.3	0	0	0	112.1	D178 F179 E203 T205 Y206 R211 S390	D178-H392 VanDerWaalsContact CG-ND1 3.3Å; D178-H392 IonicContact OD1-CE1 2.79Å; D178-H392 PolarHBondContact OD1-CE1 3.5Å; D178-H392 IonicContact OD1-ND1 3.41Å; D178-H392 PolarHBondContact OD1-ND1 2.83Å; D178-H392 IonicContact OD2-CE1 2.76Å; D178-H392 PolarHBondContact OD2-CE1 3.42Å; D178-H392 IonicContact OD2-ND1 2.94Å; D178-H392 IonicContact OD2-NE2 3.5Å; F179-H392 CarbonylContact O-C 3.51Å; F179-H392 VanDerWaalsContact O-C 3.31Å; E203-H392 VanDerWaalsContact CD-ND1 3.35Å; E203-H392 WeakPolarHBondContact OE1-CB 3.48Å; E203-H392 IonicContact OE1-CG 3.98Å; E203-H392 IonicContact OE1-ND1 2.66Å; E203-H392 PolarHBondContact OE1-ND1 3.09Å; E203-H392 WeakPolarHBondContact OE2-CB 3.32Å; E203-H392 IonicContact OE2-CE1 2.73Å; E203-H392 IonicContact OE2-CG 3.55Å; E203-H392 IonicContact OE2-ND1 3.3Å; E203-H392 PolarHBondContact OE2-ND1 2.8Å; T205-H392 PolarHBondContact OG1-ND1 3.01Å; Y206-H392 HydrophobicContact CD2-CB 3.73Å; Y206-H392 HydrophobicContact CE2-CB 3.99Å; R211-H392 PolarHBondContact NH1-O 3.22Å; R211-H392 PolarHBondContact NH2-O 3.4Å; S390-H392 WeakPolarHBondContact OG-CB 3.4Å; S390-H392 PolarHBondContact OG-CD2 3.09Å; S390-H392 PolarHBondContact OG-N 3.42Å
393	A	85.4	Confident	89.2	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	16%	0.155	C	C	.	.			trans	-69.9	139.3	179.3	0	0	0	0	0	110.4	F179 Y206 I398	F179-A393 HydrophobicContact CD2-CB 3.58Å; F179-A393 HydrophobicContact CE2-CB 3.3Å; F179-A393 HydrophobicContact CG-CB 4.36Å; F179-A393 HydrophobicContact CZ-CB 3.88Å; F179-A393 WeakPolarHBondContact O-CA 3.37Å; F179-A393 WeakPolarHBondContact O-CB 3.41Å; F179-A393 PolarHBondContact O-N 2.85Å; Y206-A393 WeakPolarHBondContact CB-O 3.25Å; A393-I398 HydrophobicContact CB-CG1 3.92Å
394	D	90.5	Very high	88.6	Confident	25 Å²	25	33.2 Å²	33.2	13%	0.134	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-83.8	178.5	169.6	77.5	-9.4	0	0	0	110.4	T209 R211 K396 G397 I398	T209-D394 WeakPolarHBondContact O-CB 3.46Å; R211-D394 HydrophobicContact CG-CB 4.01Å; R211-D394 PolarHBondContact N-OD2 3.41Å; D394-K396 PolarHBondContact O-N 2.64Å; D394-K396 VanDerWaalsContact O-N 3.09Å; D394-K396 WeakPolarHBondContact OD1-CB 3.34Å; D394-K396 PolarHBondContact OD1-N 3.29Å; D394-G397 PolarHBondContact O-N 2.85Å; D394-G397 PolarHBondContact OD1-N 3.09Å; D394-I398 WeakPolarHBondContact O-CG1 3.44Å; D394-I398 PolarHBondContact O-N 3.35Å
395	A	91.8	Very high	87.9	Confident	5 Å²	5	31.3 Å²	31.3	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-55.1	-33.3	-177.9	0	0	0	0	0	113	Y206 A207 T209 I210 I399 L423	Y206-A395 PolarHBondContact O-N 2.78Å; A207-A395 VanDerWaalsContact O-CB 3.31Å; A207-A395 WeakPolarHBondContact O-CB 3.38Å; T209-A395 WeakPolarHBondContact O-CB 3.33Å; T209-A395 PolarHBondContact O-N 2.81Å; I210-A395 HydrophobicContact CG1-CB 4.41Å; A395-I399 WeakPolarHBondContact O-CD1 3.48Å; A395-I399 VanDerWaalsContact O-CG1 3.25Å; A395-I399 WeakPolarHBondContact O-CG1 3.5Å; A395-I399 PolarHBondContact O-N 3.36Å; A395-L423 HydrophobicContact CB-CD1 4.47Å
396	K	90.9	Very high	87.4	Confident	128 Å²	128	33.9 Å²	33.9	56%	0.557	16%	0.158	S	C	*	.	H	α-helix	trans	-70.8	-44.9	176.3	-70.2	179.8	176.2	173.4	0	111	I210 D394 I399 Q400	I210-K396 HydrophobicContact CG2-CD 4.03Å; I210-K396 HydrophobicContact CG2-CG 4.49Å; D394-K396 PolarHBondContact O-N 2.64Å; D394-K396 VanDerWaalsContact O-N 3.09Å; D394-K396 WeakPolarHBondContact OD1-CB 3.34Å; D394-K396 PolarHBondContact OD1-N 3.29Å; K396-I399 PolarHBondContact O-N 2.76Å; K396-Q400 WeakPolarHBondContact O-CB 3.47Å; K396-Q400 PolarHBondContact O-N 2.89Å
397	G	89.4	Confident	87.1	Confident	8 Å²	8	29.8 Å²	29.8	8%	0.082	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-42.7	176.3	0	0	0	0	0	113	M181 D394 Q400 L401	M181-G397 VanDerWaalsContact CG-O 3.3Å; M181-G397 WeakPolarHBondContact CG-O 3.4Å; D394-G397 PolarHBondContact O-N 2.85Å; D394-G397 PolarHBondContact OD1-N 3.09Å; G397-Q400 PolarHBondContact O-N 2.96Å; G397-L401 PolarHBondContact O-N 3.3Å
398	I	91.1	Very high	87	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-50	177.8	-62.5	162.6	0	0	0	110.6	F179 A393 D394 Q400 L401 I402 F412 L423	F179-I398 HydrophobicContact CE2-CG1 4.41Å; F179-I398 HydrophobicContact CZ-CB 4.36Å; F179-I398 HydrophobicContact CZ-CG1 3.9Å; A393-I398 HydrophobicContact CB-CG1 3.92Å; D394-I398 WeakPolarHBondContact O-CG1 3.44Å; D394-I398 PolarHBondContact O-N 3.35Å; I398-Q400 VanDerWaalsContact C-N 3.27Å; I398-Q400 PolarHBondContact O-N 2.85Å; I398-L401 PolarHBondContact O-N 3.19Å; I398-I402 HydrophobicContact CG2-CD1 4.04Å; I398-I402 WeakPolarHBondContact O-CG1 3.12Å; I398-I402 PolarHBondContact O-N 3.07Å; I398-I402 VanDerWaalsContact O-N 3.07Å; I398-F412 HydrophobicContact CG2-CE1 4.17Å; I398-L423 HydrophobicContact CB-CD2 4.36Å; I398-L423 HydrophobicContact CD1-CD2 3.92Å; I398-L423 HydrophobicContact CG2-CD2 3.9Å
399	I	92.5	Very high	87.3	Confident	7 Å²	7	34.7 Å²	34.7	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-37.7	178	-66.4	168.6	0	0	0	111.1	A395 K396 I402 R403 L423 K426 V427	A395-I399 WeakPolarHBondContact O-CD1 3.48Å; A395-I399 VanDerWaalsContact O-CG1 3.25Å; A395-I399 WeakPolarHBondContact O-CG1 3.5Å; A395-I399 PolarHBondContact O-N 3.36Å; K396-I399 PolarHBondContact O-N 2.76Å; I399-I402 PolarHBondContact O-N 3.17Å; I399-R403 WeakPolarHBondContact O-CG 3.43Å; I399-R403 PolarHBondContact O-N 3.37Å; I399-L423 HydrophobicContact CD1-CD1 4.14Å; I399-L423 HydrophobicContact CG1-CD1 4.19Å; I399-K426 HydrophobicContact CD1-CD 4.01Å; I399-K426 HydrophobicContact CD1-CG 4.48Å; I399-V427 HydrophobicContact CG1-CG2 4.08Å
400	Q	89.9	Confident	87.7	Confident	79 Å²	79	34.3 Å²	34.3	37%	0.369	16%	0.158	S	C	.	.	H	α-helix	trans	-63	-43.2	176.3	-172.7	61.8	44.1	0	0	111.9	M181 K396 G397 I398 I402 R403 N404	M181-Q400 HydrophobicContact CE-CG 4.34Å; K396-Q400 WeakPolarHBondContact O-CB 3.47Å; K396-Q400 PolarHBondContact O-N 2.89Å; G397-Q400 PolarHBondContact O-N 2.96Å; I398-Q400 VanDerWaalsContact C-N 3.27Å; I398-Q400 PolarHBondContact O-N 2.85Å; Q400-I402 VanDerWaalsContact C-N 3.35Å; Q400-I402 PolarHBondContact O-N 3.18Å; Q400-R403 PolarHBondContact O-N 3.13Å; Q400-N404 PolarHBondContact NE2-OD1 3.19Å; Q400-N404 VanDerWaalsContact O-CG 3.28Å; Q400-N404 PolarHBondContact O-N 2.73Å; Q400-N404 PolarHBondContact O-OD1 3.17Å
401	L	86.5	Confident	88.3	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-45	176.1	-174.6	73.3	0	0	0	111.1	F179 M181 I192 L200 G397 I398 R403 N404 C405	F179-L401 HydrophobicContact CD1-CD2 4.03Å; F179-L401 HydrophobicContact CD2-CD2 3.94Å; F179-L401 HydrophobicContact CE1-CD2 3.68Å; F179-L401 HydrophobicContact CE2-CB 3.83Å; F179-L401 HydrophobicContact CE2-CD2 3.56Å; F179-L401 HydrophobicContact CE2-CG 4.23Å; F179-L401 HydrophobicContact CG-CD2 4.17Å; F179-L401 HydrophobicContact CZ-CB 4.21Å; F179-L401 HydrophobicContact CZ-CD2 3.43Å; F179-L401 VanDerWaalsContact CZ-CD2 3.43Å; F179-L401 HydrophobicContact CZ-CG 4.44Å; M181-L401 HydrophobicContact CE-CD1 4.3Å; M181-L401 HydrophobicContact CG-CB 4.5Å; M181-L401 HydrophobicContact SD-CB 4.06Å; M181-L401 HydrophobicContact SD-CD1 3.72Å; M181-L401 HydrophobicContact SD-CG 4.48Å; I192-L401 HydrophobicContact CG2-CD1 3.58Å; L200-L401 HydrophobicContact CD1-CD2 4.35Å; G397-L401 PolarHBondContact O-N 3.3Å; I398-L401 PolarHBondContact O-N 3.19Å; L401-R403 VanDerWaalsContact C-N 3.3Å; L401-R403 PolarHBondContact O-N 3.13Å; L401-N404 PolarHBondContact O-N 2.94Å; L401-C405 PolarHBondContact O-N 3.26Å; L401-C405 PolarHBondContact O-SG 3.41Å
402	I	89.8	Confident	89.1	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-43.4	177.9	-59.9	164.6	0	0	0	110.4	L200 I398 I399 Q400 N404 C405 Q406 P407 V410 F412 V427 L431 L433	L200-I402 HydrophobicContact CD2-CB 4.21Å; L200-I402 HydrophobicContact CD2-CG1 3.72Å; I398-I402 HydrophobicContact CG2-CD1 4.04Å; I398-I402 WeakPolarHBondContact O-CG1 3.12Å; I398-I402 PolarHBondContact O-N 3.07Å; I398-I402 VanDerWaalsContact O-N 3.07Å; I399-I402 PolarHBondContact O-N 3.17Å; Q400-I402 VanDerWaalsContact C-N 3.35Å; Q400-I402 PolarHBondContact O-N 3.18Å; I402-N404 PolarHBondContact O-N 2.63Å; I402-C405 PolarHBondContact O-N 3.01Å; I402-Q406 PolarHBondContact O-N 2.84Å; I402-P407 HydrophobicContact CG2-CG 3.83Å; I402-P407 WeakPolarHBondContact O-CD 2.95Å; I402-V410 HydrophobicContact CD1-CG1 4.41Å; I402-V410 HydrophobicContact CD1-CG2 4.29Å; I402-V410 HydrophobicContact CG1-CG2 4.18Å; I402-V410 HydrophobicContact CG2-CG2 3.9Å; I402-F412 HydrophobicContact CD1-CE1 4.18Å; I402-F412 HydrophobicContact CD1-CZ 4.27Å; I402-V427 HydrophobicContact CD1-CG1 4.1Å; I402-V427 HydrophobicContact CD1-CG2 3.93Å; I402-L431 HydrophobicContact CB-CD1 3.96Å; I402-L431 HydrophobicContact CG2-CD1 3.38Å; I402-L433 HydrophobicContact CG2-CD2 3.95Å
403	R	90.2	Very high	89.6	Confident	116 Å²	116	32.7 Å²	32.7	44%	0.438	15%	0.149	S	C	.	.	H	α-helix	trans	-63.4	-39.8	176.3	-74.5	178.2	179.2	152.2	6.7	113	I399 Q400 L401 Q406 E430 L431	I399-R403 WeakPolarHBondContact O-CG 3.43Å; I399-R403 PolarHBondContact O-N 3.37Å; Q400-R403 PolarHBondContact O-N 3.13Å; L401-R403 VanDerWaalsContact C-N 3.3Å; L401-R403 PolarHBondContact O-N 3.13Å; R403-Q406 VanDerWaalsContact O-CG 3.25Å; R403-Q406 WeakPolarHBondContact O-CG 3.1Å; R403-E430 IonicContact NH2-OE2 2.97Å; R403-E430 PolarHBondContact NH2-OE2 2.94Å; R403-E430 VanDerWaalsContact NH2-OE2 3.1Å; R403-L431 HydrophobicContact CG-CD1 4.34Å; R403-L431 HydrophobicContact CG-CD2 3.92Å
404	N	85.5	Confident	89.9	Confident	56 Å²	56	32.8 Å²	32.8	30%	0.299	15%	0.149	S	C	.	.	H	α-helix	trans	-68	-39.9	178.6	-70.4	4.4	0	0	0	111.6	M181 I192 C194 Q400 L401 I402	M181-N404 WeakPolarHBondContact CE-ND2 3.08Å; I192-N404 HydrophobicContact CG2-CB 4.18Å; C194-N404 WeakPolarHBondContact CA-O 3.03Å; Q400-N404 PolarHBondContact NE2-OD1 3.19Å; Q400-N404 VanDerWaalsContact O-CG 3.28Å; Q400-N404 PolarHBondContact O-N 2.73Å; Q400-N404 PolarHBondContact O-OD1 3.17Å; L401-N404 PolarHBondContact O-N 2.94Å; I402-N404 PolarHBondContact O-N 2.63Å
405	C	82.2	Confident	90.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-78.8	-30.7	-177.7	-61	0	0	0	0	113.1	I175 Q196 P197 L200 L401 I402	I175-C405 HydrophobicContact CD1-CB 4.32Å; I175-C405 VanDerWaalsContact CD1-SG 3.57Å; Q196-C405 VanDerWaalsContact CA-O 3.24Å; Q196-C405 WeakPolarHBondContact CA-O 3.44Å; Q196-C405 PolarHBondContact N-O 2.94Å; P197-C405 WeakPolarHBondContact CD-O 3.28Å; P197-C405 HydrophobicContact CG-CB 4.44Å; L200-C405 HydrophobicContact CD2-CB 4.27Å; L401-C405 PolarHBondContact O-N 3.26Å; L401-C405 PolarHBondContact O-SG 3.41Å; I402-C405 PolarHBondContact O-N 3.01Å
406	Q	87.1	Confident	90.1	Very high	108 Å²	108	33.9 Å²	33.9	51%	0.505	15%	0.153	S	C	.	.			trans	51.3	54.8	-173.5	-58.5	-178.1	-0.9	0	0	113.2	Q196 I402 R403	Q196-Q406 WeakPolarHBondContact CA-O 3.41Å; Q196-Q406 HydrophobicContact CG-CB 4.02Å; I402-Q406 PolarHBondContact O-N 2.84Å; R403-Q406 VanDerWaalsContact O-CG 3.25Å; R403-Q406 WeakPolarHBondContact O-CG 3.1Å
407	P	87.5	Confident	90.3	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.058	15%	0.147	C	C	.	.			trans	-70.5	155.4	-176.1	34.9	-39	0	0	0	112	P197 L200 I402 S409 V410 L433	P197-P407 HydrophobicContact CG-CB 3.72Å; P197-P407 CarbonylContact O-C 3.46Å; P197-P407 VanDerWaalsContact O-CA 3.25Å; P197-P407 WeakPolarHBondContact O-CA 3.39Å; L200-P407 HydrophobicContact CB-CB 3.71Å; L200-P407 HydrophobicContact CB-CG 3.95Å; L200-P407 HydrophobicContact CD2-CG 4.19Å; I402-P407 HydrophobicContact CG2-CG 3.83Å; I402-P407 WeakPolarHBondContact O-CD 2.95Å; P407-S409 VanDerWaalsContact C-N 3.33Å; P407-S409 WeakPolarHBondContact CB-O 3.32Å; P407-V410 HydrophobicContact CB-CG2 4.47Å; P407-V410 HydrophobicContact CG-CG2 3.63Å; P407-L433 HydrophobicContact CG-CD2 4.25Å
408	R	86.8	Confident	90.6	Very high	125 Å²	125	36.8 Å²	36.8	47%	0.472	17%	0.173	S	C	.	.	S	Bend	trans	-73.1	-28	170.2	-64	-176.1	177.9	168.2	-3.9	112.8	P197 D198 P434	P197-R408 PolarHBondContact O-N 3.16Å; D198-R408 WeakPolarHBondContact OD1-CD 3.42Å; D198-R408 IonicContact OD1-CZ 2.79Å; D198-R408 IonicContact OD1-NE 2.6Å; D198-R408 IonicContact OD1-NH1 3.61Å; D198-R408 PolarHBondContact OD1-NH1 3.18Å; R408-P434 WeakPolarHBondContact O-CD 3.38Å
409	S	90.1	Very high	90.8	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	18%	0.184	C	C	.	.			trans	-153.7	158.6	174.9	65.1	0	0	0	0	111	D198 V199 L200 P407 P434	D198-S409 PolarHBondContact O-N 3.19Å; D198-S409 VanDerWaalsContact O-N 3.08Å; D198-S409 PolarHBondContact O-OG 2.95Å; V199-S409 CarbonylContact C-O 3.58Å; V199-S409 VanDerWaalsContact CA-O 3.32Å; V199-S409 WeakPolarHBondContact CA-O 3.33Å; L200-S409 PolarHBondContact N-O 3.5Å; P407-S409 VanDerWaalsContact C-N 3.33Å; P407-S409 WeakPolarHBondContact CB-O 3.32Å; S409-P434 CarbonylContact C-O 3.53Å; S409-P434 WeakPolarHBondContact CA-O 3.35Å
410	V	92.1	Very high	91	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143	178	173.9	0	0	0	0	109.4	L200 I402 P407 F412 L433 P434 V435 F436	L200-V410 HydrophobicContact CB-CG2 4.27Å; L200-V410 HydrophobicContact CD2-CG2 4.48Å; L200-V410 CarbonylContact O-C 3.44Å; L200-V410 VanDerWaalsContact O-CA 3.26Å; L200-V410 WeakPolarHBondContact O-CA 3.42Å; I402-V410 HydrophobicContact CD1-CG1 4.41Å; I402-V410 HydrophobicContact CD1-CG2 4.29Å; I402-V410 HydrophobicContact CG1-CG2 4.18Å; I402-V410 HydrophobicContact CG2-CG2 3.9Å; P407-V410 HydrophobicContact CB-CG2 4.47Å; P407-V410 HydrophobicContact CG-CG2 3.63Å; V410-F412 HydrophobicContact CG1-CD1 3.65Å; V410-F412 HydrophobicContact CG1-CE1 3.42Å; V410-F412 VanDerWaalsContact CG1-CE1 3.42Å; V410-F412 HydrophobicContact CG1-CZ 4.11Å; V410-L433 HydrophobicContact CB-CD1 3.96Å; V410-L433 HydrophobicContact CG2-CD1 3.49Å; V410-L433 VanDerWaalsContact CG2-CD1 3.49Å; V410-P434 PolarHBondContact N-O 2.68Å; V410-V435 HydrophobicContact CB-CG1 4.42Å; V410-V435 HydrophobicContact CB-CG2 4.28Å; V410-V435 HydrophobicContact CG1-CG1 4.41Å; V410-V435 CarbonylContact O-C 3.37Å; V410-V435 VanDerWaalsContact O-CA 3.27Å; V410-V435 WeakPolarHBondContact O-CA 3.37Å; V410-F436 WeakPolarHBondContact O-CD2 3.29Å; V410-F436 PolarHBondContact O-N 2.97Å
411	M	92.9	Very high	91.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.9	168.5	-177.1	174.1	86.1	0	0	109.2	L4 V6 I18 V199 L200 I201 S202 V413 F436 P438 V444	L4-M411 HydrophobicContact CB-CE 4.1Å; L4-M411 HydrophobicContact CB-SD 4.08Å; L4-M411 HydrophobicContact CD1-CE 4.02Å; L4-M411 HydrophobicContact CD1-SD 3.91Å; V6-M411 HydrophobicContact CG2-CE 4Å; V6-M411 HydrophobicContact CG2-SD 4.38Å; I18-M411 HydrophobicContact CD1-CE 4.34Å; I18-M411 HydrophobicContact CG2-CE 4.37Å; V199-M411 HydrophobicContact CG1-CB 4.12Å; L200-M411 PolarHBondContact O-N 3.18Å; I201-M411 CarbonylContact C-O 3.46Å; I201-M411 VanDerWaalsContact CA-O 3.23Å; I201-M411 WeakPolarHBondContact CA-O 3.2Å; I201-M411 HydrophobicContact CB-CE 4.47Å; I201-M411 HydrophobicContact CD1-CE 3.53Å; I201-M411 HydrophobicContact CG1-CB 4.18Å; I201-M411 HydrophobicContact CG1-CE 3.74Å; I201-M411 HydrophobicContact CG2-CE 3.94Å; S202-M411 PolarHBondContact N-O 2.95Å; M411-V413 HydrophobicContact CE-CG1 3.93Å; M411-V413 HydrophobicContact CG-CG1 4.4Å; M411-F436 CarbonylContact C-O 3.46Å; M411-F436 WeakPolarHBondContact CA-O 3.03Å; M411-F436 HydrophobicContact CB-CB 4.27Å; M411-F436 HydrophobicContact CG-CB 4.12Å; M411-P438 HydrophobicContact CG-CG 3.96Å; M411-P438 HydrophobicContact SD-CG 3.73Å; M411-V444 HydrophobicContact SD-CB 4.23Å; M411-V444 HydrophobicContact SD-CG2 3.85Å
