A0A3Q0KFK0_SCHMA Loading...

Putative histidine triad (Hit) protein

AlphaFold DB , UniProt , Accession A0A3Q0KFK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

						>A0A3Q0KFK0_SCHMA|A0A3Q0KFK0
MSSEVEKARTSVHTHGPTIFSKIINKEIPADIIYEDDDCLAFRDISPQAPTHFLVIPKKQIPTLDSASSEHEKLLGHLMLVCSQVAQKEGLSSGYRVVVNNGPDGAQSVYHLHLHVLGGRQMKWPPG
					

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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	60.1	Low	84.7	Confident	201 Å²	201	84.9 Å²	84.9	99%	0.99	44%	0.438	S	S	*	.				0	139.9	0	-66.1	-170.2	-133.1	0	0	107.1
2	S	67.6	Low	84.7	Confident	59 Å²	59	87 Å²	87	41%	0.413	46%	0.457	S	S	.	.			trans	-60.2	145.4	172.8	47	0	0	0	0	110.2	E6 K7	S2-E6 WeakPolarHBondContact CA-OE2 3.41Å; S2-E6 VanDerWaalsContact CB-OE2 3.25Å; S2-E6 WeakPolarHBondContact CB-OE2 3.39Å; S2-K7 WeakPolarHBondContact O-CE 3.43Å; S2-K7 WeakPolarHBondContact OG-CG 3.43Å
3	S	85.8	Confident	84.7	Confident	55 Å²	55	86.3 Å²	86.3	39%	0.385	45%	0.45	S	S	.	.			trans	-63.4	156.7	174.8	66.9	0	0	0	0	110.6	V5 E6 K7	S3-V5 PolarHBondContact O-N 3.37Å; S3-E6 PolarHBondContact N-OE2 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.38Å; S3-E6 PolarHBondContact O-N 3.32Å; S3-E6 VanDerWaalsContact OG-CG 3.32Å; S3-E6 WeakPolarHBondContact OG-CG 3.16Å; S3-E6 PolarHBondContact OG-N 3.46Å; S3-E6 VanDerWaalsContact OG-N 3.1Å; S3-K7 WeakPolarHBondContact O-CG 3.34Å; S3-K7 PolarHBondContact O-N 2.99Å
4	E	87	Confident	84.5	Confident	55 Å²	55	85.7 Å²	85.7	26%	0.257	45%	0.452	S	S	.	.	H	α-helix	trans	-56.9	-32.9	173.1	-72.3	-56.8	123.3	0	0	111.7	K7 A8 S108	E4-K7 PolarHBondContact O-N 3.33Å; E4-K7 WeakPolarHBondContact OE1-CD 3.32Å; E4-K7 IonicContact OE1-NZ 2.96Å; E4-K7 PolarHBondContact OE1-NZ 3.4Å; E4-A8 VanDerWaalsContact O-CB 3.29Å; E4-A8 WeakPolarHBondContact O-CB 3.35Å; E4-A8 PolarHBondContact O-N 2.98Å; E4-S108 WeakPolarHBondContact OE2-CB 3.24Å; E4-S108 PolarHBondContact OE2-OG 3.19Å
5	V	89.6	Confident	84.4	Confident	68 Å²	68	92.3 Å²	92.3	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-44.8	174.1	-179.6	0	0	0	0	111.7	S3 A8 R9 A106	S3-V5 PolarHBondContact O-N 3.37Å; V5-A8 PolarHBondContact O-N 2.91Å; V5-R9 WeakPolarHBondContact O-CG 3.42Å; V5-R9 PolarHBondContact O-N 3.41Å; V5-A106 HydrophobicContact CG2-CB 4.3Å
6	E	91.1	Very high	84.7	Confident	106 Å²	106	88.1 Å²	88.1	50%	0.495	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-41.9	176.6	-75.3	167.5	167.3	0	0	111.7	S2 S3 R9 T10	S2-E6 WeakPolarHBondContact CA-OE2 3.41Å; S2-E6 VanDerWaalsContact CB-OE2 3.25Å; S2-E6 WeakPolarHBondContact CB-OE2 3.39Å; S3-E6 PolarHBondContact N-OE2 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.38Å; S3-E6 PolarHBondContact O-N 3.32Å; S3-E6 VanDerWaalsContact OG-CG 3.32Å; S3-E6 WeakPolarHBondContact OG-CG 3.16Å; S3-E6 PolarHBondContact OG-N 3.46Å; S3-E6 VanDerWaalsContact OG-N 3.1Å; E6-R9 PolarHBondContact O-N 3.41Å; E6-T10 PolarHBondContact O-N 3.13Å; E6-T10 PolarHBondContact O-OG1 3.34Å