412	F	95.2	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.2	173.8	-69.2	-29	0	0	0	110.9	T204 I398 I402 V410 M420 L423 K424 V427 V435 F436	T204-F412 HydrophobicContact CG2-CB 3.58Å; T204-F412 HydrophobicContact CG2-CD1 3.45Å; T204-F412 VanDerWaalsContact CG2-CD1 3.45Å; T204-F412 HydrophobicContact CG2-CD2 4.02Å; T204-F412 HydrophobicContact CG2-CE1 4.07Å; T204-F412 HydrophobicContact CG2-CG 3.43Å; T204-F412 VanDerWaalsContact CG2-CG 3.43Å; I398-F412 HydrophobicContact CG2-CE1 4.17Å; I402-F412 HydrophobicContact CD1-CE1 4.18Å; I402-F412 HydrophobicContact CD1-CZ 4.27Å; V410-F412 HydrophobicContact CG1-CD1 3.65Å; V410-F412 HydrophobicContact CG1-CE1 3.42Å; V410-F412 VanDerWaalsContact CG1-CE1 3.42Å; V410-F412 HydrophobicContact CG1-CZ 4.11Å; F412-M420 HydrophobicContact CB-CE 3.41Å; F412-M420 VanDerWaalsContact CB-CE 3.41Å; F412-M420 WeakPolarHBondContact O-CE 3.15Å; F412-L423 HydrophobicContact CE1-CD2 4.22Å; F412-L423 HydrophobicContact CE2-CB 4.13Å; F412-L423 HydrophobicContact CE2-CD2 3.96Å; F412-L423 HydrophobicContact CE2-CG 3.79Å; F412-L423 HydrophobicContact CZ-CD2 3.7Å; F412-L423 HydrophobicContact CZ-CG 3.78Å; F412-K424 HydrophobicContact CD2-CB 4.24Å; F412-K424 HydrophobicContact CE2-CB 4.18Å; F412-V427 HydrophobicContact CZ-CB 4.49Å; F412-V427 HydrophobicContact CZ-CG2 4.04Å; F412-V435 HydrophobicContact CD2-CG1 3.57Å; F412-V435 HydrophobicContact CE2-CG1 3.54Å; F412-V435 HydrophobicContact CG-CG1 4.16Å; F412-V435 HydrophobicContact CZ-CG1 4.1Å; F412-F436 PolarHBondContact N-O 3.49Å
413	V	93.6	Very high	92.1	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	174.9	174.1	-63.3	0	0	0	0	108.9	V6 I18 I201 S202 E203 T204 M411	V6-V413 HydrophobicContact CG2-CG1 4.34Å; I18-V413 HydrophobicContact CD1-CB 4.49Å; I18-V413 HydrophobicContact CD1-CG1 4.01Å; I18-V413 HydrophobicContact CD1-CG2 4.22Å; I201-V413 HydrophobicContact CG2-CB 4.44Å; I201-V413 HydrophobicContact CG2-CG1 4.04Å; I201-V413 HydrophobicContact CG2-CG2 3.52Å; S202-V413 PolarHBondContact O-N 3.39Å; E203-V413 CarbonylContact C-O 3.54Å; E203-V413 WeakPolarHBondContact CA-O 3.25Å; T204-V413 PolarHBondContact N-O 3.29Å; T204-V413 PolarHBondContact OG1-O 2.98Å; M411-V413 HydrophobicContact CE-CG1 3.93Å; M411-V413 HydrophobicContact CG-CG1 4.4Å
414	H	92.5	Very high	92.4	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.014	19%	0.187	C	C	.	.	S	Bend	trans	55.7	58.6	171.7	-156	-105.2	0	0	0	112.8	A9 E12 G14 S16 D70 H71 D178 E203 T204 T205	A9-H414 HydrophobicContact CB-CB 4.17Å; A9-H414 PolarHBondContact O-N 3.39Å; E12-H414 CarbonylContact O-C 3.53Å; E12-H414 VanDerWaalsContact O-CA 3.28Å; E12-H414 WeakPolarHBondContact O-CA 3.41Å; G14-H414 PolarHBondContact N-CD2 2.78Å; G14-H414 PolarHBondContact N-NE2 2.71Å; S16-H414 PolarHBondContact OG-CD2 2.94Å; D70-H414 IonicContact OD2-CE1 3.43Å; D70-H414 IonicContact OD2-NE2 3.97Å; D70-H414 PolarHBondContact OD2-NE2 2.94Å; H71-H414 AromaticContact NE2-NE2 3.91Å; D178-H414 IonicContact OD1-CE1 3.07Å; D178-H414 IonicContact OD1-ND1 3.13Å; E203-H414 HydrophobicContact CB-CB 4.13Å; T204-H414 CarbonylContact C-O 3.03Å; T204-H414 VanDerWaalsContact C-O 3.24Å; T204-H414 PolarHBondContact N-O 3.24Å; T205-H414 WeakPolarHBondContact CA-O 3.28Å; T205-H414 PolarHBondContact N-O 3.08Å; T205-H414 PolarHBondContact OG1-ND1 2.88Å; T205-H414 VanDerWaalsContact OG1-ND1 3.09Å; T205-H414 PolarHBondContact OG1-O 2.83Å
415	G	93.6	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-173.4	156.5	-177	0	0	0	0	0	111	Q11 E12 T204	Q11-G415 CarbonylContact C-O 3.35Å; Q11-G415 WeakPolarHBondContact CA-O 3.37Å; E12-G415 CarbonylContact C-O 3.18Å; E12-G415 WeakPolarHBondContact CA-O 3.44Å; E12-G415 PolarHBondContact N-O 3.29Å; E12-G415 PolarHBondContact O-N 3.5Å; T204-G415 WeakPolarHBondContact OG1-CA 3.44Å; T204-G415 PolarHBondContact OG1-N 2.86Å
416	E	93.4	Very high	93.6	Very high	53 Å²	53	47.7 Å²	47.7	25%	0.248	22%	0.216	C	C	.	.			trans	-71.6	139.5	178.7	-66.1	161.9	-140.4	0	0	111.2	Y353 T418 K419 M420	Y353-E416 WeakPolarHBondContact CE2-OE1 3.25Å; Y353-E416 PolarHBondContact OH-OE1 3.39Å; E416-T418 VanDerWaalsContact C-N 3.35Å; E416-T418 PolarHBondContact O-N 3.13Å; E416-K419 HydrophobicContact CB-CB 4.46Å; E416-K419 HydrophobicContact CB-CD 4.19Å; E416-K419 HydrophobicContact CB-CG 4.33Å; E416-K419 PolarHBondContact O-N 2.83Å; E416-K419 IonicContact OE1-NZ 3.24Å; E416-K419 PolarHBondContact OE1-NZ 2.78Å; E416-K419 WeakPolarHBondContact OE2-CE 3.34Å; E416-K419 IonicContact OE2-NZ 3.5Å; E416-K419 PolarHBondContact OE2-NZ 2.87Å; E416-M420 WeakPolarHBondContact O-CG 3.1Å; E416-M420 PolarHBondContact O-N 3.32Å
417	E	95.1	Very high	94.1	Very high	95 Å²	95	42.6 Å²	42.6	44%	0.444	19%	0.192	S	C	.	.	H	α-helix	trans	-43.1	-54.8	-176.9	-175.6	-169.4	-178	0	0	114	Q11 K419 M420 E421 K437	Q11-E417 HydrophobicContact CB-CB 4.03Å; Q11-E417 HydrophobicContact CG-CB 4.4Å; Q11-E417 HydrophobicContact CG-CG 4.41Å; Q11-E417 PolarHBondContact O-N 3Å; Q11-E417 VanDerWaalsContact OE1-CG 3.26Å; E417-K419 VanDerWaalsContact C-N 3.31Å; E417-K419 PolarHBondContact O-N 3.4Å; E417-M420 WeakPolarHBondContact O-CB 3.45Å; E417-M420 PolarHBondContact O-N 3.29Å; E417-E421 WeakPolarHBondContact O-CB 3.23Å; E417-E421 PolarHBondContact O-N 3.05Å; E417-K437 IonicContact OE1-NZ 3.7Å
418	T	95.9	Very high	94.5	Very high	101 Å²	101	45.2 Å²	45.2	62%	0.62	20%	0.203	S	C	*	.	H	α-helix	trans	-66.3	-35.5	-174	57.4	0	0	0	0	111.9	E416 F422	E416-T418 VanDerWaalsContact C-N 3.35Å; E416-T418 PolarHBondContact O-N 3.13Å; T418-F422 PolarHBondContact O-N 3.18Å
419	K	94.9	Very high	94.9	Very high	55 Å²	55	47.9 Å²	47.9	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-72.4	-39.4	177	-63.7	179.4	-178.8	157.3	0	111.1	A207 T208 E416 E417 F422 L423	A207-K419 HydrophobicContact CB-CB 4.24Å; A207-K419 WeakPolarHBondContact CB-O 3.46Å; T208-K419 HydrophobicContact CG2-CB 3.81Å; T208-K419 HydrophobicContact CG2-CG 3.92Å; E416-K419 HydrophobicContact CB-CB 4.46Å; E416-K419 HydrophobicContact CB-CD 4.19Å; E416-K419 HydrophobicContact CB-CG 4.33Å; E416-K419 PolarHBondContact O-N 2.83Å; E416-K419 IonicContact OE1-NZ 3.24Å; E416-K419 PolarHBondContact OE1-NZ 2.78Å; E416-K419 WeakPolarHBondContact OE2-CE 3.34Å; E416-K419 IonicContact OE2-NZ 3.5Å; E416-K419 PolarHBondContact OE2-NZ 2.87Å; E417-K419 VanDerWaalsContact C-N 3.31Å; E417-K419 PolarHBondContact O-N 3.4Å; K419-F422 PolarHBondContact O-N 2.98Å; K419-L423 PolarHBondContact O-N 2.88Å
420	M	95.4	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-44.8	173.5	-69.1	173.8	81.6	0	0	111.6	Q11 T204 F412 E416 E417 F422 L423 K424 K437	Q11-M420 HydrophobicContact CB-SD 4.39Å; Q11-M420 HydrophobicContact CG-SD 4.24Å; T204-M420 HydrophobicContact CG2-CG 4.43Å; T204-M420 VanDerWaalsContact OG1-CG 3.24Å; T204-M420 WeakPolarHBondContact OG1-CG 3.47Å; F412-M420 HydrophobicContact CB-CE 3.41Å; F412-M420 VanDerWaalsContact CB-CE 3.41Å; F412-M420 WeakPolarHBondContact O-CE 3.15Å; E416-M420 WeakPolarHBondContact O-CG 3.1Å; E416-M420 PolarHBondContact O-N 3.32Å; E417-M420 WeakPolarHBondContact O-CB 3.45Å; E417-M420 PolarHBondContact O-N 3.29Å; M420-F422 VanDerWaalsContact C-N 3.31Å; M420-F422 PolarHBondContact O-N 2.87Å; M420-L423 PolarHBondContact O-N 3.39Å; M420-K424 VanDerWaalsContact O-CB 3.24Å; M420-K424 WeakPolarHBondContact O-CB 3.43Å; M420-K424 PolarHBondContact O-N 2.76Å; M420-K437 HydrophobicContact CB-CD 4.36Å; M420-K437 HydrophobicContact CE-CB 3.84Å
421	E	97.5	Very high	95.3	Very high	45 Å²	45	53.9 Å²	53.9	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-40.9	178.8	179.8	58.5	-163	0	0	111.7	E417 K424 R425 K437	E417-E421 WeakPolarHBondContact O-CB 3.23Å; E417-E421 PolarHBondContact O-N 3.05Å; E421-K424 PolarHBondContact O-N 3.39Å; E421-R425 WeakPolarHBondContact O-CG 3.26Å; E421-R425 PolarHBondContact O-N 3.08Å; E421-R425 VanDerWaalsContact O-N 3.1Å; E421-R425 IonicContact OE1-CZ 2.9Å; E421-R425 IonicContact OE1-NE 3.1Å; E421-R425 PolarHBondContact OE1-NE 2.84Å; E421-R425 IonicContact OE1-NH2 2.82Å; E421-R425 PolarHBondContact OE1-NH2 3.34Å; E421-K437 HydrophobicContact CB-CD 4.28Å; E421-K437 WeakPolarHBondContact OE2-CD 3.41Å; E421-K437 WeakPolarHBondContact OE2-CE 3.4Å
422	F	96.5	Very high	95.3	Very high	122 Å²	122	62.5 Å²	62.5	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-49.8	174.6	178.9	-90.1	0	0	0	112.2	T208 T418 K419 M420 K424 K426	T208-F422 HydrophobicContact CG2-CB 3.91Å; T208-F422 HydrophobicContact CG2-CD1 3.68Å; T208-F422 HydrophobicContact CG2-CE1 4.46Å; T208-F422 HydrophobicContact CG2-CG 3.93Å; T418-F422 PolarHBondContact O-N 3.18Å; K419-F422 PolarHBondContact O-N 2.98Å; M420-F422 VanDerWaalsContact C-N 3.31Å; M420-F422 PolarHBondContact O-N 2.87Å; F422-K424 VanDerWaalsContact C-N 3.35Å; F422-K426 PolarHBondContact O-N 3.02Å
423	L	96.2	Very high	95.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-36.5	180	-177.3	64.4	0	0	0	111.8	T204 A207 A395 I398 I399 F412 K419 M420 K426 V427	T204-L423 HydrophobicContact CG2-CD2 4.11Å; A207-L423 HydrophobicContact CB-CB 3.82Å; A207-L423 HydrophobicContact CB-CD2 3.74Å; A207-L423 HydrophobicContact CB-CG 4.4Å; A395-L423 HydrophobicContact CB-CD1 4.47Å; I398-L423 HydrophobicContact CB-CD2 4.36Å; I398-L423 HydrophobicContact CD1-CD2 3.92Å; I398-L423 HydrophobicContact CG2-CD2 3.9Å; I399-L423 HydrophobicContact CD1-CD1 4.14Å; I399-L423 HydrophobicContact CG1-CD1 4.19Å; F412-L423 HydrophobicContact CE1-CD2 4.22Å; F412-L423 HydrophobicContact CE2-CB 4.13Å; F412-L423 HydrophobicContact CE2-CD2 3.96Å; F412-L423 HydrophobicContact CE2-CG 3.79Å; F412-L423 HydrophobicContact CZ-CD2 3.7Å; F412-L423 HydrophobicContact CZ-CG 3.78Å; K419-L423 PolarHBondContact O-N 2.88Å; M420-L423 PolarHBondContact O-N 3.39Å; L423-K426 WeakPolarHBondContact O-CB 2.98Å; L423-K426 PolarHBondContact O-N 2.91Å; L423-V427 HydrophobicContact CD1-CG2 4.21Å; L423-V427 HydrophobicContact CG-CG2 4.3Å; L423-V427 WeakPolarHBondContact O-CG2 3.36Å; L423-V427 PolarHBondContact O-N 3.17Å
424	K	97	Very high	95.2	Very high	39 Å²	39	66.4 Å²	66.4	17%	0.17	31%	0.311	C	S	.	.	H	α-helix	trans	-55.4	-55	175.6	164.9	168.8	-173.9	-65	0	111	F412 M420 E421 F422 K426 V427 E428 V435 K437	F412-K424 HydrophobicContact CD2-CB 4.24Å; F412-K424 HydrophobicContact CE2-CB 4.18Å; M420-K424 VanDerWaalsContact O-CB 3.24Å; M420-K424 WeakPolarHBondContact O-CB 3.43Å; M420-K424 PolarHBondContact O-N 2.76Å; E421-K424 PolarHBondContact O-N 3.39Å; F422-K424 VanDerWaalsContact C-N 3.35Å; K424-K426 PolarHBondContact O-N 2.72Å; K424-V427 PolarHBondContact O-N 2.93Å; K424-V427 VanDerWaalsContact O-N 3.14Å; K424-E428 WeakPolarHBondContact CE-OE1 3.5Å; K424-E428 HydrophobicContact CG-CG 4.34Å; K424-E428 WeakPolarHBondContact CG-OE2 3.27Å; K424-E428 IonicContact NZ-OE1 2.68Å; K424-E428 PolarHBondContact NZ-OE1 3.37Å; K424-E428 IonicContact NZ-OE2 2.81Å; K424-E428 PolarHBondContact NZ-OE2 3.37Å; K424-E428 WeakPolarHBondContact O-CB 3.34Å; K424-E428 WeakPolarHBondContact O-CG 3.41Å; K424-E428 PolarHBondContact O-N 2.62Å; K424-V435 HydrophobicContact CB-CG1 4.03Å; K424-V435 HydrophobicContact CD-CB 4.41Å; K424-V435 HydrophobicContact CD-CG1 4.3Å; K424-V435 WeakPolarHBondContact CE-O 3.14Å; K424-V435 HydrophobicContact CG-CB 3.96Å; K424-V435 HydrophobicContact CG-CG1 3.91Å; K424-K437 HydrophobicContact CD-CD 4.25Å; K424-K437 HydrophobicContact CD-CG 4.03Å
425	R	97	Very high	95.3	Very high	165 Å²	165	66.5 Å²	66.5	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-57.2	-39.4	178.6	-69.7	177.8	-174	-165.6	1.4	112.1	E421 K429	E421-R425 WeakPolarHBondContact O-CG 3.26Å; E421-R425 PolarHBondContact O-N 3.08Å; E421-R425 VanDerWaalsContact O-N 3.1Å; E421-R425 IonicContact OE1-CZ 2.9Å; E421-R425 IonicContact OE1-NE 3.1Å; E421-R425 PolarHBondContact OE1-NE 2.84Å; E421-R425 IonicContact OE1-NH2 2.82Å; E421-R425 PolarHBondContact OE1-NH2 3.34Å; R425-K429 VanDerWaalsContact O-CB 3.25Å; R425-K429 WeakPolarHBondContact O-CB 3.25Å; R425-K429 PolarHBondContact O-N 2.8Å; R425-K429 VanDerWaalsContact O-N 3.09Å
426	K	95.8	Very high	95.4	Very high	64 Å²	64	69.7 Å²	69.7	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-47.1	178	-174.2	176.3	179.2	-179.1	0	111.8	I399 F422 L423 K424 K429 E430	I399-K426 HydrophobicContact CD1-CD 4.01Å; I399-K426 HydrophobicContact CD1-CG 4.48Å; F422-K426 PolarHBondContact O-N 3.02Å; L423-K426 WeakPolarHBondContact O-CB 2.98Å; L423-K426 PolarHBondContact O-N 2.91Å; K424-K426 PolarHBondContact O-N 2.72Å; K426-K429 PolarHBondContact O-N 3.11Å; K426-E430 WeakPolarHBondContact CE-OE1 3.24Å; K426-E430 HydrophobicContact CG-CG 4.48Å; K426-E430 WeakPolarHBondContact CG-OE1 3.45Å; K426-E430 WeakPolarHBondContact O-CB 3.38Å; K426-E430 WeakPolarHBondContact O-CG 3.27Å; K426-E430 PolarHBondContact O-N 2.78Å
427	V	96.1	Very high	95.5	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-43.9	179.5	168.8	0	0	0	0	111.8	I399 I402 F412 L423 K424 K429 E430 L431 L433 V435	I399-V427 HydrophobicContact CG1-CG2 4.08Å; I402-V427 HydrophobicContact CD1-CG1 4.1Å; I402-V427 HydrophobicContact CD1-CG2 3.93Å; F412-V427 HydrophobicContact CZ-CB 4.49Å; F412-V427 HydrophobicContact CZ-CG2 4.04Å; L423-V427 HydrophobicContact CD1-CG2 4.21Å; L423-V427 HydrophobicContact CG-CG2 4.3Å; L423-V427 WeakPolarHBondContact O-CG2 3.36Å; L423-V427 PolarHBondContact O-N 3.17Å; K424-V427 PolarHBondContact O-N 2.93Å; K424-V427 VanDerWaalsContact O-N 3.14Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.1Å; V427-E430 PolarHBondContact O-N 3.16Å; V427-L431 HydrophobicContact CG1-CD1 4.15Å; V427-L431 WeakPolarHBondContact O-CB 3.39Å; V427-L431 PolarHBondContact O-N 3.45Å; V427-L433 HydrophobicContact CG1-CD1 4.18Å; V427-L433 HydrophobicContact CG1-CG 4.47Å; V427-V435 HydrophobicContact CB-CG2 4.1Å; V427-V435 HydrophobicContact CG1-CG2 3.56Å
428	E	97	Very high	95.5	Very high	63 Å²	63	65 Å²	65	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-40.2	176.5	-71.9	176.8	144.5	0	0	111.2	K424 E432 V435	K424-E428 WeakPolarHBondContact CE-OE1 3.5Å; K424-E428 HydrophobicContact CG-CG 4.34Å; K424-E428 WeakPolarHBondContact CG-OE2 3.27Å; K424-E428 IonicContact NZ-OE1 2.68Å; K424-E428 PolarHBondContact NZ-OE1 3.37Å; K424-E428 IonicContact NZ-OE2 2.81Å; K424-E428 PolarHBondContact NZ-OE2 3.37Å; K424-E428 WeakPolarHBondContact O-CB 3.34Å; K424-E428 WeakPolarHBondContact O-CG 3.41Å; K424-E428 PolarHBondContact O-N 2.62Å; E428-E432 WeakPolarHBondContact O-CA 3.46Å; E428-E432 PolarHBondContact O-N 3.45Å; E428-V435 HydrophobicContact CG-CB 3.9Å; E428-V435 HydrophobicContact CG-CG2 3.64Å
429	K	95.4	Very high	95.5	Very high	182 Å²	182	65.6 Å²	65.6	79%	0.791	30%	0.3	S	S	*	.	H	α-helix	trans	-71.6	-42	177.4	-175.7	-178.9	178.8	-177.4	0	113.3	R425 K426 V427	R425-K429 VanDerWaalsContact O-CB 3.25Å; R425-K429 WeakPolarHBondContact O-CB 3.25Å; R425-K429 PolarHBondContact O-N 2.8Å; R425-K429 VanDerWaalsContact O-N 3.09Å; K426-K429 PolarHBondContact O-N 3.11Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.1Å
430	E	94.9	Very high	95.4	Very high	91 Å²	91	65.5 Å²	65.5	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-83.6	-33.1	-174	-75.2	-174.7	-157.1	0	0	113.7	R403 K426 V427	R403-E430 IonicContact NH2-OE2 2.97Å; R403-E430 PolarHBondContact NH2-OE2 2.94Å; R403-E430 VanDerWaalsContact NH2-OE2 3.1Å; K426-E430 WeakPolarHBondContact CE-OE1 3.24Å; K426-E430 HydrophobicContact CG-CG 4.48Å; K426-E430 WeakPolarHBondContact CG-OE1 3.45Å; K426-E430 WeakPolarHBondContact O-CB 3.38Å; K426-E430 WeakPolarHBondContact O-CG 3.27Å; K426-E430 PolarHBondContact O-N 2.78Å; V427-E430 PolarHBondContact O-N 3.16Å
431	L	94.5	Very high	95.1	Very high	43 Å²	43	68 Å²	68	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-116.4	-1.5	-171.4	-54.4	-175.3	0	0	0	113.5	I402 R403 V427 L433	I402-L431 HydrophobicContact CB-CD1 3.96Å; I402-L431 HydrophobicContact CG2-CD1 3.38Å; R403-L431 HydrophobicContact CG-CD1 4.34Å; R403-L431 HydrophobicContact CG-CD2 3.92Å; V427-L431 HydrophobicContact CG1-CD1 4.15Å; V427-L431 WeakPolarHBondContact O-CB 3.39Å; V427-L431 PolarHBondContact O-N 3.45Å; L431-L433 HydrophobicContact CB-CD2 3.71Å; L431-L433 HydrophobicContact CB-CG 4.1Å; L431-L433 HydrophobicContact CD1-CD2 4.26Å; L431-L433 PolarHBondContact O-N 3.03Å; L431-L433 VanDerWaalsContact O-N 3.08Å
432	E	93.7	Very high	94.9	Very high	181 Å²	181	70.9 Å²	70.9	85%	0.846	34%	0.341	S	S	*	.			trans	51.8	33.8	174.7	-58.4	-174	170	0	0	114.4	E428	E428-E432 WeakPolarHBondContact O-CA 3.46Å; E428-E432 PolarHBondContact O-N 3.45Å
433	L	92.2	Very high	94.7	Very high	21 Å²	21	66.5 Å²	66.5	11%	0.11	32%	0.324	C	S	.	.			trans	-119.9	148.6	179.9	65.5	88.7	0	0	0	111.6	I402 P407 V410 V427 L431 V435	I402-L433 HydrophobicContact CG2-CD2 3.95Å; P407-L433 HydrophobicContact CG-CD2 4.25Å; V410-L433 HydrophobicContact CB-CD1 3.96Å; V410-L433 HydrophobicContact CG2-CD1 3.49Å; V410-L433 VanDerWaalsContact CG2-CD1 3.49Å; V427-L433 HydrophobicContact CG1-CD1 4.18Å; V427-L433 HydrophobicContact CG1-CG 4.47Å; L431-L433 HydrophobicContact CB-CD2 3.71Å; L431-L433 HydrophobicContact CB-CG 4.1Å; L431-L433 HydrophobicContact CD1-CD2 4.26Å; L431-L433 PolarHBondContact O-N 3.03Å; L431-L433 VanDerWaalsContact O-N 3.08Å; L433-V435 HydrophobicContact CD1-CG2 3.82Å
434	P	94	Very high	94.5	Very high	70 Å²	70	66.9 Å²	66.9	46%	0.455	33%	0.326	S	S	.	.			trans	-63.7	133.9	176.1	-19.9	32.2	0	0	0	112	R408 S409 V410 F436	R408-P434 WeakPolarHBondContact O-CD 3.38Å; S409-P434 CarbonylContact C-O 3.53Å; S409-P434 WeakPolarHBondContact CA-O 3.35Å; V410-P434 PolarHBondContact N-O 2.68Å; P434-F436 HydrophobicContact CB-CZ 4.44Å
435	V	96	Very high	94.1	Very high	6 Å²	6	70.5 Å²	70.5	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	176.6	-177.7	0	0	0	0	109.8	V410 F412 K424 V427 E428 L433	V410-V435 HydrophobicContact CB-CG1 4.42Å; V410-V435 HydrophobicContact CB-CG2 4.28Å; V410-V435 HydrophobicContact CG1-CG1 4.41Å; V410-V435 CarbonylContact O-C 3.37Å; V410-V435 VanDerWaalsContact O-CA 3.27Å; V410-V435 WeakPolarHBondContact O-CA 3.37Å; F412-V435 HydrophobicContact CD2-CG1 3.57Å; F412-V435 HydrophobicContact CE2-CG1 3.54Å; F412-V435 HydrophobicContact CG-CG1 4.16Å; F412-V435 HydrophobicContact CZ-CG1 4.1Å; K424-V435 HydrophobicContact CB-CG1 4.03Å; K424-V435 HydrophobicContact CD-CB 4.41Å; K424-V435 HydrophobicContact CD-CG1 4.3Å; K424-V435 WeakPolarHBondContact CE-O 3.14Å; K424-V435 HydrophobicContact CG-CB 3.96Å; K424-V435 HydrophobicContact CG-CG1 3.91Å; V427-V435 HydrophobicContact CB-CG2 4.1Å; V427-V435 HydrophobicContact CG1-CG2 3.56Å; E428-V435 HydrophobicContact CG-CB 3.9Å; E428-V435 HydrophobicContact CG-CG2 3.64Å; L433-V435 HydrophobicContact CD1-CG2 3.82Å
436	F	95.5	Very high	93.4	Very high	67 Å²	67	63 Å²	63	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.8	176.6	-52.4	-74.6	0	0	0	110.4	V410 M411 F412 P434 V444 V446	V410-F436 WeakPolarHBondContact O-CD2 3.29Å; V410-F436 PolarHBondContact O-N 2.97Å; M411-F436 CarbonylContact C-O 3.46Å; M411-F436 WeakPolarHBondContact CA-O 3.03Å; M411-F436 HydrophobicContact CB-CB 4.27Å; M411-F436 HydrophobicContact CG-CB 4.12Å; F412-F436 PolarHBondContact N-O 3.49Å; P434-F436 HydrophobicContact CB-CZ 4.44Å; F436-V444 HydrophobicContact CB-CG1 4.21Å; F436-V444 HydrophobicContact CB-CG2 4.34Å; F436-V444 HydrophobicContact CD1-CG1 3.88Å; F436-V444 HydrophobicContact CD2-CG1 3.81Å; F436-V444 HydrophobicContact CE1-CG1 4.18Å; F436-V444 HydrophobicContact CE2-CG1 4.1Å; F436-V444 HydrophobicContact CG-CG1 3.69Å; F436-V444 HydrophobicContact CZ-CG1 4.28Å; F436-V446 HydrophobicContact CE2-CG2 4.23Å
437	K	95.5	Very high	92.4	Very high	41 Å²	41	70.5 Å²	70.5	18%	0.178	34%	0.343	C	S	.	.			trans	-137.9	61.9	172.4	59.5	163	-161.2	84.3	0	111.5	Q11 E417 M420 E421 K424	Q11-K437 VanDerWaalsContact NE2-NZ 3.15Å; Q11-K437 PolarHBondContact NE2-O 2.79Å; E417-K437 IonicContact OE1-NZ 3.7Å; M420-K437 HydrophobicContact CB-CD 4.36Å; M420-K437 HydrophobicContact CE-CB 3.84Å; E421-K437 HydrophobicContact CB-CD 4.28Å; E421-K437 WeakPolarHBondContact OE2-CD 3.41Å; E421-K437 WeakPolarHBondContact OE2-CE 3.4Å; K424-K437 HydrophobicContact CD-CD 4.25Å; K424-K437 HydrophobicContact CD-CG 4.03Å
438	P	95	Very high	91.1	Very high	7 Å²	7	71.5 Å²	71.5	5%	0.045	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60	145.2	-171.6	28.4	-37.9	0	0	0	112.7	V6 G10 M411 H442 V444	V6-P438 HydrophobicContact CB-CG 4.35Å; V6-P438 HydrophobicContact CG2-CB 4.16Å; V6-P438 HydrophobicContact CG2-CG 3.5Å; G10-P438 WeakPolarHBondContact CA-O 3.49Å; M411-P438 HydrophobicContact CG-CG 3.96Å; M411-P438 HydrophobicContact SD-CG 3.73Å; P438-H442 HydrophobicContact CB-CB 4.02Å; P438-V444 HydrophobicContact CB-CG2 3.75Å; P438-V444 HydrophobicContact CG-CG2 3.84Å
439	E	95.1	Very high	89.6	Confident	115 Å²	115	72.1 Å²	72.1	54%	0.537	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-74.8	163.5	164.8	-67.9	169.2	-153.4	0	0	110.3	Q11 G441 H442	Q11-E439 HydrophobicContact CG-CG 4.26Å; Q11-E439 VanDerWaalsContact NE2-CG 3.3Å; E439-G441 PolarHBondContact O-N 3.45Å; E439-H442 VanDerWaalsContact O-CB 3.26Å; E439-H442 WeakPolarHBondContact O-CB 3.12Å; E439-H442 PolarHBondContact O-N 3.07Å; E439-H442 VanDerWaalsContact O-N 3.11Å
440	N	92.7	Very high	87.8	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.283	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	137.2	168.8	-66.9	-44.7	0	0	0	110.7	V6 G8 G10 E12 R15 H442	V6-N440 CarbonylContact O-C 3.57Å; V6-N440 WeakPolarHBondContact O-CA 3.36Å; G8-N440 WeakPolarHBondContact CA-OD1 3.31Å; G8-N440 PolarHBondContact N-OD1 3.24Å; G10-N440 WeakPolarHBondContact CA-OD1 3.48Å; G10-N440 PolarHBondContact N-OD1 2.79Å; G10-N440 PolarHBondContact O-ND2 2.79Å; E12-N440 PolarHBondContact OE1-ND2 2.97Å; R15-N440 PolarHBondContact NH2-ND2 2.78Å; N440-H442 VanDerWaalsContact C-N 3.28Å
441	G	90.6	Very high	86.2	Confident	52 Å²	52	68.9 Å²	68.9	54%	0.536	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9.5	-174.4	0	0	0	0	0	114.5	V6 E439	V6-G441 PolarHBondContact O-N 2.63Å; E439-G441 PolarHBondContact O-N 3.45Å
442	H	92.5	Very high	84.7	Confident	105 Å²	105	72.2 Å²	72.2	49%	0.486	37%	0.372	S	S	.	.			trans	-82.6	143.3	179.6	-164.9	79.4	0	0	0	112.1	V6 P438 E439 N440	V6-H442 PolarHBondContact N-O 2.62Å; P438-H442 HydrophobicContact CB-CB 4.02Å; E439-H442 VanDerWaalsContact O-CB 3.26Å; E439-H442 WeakPolarHBondContact O-CB 3.12Å; E439-H442 PolarHBondContact O-N 3.07Å; E439-H442 VanDerWaalsContact O-N 3.11Å; N440-H442 VanDerWaalsContact C-N 3.28Å
443	T	92.1	Very high	83.6	Confident	31 Å²	31	69.5 Å²	69.5	19%	0.19	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.5	175.2	-58.7	0	0	0	0	110.4	N3 L4 I5 H445	N3-T443 HydrophobicContact CB-CG2 4.09Å; L4-T443 CarbonylContact O-C 3.09Å; L4-T443 WeakPolarHBondContact O-CA 3.15Å; I5-T443 HydrophobicContact CG1-CG2 3.91Å; I5-T443 WeakPolarHBondContact CG1-OG1 3.39Å; T443-H445 VanDerWaalsContact CG2-CE1 3.48Å; T443-H445 WeakPolarHBondContact CG2-CE1 3.31Å
444	V	91.6	Very high	82.9	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120	172	-176	0	0	0	0	109.1	L4 M411 F436 P438 V446	L4-V444 HydrophobicContact CB-CB 4.35Å; L4-V444 PolarHBondContact N-O 2.81Å; L4-V444 PolarHBondContact O-N 3.45Å; M411-V444 HydrophobicContact SD-CB 4.23Å; M411-V444 HydrophobicContact SD-CG2 3.85Å; F436-V444 HydrophobicContact CB-CG1 4.21Å; F436-V444 HydrophobicContact CB-CG2 4.34Å; F436-V444 HydrophobicContact CD1-CG1 3.88Å; F436-V444 HydrophobicContact CD2-CG1 3.81Å; F436-V444 HydrophobicContact CE1-CG1 4.18Å; F436-V444 HydrophobicContact CE2-CG1 4.1Å; F436-V444 HydrophobicContact CG-CG1 3.69Å; F436-V444 HydrophobicContact CZ-CG1 4.28Å; P438-V444 HydrophobicContact CB-CG2 3.75Å; P438-V444 HydrophobicContact CG-CG2 3.84Å; V444-V446 HydrophobicContact CG1-CG2 3.95Å
445	H	89.4	Confident	82.3	Confident	115 Å²	115	73.3 Å²	73.3	53%	0.532	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.1	176	-61	-69.1	0	0	0	110.5	M1 N3 T443	M1-H445 HydrophobicContact SD-CB 4.4Å; N3-H445 PolarHBondContact OD1-ND1 3.22Å; T443-H445 VanDerWaalsContact CG2-CE1 3.48Å; T443-H445 WeakPolarHBondContact CG2-CE1 3.31Å
446	V	82.9	Confident	81.8	Confident	8 Å²	8	75.1 Å²	75.1	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.1	178.7	178.6	0	0	0	0	108.7	M1 F2 V199 F436 V444 T448	M1-V446 WeakPolarHBondContact CA-O 3.35Å; F2-V446 HydrophobicContact CB-CB 3.99Å; F2-V446 PolarHBondContact N-O 2.61Å; F2-V446 PolarHBondContact O-N 3.43Å; V199-V446 HydrophobicContact CG2-CB 3.79Å; V199-V446 HydrophobicContact CG2-CG1 3.37Å; V199-V446 HydrophobicContact CG2-CG2 3.54Å; F436-V446 HydrophobicContact CE2-CG2 4.23Å; V444-V446 HydrophobicContact CG1-CG2 3.95Å; V446-T448 PolarHBondContact O-N 3.07Å
447	R	74.7	Confident	81.2	Confident	221 Å²	221	74.8 Å²	74.8	83%	0.834	39%	0.394	S	S	*	.			trans	-72.3	123.3	174.5	-69.6	-175.3	-178.6	178.8	0.8	108.7
448	T	67.4	Low	80.7	Confident	22 Å²	22	77.3 Å²	77.3	14%	0.135	42%	0.415	C	S	.	.			trans	-107.4	152.6	174.1	54.7	0	0	0	0	110.8	M1 F2 H172 D198 V446 P450	M1-T448 PolarHBondContact N-OG1 3.37Å; M1-T448 VanDerWaalsContact N-OG1 3.1Å; F2-T448 HydrophobicContact CB-CG2 4.48Å; F2-T448 HydrophobicContact CD2-CG2 3.14Å; F2-T448 HydrophobicContact CE2-CG2 3.57Å; F2-T448 HydrophobicContact CG-CG2 3.93Å; H172-T448 VanDerWaalsContact CE1-CB 3.4Å; H172-T448 WeakPolarHBondContact CE1-CB 3.47Å; D198-T448 HydrophobicContact CB-CG2 4.23Å; V446-T448 PolarHBondContact O-N 3.07Å; T448-P450 VanDerWaalsContact O-CD 3.31Å; T448-P450 WeakPolarHBondContact O-CD 3.22Å
449	S	65.8	Low	80.1	Confident	76 Å²	76	78.5 Å²	78.5	53%	0.531	43%	0.429	S	S	.	.			trans	-105.2	91	172.6	-57.9	0	0	0	0	107.7	E451	S449-E451 PolarHBondContact O-N 3.49Å
450	P	58.5	Low	79.6	Confident	84 Å²	84	73.6 Å²	73.6	55%	0.545	41%	0.406	S	S	.	.			trans	-60	126.8	179.8	24.8	-32.4	0	0	0	109.2	T448 I452	T448-P450 VanDerWaalsContact O-CD 3.31Å; T448-P450 WeakPolarHBondContact O-CD 3.22Å; P450-I452 PolarHBondContact O-N 3.24Å
451	E	60.2	Low	79	Confident	121 Å²	121	74.1 Å²	74.1	57%	0.565	41%	0.408	S	S	*	.			trans	-83.8	111.6	170.5	-69.4	-173.3	171.4	0	0	108.1	S449	S449-E451 PolarHBondContact O-N 3.49Å
452	I	64.4	Low	78.4	Confident	113 Å²	113	79.1 Å²	79.1	58%	0.579	42%	0.415	S	S	*	.			trans	-86.8	114.5	173.5	-56.8	175.4	0	0	0	107.1	P450 V454 M491	P450-I452 PolarHBondContact O-N 3.24Å; I452-V454 HydrophobicContact CG2-CG1 3.94Å; I452-V454 PolarHBondContact O-N 2.75Å; I452-M491 HydrophobicContact CG2-SD 3.62Å
453	I	69	Low	77.8	Confident	124 Å²	124	81 Å²	81	64%	0.636	42%	0.418	S	S	*	.			trans	-72.1	120	173.2	-57.6	176.1	0	0	0	107.6
454	V	79.2	Confident	77	Confident	56 Å²	56	81.4 Å²	81.4	34%	0.339	42%	0.421	S	S	.	.			trans	-122.6	144.9	176.3	-60.7	0	0	0	0	109.1	I452 L482 M491 V493	I452-V454 HydrophobicContact CG2-CG1 3.94Å; I452-V454 PolarHBondContact O-N 2.75Å; V454-L482 HydrophobicContact CB-CD1 4.48Å; V454-L482 HydrophobicContact CG1-CD1 3.84Å; V454-M491 WeakPolarHBondContact CA-O 3.49Å; V454-M491 HydrophobicContact CG1-CB 4.14Å; V454-V493 HydrophobicContact CB-CG2 3.88Å; V454-V493 HydrophobicContact CG1-CG2 4.44Å; V454-V493 HydrophobicContact CG2-CG2 3.61Å
455	H	80.7	Confident	76.1	Confident	115 Å²	115	84 Å²	84	53%	0.532	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146	176.1	-56.9	-83	0	0	0	110.5	M491 N492 V493	H455-M491 PolarHBondContact N-O 3.28Å; H455-N492 WeakPolarHBondContact CB-OD1 3.37Å; H455-N492 CarbonylContact O-C 3.53Å; H455-N492 WeakPolarHBondContact O-CA 3.5Å; H455-V493 PolarHBondContact O-N 2.96Å
456	T	85.6	Confident	75.3	Confident	44 Å²	44	88.4 Å²	88.4	27%	0.27	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.5	175.1	174.9	0	0	0	0	108.7	F460 I461 F478 V493	T456-F460 WeakPolarHBondContact OG1-CD1 3.39Å; T456-I461 HydrophobicContact CG2-CD1 3.56Å; T456-I461 HydrophobicContact CG2-CG1 3.64Å; T456-F478 HydrophobicContact CG2-CZ 4.49Å; T456-V493 WeakPolarHBondContact CB-O 3.45Å; T456-V493 PolarHBondContact OG1-O 3.44Å
457	S	83.1	Confident	74.5	Confident	60 Å²	60	94.7 Å²	94.7	42%	0.42	48%	0.479	S	S	.	.			trans	-69.7	139.9	176.1	74.8	0	0	0	0	111.4	G459 F460 I461	S457-G459 PolarHBondContact O-N 3.38Å; S457-F460 PolarHBondContact O-N 3.09Å; S457-F460 VanDerWaalsContact O-N 3.11Å; S457-F460 VanDerWaalsContact OG-CB 3.29Å; S457-F460 WeakPolarHBondContact OG-CB 3.33Å; S457-F460 PolarHBondContact OG-N 3.39Å; S457-I461 PolarHBondContact O-N 3.07Å
458	C	83.6	Confident	74.1	Confident	94 Å²	94	88 Å²	88	64%	0.635	46%	0.457	S	S	*	.	H	α-helix	trans	-58.4	-34	174.6	-73.5	0	0	0	0	112.2	F460 I461 K462	C458-F460 VanDerWaalsContact C-N 3.33Å; C458-F460 PolarHBondContact O-N 3.22Å; C458-I461 PolarHBondContact O-N 3.33Å; C458-K462 WeakPolarHBondContact O-CG 3.09Å; C458-K462 PolarHBondContact O-N 3.46Å
459	G	84	Confident	73.9	Confident	32 Å²	32	93.1 Å²	93.1	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-40.4	176.4	0	0	0	0	0	112.3	S457 K462 R463	S457-G459 PolarHBondContact O-N 3.38Å; G459-K462 PolarHBondContact O-N 3.14Å; G459-R463 WeakPolarHBondContact O-CG 3.22Å; G459-R463 PolarHBondContact O-N 2.99Å
460	F	83.1	Confident	74	Confident	13 Å²	13	92.7 Å²	92.7	6%	0.057	48%	0.481	C	S	.	.	H	α-helix	trans	-68.4	-42.8	177.8	-179.1	-149.1	0	0	0	112.5	T456 S457 C458 K462 R463 T464 F478 R479 V493 Y494 P495	T456-F460 WeakPolarHBondContact OG1-CD1 3.39Å; S457-F460 PolarHBondContact O-N 3.09Å; S457-F460 VanDerWaalsContact O-N 3.11Å; S457-F460 VanDerWaalsContact OG-CB 3.29Å; S457-F460 WeakPolarHBondContact OG-CB 3.33Å; S457-F460 PolarHBondContact OG-N 3.39Å; C458-F460 VanDerWaalsContact C-N 3.33Å; C458-F460 PolarHBondContact O-N 3.22Å; F460-K462 PolarHBondContact O-N 3.24Å; F460-R463 PolarHBondContact O-N 2.49Å; F460-T464 WeakPolarHBondContact CD2-OG1 3.4Å; F460-T464 WeakPolarHBondContact CE2-OG1 3.42Å; F460-T464 WeakPolarHBondContact O-CB 3.32Å; F460-T464 PolarHBondContact O-N 3.13Å; F460-T464 PolarHBondContact O-OG1 3.29Å; F460-F478 HydrophobicContact CD1-CE2 4.09Å; F460-F478 AromaticContact CD1-CZ 3.6Å; F460-F478 HydrophobicContact CD1-CZ 3.6Å; F460-F478 HydrophobicContact CE1-CE1 4.08Å; F460-F478 AromaticContact CE1-CE2 3.93Å; F460-F478 HydrophobicContact CE1-CE2 3.93Å; F460-F478 AromaticContact CE1-CZ 3.32Å; F460-F478 HydrophobicContact CE1-CZ 3.32Å; F460-F478 HydrophobicContact CG-CE2 4.49Å; F460-F478 HydrophobicContact CG-CZ 4.41Å; F460-F478 HydrophobicContact CZ-CE2 4.22Å; F460-F478 AromaticContact CZ-CZ 3.96Å; F460-F478 HydrophobicContact CZ-CZ 3.96Å; F460-R479 VanDerWaalsContact CZ-O 3.24Å; F460-R479 WeakPolarHBondContact CZ-O 3.21Å; F460-V493 HydrophobicContact CE1-CG1 4.29Å; F460-Y494 WeakPolarHBondContact CE1-O 3.15Å; F460-P495 HydrophobicContact CB-CG 4.36Å; F460-P495 HydrophobicContact CD1-CG 4.08Å; F460-P495 HydrophobicContact CD2-CB 4.46Å; F460-P495 HydrophobicContact CD2-CG 3.66Å; F460-P495 HydrophobicContact CE1-CG 4.27Å; F460-P495 HydrophobicContact CE2-CB 4.2Å; F460-P495 HydrophobicContact CE2-CG 3.86Å; F460-P495 HydrophobicContact CG-CG 3.79Å; F460-P495 HydrophobicContact CZ-CB 4.38Å; F460-P495 HydrophobicContact CZ-CG 4.15Å