7	K	90.5	Very high	85.2	Confident	52 Å²	52	88.6 Å²	88.6	23%	0.226	47%	0.474	C	S	.	.	H	α-helix	trans	-61.3	-49.3	175.2	-65.4	177.1	-167.9	167.2	0	110.6	S2 S3 E4 R9 T10 S11	S2-K7 WeakPolarHBondContact O-CE 3.43Å; S2-K7 WeakPolarHBondContact OG-CG 3.43Å; S3-K7 WeakPolarHBondContact O-CG 3.34Å; S3-K7 PolarHBondContact O-N 2.99Å; E4-K7 PolarHBondContact O-N 3.33Å; E4-K7 WeakPolarHBondContact OE1-CD 3.32Å; E4-K7 IonicContact OE1-NZ 2.96Å; E4-K7 PolarHBondContact OE1-NZ 3.4Å; K7-R9 PolarHBondContact O-N 2.91Å; K7-T10 CarbonylContact O-C 3.55Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-T10 PolarHBondContact O-OG1 2.87Å; K7-S11 WeakPolarHBondContact O-CB 3.45Å; K7-S11 PolarHBondContact O-N 3.5Å; K7-S11 PolarHBondContact O-OG 3.05Å
8	A	91.7	Very high	85.8	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.008	45%	0.454	C	S	.	.	H	α-helix	trans	-58.4	-35.6	-178.6	0	0	0	0	0	113.4	E4 V5 T10 A106 Q107	E4-A8 VanDerWaalsContact O-CB 3.29Å; E4-A8 WeakPolarHBondContact O-CB 3.35Å; E4-A8 PolarHBondContact O-N 2.98Å; V5-A8 PolarHBondContact O-N 2.91Å; A8-T10 VanDerWaalsContact C-N 3.3Å; A8-T10 PolarHBondContact O-N 3.33Å; A8-A106 VanDerWaalsContact CB-C 3.42Å; A8-A106 VanDerWaalsContact CB-CA 3.48Å; A8-A106 HydrophobicContact CB-CB 4.36Å; A8-Q107 WeakPolarHBondContact CA-O 3.12Å; A8-Q107 WeakPolarHBondContact CB-O 3.29Å
9	R	90.7	Very high	86.3	Confident	196 Å²	196	84.8 Å²	84.8	74%	0.74	45%	0.454	S	S	*	.	H	α-helix	trans	-69.7	-24.7	176.7	-73.3	174.9	177	-179.3	-0.2	113.9	V5 E6 K7	V5-R9 WeakPolarHBondContact O-CG 3.42Å; V5-R9 PolarHBondContact O-N 3.41Å; E6-R9 PolarHBondContact O-N 3.41Å; K7-R9 PolarHBondContact O-N 2.91Å
10	T	89.8	Confident	86.9	Confident	109 Å²	109	81.4 Å²	81.4	67%	0.669	44%	0.435	S	S	*	.	H	α-helix	trans	-105.7	-11.2	179.7	62.3	0	0	0	0	113.2	E6 K7 A8 V12	E6-T10 PolarHBondContact O-N 3.13Å; E6-T10 PolarHBondContact O-OG1 3.34Å; K7-T10 CarbonylContact O-C 3.55Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-T10 PolarHBondContact O-OG1 2.87Å; A8-T10 VanDerWaalsContact C-N 3.3Å; A8-T10 PolarHBondContact O-N 3.33Å; T10-V12 PolarHBondContact O-N 2.72Å
11	S	87.9	Confident	87.3	Confident	32 Å²	32	78.1 Å²	78.1	22%	0.224	42%	0.419	C	S	.	.			trans	-69.3	127.5	178.7	-71.9	0	0	0	0	111.3	K7 S108 Y110	K7-S11 WeakPolarHBondContact O-CB 3.45Å; K7-S11 PolarHBondContact O-N 3.5Å; K7-S11 PolarHBondContact O-OG 3.05Å; S11-S108 WeakPolarHBondContact CB-O 3.41Å; S11-S108 PolarHBondContact OG-O 2.94Å; S11-Y110 WeakPolarHBondContact O-CE2 3.26Å
12	V	84	Confident	89.1	Confident	110 Å²	110	72.9 Å²	72.9	67%	0.667	39%	0.39	S	S	*	.			trans	-109.9	129.8	178.4	-176.7	0	0	0	0	108.7	T10 T14	T10-V12 PolarHBondContact O-N 2.72Å; V12-T14 HydrophobicContact CG1-CG2 4.43Å; V12-T14 PolarHBondContact O-N 3.34Å