461	I	80	Confident	74.2	Confident	63 Å²	63	95 Å²	95	32%	0.323	50%	0.495	S	S	.	.	H	α-helix	trans	-56	-51.7	173.5	-65.5	173.7	0	0	0	110.1	T456 S457 C458 R463 T464 L465 F478	T456-I461 HydrophobicContact CG2-CD1 3.56Å; T456-I461 HydrophobicContact CG2-CG1 3.64Å; S457-I461 PolarHBondContact O-N 3.07Å; C458-I461 PolarHBondContact O-N 3.33Å; I461-R463 PolarHBondContact O-N 3.33Å; I461-T464 PolarHBondContact O-N 3.28Å; I461-L465 HydrophobicContact CG2-CD1 3.6Å; I461-L465 HydrophobicContact CG2-CG 4.32Å; I461-L465 WeakPolarHBondContact O-CB 3.37Å; I461-L465 WeakPolarHBondContact O-CG 3.44Å; I461-L465 PolarHBondContact O-N 3.49Å; I461-F478 HydrophobicContact CG1-CE2 4.41Å
462	K	79.8	Confident	74.2	Confident	158 Å²	158	94 Å²	94	69%	0.687	50%	0.501	S	S	*	.	H	α-helix	trans	-60.5	-42.6	-178.5	-74.1	179.6	180	-177.1	0	112.8	C458 G459 F460 L465 R466	C458-K462 WeakPolarHBondContact O-CG 3.09Å; C458-K462 PolarHBondContact O-N 3.46Å; G459-K462 PolarHBondContact O-N 3.14Å; F460-K462 PolarHBondContact O-N 3.24Å; K462-L465 PolarHBondContact O-N 3.35Å; K462-R466 PolarHBondContact O-N 2.97Å; K462-R466 VanDerWaalsContact O-N 3.11Å
463	R	78.8	Confident	74	Confident	144 Å²	144	93.9 Å²	93.9	54%	0.543	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-42.6	177.2	-75.9	-171.1	-64.4	-105.6	9.2	111.8	G459 F460 I461 R466 E498	G459-R463 WeakPolarHBondContact O-CG 3.22Å; G459-R463 PolarHBondContact O-N 2.99Å; F460-R463 PolarHBondContact O-N 2.49Å; I461-R463 PolarHBondContact O-N 3.33Å; R463-R466 WeakPolarHBondContact O-CB 3.36Å; R463-R466 PolarHBondContact O-N 2.91Å; R463-E498 IonicContact NH2-OE1 3.97Å
464	T	74.6	Confident	73.7	Confident	40 Å²	40	93.5 Å²	93.5	25%	0.245	50%	0.502	C	S	.	.	H	α-helix	trans	-68.8	-35.2	-178.9	-50.6	0	0	0	0	112	F460 I461 F478	F460-T464 WeakPolarHBondContact CD2-OG1 3.4Å; F460-T464 WeakPolarHBondContact CE2-OG1 3.42Å; F460-T464 WeakPolarHBondContact O-CB 3.32Å; F460-T464 PolarHBondContact O-N 3.13Å; F460-T464 PolarHBondContact O-OG1 3.29Å; I461-T464 PolarHBondContact O-N 3.28Å; T464-F478 HydrophobicContact CG2-CD2 3.9Å; T464-F478 HydrophobicContact CG2-CE2 4.43Å
465	L	74	Confident	72.9	Confident	61 Å²	61	100.6 Å²	100.6	32%	0.319	52%	0.523	S	S	.	.	H	α-helix	trans	-87.2	-3.9	180	-63.8	177.9	0	0	0	114.2	I461 K462 N467 Q468 W476	I461-L465 HydrophobicContact CG2-CD1 3.6Å; I461-L465 HydrophobicContact CG2-CG 4.32Å; I461-L465 WeakPolarHBondContact O-CB 3.37Å; I461-L465 WeakPolarHBondContact O-CG 3.44Å; I461-L465 PolarHBondContact O-N 3.49Å; K462-L465 PolarHBondContact O-N 3.35Å; L465-N467 PolarHBondContact O-N 3.19Å; L465-N467 VanDerWaalsContact O-N 3.11Å; L465-Q468 HydrophobicContact CD2-CG 4.44Å; L465-Q468 WeakPolarHBondContact O-CB 3.37Å; L465-Q468 PolarHBondContact O-N 2.87Å; L465-W476 HydrophobicContact CD2-CB 3.48Å; L465-W476 VanDerWaalsContact CD2-CB 3.48Å; L465-W476 HydrophobicContact CD2-CG 3.7Å
466	R	72.9	Confident	72.3	Confident	208 Å²	208	98.2 Å²	98.2	79%	0.785	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31	-169.6	-158.7	178.5	-173.2	-175.6	1.5	114.4	K462 R463	K462-R466 PolarHBondContact O-N 2.97Å; K462-R466 VanDerWaalsContact O-N 3.11Å; R463-R466 WeakPolarHBondContact O-CB 3.36Å; R463-R466 PolarHBondContact O-N 2.91Å
467	N	66	Low	71.3	Confident	139 Å²	139	100.4 Å²	100.4	74%	0.743	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.8	-178	-63.2	-12.2	0	0	0	113.2	L465	L465-N467 PolarHBondContact O-N 3.19Å; L465-N467 VanDerWaalsContact O-N 3.11Å
468	Q	66.4	Low	70.7	Confident	80 Å²	80	101.5 Å²	101.5	37%	0.374	52%	0.522	S	S	.	.			trans	-98.7	111.3	-176.2	-57.2	-55.5	-28.9	0	0	109.6	L465 W476	L465-Q468 HydrophobicContact CD2-CG 4.44Å; L465-Q468 WeakPolarHBondContact O-CB 3.37Å; L465-Q468 PolarHBondContact O-N 2.87Å; Q468-W476 HydrophobicContact CB-CD2 3.94Å; Q468-W476 HydrophobicContact CB-CE3 3.76Å; Q468-W476 HydrophobicContact CB-CH2 3.66Å; Q468-W476 HydrophobicContact CB-CZ2 3.86Å; Q468-W476 HydrophobicContact CB-CZ3 3.65Å; Q468-W476 HydrophobicContact CG-CD2 4.02Å; Q468-W476 HydrophobicContact CG-CE3 3.63Å; Q468-W476 HydrophobicContact CG-CH2 4.4Å; Q468-W476 HydrophobicContact CG-CZ3 3.88Å; Q468-W476 VanDerWaalsContact OE1-CE3 3.25Å
469	T	63.2	Low	70.2	Confident	131 Å²	131	107.5 Å²	107.5	80%	0.804	53%	0.531	S	S	*	.			trans	-112.1	-2.2	-170	51.5	0	0	0	0	114.7	P471	T469-P471 WeakPolarHBondContact O-CD 3.38Å
470	D	66.1	Low	70.2	Confident	67 Å²	67	107.7 Å²	107.7	36%	0.358	53%	0.532	S	S	.	.			trans	-90.4	101.7	-176.8	178.6	4.6	0	0	0	111.6	S472 R473 W476	D470-S472 VanDerWaalsContact CG-OG 3.25Å; D470-S472 PolarHBondContact O-N 2.92Å; D470-S472 VanDerWaalsContact O-N 3.14Å; D470-S472 WeakPolarHBondContact OD1-CB 3.39Å; D470-S472 PolarHBondContact OD1-N 3.46Å; D470-S472 PolarHBondContact OD1-OG 2.85Å; D470-S472 PolarHBondContact OD2-OG 3.15Å; D470-R473 PolarHBondContact O-N 3.29Å; D470-W476 HydrophobicContact CB-CH2 3.88Å; D470-W476 HydrophobicContact CB-CZ2 4.49Å; D470-W476 WeakPolarHBondContact O-CZ2 3.35Å
471	P	63	Low	70.4	Confident	131 Å²	131	109.5 Å²	109.5	85%	0.851	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.3	-177.8	28.8	-35.5	0	0	0	113.7	T469 R473	T469-P471 WeakPolarHBondContact O-CD 3.38Å; P471-R473 VanDerWaalsContact C-N 3.27Å; P471-R473 PolarHBondContact O-N 3.41Å
472	S	61.7	Low	70.8	Confident	100 Å²	100	110.5 Å²	110.5	70%	0.699	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-14.7	178.9	74.3	0	0	0	0	113.4	D470	D470-S472 VanDerWaalsContact CG-OG 3.25Å; D470-S472 PolarHBondContact O-N 2.92Å; D470-S472 VanDerWaalsContact O-N 3.14Å; D470-S472 WeakPolarHBondContact OD1-CB 3.39Å; D470-S472 PolarHBondContact OD1-N 3.46Å; D470-S472 PolarHBondContact OD1-OG 2.85Å; D470-S472 PolarHBondContact OD2-OG 3.15Å
473	R	59.4	Low	71	Confident	112 Å²	112	103.9 Å²	103.9	42%	0.423	52%	0.523	S	S	.	.			trans	-89	119.9	-179.4	-87.4	-176.1	171.4	-172.7	0.7	112.6	D470 P471 W476	D470-R473 PolarHBondContact O-N 3.29Å; P471-R473 VanDerWaalsContact C-N 3.27Å; P471-R473 PolarHBondContact O-N 3.41Å; R473-W476 HydrophobicContact CB-CD2 4.41Å; R473-W476 HydrophobicContact CB-CH2 3.86Å; R473-W476 HydrophobicContact CB-CZ2 3.59Å; R473-W476 HydrophobicContact CB-CZ3 4.32Å; R473-W476 HydrophobicContact CG-CH2 4.39Å; R473-W476 PolarHBondContact O-NE1 3.27Å
474	S	62.3	Low	71.4	Confident	115 Å²	115	101.4 Å²	101.4	80%	0.804	52%	0.52	S	S	*	.	S	Bend	trans	-85.8	-17.1	173.7	63.5	0	0	0	0	114.4
475	R	63.3	Low	71.8	Confident	205 Å²	205	102.3 Å²	102.3	77%	0.774	52%	0.523	S	S	*	.			trans	-130.2	123.3	-176.2	-64.4	-177.6	-178.1	-177.2	-1.2	110.8
476	W	67.8	Low	72.1	Confident	66 Å²	66	107.6 Å²	107.6	25%	0.25	55%	0.546	C	S	.	.			trans	-114.6	139.9	-179.5	-64.7	102.2	0	0	0	111	L465 Q468 D470 R473 F478	L465-W476 HydrophobicContact CD2-CB 3.48Å; L465-W476 VanDerWaalsContact CD2-CB 3.48Å; L465-W476 HydrophobicContact CD2-CG 3.7Å; Q468-W476 HydrophobicContact CB-CD2 3.94Å; Q468-W476 HydrophobicContact CB-CE3 3.76Å; Q468-W476 HydrophobicContact CB-CH2 3.66Å; Q468-W476 HydrophobicContact CB-CZ2 3.86Å; Q468-W476 HydrophobicContact CB-CZ3 3.65Å; Q468-W476 HydrophobicContact CG-CD2 4.02Å; Q468-W476 HydrophobicContact CG-CE3 3.63Å; Q468-W476 HydrophobicContact CG-CH2 4.4Å; Q468-W476 HydrophobicContact CG-CZ3 3.88Å; Q468-W476 VanDerWaalsContact OE1-CE3 3.25Å; D470-W476 HydrophobicContact CB-CH2 3.88Å; D470-W476 HydrophobicContact CB-CZ2 4.49Å; D470-W476 WeakPolarHBondContact O-CZ2 3.35Å; R473-W476 HydrophobicContact CB-CD2 4.41Å; R473-W476 HydrophobicContact CB-CH2 3.86Å; R473-W476 HydrophobicContact CB-CZ2 3.59Å; R473-W476 HydrophobicContact CB-CZ3 4.32Å; R473-W476 HydrophobicContact CG-CH2 4.39Å; R473-W476 PolarHBondContact O-NE1 3.27Å; W476-F478 PolarHBondContact O-N 3.41Å; W476-F478 VanDerWaalsContact O-N 3.17Å
477	P	64.1	Low	72.5	Confident	90 Å²	90	102 Å²	102	58%	0.584	55%	0.545	S	S	*	.			trans	-63.2	119.9	172.5	25.8	-30.9	0	0	0	109.1
478	F	70	Confident	73.2	Confident	83 Å²	83	100.6 Å²	100.6	36%	0.364	54%	0.537	S	S	.	.			trans	-109	124.3	176.6	179.2	-103.4	0	0	0	108.3	T456 F460 I461 T464 W476 V493	T456-F478 HydrophobicContact CG2-CZ 4.49Å; F460-F478 HydrophobicContact CD1-CE2 4.09Å; F460-F478 AromaticContact CD1-CZ 3.6Å; F460-F478 HydrophobicContact CD1-CZ 3.6Å; F460-F478 HydrophobicContact CE1-CE1 4.08Å; F460-F478 AromaticContact CE1-CE2 3.93Å; F460-F478 HydrophobicContact CE1-CE2 3.93Å; F460-F478 AromaticContact CE1-CZ 3.32Å; F460-F478 HydrophobicContact CE1-CZ 3.32Å; F460-F478 HydrophobicContact CG-CE2 4.49Å; F460-F478 HydrophobicContact CG-CZ 4.41Å; F460-F478 HydrophobicContact CZ-CE2 4.22Å; F460-F478 AromaticContact CZ-CZ 3.96Å; F460-F478 HydrophobicContact CZ-CZ 3.96Å; I461-F478 HydrophobicContact CG1-CE2 4.41Å; T464-F478 HydrophobicContact CG2-CD2 3.9Å; T464-F478 HydrophobicContact CG2-CE2 4.43Å; W476-F478 PolarHBondContact O-N 3.41Å; W476-F478 VanDerWaalsContact O-N 3.17Å; F478-V493 HydrophobicContact CE1-CB 4.12Å; F478-V493 HydrophobicContact CE1-CG1 3.55Å; F478-V493 HydrophobicContact CZ-CG1 4.21Å
479	R	73.6	Confident	73.7	Confident	220 Å²	220	105.2 Å²	105.2	83%	0.83	56%	0.559	S	S	*	*			trans	-110	121.2	175.3	-72.5	-173.2	179.9	-174.7	-0.5	108.7	F460	F460-R479 VanDerWaalsContact CZ-O 3.24Å; F460-R479 WeakPolarHBondContact CZ-O 3.21Å
480	G	84.4	Confident	74.5	Confident	35 Å²	35	102.6 Å²	102.6	36%	0.361	54%	0.539	S	S	.	.			trans	-159.2	172.3	174.3	0	0	0	0	0	110.3	Y494	G480-Y494 WeakPolarHBondContact CA-O 3.48Å
481	T	86.2	Confident	75.3	Confident	51 Å²	51	102.8 Å²	102.8	31%	0.313	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.3	177	-59.2	0	0	0	0	108.9	V483 V493 Y494 A499	T481-V483 HydrophobicContact CG2-CG2 4.41Å; T481-V483 PolarHBondContact O-N 2.63Å; T481-V493 WeakPolarHBondContact O-CA 3.31Å; T481-Y494 PolarHBondContact N-O 3.15Å; T481-Y494 PolarHBondContact O-N 3.21Å; T481-A499 HydrophobicContact CG2-CB 3.61Å
482	L	88.6	Confident	76.5	Confident	85 Å²	85	98 Å²	98	45%	0.445	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.3	172.2	178.5	66.4	0	0	0	109	V454 I484 M491 V493	V454-L482 HydrophobicContact CB-CD1 4.48Å; V454-L482 HydrophobicContact CG1-CD1 3.84Å; L482-I484 HydrophobicContact CD2-CD1 4.12Å; L482-I484 HydrophobicContact CD2-CG1 4.14Å; L482-I484 HydrophobicContact CG-CG1 4.02Å; L482-M491 HydrophobicContact CD1-CB 4.32Å; L482-V493 HydrophobicContact CD1-CG2 3.91Å
483	V	85.4	Confident	77.8	Confident	18 Å²	18	94 Å²	94	11%	0.109	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.2	172.1	-179.5	0	0	0	0	107.9	T481 N492 Y494 A499 L502 L503	T481-V483 HydrophobicContact CG2-CG2 4.41Å; T481-V483 PolarHBondContact O-N 2.63Å; V483-N492 PolarHBondContact N-O 2.94Å; V483-N492 PolarHBondContact O-N 3.15Å; V483-Y494 HydrophobicContact CB-CD2 3.95Å; V483-Y494 HydrophobicContact CB-CE2 3.93Å; V483-Y494 HydrophobicContact CG2-CD2 3.69Å; V483-Y494 HydrophobicContact CG2-CE2 4.13Å; V483-A499 HydrophobicContact CG2-CB 3.96Å; V483-L502 HydrophobicContact CG1-CD2 4.08Å; V483-L503 HydrophobicContact CG1-CD2 4.09Å; V483-L503 HydrophobicContact CG2-CD1 4.28Å
484	I	86.9	Confident	79.1	Confident	93 Å²	93	91.5 Å²	91.5	48%	0.477	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.6	-179.7	-55.5	175.1	0	0	0	107.8	L482 Q486 M491	L482-I484 HydrophobicContact CD2-CD1 4.12Å; L482-I484 HydrophobicContact CD2-CG1 4.14Å; L482-I484 HydrophobicContact CG-CG1 4.02Å; I484-Q486 HydrophobicContact CG2-CG 4.29Å; I484-Q486 PolarHBondContact O-N 3Å; I484-M491 HydrophobicContact CG1-CG 4.46Å; I484-M491 HydrophobicContact CG2-CE 4.43Å; I484-M491 HydrophobicContact CG2-CG 4.36Å
485	D	82.8	Confident	80.3	Confident	59 Å²	59	87 Å²	87	32%	0.316	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	98.7	170.8	-177.4	-14.1	0	0	0	108.8	A487 N488 Q489 L490	D485-A487 VanDerWaalsContact C-N 3.28Å; D485-A487 PolarHBondContact O-N 3.44Å; D485-A487 WeakPolarHBondContact OD1-CB 3.34Å; D485-A487 PolarHBondContact OD1-N 3.29Å; D485-N488 PolarHBondContact OD1-N 3.46Å; D485-N488 VanDerWaalsContact OD1-N 3.13Å; D485-N488 PolarHBondContact OD2-ND2 3.33Å; D485-Q489 WeakPolarHBondContact O-CA 3.45Å; D485-Q489 PolarHBondContact O-N 3.13Å; D485-L490 HydrophobicContact CB-CB 4.33Å; D485-L490 PolarHBondContact N-O 3.33Å; D485-L490 PolarHBondContact O-N 3.27Å
486	Q	80.8	Confident	81.2	Confident	171 Å²	171	80.4 Å²	80.4	80%	0.799	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.5	-179.7	-68.2	-176.2	-20.5	0	0	112.8	I484	I484-Q486 HydrophobicContact CG2-CG 4.29Å; I484-Q486 PolarHBondContact O-N 3Å
487	A	81.1	Confident	82	Confident	92 Å²	92	82.1 Å²	82.1	76%	0.76	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-41	-176.7	0	0	0	0	0	111.1	D485	D485-A487 VanDerWaalsContact C-N 3.28Å; D485-A487 PolarHBondContact O-N 3.44Å; D485-A487 WeakPolarHBondContact OD1-CB 3.34Å; D485-A487 PolarHBondContact OD1-N 3.29Å
488	N	80.3	Confident	83.1	Confident	108 Å²	108	81.7 Å²	81.7	58%	0.578	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.2	179.4	-63.7	-57.3	0	0	0	113.8	D485 L490	D485-N488 PolarHBondContact OD1-N 3.46Å; D485-N488 VanDerWaalsContact OD1-N 3.13Å; D485-N488 PolarHBondContact OD2-ND2 3.33Å; N488-L490 HydrophobicContact CB-CD1 3.86Å; N488-L490 HydrophobicContact CB-CG 3.98Å; N488-L490 PolarHBondContact O-N 2.93Å
489	Q	76.1	Confident	83.9	Confident	178 Å²	178	77.9 Å²	77.9	83%	0.832	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.5	-172.7	-57.6	-164.9	-27.9	0	0	113.3	D485	D485-Q489 WeakPolarHBondContact O-CA 3.45Å; D485-Q489 PolarHBondContact O-N 3.13Å
490	L	80.3	Confident	84.6	Confident	76 Å²	76	69.5 Å²	69.5	40%	0.398	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	-179.9	-67.1	172	0	0	0	110.6	D485 N488	D485-L490 HydrophobicContact CB-CB 4.33Å; D485-L490 PolarHBondContact N-O 3.33Å; D485-L490 PolarHBondContact O-N 3.27Å; N488-L490 HydrophobicContact CB-CD1 3.86Å; N488-L490 HydrophobicContact CB-CG 3.98Å; N488-L490 PolarHBondContact O-N 2.93Å
491	M	82.9	Confident	84.8	Confident	71 Å²	71	73.7 Å²	73.7	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108	172.9	-65.6	-172.2	-172.2	0	0	108.9	I452 V454 H455 L482 I484	I452-M491 HydrophobicContact CG2-SD 3.62Å; V454-M491 WeakPolarHBondContact CA-O 3.49Å; V454-M491 HydrophobicContact CG1-CB 4.14Å; H455-M491 PolarHBondContact N-O 3.28Å; L482-M491 HydrophobicContact CD1-CB 4.32Å; I484-M491 HydrophobicContact CG1-CG 4.46Å; I484-M491 HydrophobicContact CG2-CE 4.43Å; I484-M491 HydrophobicContact CG2-CG 4.36Å
492	N	88.1	Confident	84.9	Confident	31 Å²	31	75.8 Å²	75.8	17%	0.166	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142	-175	-65.2	-29.6	0	0	0	110.3	H455 V483 Y494	H455-N492 WeakPolarHBondContact CB-OD1 3.37Å; H455-N492 CarbonylContact O-C 3.53Å; H455-N492 WeakPolarHBondContact O-CA 3.5Å; V483-N492 PolarHBondContact N-O 2.94Å; V483-N492 PolarHBondContact O-N 3.15Å; N492-Y494 HydrophobicContact CB-CD2 4.08Å; N492-Y494 HydrophobicContact CB-CE2 3.26Å; N492-Y494 WeakPolarHBondContact CB-OH 3.42Å; N492-Y494 PolarHBondContact ND2-OH 3.47Å
493	V	88.8	Confident	84.8	Confident	14 Å²	14	76 Å²	76	9%	0.085	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.1	172.5	-167.8	0	0	0	0	109.5	V454 H455 T456 F460 F478 T481 L482	V454-V493 HydrophobicContact CB-CG2 3.88Å; V454-V493 HydrophobicContact CG1-CG2 4.44Å; V454-V493 HydrophobicContact CG2-CG2 3.61Å; H455-V493 PolarHBondContact O-N 2.96Å; T456-V493 WeakPolarHBondContact CB-O 3.45Å; T456-V493 PolarHBondContact OG1-O 3.44Å; F460-V493 HydrophobicContact CE1-CG1 4.29Å; F478-V493 HydrophobicContact CE1-CB 4.12Å; F478-V493 HydrophobicContact CE1-CG1 3.55Å; F478-V493 HydrophobicContact CZ-CG1 4.21Å; T481-V493 WeakPolarHBondContact O-CA 3.31Å; L482-V493 HydrophobicContact CD1-CG2 3.91Å
494	Y	87.5	Confident	85	Confident	61 Å²	61	84.4 Å²	84.4	24%	0.239	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.4	-177.8	-62.5	-85.2	0	0	0	111.1	F460 G480 T481 V483 N492 L502	F460-Y494 WeakPolarHBondContact CE1-O 3.15Å; G480-Y494 WeakPolarHBondContact CA-O 3.48Å; T481-Y494 PolarHBondContact N-O 3.15Å; T481-Y494 PolarHBondContact O-N 3.21Å; V483-Y494 HydrophobicContact CB-CD2 3.95Å; V483-Y494 HydrophobicContact CB-CE2 3.93Å; V483-Y494 HydrophobicContact CG2-CD2 3.69Å; V483-Y494 HydrophobicContact CG2-CE2 4.13Å; N492-Y494 HydrophobicContact CB-CD2 4.08Å; N492-Y494 HydrophobicContact CB-CE2 3.26Å; N492-Y494 WeakPolarHBondContact CB-OH 3.42Å; N492-Y494 PolarHBondContact ND2-OH 3.47Å; Y494-L502 HydrophobicContact CD2-CD2 4.19Å; Y494-L502 HydrophobicContact CE1-CD2 4.49Å; Y494-L502 HydrophobicContact CE2-CD2 3.59Å
495	P	86.8	Confident	85.1	Confident	19 Å²	19	84.9 Å²	84.9	12%	0.123	44%	0.441	C	S	.	.			trans	-55.3	145.8	158.9	-22.7	34.2	0	0	0	110.6	F460 N497 E498 A499	F460-P495 HydrophobicContact CB-CG 4.36Å; F460-P495 HydrophobicContact CD1-CG 4.08Å; F460-P495 HydrophobicContact CD2-CB 4.46Å; F460-P495 HydrophobicContact CD2-CG 3.66Å; F460-P495 HydrophobicContact CE1-CG 4.27Å; F460-P495 HydrophobicContact CE2-CB 4.2Å; F460-P495 HydrophobicContact CE2-CG 3.86Å; F460-P495 HydrophobicContact CG-CG 3.79Å; F460-P495 HydrophobicContact CZ-CB 4.38Å; F460-P495 HydrophobicContact CZ-CG 4.15Å; P495-N497 VanDerWaalsContact C-N 3.26Å; P495-N497 PolarHBondContact O-N 3.39Å; P495-E498 HydrophobicContact CB-CB 4.36Å; P495-E498 HydrophobicContact CB-CG 4.23Å; P495-E498 VanDerWaalsContact CD-OE2 3.3Å; P495-E498 WeakPolarHBondContact CD-OE2 3.3Å; P495-E498 HydrophobicContact CG-CB 4.42Å; P495-E498 HydrophobicContact CG-CG 4.1Å; P495-E498 WeakPolarHBondContact CG-OE1 3.41Å; P495-E498 PolarHBondContact O-N 3.46Å; P495-E498 VanDerWaalsContact O-N 3.16Å; P495-A499 PolarHBondContact O-N 3.23Å
496	P	82.8	Confident	85.2	Confident	67 Å²	67	90.6 Å²	90.6	44%	0.435	46%	0.463	S	S	.	.	H	α-helix	trans	-51.3	-42.6	-179.2	-29.8	35.9	0	0	0	114.1	A499 M500	P496-A499 PolarHBondContact O-N 2.88Å; P496-M500 WeakPolarHBondContact O-CG 3.48Å; P496-M500 PolarHBondContact O-N 3.26Å
497	N	84.3	Confident	85.1	Confident	102 Å²	102	87.4 Å²	87.4	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-66.4	-47.5	-178.9	-56.2	5.7	0	0	0	111.4	P495 A499 M500 D501	P495-N497 VanDerWaalsContact C-N 3.26Å; P495-N497 PolarHBondContact O-N 3.39Å; N497-A499 VanDerWaalsContact C-N 3.27Å; N497-A499 PolarHBondContact O-N 3.28Å; N497-M500 PolarHBondContact O-N 3.17Å; N497-M500 VanDerWaalsContact O-N 3.16Å; N497-D501 PolarHBondContact O-N 2.76Å
498	E	87.7	Confident	85.1	Confident	82 Å²	82	90.3 Å²	90.3	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-36.3	176.8	-67.1	178.5	-155.8	0	0	111.4	R463 P495 D501 L502	R463-E498 IonicContact NH2-OE1 3.97Å; P495-E498 HydrophobicContact CB-CB 4.36Å; P495-E498 HydrophobicContact CB-CG 4.23Å; P495-E498 VanDerWaalsContact CD-OE2 3.3Å; P495-E498 WeakPolarHBondContact CD-OE2 3.3Å; P495-E498 HydrophobicContact CG-CB 4.42Å; P495-E498 HydrophobicContact CG-CG 4.1Å; P495-E498 WeakPolarHBondContact CG-OE1 3.41Å; P495-E498 PolarHBondContact O-N 3.46Å; P495-E498 VanDerWaalsContact O-N 3.16Å; E498-D501 PolarHBondContact O-N 3.3Å; E498-L502 VanDerWaalsContact O-CB 3.26Å; E498-L502 WeakPolarHBondContact O-CB 3.47Å; E498-L502 PolarHBondContact O-N 2.8Å
499	A	87.6	Confident	85	Confident	3 Å²	3	92 Å²	92	3%	0.025	45%	0.45	C	S	.	.	H	α-helix	trans	-65.7	-41.3	175.1	0	0	0	0	0	112.1	T481 V483 P495 P496 N497 L502 L503	T481-A499 HydrophobicContact CG2-CB 3.61Å; V483-A499 HydrophobicContact CG2-CB 3.96Å; P495-A499 PolarHBondContact O-N 3.23Å; P496-A499 PolarHBondContact O-N 2.88Å; N497-A499 VanDerWaalsContact C-N 3.27Å; N497-A499 PolarHBondContact O-N 3.28Å; A499-L502 PolarHBondContact O-N 2.92Å; A499-L503 WeakPolarHBondContact O-CB 3.49Å; A499-L503 VanDerWaalsContact O-CG 3.3Å; A499-L503 WeakPolarHBondContact O-CG 3.42Å; A499-L503 PolarHBondContact O-N 2.95Å
500	M	88.3	Confident	85.3	Confident	44 Å²	44	88.3 Å²	88.3	22%	0.217	44%	0.435	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.6	-72.9	-166	-59.9	0	0	111.3	P496 N497 L502 L503 K504 L505 E507	P496-M500 WeakPolarHBondContact O-CG 3.48Å; P496-M500 PolarHBondContact O-N 3.26Å; N497-M500 PolarHBondContact O-N 3.17Å; N497-M500 VanDerWaalsContact O-N 3.16Å; M500-L502 PolarHBondContact O-N 3.28Å; M500-L503 CarbonylContact O-C 3.47Å; M500-L503 PolarHBondContact O-N 3.01Å; M500-K504 WeakPolarHBondContact O-CA 3.28Å; M500-K504 PolarHBondContact O-N 3.04Å; M500-L505 HydrophobicContact CB-CB 4.27Å; M500-L505 HydrophobicContact CG-CB 4.32Å; M500-L505 PolarHBondContact O-N 2.84Å; M500-E507 HydrophobicContact CE-CB 3.65Å; M500-E507 HydrophobicContact CE-CG 3.82Å; M500-E507 HydrophobicContact SD-CB 3.92Å; M500-E507 HydrophobicContact SD-CG 4.18Å
501	D	88.2	Confident	85.6	Confident	122 Å²	122	92.3 Å²	92.3	65%	0.652	45%	0.445	S	S	*	.	H	α-helix	trans	-60.8	-46.1	176.7	-68.5	-27.3	0	0	0	111.4	N497 E498 L503 K504	N497-D501 PolarHBondContact O-N 2.76Å; E498-D501 PolarHBondContact O-N 3.3Å; D501-L503 VanDerWaalsContact C-N 3.31Å; D501-L503 PolarHBondContact O-N 3.35Å; D501-K504 PolarHBondContact O-N 3.23Å; D501-K504 VanDerWaalsContact O-N 3.12Å
502	L	87.3	Confident	86	Confident	95 Å²	95	93.1 Å²	93.1	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-41.6	177.7	-176.8	69.8	0	0	0	111.9	V483 Y494 E498 A499 M500 K504	V483-L502 HydrophobicContact CG1-CD2 4.08Å; Y494-L502 HydrophobicContact CD2-CD2 4.19Å; Y494-L502 HydrophobicContact CE1-CD2 4.49Å; Y494-L502 HydrophobicContact CE2-CD2 3.59Å; E498-L502 VanDerWaalsContact O-CB 3.26Å; E498-L502 WeakPolarHBondContact O-CB 3.47Å; E498-L502 PolarHBondContact O-N 2.8Å; A499-L502 PolarHBondContact O-N 2.92Å; M500-L502 PolarHBondContact O-N 3.28Å; L502-K504 VanDerWaalsContact C-N 3.31Å
503	L	87.5	Confident	86.1	Confident	90 Å²	90	95.3 Å²	95.3	47%	0.471	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	1.3	179.8	-64.6	175	0	0	0	113.3	V483 A499 M500 D501 L505	V483-L503 HydrophobicContact CG1-CD2 4.09Å; V483-L503 HydrophobicContact CG2-CD1 4.28Å; A499-L503 WeakPolarHBondContact O-CB 3.49Å; A499-L503 VanDerWaalsContact O-CG 3.3Å; A499-L503 WeakPolarHBondContact O-CG 3.42Å; A499-L503 PolarHBondContact O-N 2.95Å; M500-L503 CarbonylContact O-C 3.47Å; M500-L503 PolarHBondContact O-N 3.01Å; D501-L503 VanDerWaalsContact C-N 3.31Å; D501-L503 PolarHBondContact O-N 3.35Å; L503-L505 HydrophobicContact CB-CD1 3.91Å; L503-L505 HydrophobicContact CB-CG 3.82Å; L503-L505 HydrophobicContact CD1-CD1 4.07Å; L503-L505 PolarHBondContact O-N 2.98Å
504	K	88.8	Confident	86.2	Confident	194 Å²	194	97.1 Å²	97.1	84%	0.843	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.3	-175.2	-56.2	179.7	-179.5	177.9	0	113.2	M500 D501 L502	M500-K504 WeakPolarHBondContact O-CA 3.28Å; M500-K504 PolarHBondContact O-N 3.04Å; D501-K504 PolarHBondContact O-N 3.23Å; D501-K504 VanDerWaalsContact O-N 3.12Å; L502-K504 VanDerWaalsContact C-N 3.31Å
505	L	88.7	Confident	86.3	Confident	103 Å²	103	100.1 Å²	100.1	54%	0.539	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-87.1	141.7	176	-63.3	175.2	0	0	0	109.9	M500 L503	M500-L505 HydrophobicContact CB-CB 4.27Å; M500-L505 HydrophobicContact CG-CB 4.32Å; M500-L505 PolarHBondContact O-N 2.84Å; L503-L505 HydrophobicContact CB-CD1 3.91Å; L503-L505 HydrophobicContact CB-CG 3.82Å; L503-L505 HydrophobicContact CD1-CD1 4.07Å; L503-L505 PolarHBondContact O-N 2.98Å
506	K	85	Confident	86.2	Confident	179 Å²	179	101.4 Å²	101.4	78%	0.778	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-91.2	134	171	-69.9	-174.4	178.5	-178.2	0	109.4	H508	K506-H508 PolarHBondContact O-CD2 2.98Å; K506-H508 VanDerWaalsContact O-CD2 3.24Å; K506-H508 PolarHBondContact O-N 3.2Å
507	E	79.5	Confident	86.1	Confident	104 Å²	104	103.8 Å²	103.8	49%	0.486	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-68.7	129.2	172.8	-166.5	-178.4	155.6	0	0	109.8	M500 Q509	M500-E507 HydrophobicContact CE-CB 3.65Å; M500-E507 HydrophobicContact CE-CG 3.82Å; M500-E507 HydrophobicContact SD-CB 3.92Å; M500-E507 HydrophobicContact SD-CG 4.18Å; E507-Q509 PolarHBondContact OE1-NE2 2.89Å
508	H	80.7	Confident	85.7	Confident	154 Å²	154	99.9 Å²	99.9	71%	0.713	49%	0.49	S	S	*	.			trans	-117.7	121.1	171.5	-66.9	-78.4	0	0	0	108.9	K506	K506-H508 PolarHBondContact O-CD2 2.98Å; K506-H508 VanDerWaalsContact O-CD2 3.24Å; K506-H508 PolarHBondContact O-N 3.2Å
509	Q	77.7	Confident	84.8	Confident	144 Å²	144	105.3 Å²	105.3	67%	0.673	51%	0.512	S	S	*	.			trans	-95.7	112.5	173.6	-67	-171.3	-3.7	0	0	109.2	E507	E507-Q509 PolarHBondContact OE1-NE2 2.89Å
510	L	83.7	Confident	83.7	Confident	100 Å²	100	106.9 Å²	106.9	52%	0.524	52%	0.523	S	S	.	.			trans	-92.8	110.5	174.1	-65.5	174.3	0	0	0	108.7	F512 N590 V591	L510-F512 HydrophobicContact CB-CE2 4.06Å; L510-N590 WeakPolarHBondContact O-CA 3.41Å; L510-V591 HydrophobicContact CB-CB 4.25Å; L510-V591 HydrophobicContact CB-CG1 4.37Å; L510-V591 PolarHBondContact O-N 3.11Å
511	R	86.6	Confident	82.6	Confident	160 Å²	160	110.8 Å²	110.8	60%	0.604	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.6	130	173.1	-168	179.6	-167.2	160	5.2	108.9	D588 W589	R511-D588 IonicContact NH2-OD2 2.77Å; R511-W589 CarbonylContact C-O 3.45Å; R511-W589 WeakPolarHBondContact CA-O 3.41Å
512	F	90	Very high	81.8	Confident	88 Å²	88	110.2 Å²	110.2	39%	0.386	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.4	174.5	-67.4	-85.7	0	0	0	109	L510 D588 W589 V591	L510-F512 HydrophobicContact CB-CE2 4.06Å; F512-D588 WeakPolarHBondContact O-CA 3.41Å; F512-W589 HydrophobicContact CB-CD2 3.88Å; F512-W589 HydrophobicContact CB-CE3 4.16Å; F512-W589 HydrophobicContact CB-CH2 3.97Å; F512-W589 HydrophobicContact CB-CZ2 3.64Å; F512-W589 HydrophobicContact CB-CZ3 4.21Å; F512-W589 HydrophobicContact CG-CZ2 4.33Å; F512-W589 PolarHBondContact N-O 3.28Å; F512-W589 PolarHBondContact O-N 3.16Å; F512-V591 HydrophobicContact CD2-CB 4.27Å; F512-V591 HydrophobicContact CE2-CB 3.72Å; F512-V591 HydrophobicContact CE2-CG2 3.69Å; F512-V591 HydrophobicContact CZ-CG2 4.47Å
513	T	91.9	Very high	81.3	Confident	76 Å²	76	109.6 Å²	109.6	47%	0.466	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.8	178	-55.3	0	0	0	0	108	V586 I587 D588	T513-V586 HydrophobicContact CG2-CG1 3.66Å; T513-I587 CarbonylContact C-O 3.46Å; T513-I587 VanDerWaalsContact CA-O 3.3Å; T513-I587 WeakPolarHBondContact CA-O 3.4Å; T513-D588 VanDerWaalsContact CB-OD1 3.24Å; T513-D588 WeakPolarHBondContact CB-OD1 3.41Å; T513-D588 WeakPolarHBondContact CG2-OD1 3.47Å; T513-D588 PolarHBondContact OG1-OD1 3.42Å
514	V	90.1	Very high	80.9	Confident	52 Å²	52	106.6 Å²	106.6	32%	0.315	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127	174	173.3	0	0	0	0	109	I516 V586 I587 W589 L601	V514-I516 HydrophobicContact CG1-CD1 4.19Å; V514-I516 HydrophobicContact CG1-CG1 3.78Å; V514-V586 WeakPolarHBondContact O-CA 3.32Å; V514-I587 PolarHBondContact N-O 2.72Å; V514-I587 PolarHBondContact O-N 3.01Å; V514-W589 HydrophobicContact CB-CH2 4.32Å; V514-W589 HydrophobicContact CB-CZ3 4.09Å; V514-W589 HydrophobicContact CG2-CH2 3.51Å; V514-W589 HydrophobicContact CG2-CZ3 3.74Å; V514-L601 HydrophobicContact CG1-CD2 4.44Å
515	N	89.3	Confident	80.5	Confident	124 Å²	124	103.6 Å²	103.6	66%	0.663	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	127	173.8	-59.9	-36.6	0	0	0	108.8	A585 V586	N515-A585 CarbonylContact C-O 3.53Å; N515-A585 WeakPolarHBondContact CA-O 3.4Å; N515-V586 WeakPolarHBondContact OD1-CG1 3.1Å; N515-V586 WeakPolarHBondContact OD1-CG2 3.29Å
516	I	84.8	Confident	80.2	Confident	47 Å²	47	103.2 Å²	103.2	24%	0.241	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.1	-179	-53	-178.1	0	0	0	107.8	V514 A585 I587 L601 M604	V514-I516 HydrophobicContact CG1-CD1 4.19Å; V514-I516 HydrophobicContact CG1-CG1 3.78Å; I516-A585 PolarHBondContact N-O 3.03Å; I516-A585 PolarHBondContact O-N 3.47Å; I516-I587 HydrophobicContact CD1-CD1 3.7Å; I516-L601 HydrophobicContact CD1-CD2 3.48Å; I516-L601 VanDerWaalsContact CD1-CD2 3.48Å; I516-M604 HydrophobicContact CD1-CE 4.33Å; I516-M604 HydrophobicContact CD1-SD 4.5Å
517	V	81.1	Confident	79.9	Confident	117 Å²	117	94.9 Å²	94.9	71%	0.709	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.5	169.6	-177.9	0	0	0	0	107.9
518	L	75.5	Confident	80.1	Confident	20 Å²	20	90.1 Å²	90.1	11%	0.105	46%	0.456	C	S	.	.			trans	-73.9	124.8	176.4	-58.7	178.5	0	0	0	109.1	I579 G583 A585 M604 L609	L518-I579 HydrophobicContact CD1-CG2 3.55Å; L518-G583 WeakPolarHBondContact CB-O 3.39Å; L518-G583 WeakPolarHBondContact CG-O 3.46Å; L518-G583 PolarHBondContact N-O 2.98Å; L518-A585 HydrophobicContact CD1-CB 4.14Å; L518-A585 HydrophobicContact CD2-CB 4.04Å; L518-A585 HydrophobicContact CG-CB 4.02Å; L518-M604 HydrophobicContact CD2-CE 3.67Å; L518-L609 WeakPolarHBondContact CA-OXT 3.22Å; L518-L609 WeakPolarHBondContact CB-OXT 3.41Å; L518-L609 HydrophobicContact CD1-CD2 4.02Å; L518-L609 HydrophobicContact CD2-CB 3.71Å; L518-L609 HydrophobicContact CD2-CD2 3.82Å; L518-L609 HydrophobicContact CD2-CG 4.25Å; L518-L609 HydrophobicContact CG-CD2 4.39Å
519	K	69.2	Low	80.2	Confident	196 Å²	196	89 Å²	89	85%	0.852	45%	0.451	S	S	*	.			trans	-87.1	-15.9	178.9	-69.3	-176.1	179	-179.4	0	113	L609	K519-L609 PolarHBondContact N-OXT 2.86Å
520	S	63.5	Low	80.4	Confident	35 Å²	35	83.8 Å²	83.8	25%	0.245	43%	0.432	C	S	.	.	S	Bend	trans	-78.6	152.9	-170.2	57.3	0	0	0	0	113.7	Y522 L609	S520-Y522 PolarHBondContact O-N 3.41Å; S520-Y522 VanDerWaalsContact OG-CD2 3.24Å; S520-Y522 WeakPolarHBondContact OG-CD2 3.43Å; S520-L609 PolarHBondContact N-OXT 3.49Å; S520-L609 VanDerWaalsContact N-OXT 3.16Å; S520-L609 WeakPolarHBondContact OG-CD2 3.41Å; S520-L609 PolarHBondContact OG-OXT 2.72Å
521	S	66.7	Low	80.4	Confident	126 Å²	126	79 Å²	79	88%	0.881	41%	0.407	S	S	*	.			trans	-83.3	18.9	176.9	57.5	0	0	0	0	113.6
522	Y	69.4	Low	80.3	Confident	111 Å²	111	73.4 Å²	73.4	44%	0.435	39%	0.388	S	S	.	.			trans	-69.2	139.1	-178.6	-70.9	-62.3	0	0	0	110.7	S520 E526 L609	S520-Y522 PolarHBondContact O-N 3.41Å; S520-Y522 VanDerWaalsContact OG-CD2 3.24Å; S520-Y522 WeakPolarHBondContact OG-CD2 3.43Å; Y522-E526 HydrophobicContact CD1-CB 3.79Å; Y522-E526 HydrophobicContact CG-CB 4.36Å; Y522-L609 HydrophobicContact CD2-CD2 3.95Å
523	T	77.6	Confident	80	Confident	81 Å²	81	73 Å²	73	50%	0.497	40%	0.395	S	S	.	.			trans	-65.7	155.6	160.6	62.2	0	0	0	0	109.6	Q525 E526 A527	T523-Q525 PolarHBondContact O-N 3.43Å; T523-Q525 VanDerWaalsContact O-N 3.14Å; T523-E526 PolarHBondContact N-OE2 3.33Å; T523-E526 PolarHBondContact O-N 2.95Å; T523-E526 VanDerWaalsContact OG1-CG 3.22Å; T523-E526 WeakPolarHBondContact OG1-CG 3.14Å; T523-E526 PolarHBondContact OG1-OE2 2.92Å; T523-A527 PolarHBondContact O-N 2.85Å
524	L	79.8	Confident	79.5	Confident	28 Å²	28	70 Å²	70	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-50.7	-42.2	-179.2	177.6	64.7	0	0	0	112.8	L528 I579 R581	L524-L528 HydrophobicContact CD1-CD1 4.33Å; L524-L528 HydrophobicContact CG-CD1 4.2Å; L524-L528 VanDerWaalsContact O-CG 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.24Å; L524-L528 PolarHBondContact O-N 3.43Å; L524-L528 VanDerWaalsContact O-N 3.12Å; L524-I579 HydrophobicContact CD1-CB 3.97Å; L524-I579 HydrophobicContact CD1-CG2 3.75Å; L524-I579 VanDerWaalsContact CD1-O 3.31Å; L524-I579 WeakPolarHBondContact CD1-O 3.41Å; L524-R581 HydrophobicContact CB-CG 4.47Å; L524-R581 HydrophobicContact CD2-CG 4.18Å
525	Q	80	Confident	79.1	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-67.2	-41	178.4	-87.4	-176.8	-21.4	0	0	113	T523 L528 Q529	T523-Q525 PolarHBondContact O-N 3.43Å; T523-Q525 VanDerWaalsContact O-N 3.14Å; Q525-L528 PolarHBondContact O-N 3.13Å; Q525-Q529 WeakPolarHBondContact O-CB 3.26Å; Q525-Q529 WeakPolarHBondContact O-CG 3.36Å; Q525-Q529 PolarHBondContact O-N 2.97Å