13	H	85.7	Confident	90.6	Very high	78 Å²	78	70.7 Å²	70.7	36%	0.361	37%	0.374	S	S	.	.			trans	-64.2	117	167.2	-179.3	-147	0	0	0	109.1	P62 Y110	H13-P62 VanDerWaalsContact NE2-CB 3.32Å; H13-P62 WeakPolarHBondContact NE2-CB 3.08Å; H13-P62 VanDerWaalsContact NE2-CG 3.26Å; H13-P62 WeakPolarHBondContact NE2-CG 3.13Å; H13-Y110 HydrophobicContact CB-CD1 3.5Å; H13-Y110 VanDerWaalsContact CB-CD1 3.5Å; H13-Y110 HydrophobicContact CB-CD2 4.43Å; H13-Y110 HydrophobicContact CB-CE1 3.74Å; H13-Y110 HydrophobicContact CB-CG 3.86Å; H13-Y110 AromaticContact CG-CD1 3.89Å
14	T	81.9	Confident	91.1	Very high	78 Å²	78	69.2 Å²	69.2	48%	0.479	36%	0.361	S	S	.	.			trans	-116.2	150	170.7	68.4	0	0	0	0	108.8	V12 G16	V12-T14 HydrophobicContact CG1-CG2 4.43Å; V12-T14 PolarHBondContact O-N 3.34Å; T14-G16 PolarHBondContact O-N 3.41Å; T14-G16 VanDerWaalsContact O-N 3.12Å
15	H	82	Confident	91.6	Very high	185 Å²	185	71.3 Å²	71.3	86%	0.856	37%	0.374	S	S	*	.	S	Bend	trans	-72.5	3.9	175.6	-66.1	85.2	0	0	0	113
16	G	89.6	Confident	92	Very high	25 Å²	25	72.7 Å²	72.7	26%	0.258	37%	0.374	S	S	.	.	S	Bend	trans	-92.5	178.6	-175.8	0	0	0	0	0	113.8	T14 Q60	T14-G16 PolarHBondContact O-N 3.41Å; T14-G16 VanDerWaalsContact O-N 3.12Å; G16-Q60 PolarHBondContact O-NE2 3.45Å
17	P	92.8	Very high	92.3	Very high	96 Å²	96	73.3 Å²	73.3	62%	0.623	38%	0.378	S	S	*	.			trans	-62.6	139.9	173.1	26.9	-33.9	0	0	0	110.9
18	T	96.1	Very high	92.6	Very high	19 Å²	19	73.7 Å²	73.7	12%	0.117	38%	0.381	C	S	.	.			trans	-94	176.1	174	72	0	0	0	0	110.7	F20 S21 K22 V109 Y110 H111	T18-F20 PolarHBondContact O-N 3.29Å; T18-F20 PolarHBondContact OG1-N 3.09Å; T18-F20 VanDerWaalsContact OG1-N 3.13Å; T18-S21 PolarHBondContact N-OG 3.17Å; T18-S21 WeakPolarHBondContact O-CB 3.46Å; T18-S21 PolarHBondContact O-N 3.28Å; T18-S21 VanDerWaalsContact O-N 3.14Å; T18-S21 PolarHBondContact OG1-N 2.91Å; T18-S21 PolarHBondContact OG1-OG 3.48Å; T18-K22 PolarHBondContact O-N 2.94Å; T18-V109 HydrophobicContact CG2-CG1 4.44Å; T18-Y110 WeakPolarHBondContact CG2-O 3.41Å; T18-H111 HydrophobicContact CG2-CB 4.03Å
19	I	95.9	Very high	92.9	Very high	87 Å²	87	79.9 Å²	79.9	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-57.1	-33	168.4	-168.7	169.2	0	0	0	111.8	K22 I23 I28 V109	I19-K22 WeakPolarHBondContact O-CB 3.35Å; I19-K22 PolarHBondContact O-N 3.33Å; I19-I23 WeakPolarHBondContact O-CG1 3.2Å; I19-I23 PolarHBondContact O-N 3.15Å; I19-I23 VanDerWaalsContact O-N 3.09Å; I19-I28 HydrophobicContact CD1-CD1 4.24Å; I19-I28 HydrophobicContact CG1-CD1 3.56Å; I19-V109 HydrophobicContact CG2-CG1 4.01Å; I19-V109 HydrophobicContact CG2-CG2 3.92Å