526	E	81.3	Confident	78.6	Confident	94 Å²	94	66 Å²	66	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-43.7	177.8	-70.8	166	151.9	0	0	111.2	Y522 T523 L528 Q529 A530	Y522-E526 HydrophobicContact CD1-CB 3.79Å; Y522-E526 HydrophobicContact CG-CB 4.36Å; T523-E526 PolarHBondContact N-OE2 3.33Å; T523-E526 PolarHBondContact O-N 2.95Å; T523-E526 VanDerWaalsContact OG1-CG 3.22Å; T523-E526 WeakPolarHBondContact OG1-CG 3.14Å; T523-E526 PolarHBondContact OG1-OE2 2.92Å; E526-L528 PolarHBondContact O-N 3.48Å; E526-Q529 PolarHBondContact O-N 2.6Å; E526-A530 WeakPolarHBondContact O-CB 3.36Å; E526-A530 PolarHBondContact O-N 3.42Å
527	A	79.3	Confident	78.3	Confident	4 Å²	4	70.2 Å²	70.2	3%	0.033	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-46.1	177.5	0	0	0	0	0	111.4	T523 L531 I579 L609	T523-A527 PolarHBondContact O-N 2.85Å; A527-L531 VanDerWaalsContact O-CB 3.26Å; A527-L531 WeakPolarHBondContact O-CB 3.42Å; A527-L531 PolarHBondContact O-N 3Å; A527-I579 HydrophobicContact CB-CD1 4.38Å; A527-L609 HydrophobicContact CB-CD2 3.97Å
528	L	83.3	Confident	77.9	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-49.8	177.5	-73.2	166.8	0	0	0	112.4	L524 Q525 E526 A530 L531 E532 I569 I579	L524-L528 HydrophobicContact CD1-CD1 4.33Å; L524-L528 HydrophobicContact CG-CD1 4.2Å; L524-L528 VanDerWaalsContact O-CG 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.24Å; L524-L528 PolarHBondContact O-N 3.43Å; L524-L528 VanDerWaalsContact O-N 3.12Å; Q525-L528 PolarHBondContact O-N 3.13Å; E526-L528 PolarHBondContact O-N 3.48Å; L528-A530 VanDerWaalsContact C-N 3.33Å; L528-A530 PolarHBondContact O-N 3.07Å; L528-L531 PolarHBondContact O-N 2.87Å; L528-E532 WeakPolarHBondContact O-CB 3.22Å; L528-E532 PolarHBondContact O-N 2.8Å; L528-I569 HydrophobicContact CD2-CD1 4.03Å; L528-I569 HydrophobicContact CD2-CG1 3.75Å; L528-I569 WeakPolarHBondContact O-CD1 3.33Å; L528-I579 HydrophobicContact CD2-CD1 4.11Å
529	Q	83	Confident	77.5	Confident	130 Å²	130	67.4 Å²	67.4	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-42.1	-178.7	-77	-177.6	-3.1	0	0	111.8	Q525 E526 E532 S533	Q525-Q529 WeakPolarHBondContact O-CB 3.26Å; Q525-Q529 WeakPolarHBondContact O-CG 3.36Å; Q525-Q529 PolarHBondContact O-N 2.97Å; E526-Q529 PolarHBondContact O-N 2.6Å; Q529-E532 PolarHBondContact O-N 3.47Å; Q529-S533 VanDerWaalsContact O-CB 3.3Å; Q529-S533 WeakPolarHBondContact O-CB 3.47Å; Q529-S533 PolarHBondContact O-N 2.77Å
530	A	82.4	Confident	77.1	Confident	34 Å²	34	62.8 Å²	62.8	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-68.4	-38.8	-179.8	0	0	0	0	0	111	E526 L528 S533 A534 M607	E526-A530 WeakPolarHBondContact O-CB 3.36Å; E526-A530 PolarHBondContact O-N 3.42Å; L528-A530 VanDerWaalsContact C-N 3.33Å; L528-A530 PolarHBondContact O-N 3.07Å; A530-S533 PolarHBondContact O-N 3.29Å; A530-A534 WeakPolarHBondContact O-CB 3.22Å; A530-A534 PolarHBondContact O-N 2.93Å; A530-M607 HydrophobicContact CB-CE 3.21Å
531	L	83.7	Confident	76.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-44.3	175.8	-177.5	58.8	0	0	0	111.5	A527 L528 S533 A534 I535 I569 V577 I579 C603 M604 M607 L609	A527-L531 VanDerWaalsContact O-CB 3.26Å; A527-L531 WeakPolarHBondContact O-CB 3.42Å; A527-L531 PolarHBondContact O-N 3Å; L528-L531 PolarHBondContact O-N 2.87Å; L531-S533 VanDerWaalsContact C-N 3.31Å; L531-S533 PolarHBondContact O-N 3.02Å; L531-A534 PolarHBondContact O-N 2.95Å; L531-I535 HydrophobicContact CD1-CD1 3.94Å; L531-I535 HydrophobicContact CD1-CG1 4.12Å; L531-I535 HydrophobicContact CD2-CD1 4.49Å; L531-I535 HydrophobicContact CG-CD1 3.78Å; L531-I535 HydrophobicContact CG-CG1 4.39Å; L531-I535 WeakPolarHBondContact O-CB 3.36Å; L531-I535 VanDerWaalsContact O-CG1 3.22Å; L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.18Å; L531-I569 HydrophobicContact CB-CD1 3.96Å; L531-I569 HydrophobicContact CD2-CD1 3.94Å; L531-I569 HydrophobicContact CG-CD1 3.93Å; L531-V577 HydrophobicContact CD2-CB 4.36Å; L531-V577 HydrophobicContact CD2-CG1 3.82Å; L531-I579 HydrophobicContact CD2-CD1 4.11Å; L531-C603 HydrophobicContact CD1-CB 4.1Å; L531-M604 HydrophobicContact CD1-CG 3.62Å; L531-M604 HydrophobicContact CD2-CG 4.21Å; L531-M604 HydrophobicContact CD2-SD 4.31Å; L531-M607 HydrophobicContact CB-CE 4.42Å; L531-M607 HydrophobicContact CB-SD 4.34Å; L531-M607 HydrophobicContact CD1-SD 4.22Å; L531-L609 HydrophobicContact CB-CD1 4.42Å
532	E	84.1	Confident	76.4	Confident	42 Å²	42	66.9 Å²	66.9	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-45.7	174.9	-175.3	-177.3	175.8	0	0	111.3	L528 Q529 I535 K536 V558 I569	L528-E532 WeakPolarHBondContact O-CB 3.22Å; L528-E532 PolarHBondContact O-N 2.8Å; Q529-E532 PolarHBondContact O-N 3.47Å; E532-I535 PolarHBondContact O-N 2.81Å; E532-K536 HydrophobicContact CG-CD 4.29Å; E532-K536 WeakPolarHBondContact O-CB 3.42Å; E532-K536 WeakPolarHBondContact O-CG 3.19Å; E532-K536 PolarHBondContact O-N 2.83Å; E532-K536 WeakPolarHBondContact OE1-CE 3.49Å; E532-K536 IonicContact OE1-NZ 3.03Å; E532-K536 PolarHBondContact OE1-NZ 3.45Å; E532-V558 HydrophobicContact CG-CG1 4.07Å; E532-I569 HydrophobicContact CB-CD1 4.17Å
533	S	83.7	Confident	75.5	Confident	79 Å²	79	66.7 Å²	66.7	55%	0.552	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-44.2	177.9	-172.1	0	0	0	0	112	Q529 A530 L531 K536 K537	Q529-S533 VanDerWaalsContact O-CB 3.3Å; Q529-S533 WeakPolarHBondContact O-CB 3.47Å; Q529-S533 PolarHBondContact O-N 2.77Å; A530-S533 PolarHBondContact O-N 3.29Å; L531-S533 VanDerWaalsContact C-N 3.31Å; L531-S533 PolarHBondContact O-N 3.02Å; S533-K536 PolarHBondContact O-N 2.9Å; S533-K537 VanDerWaalsContact O-CB 3.31Å; S533-K537 WeakPolarHBondContact O-CB 3.21Å; S533-K537 PolarHBondContact O-N 2.98Å
534	A	82.7	Confident	74.1	Confident	15 Å²	15	65.4 Å²	65.4	12%	0.124	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-47.7	176.6	0	0	0	0	0	111.7	A530 L531 K536 K537 Y538 C603 M607	A530-A534 WeakPolarHBondContact O-CB 3.22Å; A530-A534 PolarHBondContact O-N 2.93Å; L531-A534 PolarHBondContact O-N 2.95Å; A534-K536 PolarHBondContact O-N 3.03Å; A534-K537 PolarHBondContact O-N 2.81Å; A534-Y538 WeakPolarHBondContact O-CB 3.46Å; A534-Y538 WeakPolarHBondContact O-CD2 3.41Å; A534-Y538 PolarHBondContact O-N 3.41Å; A534-C603 HydrophobicContact CB-CB 4.05Å; A534-M607 HydrophobicContact CB-SD 3.76Å
535	I	81.7	Confident	72	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-49.5	177.5	-69.5	168.4	0	0	0	110.4	L531 E532 K537 Y538 I539 V558 I569 V571 I600	L531-I535 HydrophobicContact CD1-CD1 3.94Å; L531-I535 HydrophobicContact CD1-CG1 4.12Å; L531-I535 HydrophobicContact CD2-CD1 4.49Å; L531-I535 HydrophobicContact CG-CD1 3.78Å; L531-I535 HydrophobicContact CG-CG1 4.39Å; L531-I535 WeakPolarHBondContact O-CB 3.36Å; L531-I535 VanDerWaalsContact O-CG1 3.22Å; L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.18Å; E532-I535 PolarHBondContact O-N 2.81Å; I535-K537 VanDerWaalsContact C-N 3.32Å; I535-K537 PolarHBondContact O-N 3.13Å; I535-Y538 PolarHBondContact O-N 3.23Å; I535-I539 HydrophobicContact CG2-CD1 3.49Å; I535-I539 VanDerWaalsContact CG2-CD1 3.49Å; I535-I539 HydrophobicContact CG2-CG1 4.24Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 3.11Å; I535-V558 HydrophobicContact CG2-CG2 3.93Å; I535-I569 HydrophobicContact CD1-CG2 4.24Å; I535-V571 HydrophobicContact CD1-CG2 4.14Å; I535-V571 HydrophobicContact CG2-CG2 4.03Å; I535-I600 HydrophobicContact CD1-CG1 3.97Å; I535-I600 HydrophobicContact CG1-CG1 4.17Å
536	K	79.1	Confident	70	Confident	91 Å²	91	66.7 Å²	66.7	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-42.7	178.6	-75.7	179.1	-175.8	173.3	0	111.7	E532 S533 A534 F540 V558	E532-K536 HydrophobicContact CG-CD 4.29Å; E532-K536 WeakPolarHBondContact O-CB 3.42Å; E532-K536 WeakPolarHBondContact O-CG 3.19Å; E532-K536 PolarHBondContact O-N 2.83Å; E532-K536 WeakPolarHBondContact OE1-CE 3.49Å; E532-K536 IonicContact OE1-NZ 3.03Å; E532-K536 PolarHBondContact OE1-NZ 3.45Å; S533-K536 PolarHBondContact O-N 2.9Å; A534-K536 PolarHBondContact O-N 3.03Å; K536-F540 WeakPolarHBondContact O-CB 3.37Å; K536-F540 PolarHBondContact O-N 2.78Å; K536-V558 HydrophobicContact CG-CG2 4.3Å
537	K	77	Confident	68.1	Low	136 Å²	136	68.9 Å²	68.9	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-41.9	178.3	-177.3	-178.8	179.7	-177.8	0	112.5	S533 A534 I535	S533-K537 VanDerWaalsContact O-CB 3.31Å; S533-K537 WeakPolarHBondContact O-CB 3.21Å; S533-K537 PolarHBondContact O-N 2.98Å; A534-K537 PolarHBondContact O-N 2.81Å; I535-K537 VanDerWaalsContact C-N 3.32Å; I535-K537 PolarHBondContact O-N 3.13Å
538	Y	72.1	Confident	66.6	Low	67 Å²	67	79.4 Å²	79.4	26%	0.263	38%	0.378	S	S	.	.	H	α-helix	trans	-77	-44.1	-177.1	-89.8	-69.6	0	0	0	113	A534 I535 F540 K541 C603 E606	A534-Y538 WeakPolarHBondContact O-CB 3.46Å; A534-Y538 WeakPolarHBondContact O-CD2 3.41Å; A534-Y538 PolarHBondContact O-N 3.41Å; I535-Y538 PolarHBondContact O-N 3.23Å; Y538-F540 PolarHBondContact O-N 2.9Å; Y538-K541 PolarHBondContact O-N 2.88Å; Y538-K541 VanDerWaalsContact O-N 3.13Å; Y538-C603 WeakPolarHBondContact CD2-SG 3.42Å; Y538-E606 WeakPolarHBondContact CE2-OE2 3.45Å; Y538-E606 VanDerWaalsContact OH-CD 3.22Å; Y538-E606 PolarHBondContact OH-OE1 2.86Å; Y538-E606 PolarHBondContact OH-OE2 2.72Å
539	I	68.2	Low	64.6	Low	10 Å²	10	90 Å²	90	5%	0.051	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-33.5	178.8	-61.2	172.5	0	0	0	110.9	I535 K541 W542 P556 V571 L599	I535-I539 HydrophobicContact CG2-CD1 3.49Å; I535-I539 VanDerWaalsContact CG2-CD1 3.49Å; I535-I539 HydrophobicContact CG2-CG1 4.24Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 3.11Å; I539-K541 PolarHBondContact O-N 3.02Å; I539-K541 VanDerWaalsContact O-N 3.15Å; I539-W542 WeakPolarHBondContact O-CB 3.24Å; I539-W542 PolarHBondContact O-N 2.82Å; I539-P556 HydrophobicContact CB-CB 4.09Å; I539-P556 HydrophobicContact CB-CG 3.93Å; I539-P556 HydrophobicContact CD1-CB 3.73Å; I539-P556 HydrophobicContact CD1-CG 4.37Å; I539-P556 HydrophobicContact CG2-CB 3.67Å; I539-P556 HydrophobicContact CG2-CG 3.69Å; I539-V571 HydrophobicContact CD1-CG1 3.9Å; I539-L599 HydrophobicContact CD1-CD2 4.25Å; I539-L599 HydrophobicContact CG1-CD2 3.45Å; I539-L599 VanDerWaalsContact CG1-CD2 3.45Å
540	F	61	Low	62.4	Low	100 Å²	100	89.3 Å²	89.3	44%	0.439	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.8	177	-118.2	-87.8	0	0	0	114.8	K536 Y538	K536-F540 WeakPolarHBondContact O-CB 3.37Å; K536-F540 PolarHBondContact O-N 2.78Å; Y538-F540 PolarHBondContact O-N 2.9Å
541	K	59.8	Low	60.4	Low	141 Å²	141	93.4 Å²	93.4	61%	0.613	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.7	176.3	-69.5	-173.4	177	-174.3	0	113.1	Y538 I539 F543	Y538-K541 PolarHBondContact O-N 2.88Å; Y538-K541 VanDerWaalsContact O-N 3.13Å; I539-K541 PolarHBondContact O-N 3.02Å; I539-K541 VanDerWaalsContact O-N 3.15Å; K541-F543 WeakPolarHBondContact O-CD2 3.47Å; K541-F543 PolarHBondContact O-N 3.2Å
542	W	55.1	Low	58.3	Low	105 Å²	105	96.5 Å²	96.5	40%	0.398	44%	0.441	S	S	.	.			trans	-84.1	112.7	-174.3	-134.4	41.9	0	0	0	110.2	I539 I554 D595	I539-W542 WeakPolarHBondContact O-CB 3.24Å; I539-W542 PolarHBondContact O-N 2.82Å; W542-I554 HydrophobicContact CE3-CD1 4.42Å; W542-D595 HydrophobicContact CH2-CB 3.49Å; W542-D595 VanDerWaalsContact CH2-CB 3.49Å; W542-D595 HydrophobicContact CZ2-CB 4.03Å
543	F	51.1	Low	56.5	Low	107 Å²	107	102.7 Å²	102.7	47%	0.469	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.3	173.4	-64.3	-82.3	0	0	0	109.1	K541 H551 F552 R553	K541-F543 WeakPolarHBondContact O-CD2 3.47Å; K541-F543 PolarHBondContact O-N 3.2Å; F543-H551 HydrophobicContact CB-CB 4.4Å; F543-H551 HydrophobicContact CD1-CB 3.8Å; F543-H551 HydrophobicContact CE1-CB 4.46Å; F543-H551 HydrophobicContact CG-CB 4.36Å; F543-F552 WeakPolarHBondContact CA-O 3.34Å; F543-R553 HydrophobicContact CE1-CG 4.36Å
544	V	48.3	Very low	54.8	Low	55 Å²	55	102 Å²	102	33%	0.333	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.6	165.9	-174.3	0	0	0	0	107.6	I546 F552 I554	V544-I546 HydrophobicContact CG1-CD1 4.33Å; V544-I546 HydrophobicContact CG1-CG1 3.92Å; V544-F552 HydrophobicContact CB-CB 4.46Å; V544-F552 PolarHBondContact N-O 3.17Å; V544-F552 PolarHBondContact O-N 3.25Å; V544-F552 VanDerWaalsContact O-N 3.09Å; V544-I554 HydrophobicContact CG2-CD1 3.58Å; V544-I554 HydrophobicContact CG2-CG1 4.16Å
545	L	36.3	Very low	53.5	Low	100 Å²	100	109.6 Å²	109.6	52%	0.524	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.5	170.3	-92.5	156.8	0	0	0	108.5
546	I	37.8	Very low	52.5	Low	86 Å²	86	110.8 Å²	110.8	44%	0.441	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116	165.8	-55.6	-178	0	0	0	106.8	V544 Q550 F552	V544-I546 HydrophobicContact CG1-CD1 4.33Å; V544-I546 HydrophobicContact CG1-CG1 3.92Å; I546-Q550 PolarHBondContact N-O 3.07Å; I546-F552 HydrophobicContact CB-CE2 4.18Å; I546-F552 HydrophobicContact CD1-CD2 4.42Å; I546-F552 HydrophobicContact CD1-CE2 4.28Å; I546-F552 HydrophobicContact CG1-CD2 4.4Å; I546-F552 HydrophobicContact CG1-CE2 4.32Å
547	N	41.3	Very low	52.1	Low	140 Å²	140	110.7 Å²	110.7	75%	0.749	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	59.8	179	-67.1	-24.4	0	0	0	115.3	R549	N547-R549 PolarHBondContact O-N 3.08Å
548	Y	48.1	Very low	52.1	Low	224 Å²	224	105.2 Å²	105.2	88%	0.878	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	4.7	164.9	-66.1	-77.6	0	0	0	119
549	R	40.3	Very low	52.4	Low	228 Å²	228	106.9 Å²	106.9	86%	0.86	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	-14.4	-173.8	-70.9	-171.6	176	-175.3	-1.9	113.7	N547	N547-R549 PolarHBondContact O-N 3.08Å
550	Q	36.3	Very low	52.9	Low	116 Å²	116	108.7 Å²	108.7	54%	0.542	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.8	-178	-64.8	-173	-10.8	0	0	111.2	I546 F552	I546-Q550 PolarHBondContact N-O 3.07Å; Q550-F552 HydrophobicContact CB-CE2 3.91Å; Q550-F552 HydrophobicContact CB-CZ 4.26Å
551	H	40	Very low	53.7	Low	120 Å²	120	110.8 Å²	110.8	56%	0.556	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.4	177.7	-63.9	87.5	0	0	0	108.8	F543	F543-H551 HydrophobicContact CB-CB 4.4Å; F543-H551 HydrophobicContact CD1-CB 3.8Å; F543-H551 HydrophobicContact CE1-CB 4.46Å; F543-H551 HydrophobicContact CG-CB 4.36Å
552	F	39.6	Very low	54.6	Low	65 Å²	65	107.6 Å²	107.6	29%	0.285	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.4	173.8	-62	-88.2	0	0	0	110.2	F543 V544 I546 Q550	F543-F552 WeakPolarHBondContact CA-O 3.34Å; V544-F552 HydrophobicContact CB-CB 4.46Å; V544-F552 PolarHBondContact N-O 3.17Å; V544-F552 PolarHBondContact O-N 3.25Å; V544-F552 VanDerWaalsContact O-N 3.09Å; I546-F552 HydrophobicContact CB-CE2 4.18Å; I546-F552 HydrophobicContact CD1-CD2 4.42Å; I546-F552 HydrophobicContact CD1-CE2 4.28Å; I546-F552 HydrophobicContact CG1-CD2 4.4Å; I546-F552 HydrophobicContact CG1-CE2 4.32Å; Q550-F552 HydrophobicContact CB-CE2 3.91Å; Q550-F552 HydrophobicContact CB-CZ 4.26Å
553	R	46.4	Very low	55.5	Low	172 Å²	172	106.9 Å²	106.9	65%	0.649	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.8	176.5	-141.4	177.8	-166.7	171.7	4	108.7	F543	F543-R553 HydrophobicContact CE1-CG 4.36Å
554	I	49.4	Very low	56.4	Low	63 Å²	63	109.4 Å²	109.4	32%	0.323	52%	0.521	S	S	.	.			trans	-90	129.3	176.5	-60.2	176.7	0	0	0	108.4	W542 V544 P556	W542-I554 HydrophobicContact CE3-CD1 4.42Å; V544-I554 HydrophobicContact CG2-CD1 3.58Å; V544-I554 HydrophobicContact CG2-CG1 4.16Å; I554-P556 WeakPolarHBondContact O-CD 3.37Å
555	Q	55.5	Low	57.6	Low	176 Å²	176	110.8 Å²	110.8	82%	0.822	53%	0.53	S	S	*	.			trans	-92	110	171.6	-146.7	173.5	8.7	0	0	108
556	P	60.8	Low	59.8	Low	25 Å²	25	108.7 Å²	108.7	16%	0.162	52%	0.521	C	S	.	.			trans	-74.3	142	-177.4	27	-31.4	0	0	0	111.7	I539 I554 V558	I539-P556 HydrophobicContact CB-CB 4.09Å; I539-P556 HydrophobicContact CB-CG 3.93Å; I539-P556 HydrophobicContact CD1-CB 3.73Å; I539-P556 HydrophobicContact CD1-CG 4.37Å; I539-P556 HydrophobicContact CG2-CB 3.67Å; I539-P556 HydrophobicContact CG2-CG 3.69Å; I554-P556 WeakPolarHBondContact O-CD 3.37Å; P556-V558 HydrophobicContact CB-CG2 4.16Å
557	N	69.3	Low	62.1	Low	89 Å²	89	104.6 Å²	104.6	48%	0.476	50%	0.501	S	S	.	.			trans	-99.2	102.5	165.5	-173.8	10.2	0	0	0	108.4	N572	N557-N572 PolarHBondContact N-OD1 3.48Å; N557-N572 VanDerWaalsContact N-OD1 3.08Å; N557-N572 PolarHBondContact O-N 3.02Å
558	V	76.5	Confident	64.3	Low	20 Å²	20	99.2 Å²	99.2	12%	0.121	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	177.5	-175	0	0	0	0	107.9	E532 I535 K536 P556 I569 V571	E532-V558 HydrophobicContact CG-CG1 4.07Å; I535-V558 HydrophobicContact CG2-CG2 3.93Å; K536-V558 HydrophobicContact CG-CG2 4.3Å; P556-V558 HydrophobicContact CB-CG2 4.16Å; V558-I569 HydrophobicContact CG1-CG2 3.61Å; V558-V571 HydrophobicContact CG1-CG2 4.43Å; V558-V571 HydrophobicContact CG2-CG1 4.48Å; V558-V571 HydrophobicContact CG2-CG2 4.42Å
559	Q	79	Confident	66.2	Low	102 Å²	102	88.6 Å²	88.6	48%	0.477	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.3	177.9	-65.1	-178.7	-16.1	0	0	108.8	I569 V570	Q559-I569 CarbonylContact O-C 3.56Å; Q559-I569 WeakPolarHBondContact O-CA 3.49Å; Q559-V570 PolarHBondContact N-O 3.14Å; Q559-V570 PolarHBondContact O-N 3.03Å
560	C	78.6	Confident	68.3	Low	48 Å²	48	79.4 Å²	79.4	32%	0.324	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.4	178.8	-168.2	0	0	0	0	109.2	C568 I569	C560-C568 WeakPolarHBondContact CA-O 3.38Å; C560-I569 HydrophobicContact CB-CG1 4.46Å
561	Q	79.3	Confident	70.3	Confident	145 Å²	145	73.9 Å²	73.9	68%	0.678	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	140	174.8	-67.1	-178.5	-5.6	0	0	108.4	G567 C568	Q561-G567 CarbonylContact O-C 3.59Å; Q561-C568 PolarHBondContact N-O 2.98Å; Q561-C568 PolarHBondContact O-N 2.85Å
562	S	77.4	Confident	71.9	Confident	73 Å²	73	70.9 Å²	70.9	51%	0.51	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.8	176.9	59.7	0	0	0	0	110.4	T566	S562-T566 WeakPolarHBondContact CA-O 3.44Å
563	D	74.6	Confident	73.5	Confident	91 Å²	91	70.2 Å²	70.2	49%	0.487	38%	0.375	S	S	.	.			trans	-107.6	-174.6	165.4	64.6	45.5	0	0	0	110.4	T565 T566	D563-T565 PolarHBondContact O-N 2.76Å; D563-T565 WeakPolarHBondContact OD1-CA 3.49Å; D563-T565 PolarHBondContact OD1-N 2.77Å; D563-T565 PolarHBondContact OD1-OG1 2.89Å; D563-T566 PolarHBondContact N-O 3.46Å; D563-T566 PolarHBondContact OD1-N 3.12Å; D563-T566 PolarHBondContact OD1-OG1 3.47Å; D563-T566 PolarHBondContact OD2-OG1 3.45Å
564	E	69.5	Low	74.9	Confident	160 Å²	160	66 Å²	66	75%	0.748	37%	0.365	S	S	*	.	S	Bend	trans	-60.2	-28.9	-179.4	-68.9	-169.9	175.1	0	0	112.4	R581	E564-R581 PolarHBondContact O-NE 3.23Å; E564-R581 PolarHBondContact O-NH2 2.79Å
565	T	74.6	Confident	76.5	Confident	83 Å²	83	63 Å²	63	51%	0.509	35%	0.35	S	S	.	.	S	Bend	trans	-109	-27.1	-170	55	0	0	0	0	114.5	D563 R581	D563-T565 PolarHBondContact O-N 2.76Å; D563-T565 WeakPolarHBondContact OD1-CA 3.49Å; D563-T565 PolarHBondContact OD1-N 2.77Å; D563-T565 PolarHBondContact OD1-OG1 2.89Å; T565-R581 PolarHBondContact O-N 3.23Å
566	T	82.6	Confident	78.1	Confident	56 Å²	56	55.5 Å²	55.5	34%	0.344	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.2	-170.1	69.2	0	0	0	0	112.3	S562 D563 I579	S562-T566 WeakPolarHBondContact CA-O 3.44Å; D563-T566 PolarHBondContact N-O 3.46Å; D563-T566 PolarHBondContact OD1-N 3.12Å; D563-T566 PolarHBondContact OD1-OG1 3.47Å; D563-T566 PolarHBondContact OD2-OG1 3.45Å; T566-I579 CarbonylContact C-O 3.52Å; T566-I579 WeakPolarHBondContact CA-O 3.46Å
567	G	84.8	Confident	79.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.9	172.7	0	0	0	0	0	110.8	Q561 K578 I579	Q561-G567 CarbonylContact O-C 3.59Å; G567-K578 CarbonylContact O-C 3.56Å; G567-K578 VanDerWaalsContact O-CA 3.23Å; G567-K578 WeakPolarHBondContact O-CA 2.95Å; G567-I579 PolarHBondContact N-O 3.17Å; G567-I579 PolarHBondContact O-N 3.16Å
568	C	88.8	Confident	80.3	Confident	27 Å²	27	55.3 Å²	55.3	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.6	-179.9	-170.9	0	0	0	0	110.6	C560 Q561 V577 K578	C560-C568 WeakPolarHBondContact CA-O 3.38Å; Q561-C568 PolarHBondContact N-O 2.98Å; Q561-C568 PolarHBondContact O-N 2.85Å; C568-V577 CarbonylContact C-O 3.53Å; C568-V577 VanDerWaalsContact CA-O 3.27Å; C568-V577 WeakPolarHBondContact CA-O 3.22Å; C568-K578 HydrophobicContact CB-CG 4.31Å
569	I	86.4	Confident	80.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.5	169.7	-58.8	-178.8	0	0	0	108.4	L528 L531 E532 I535 V558 Q559 C560 V571 S576 V577	L528-I569 HydrophobicContact CD2-CD1 4.03Å; L528-I569 HydrophobicContact CD2-CG1 3.75Å; L528-I569 WeakPolarHBondContact O-CD1 3.33Å; L531-I569 HydrophobicContact CB-CD1 3.96Å; L531-I569 HydrophobicContact CD2-CD1 3.94Å; L531-I569 HydrophobicContact CG-CD1 3.93Å; E532-I569 HydrophobicContact CB-CD1 4.17Å; I535-I569 HydrophobicContact CD1-CG2 4.24Å; V558-I569 HydrophobicContact CG1-CG2 3.61Å; Q559-I569 CarbonylContact O-C 3.56Å; Q559-I569 WeakPolarHBondContact O-CA 3.49Å; C560-I569 HydrophobicContact CB-CG1 4.46Å; I569-V571 HydrophobicContact CG2-CG2 4.18Å; I569-S576 CarbonylContact O-C 3.44Å; I569-S576 WeakPolarHBondContact O-CA 3.38Å; I569-V577 HydrophobicContact CB-CB 4.45Å; I569-V577 PolarHBondContact N-O 3.36Å; I569-V577 PolarHBondContact O-N 2.92Å
570	V	84.8	Confident	81	Confident	36 Å²	36	50.4 Å²	50.4	22%	0.218	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.7	174.8	-174	0	0	0	0	109.3	Q559 V575	Q559-V570 PolarHBondContact N-O 3.14Å; Q559-V570 PolarHBondContact O-N 3.03Å; V570-V575 CarbonylContact C-O 3.49Å; V570-V575 WeakPolarHBondContact CA-O 3.21Å
571	V	79.4	Confident	80.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.4	177.6	-175	0	0	0	0	109.3	I535 I539 V558 I569 G573 N574 V575 V596 I600	I535-V571 HydrophobicContact CD1-CG2 4.14Å; I535-V571 HydrophobicContact CG2-CG2 4.03Å; I539-V571 HydrophobicContact CD1-CG1 3.9Å; V558-V571 HydrophobicContact CG1-CG2 4.43Å; V558-V571 HydrophobicContact CG2-CG1 4.48Å; V558-V571 HydrophobicContact CG2-CG2 4.42Å; I569-V571 HydrophobicContact CG2-CG2 4.18Å; V571-G573 PolarHBondContact O-N 2.99Å; V571-N574 PolarHBondContact O-N 2.75Å; V571-N574 VanDerWaalsContact O-N 3.17Å; V571-V575 PolarHBondContact N-O 3.35Å; V571-V575 PolarHBondContact O-N 2.97Å; V571-V596 HydrophobicContact CB-CG1 4.29Å; V571-V596 HydrophobicContact CG1-CG1 3.8Å; V571-I600 HydrophobicContact CB-CD1 4.24Å; V571-I600 HydrophobicContact CG2-CD1 3.81Å
572	N	72.1	Confident	80.7	Confident	56 Å²	56	56.4 Å²	56.4	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	23.4	-178.4	-61.8	-25.1	0	0	0	114.6	N557 N574	N557-N572 PolarHBondContact N-OD1 3.48Å; N557-N572 VanDerWaalsContact N-OD1 3.08Å; N557-N572 PolarHBondContact O-N 3.02Å; N572-N574 PolarHBondContact O-N 2.99Å
573	G	73.1	Confident	80.6	Confident	51 Å²	51	53.9 Å²	53.9	53%	0.526	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	-6.3	-177.9	0	0	0	0	0	115.5	V571	V571-G573 PolarHBondContact O-N 2.99Å
574	N	76.3	Confident	81	Confident	84 Å²	84	50.6 Å²	50.6	45%	0.449	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-20.2	-165.8	-64.6	-29.9	0	0	0	114.8	V571 N572 Q593	V571-N574 PolarHBondContact O-N 2.75Å; V571-N574 VanDerWaalsContact O-N 3.17Å; N572-N574 PolarHBondContact O-N 2.99Å; N574-Q593 HydrophobicContact CB-CG 3.79Å
575	V	83.1	Confident	81.9	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.5	173.9	-173.8	0	0	0	0	108.3	V570 V571 I587 D588 W589 Q593 V596 A597 I600	V570-V575 CarbonylContact C-O 3.49Å; V570-V575 WeakPolarHBondContact CA-O 3.21Å; V571-V575 PolarHBondContact N-O 3.35Å; V571-V575 PolarHBondContact O-N 2.97Å; V575-I587 HydrophobicContact CG1-CG2 4.19Å; V575-D588 WeakPolarHBondContact CA-O 3.39Å; V575-W589 HydrophobicContact CB-CB 4.28Å; V575-W589 HydrophobicContact CG1-CB 3.98Å; V575-W589 HydrophobicContact CG2-CB 3.82Å; V575-Q593 HydrophobicContact CG2-CB 3.66Å; V575-Q593 HydrophobicContact CG2-CG 4.33Å; V575-V596 HydrophobicContact CB-CG1 4.38Å; V575-V596 HydrophobicContact CG2-CB 4.03Å; V575-V596 HydrophobicContact CG2-CG1 3.85Å; V575-A597 HydrophobicContact CG1-CB 4.43Å; V575-I600 HydrophobicContact CB-CD1 4.08Å; V575-I600 HydrophobicContact CG1-CD1 3.47Å; V575-I600 VanDerWaalsContact CG1-CD1 3.47Å
576	S	88.7	Confident	82.6	Confident	19 Å²	19	41.3 Å²	41.3	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.6	178.9	61	0	0	0	0	111.1	I569 I587 D588	I569-S576 CarbonylContact O-C 3.44Å; I569-S576 WeakPolarHBondContact O-CA 3.38Å; S576-I587 CarbonylContact O-C 3.59Å; S576-I587 WeakPolarHBondContact O-CA 3.48Å; S576-D588 PolarHBondContact N-O 2.83Å; S576-D588 PolarHBondContact O-N 3.03Å
577	V	88.5	Confident	83	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.1	172.2	-173.7	0	0	0	0	107.8	L531 C568 I569 I579 V586 I587 I600 M604	L531-V577 HydrophobicContact CD2-CB 4.36Å; L531-V577 HydrophobicContact CD2-CG1 3.82Å; C568-V577 CarbonylContact C-O 3.53Å; C568-V577 VanDerWaalsContact CA-O 3.27Å; C568-V577 WeakPolarHBondContact CA-O 3.22Å; I569-V577 HydrophobicContact CB-CB 4.45Å; I569-V577 PolarHBondContact N-O 3.36Å; I569-V577 PolarHBondContact O-N 2.92Å; V577-I579 HydrophobicContact CG1-CG1 4.18Å; V577-V586 CarbonylContact C-O 3.48Å; V577-V586 WeakPolarHBondContact CA-O 3.3Å; V577-I587 HydrophobicContact CG1-CG1 4.09Å; V577-I587 HydrophobicContact CG2-CG1 4.24Å; V577-I587 HydrophobicContact CG2-CG2 4.24Å; V577-I600 HydrophobicContact CG2-CD1 4.26Å; V577-I600 HydrophobicContact CG2-CG2 3.47Å; V577-I600 VanDerWaalsContact CG2-CG2 3.47Å; V577-M604 HydrophobicContact CG1-SD 4.2Å
578	K	88.8	Confident	83.3	Confident	109 Å²	109	39.6 Å²	39.6	47%	0.474	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.8	173.3	-67.2	-179.6	-179.6	179.2	0	109.5	G567 C568 A585 V586	G567-K578 CarbonylContact O-C 3.56Å; G567-K578 VanDerWaalsContact O-CA 3.23Å; G567-K578 WeakPolarHBondContact O-CA 2.95Å; C568-K578 HydrophobicContact CB-CG 4.31Å; K578-A585 CarbonylContact O-C 3.52Å; K578-A585 WeakPolarHBondContact O-CA 3.35Å; K578-V586 HydrophobicContact CB-CB 4.49Å; K578-V586 PolarHBondContact N-O 3.49Å; K578-V586 PolarHBondContact O-N 3.44Å
579	I	86.4	Confident	83.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.6	178	-56.3	178.2	0	0	0	107.7	L518 L524 A527 L528 L531 T566 G567 V577 G584 A585	L518-I579 HydrophobicContact CD1-CG2 3.55Å; L524-I579 HydrophobicContact CD1-CB 3.97Å; L524-I579 HydrophobicContact CD1-CG2 3.75Å; L524-I579 VanDerWaalsContact CD1-O 3.31Å; L524-I579 WeakPolarHBondContact CD1-O 3.41Å; A527-I579 HydrophobicContact CB-CD1 4.38Å; L528-I579 HydrophobicContact CD2-CD1 4.11Å; L531-I579 HydrophobicContact CD2-CD1 4.11Å; T566-I579 CarbonylContact C-O 3.52Å; T566-I579 WeakPolarHBondContact CA-O 3.46Å; G567-I579 PolarHBondContact N-O 3.17Å; G567-I579 PolarHBondContact O-N 3.16Å; V577-I579 HydrophobicContact CG1-CG1 4.18Å; I579-G584 CarbonylContact C-O 3.59Å; I579-G584 WeakPolarHBondContact CA-O 3.3Å; I579-A585 HydrophobicContact CG1-CB 4.18Å
580	G	82.6	Confident	83.3	Confident	15 Å²	15	41.2 Å²	41.2	16%	0.155	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	157.2	174.7	0	0	0	0	0	112.3	D582 G583 G584	G580-D582 WeakPolarHBondContact CA-OD1 3.29Å; G580-D582 PolarHBondContact O-N 3.11Å; G580-G583 PolarHBondContact O-N 3.26Å; G580-G584 PolarHBondContact N-O 3.45Å
581	R	76.5	Confident	83	Confident	180 Å²	180	42.6 Å²	42.6	68%	0.679	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.8	171.9	-84.4	-169.6	-179.8	179.1	5.8	114.1	L524 E564 T565 G583	L524-R581 HydrophobicContact CB-CG 4.47Å; L524-R581 HydrophobicContact CD2-CG 4.18Å; E564-R581 PolarHBondContact O-NE 3.23Å; E564-R581 PolarHBondContact O-NH2 2.79Å; T565-R581 PolarHBondContact O-N 3.23Å; R581-G583 PolarHBondContact O-N 3.04Å
582	D	75.4	Confident	82.7	Confident	139 Å²	139	49.9 Å²	49.9	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-1.6	177.6	63.5	-20	0	0	0	113.6	G580 G584	G580-D582 WeakPolarHBondContact CA-OD1 3.29Å; G580-D582 PolarHBondContact O-N 3.11Å; D582-G584 VanDerWaalsContact C-N 3.31Å; D582-G584 PolarHBondContact OD1-N 3.37Å
583	G	75.8	Confident	83	Confident	20 Å²	20	49.3 Å²	49.3	21%	0.206	27%	0.269	C	S	.	.	S	Bend	trans	82.2	8.3	-175.1	0	0	0	0	0	113.1	L518 G580 R581	L518-G583 WeakPolarHBondContact CB-O 3.39Å; L518-G583 WeakPolarHBondContact CG-O 3.46Å; L518-G583 PolarHBondContact N-O 2.98Å; G580-G583 PolarHBondContact O-N 3.26Å; R581-G583 PolarHBondContact O-N 3.04Å
584	G	83.5	Confident	83.3	Confident	22 Å²	22	50.6 Å²	50.6	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.1	171.1	0	0	0	0	0	111.7	I579 G580 D582	I579-G584 CarbonylContact C-O 3.59Å; I579-G584 WeakPolarHBondContact CA-O 3.3Å; G580-G584 PolarHBondContact N-O 3.45Å; D582-G584 VanDerWaalsContact C-N 3.31Å; D582-G584 PolarHBondContact OD1-N 3.37Å
585	A	87.4	Confident	83.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.5	168.9	0	0	0	0	0	111.2	N515 I516 L518 K578 I579 M604	N515-A585 CarbonylContact C-O 3.53Å; N515-A585 WeakPolarHBondContact CA-O 3.4Å; I516-A585 PolarHBondContact N-O 3.03Å; I516-A585 PolarHBondContact O-N 3.47Å; L518-A585 HydrophobicContact CD1-CB 4.14Å; L518-A585 HydrophobicContact CD2-CB 4.04Å; L518-A585 HydrophobicContact CG-CB 4.02Å; K578-A585 CarbonylContact O-C 3.52Å; K578-A585 WeakPolarHBondContact O-CA 3.35Å; I579-A585 HydrophobicContact CG1-CB 4.18Å; A585-M604 HydrophobicContact CB-CE 3.62Å
586	V	89.8	Confident	83.3	Confident	47 Å²	47	52.6 Å²	52.6	29%	0.285	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121	179.4	-176.3	0	0	0	0	108.8	T513 V514 N515 V577 K578	T513-V586 HydrophobicContact CG2-CG1 3.66Å; V514-V586 WeakPolarHBondContact O-CA 3.32Å; N515-V586 WeakPolarHBondContact OD1-CG1 3.1Å; N515-V586 WeakPolarHBondContact OD1-CG2 3.29Å; V577-V586 CarbonylContact C-O 3.48Å; V577-V586 WeakPolarHBondContact CA-O 3.3Å; K578-V586 HydrophobicContact CB-CB 4.49Å; K578-V586 PolarHBondContact N-O 3.49Å; K578-V586 PolarHBondContact O-N 3.44Å
587	I	90.3	Very high	83.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.6	177.6	-51.4	167.8	0	0	0	108	T513 V514 I516 V575 S576 V577 W589 I600 L601 M604	T513-I587 CarbonylContact C-O 3.46Å; T513-I587 VanDerWaalsContact CA-O 3.3Å; T513-I587 WeakPolarHBondContact CA-O 3.4Å; V514-I587 PolarHBondContact N-O 2.72Å; V514-I587 PolarHBondContact O-N 3.01Å; I516-I587 HydrophobicContact CD1-CD1 3.7Å; V575-I587 HydrophobicContact CG1-CG2 4.19Å; S576-I587 CarbonylContact O-C 3.59Å; S576-I587 WeakPolarHBondContact O-CA 3.48Å; V577-I587 HydrophobicContact CG1-CG1 4.09Å; V577-I587 HydrophobicContact CG2-CG1 4.24Å; V577-I587 HydrophobicContact CG2-CG2 4.24Å; I587-W589 HydrophobicContact CB-CZ3 4.35Å; I587-W589 HydrophobicContact CG2-CE3 3.91Å; I587-W589 HydrophobicContact CG2-CZ3 4.1Å; I587-I600 HydrophobicContact CD1-CG2 4.3Å; I587-L601 HydrophobicContact CD1-CD2 3.44Å; I587-L601 VanDerWaalsContact CD1-CD2 3.44Å; I587-L601 HydrophobicContact CD1-CG 4.01Å; I587-M604 HydrophobicContact CD1-SD 3.56Å; I587-M604 VanDerWaalsContact CD1-SD 3.56Å; I587-M604 HydrophobicContact CG1-SD 4.18Å
588	D	91.7	Very high	82.9	Confident	21 Å²	21	59.2 Å²	59.2	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	177.1	-73.3	-52.5	0	0	0	110.4	R511 F512 T513 V575 S576	R511-D588 IonicContact NH2-OD2 2.77Å; F512-D588 WeakPolarHBondContact O-CA 3.41Å; T513-D588 VanDerWaalsContact CB-OD1 3.24Å; T513-D588 WeakPolarHBondContact CB-OD1 3.41Å; T513-D588 WeakPolarHBondContact CG2-OD1 3.47Å; T513-D588 PolarHBondContact OG1-OD1 3.42Å; V575-D588 WeakPolarHBondContact CA-O 3.39Å; S576-D588 PolarHBondContact N-O 2.83Å; S576-D588 PolarHBondContact O-N 3.03Å
589	W	91	Very high	82.7	Confident	16 Å²	16	55 Å²	55	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.4	172.5	70.8	108.8	0	0	0	112.6	R511 F512 V514 V575 I587 D594 A597 L601	R511-W589 CarbonylContact C-O 3.45Å; R511-W589 WeakPolarHBondContact CA-O 3.41Å; F512-W589 HydrophobicContact CB-CD2 3.88Å; F512-W589 HydrophobicContact CB-CE3 4.16Å; F512-W589 HydrophobicContact CB-CH2 3.97Å; F512-W589 HydrophobicContact CB-CZ2 3.64Å; F512-W589 HydrophobicContact CB-CZ3 4.21Å; F512-W589 HydrophobicContact CG-CZ2 4.33Å; F512-W589 PolarHBondContact N-O 3.28Å; F512-W589 PolarHBondContact O-N 3.16Å; V514-W589 HydrophobicContact CB-CH2 4.32Å; V514-W589 HydrophobicContact CB-CZ3 4.09Å; V514-W589 HydrophobicContact CG2-CH2 3.51Å; V514-W589 HydrophobicContact CG2-CZ3 3.74Å; V575-W589 HydrophobicContact CB-CB 4.28Å; V575-W589 HydrophobicContact CG1-CB 3.98Å; V575-W589 HydrophobicContact CG2-CB 3.82Å; I587-W589 HydrophobicContact CB-CZ3 4.35Å; I587-W589 HydrophobicContact CG2-CE3 3.91Å; I587-W589 HydrophobicContact CG2-CZ3 4.1Å; W589-D594 PolarHBondContact NE1-OD1 2.8Å; W589-A597 HydrophobicContact CB-CB 4.08Å; W589-A597 HydrophobicContact CD2-CB 3.3Å; W589-A597 VanDerWaalsContact CE2-CB 3.42Å; W589-A597 HydrophobicContact CE3-CB 3.81Å; W589-A597 HydrophobicContact CG-CB 3.44Å; W589-A597 VanDerWaalsContact CG-CB 3.44Å; W589-A597 HydrophobicContact CH2-CB 4.41Å; W589-A597 HydrophobicContact CZ2-CB 4Å; W589-A597 HydrophobicContact CZ3-CB 4.33Å; W589-L601 HydrophobicContact CH2-CD1 4.42Å
590	N	83.2	Confident	82.6	Confident	46 Å²	46	54.8 Å²	54.8	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147.4	167.1	-68.2	-28	0	0	0	110	L510 Q592 Q593	L510-N590 WeakPolarHBondContact O-CA 3.41Å; N590-Q592 PolarHBondContact O-N 2.55Å; N590-Q593 PolarHBondContact O-N 2.98Å
591	V	79.3	Confident	82.7	Confident	65 Å²	65	56.4 Å²	56.4	39%	0.394	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-48.5	-30.3	-178.7	75.7	0	0	0	0	114.6	L510 F512 Q593 D594	L510-V591 HydrophobicContact CB-CB 4.25Å; L510-V591 HydrophobicContact CB-CG1 4.37Å; L510-V591 PolarHBondContact O-N 3.11Å; F512-V591 HydrophobicContact CD2-CB 4.27Å; F512-V591 HydrophobicContact CE2-CB 3.72Å; F512-V591 HydrophobicContact CE2-CG2 3.69Å; F512-V591 HydrophobicContact CZ-CG2 4.47Å; V591-Q593 PolarHBondContact O-N 2.9Å; V591-Q593 VanDerWaalsContact O-N 3.13Å; V591-D594 WeakPolarHBondContact O-CB 3.44Å; V591-D594 PolarHBondContact O-N 2.79Å
592	Q	73	Confident	83.1	Confident	152 Å²	152	52.2 Å²	52.2	71%	0.71	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-68.2	-8.6	178.9	-63.6	159.2	-9.3	0	0	113.6	N590	N590-Q592 PolarHBondContact O-N 2.55Å
593	Q	79.4	Confident	83.5	Confident	45 Å²	45	45.6 Å²	45.6	21%	0.21	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-120.9	21	-178.6	-60.5	-65.3	-76.9	0	0	111.9	N574 V575 N590 V591 D595 V596 A597	N574-Q593 HydrophobicContact CB-CG 3.79Å; V575-Q593 HydrophobicContact CG2-CB 3.66Å; V575-Q593 HydrophobicContact CG2-CG 4.33Å; N590-Q593 PolarHBondContact O-N 2.98Å; V591-Q593 PolarHBondContact O-N 2.9Å; V591-Q593 VanDerWaalsContact O-N 3.13Å; Q593-D595 PolarHBondContact O-N 3.06Å; Q593-V596 WeakPolarHBondContact O-CB 3.24Å; Q593-V596 PolarHBondContact O-N 2.76Å; Q593-A597 PolarHBondContact O-N 2.83Å
594	D	79.4	Confident	83.7	Confident	78 Å²	78	44.9 Å²	44.9	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-55.8	-38.7	-176.7	-149.8	43.5	0	0	0	112.5	W589 V591 V596 A597 Y598	W589-D594 PolarHBondContact NE1-OD1 2.8Å; V591-D594 WeakPolarHBondContact O-CB 3.44Å; V591-D594 PolarHBondContact O-N 2.79Å; D594-V596 VanDerWaalsContact C-N 3.31Å; D594-V596 PolarHBondContact O-N 2.85Å; D594-A597 PolarHBondContact O-N 2.79Å; D594-Y598 WeakPolarHBondContact O-CB 3.3Å; D594-Y598 PolarHBondContact O-N 2.79Å
595	D	78.6	Confident	83.5	Confident	107 Å²	107	52 Å²	52	57%	0.572	25%	0.251	S	S	*	.	H	α-helix	trans	-62.6	-37	176.8	-55	-32.8	0	0	0	112.9	W542 Q593 L599	W542-D595 HydrophobicContact CH2-CB 3.49Å; W542-D595 VanDerWaalsContact CH2-CB 3.49Å; W542-D595 HydrophobicContact CZ2-CB 4.03Å; Q593-D595 PolarHBondContact O-N 3.06Å; D595-L599 WeakPolarHBondContact O-CB 3.14Å; D595-L599 PolarHBondContact O-N 2.75Å
596	V	80.8	Confident	82.9	Confident	18 Å²	18	56.4 Å²	56.4	11%	0.109	27%	0.272	C	S	.	.	H	α-helix	trans	-72.6	-43	178.7	-179.2	0	0	0	0	109.7	V571 V575 Q593 D594 L599 I600	V571-V596 HydrophobicContact CB-CG1 4.29Å; V571-V596 HydrophobicContact CG1-CG1 3.8Å; V575-V596 HydrophobicContact CB-CG1 4.38Å; V575-V596 HydrophobicContact CG2-CB 4.03Å; V575-V596 HydrophobicContact CG2-CG1 3.85Å; Q593-V596 WeakPolarHBondContact O-CB 3.24Å; Q593-V596 PolarHBondContact O-N 2.76Å; D594-V596 VanDerWaalsContact C-N 3.31Å; D594-V596 PolarHBondContact O-N 2.85Å; V596-L599 WeakPolarHBondContact O-CB 3.39Å; V596-L599 PolarHBondContact O-N 3.23Å; V596-I600 HydrophobicContact CG1-CD1 4.09Å; V596-I600 WeakPolarHBondContact O-CG1 3.48Å; V596-I600 PolarHBondContact O-N 2.82Å
597	A	84.2	Confident	81.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-43.2	175.1	0	0	0	0	0	111.6	V575 W589 Q593 D594 L599 I600 L601	V575-A597 HydrophobicContact CG1-CB 4.43Å; W589-A597 HydrophobicContact CB-CB 4.08Å; W589-A597 HydrophobicContact CD2-CB 3.3Å; W589-A597 VanDerWaalsContact CE2-CB 3.42Å; W589-A597 HydrophobicContact CE3-CB 3.81Å; W589-A597 HydrophobicContact CG-CB 3.44Å; W589-A597 VanDerWaalsContact CG-CB 3.44Å; W589-A597 HydrophobicContact CH2-CB 4.41Å; W589-A597 HydrophobicContact CZ2-CB 4Å; W589-A597 HydrophobicContact CZ3-CB 4.33Å; Q593-A597 PolarHBondContact O-N 2.83Å; D594-A597 PolarHBondContact O-N 2.79Å; A597-L599 VanDerWaalsContact C-N 3.32Å; A597-L599 PolarHBondContact O-N 3.26Å; A597-I600 PolarHBondContact O-N 2.87Å; A597-L601 WeakPolarHBondContact O-CB 3.43Å; A597-L601 VanDerWaalsContact O-CG 3.28Å; A597-L601 WeakPolarHBondContact O-CG 3.35Å; A597-L601 PolarHBondContact O-N 3.26Å
598	Y	84.1	Confident	80.7	Confident	158 Å²	158	62.3 Å²	62.3	62%	0.62	30%	0.301	S	S	*	.	H	α-helix	trans	-58.5	-42.9	173.7	177.1	-99.3	0	0	0	112.2	D594 L601 K602	D594-Y598 WeakPolarHBondContact O-CB 3.3Å; D594-Y598 PolarHBondContact O-N 2.79Å; Y598-L601 PolarHBondContact O-N 3.33Å; Y598-K602 WeakPolarHBondContact O-CB 3.47Å; Y598-K602 PolarHBondContact O-N 2.88Å
599	L	83.5	Confident	79	Confident	20 Å²	20	62 Å²	62	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.6	-169.7	104	0	0	0	111.7	I539 D595 V596 A597 K602 C603	I539-L599 HydrophobicContact CD1-CD2 4.25Å; I539-L599 HydrophobicContact CG1-CD2 3.45Å; I539-L599 VanDerWaalsContact CG1-CD2 3.45Å; D595-L599 WeakPolarHBondContact O-CB 3.14Å; D595-L599 PolarHBondContact O-N 2.75Å; V596-L599 WeakPolarHBondContact O-CB 3.39Å; V596-L599 PolarHBondContact O-N 3.23Å; A597-L599 VanDerWaalsContact C-N 3.32Å; A597-L599 PolarHBondContact O-N 3.26Å; L599-K602 WeakPolarHBondContact O-CB 3.23Å; L599-K602 PolarHBondContact O-N 3.39Å; L599-C603 PolarHBondContact O-N 3.48Å; L599-C603 PolarHBondContact O-SG 3.18Å
600	I	84.7	Confident	78.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-46.4	177.6	-70.6	167	0	0	0	110.4	I535 V571 V575 V577 I587 V596 A597 K602 C603 M604	I535-I600 HydrophobicContact CD1-CG1 3.97Å; I535-I600 HydrophobicContact CG1-CG1 4.17Å; V571-I600 HydrophobicContact CB-CD1 4.24Å; V571-I600 HydrophobicContact CG2-CD1 3.81Å; V575-I600 HydrophobicContact CB-CD1 4.08Å; V575-I600 HydrophobicContact CG1-CD1 3.47Å; V575-I600 VanDerWaalsContact CG1-CD1 3.47Å; V577-I600 HydrophobicContact CG2-CD1 4.26Å; V577-I600 HydrophobicContact CG2-CG2 3.47Å; V577-I600 VanDerWaalsContact CG2-CG2 3.47Å; I587-I600 HydrophobicContact CD1-CG2 4.3Å; V596-I600 HydrophobicContact CG1-CD1 4.09Å; V596-I600 WeakPolarHBondContact O-CG1 3.48Å; V596-I600 PolarHBondContact O-N 2.82Å; A597-I600 PolarHBondContact O-N 2.87Å; I600-K602 VanDerWaalsContact C-N 3.26Å; I600-K602 PolarHBondContact O-N 3.29Å; I600-C603 WeakPolarHBondContact O-CB 3.42Å; I600-C603 PolarHBondContact O-N 3.24Å; I600-C603 VanDerWaalsContact O-N 3.15Å; I600-M604 HydrophobicContact CG2-SD 4.24Å; I600-M604 WeakPolarHBondContact O-CG 3.39Å; I600-M604 PolarHBondContact O-N 2.72Å
601	L	85.6	Confident	78.2	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-41.2	174.3	-75.7	167.8	0	0	0	111.5	V514 I516 I587 W589 A597 Y598 M604 K605	V514-L601 HydrophobicContact CG1-CD2 4.44Å; I516-L601 HydrophobicContact CD1-CD2 3.48Å; I516-L601 VanDerWaalsContact CD1-CD2 3.48Å; I587-L601 HydrophobicContact CD1-CD2 3.44Å; I587-L601 VanDerWaalsContact CD1-CD2 3.44Å; I587-L601 HydrophobicContact CD1-CG 4.01Å; W589-L601 HydrophobicContact CH2-CD1 4.42Å; A597-L601 WeakPolarHBondContact O-CB 3.43Å; A597-L601 VanDerWaalsContact O-CG 3.28Å; A597-L601 WeakPolarHBondContact O-CG 3.35Å; A597-L601 PolarHBondContact O-N 3.26Å; Y598-L601 PolarHBondContact O-N 3.33Å; L601-M604 PolarHBondContact O-N 2.85Å; L601-K605 WeakPolarHBondContact O-CB 3.26Å; L601-K605 PolarHBondContact O-N 3.12Å
602	K	83.7	Confident	78.1	Confident	92 Å²	92	65.3 Å²	65.3	40%	0.4	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-43.9	175.6	-173.6	177.9	176.1	-179	0	112	Y598 L599 I600 M604 K605 E606	Y598-K602 WeakPolarHBondContact O-CB 3.47Å; Y598-K602 PolarHBondContact O-N 2.88Å; L599-K602 WeakPolarHBondContact O-CB 3.23Å; L599-K602 PolarHBondContact O-N 3.39Å; I600-K602 VanDerWaalsContact C-N 3.26Å; I600-K602 PolarHBondContact O-N 3.29Å; K602-M604 VanDerWaalsContact C-N 3.35Å; K602-M604 PolarHBondContact O-N 3.49Å; K602-K605 PolarHBondContact O-N 2.92Å; K602-E606 WeakPolarHBondContact CE-OE1 3.45Å; K602-E606 WeakPolarHBondContact O-CG 3.27Å; K602-E606 PolarHBondContact O-N 2.95Å
603	C	83.6	Confident	78.4	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-47.8	174.3	-69	0	0	0	0	111	L531 A534 Y538 L599 I600 K605 E606 M607	L531-C603 HydrophobicContact CD1-CB 4.1Å; A534-C603 HydrophobicContact CB-CB 4.05Å; Y538-C603 WeakPolarHBondContact CD2-SG 3.42Å; L599-C603 PolarHBondContact O-N 3.48Å; L599-C603 PolarHBondContact O-SG 3.18Å; I600-C603 WeakPolarHBondContact O-CB 3.42Å; I600-C603 PolarHBondContact O-N 3.24Å; I600-C603 VanDerWaalsContact O-N 3.15Å; C603-K605 VanDerWaalsContact C-N 3.35Å; C603-K605 PolarHBondContact O-N 3.46Å; C603-E606 PolarHBondContact O-N 2.99Å; C603-M607 WeakPolarHBondContact O-CB 3.31Å; C603-M607 WeakPolarHBondContact O-CG 3.33Å; C603-M607 PolarHBondContact O-N 2.85Å
604	M	80.7	Confident	78.3	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-43.3	178.1	-68.8	-179.6	71.5	0	0	111.5	I516 L518 L531 V577 A585 I587 I600 L601 K602 E606 M607 L609	I516-M604 HydrophobicContact CD1-CE 4.33Å; I516-M604 HydrophobicContact CD1-SD 4.5Å; L518-M604 HydrophobicContact CD2-CE 3.67Å; L531-M604 HydrophobicContact CD1-CG 3.62Å; L531-M604 HydrophobicContact CD2-CG 4.21Å; L531-M604 HydrophobicContact CD2-SD 4.31Å; V577-M604 HydrophobicContact CG1-SD 4.2Å; A585-M604 HydrophobicContact CB-CE 3.62Å; I587-M604 HydrophobicContact CD1-SD 3.56Å; I587-M604 VanDerWaalsContact CD1-SD 3.56Å; I587-M604 HydrophobicContact CG1-SD 4.18Å; I600-M604 HydrophobicContact CG2-SD 4.24Å; I600-M604 WeakPolarHBondContact O-CG 3.39Å; I600-M604 PolarHBondContact O-N 2.72Å; L601-M604 PolarHBondContact O-N 2.85Å; K602-M604 VanDerWaalsContact C-N 3.35Å; K602-M604 PolarHBondContact O-N 3.49Å; M604-E606 PolarHBondContact O-N 3.04Å; M604-M607 PolarHBondContact O-N 2.72Å; M604-L609 HydrophobicContact CB-CB 4.4Å; M604-L609 HydrophobicContact CG-CD1 4.28Å; M604-L609 WeakPolarHBondContact O-CB 3.45Å; M604-L609 PolarHBondContact O-N 2.76Å; M604-L609 VanDerWaalsContact O-N 3.13Å
605	K	79.3	Confident	78.3	Confident	171 Å²	171	60 Å²	60	74%	0.743	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-42.9	176	-173.2	177.3	-179.6	178.3	0	112.8	L601 K602 C603 M607 N608	L601-K605 WeakPolarHBondContact O-CB 3.26Å; L601-K605 PolarHBondContact O-N 3.12Å; K602-K605 PolarHBondContact O-N 2.92Å; C603-K605 VanDerWaalsContact C-N 3.35Å; C603-K605 PolarHBondContact O-N 3.46Å; K605-M607 VanDerWaalsContact C-N 3.34Å; K605-N608 PolarHBondContact O-N 3.16Å
606	E	74.2	Confident	78.2	Confident	94 Å²	94	56.6 Å²	56.6	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-70.5	-30	-180	-75.6	-179.3	-172.9	0	0	113.2	Y538 K602 C603 M604 N608	Y538-E606 WeakPolarHBondContact CE2-OE2 3.45Å; Y538-E606 VanDerWaalsContact OH-CD 3.22Å; Y538-E606 PolarHBondContact OH-OE1 2.86Å; Y538-E606 PolarHBondContact OH-OE2 2.72Å; K602-E606 WeakPolarHBondContact CE-OE1 3.45Å; K602-E606 WeakPolarHBondContact O-CG 3.27Å; K602-E606 PolarHBondContact O-N 2.95Å; C603-E606 PolarHBondContact O-N 2.99Å; M604-E606 PolarHBondContact O-N 3.04Å; E606-N608 PolarHBondContact O-N 3.24Å
607	M	70.1	Confident	78	Confident	35 Å²	35	59.6 Å²	59.6	17%	0.172	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-1.6	175.1	-70.3	173.9	60	0	0	113.2	A530 L531 A534 C603 M604 K605 L609	A530-M607 HydrophobicContact CB-CE 3.21Å; L531-M607 HydrophobicContact CB-CE 4.42Å; L531-M607 HydrophobicContact CB-SD 4.34Å; L531-M607 HydrophobicContact CD1-SD 4.22Å; A534-M607 HydrophobicContact CB-SD 3.76Å; C603-M607 WeakPolarHBondContact O-CB 3.31Å; C603-M607 WeakPolarHBondContact O-CG 3.33Å; C603-M607 PolarHBondContact O-N 2.85Å; M604-M607 PolarHBondContact O-N 2.72Å; K605-M607 VanDerWaalsContact C-N 3.34Å; M607-L609 HydrophobicContact CB-CB 4.12Å; M607-L609 HydrophobicContact CB-CD1 4.05Å; M607-L609 HydrophobicContact CB-CG 3.94Å; M607-L609 HydrophobicContact CE-CD1 3.37Å; M607-L609 HydrophobicContact CE-CG 3.92Å; M607-L609 PolarHBondContact O-N 3.21Å; M607-L609 VanDerWaalsContact O-N 3.15Å; M607-L609 HydrophobicContact SD-CD1 3.8Å
608	N	64.1	Low	77.5	Confident	135 Å²	135	64.6 Å²	64.6	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	31.8	-166.2	-90.8	-16.7	0	0	0	111.7	K605 E606	K605-N608 PolarHBondContact O-N 3.16Å; E606-N608 PolarHBondContact O-N 3.24Å
609	L	56.7	Low	76.9	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	27%	0.268	C	S	.	.			trans	-63.4	0	-175.8	-109.8	173.4	0	0	0	109.8	L518 K519 S520 Y522 A527 L531 M604 M607	L518-L609 WeakPolarHBondContact CA-OXT 3.22Å; L518-L609 WeakPolarHBondContact CB-OXT 3.41Å; L518-L609 HydrophobicContact CD1-CD2 4.02Å; L518-L609 HydrophobicContact CD2-CB 3.71Å; L518-L609 HydrophobicContact CD2-CD2 3.82Å; L518-L609 HydrophobicContact CD2-CG 4.25Å; L518-L609 HydrophobicContact CG-CD2 4.39Å; K519-L609 PolarHBondContact N-OXT 2.86Å; S520-L609 PolarHBondContact N-OXT 3.49Å; S520-L609 VanDerWaalsContact N-OXT 3.16Å; S520-L609 WeakPolarHBondContact OG-CD2 3.41Å; S520-L609 PolarHBondContact OG-OXT 2.72Å; Y522-L609 HydrophobicContact CD2-CD2 3.95Å; A527-L609 HydrophobicContact CB-CD2 3.97Å; L531-L609 HydrophobicContact CB-CD1 4.42Å; M604-L609 HydrophobicContact CB-CB 4.4Å; M604-L609 HydrophobicContact CG-CD1 4.28Å; M604-L609 WeakPolarHBondContact O-CB 3.45Å; M604-L609 PolarHBondContact O-N 2.76Å; M604-L609 VanDerWaalsContact O-N 3.13Å; M607-L609 HydrophobicContact CB-CB 4.12Å; M607-L609 HydrophobicContact CB-CD1 4.05Å; M607-L609 HydrophobicContact CB-CG 3.94Å; M607-L609 HydrophobicContact CE-CD1 3.37Å; M607-L609 HydrophobicContact CE-CG 3.92Å; M607-L609 PolarHBondContact O-N 3.21Å; M607-L609 VanDerWaalsContact O-N 3.15Å; M607-L609 HydrophobicContact SD-CD1 3.8Å

Retrieved 609 of 609 residues in 480.1 ms (Link to these results)

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