20	F	97.3	Very high	93.2	Very high	15 Å²	15	72.2 Å²	72.2	7%	0.066	40%	0.4	C	S	.	.	H	α-helix	trans	-72.2	-33.2	176.5	-65.6	-11	0	0	0	112.4	T18 K22 I23 I24 F42 L54 I56 V109 H111 H113	T18-F20 PolarHBondContact O-N 3.29Å; T18-F20 PolarHBondContact OG1-N 3.09Å; T18-F20 VanDerWaalsContact OG1-N 3.13Å; F20-K22 VanDerWaalsContact C-N 3.28Å; F20-K22 PolarHBondContact O-N 3.15Å; F20-I23 HydrophobicContact CD1-CD1 4.07Å; F20-I23 PolarHBondContact O-N 3.42Å; F20-I24 VanDerWaalsContact O-CG1 3.32Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 2.88Å; F20-F42 AromaticContact CD1-CZ 3.89Å; F20-F42 HydrophobicContact CD1-CZ 3.89Å; F20-F42 HydrophobicContact CE1-CE2 4.33Å; F20-F42 AromaticContact CE1-CZ 3.89Å; F20-F42 HydrophobicContact CE1-CZ 3.89Å; F20-F42 HydrophobicContact CG-CZ 4.46Å; F20-F42 HydrophobicContact CZ-CZ 4.46Å; F20-L54 HydrophobicContact CE1-CD1 4.09Å; F20-L54 HydrophobicContact CE2-CD1 4.41Å; F20-L54 HydrophobicContact CZ-CD1 3.63Å; F20-I56 HydrophobicContact CB-CD1 3.77Å; F20-I56 HydrophobicContact CD2-CD1 4.48Å; F20-I56 HydrophobicContact CD2-CG2 4.05Å; F20-I56 HydrophobicContact CE2-CG2 4.3Å; F20-I56 HydrophobicContact CG-CD1 4.21Å; F20-V109 HydrophobicContact CD1-CG1 4.41Å; F20-V109 HydrophobicContact CD2-CB 4.29Å; F20-V109 HydrophobicContact CD2-CG1 3.74Å; F20-V109 HydrophobicContact CE1-CG1 4.47Å; F20-V109 HydrophobicContact CE1-CG2 4.26Å; F20-V109 HydrophobicContact CE2-CB 3.8Å; F20-V109 HydrophobicContact CE2-CG1 3.78Å; F20-V109 HydrophobicContact CE2-CG2 4.27Å; F20-V109 HydrophobicContact CG-CG1 4.04Å; F20-V109 HydrophobicContact CZ-CB 3.97Å; F20-V109 HydrophobicContact CZ-CG1 4.16Å; F20-V109 HydrophobicContact CZ-CG2 3.91Å; F20-H111 HydrophobicContact CB-CB 4.21Å; F20-H111 HydrophobicContact CD2-CB 3.89Å; F20-H113 HydrophobicContact CD2-CB 4.46Å; F20-H113 HydrophobicContact CE2-CB 3.75Å; F20-H113 AromaticContact CE2-CG 3.66Å; F20-H113 AromaticContact CE2-ND1 3.59Å
21	S	96.9	Very high	93.6	Very high	14 Å²	14	71.2 Å²	71.2	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-59.2	-41.4	169.5	-47.8	0	0	0	0	111.3	T18 I23 I24 N25	T18-S21 PolarHBondContact N-OG 3.17Å; T18-S21 WeakPolarHBondContact O-CB 3.46Å; T18-S21 PolarHBondContact O-N 3.28Å; T18-S21 VanDerWaalsContact O-N 3.14Å; T18-S21 PolarHBondContact OG1-N 2.91Å; T18-S21 PolarHBondContact OG1-OG 3.48Å; S21-I23 PolarHBondContact O-N 3.33Å; S21-I24 PolarHBondContact O-N 3.16Å; S21-N25 WeakPolarHBondContact O-CB 3.35Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.13Å
22	K	97.3	Very high	94.1	Very high	91 Å²	91	72.5 Å²	72.5	40%	0.396	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-36.4	175.9	-61	-169.8	176.9	-175.6	0	112.8	T18 I19 F20 K26 E27 I28	T18-K22 PolarHBondContact O-N 2.94Å; I19-K22 WeakPolarHBondContact O-CB 3.35Å; I19-K22 PolarHBondContact O-N 3.33Å; F20-K22 VanDerWaalsContact C-N 3.28Å; F20-K22 PolarHBondContact O-N 3.15Å; K22-K26 PolarHBondContact O-N 3.02Å; K22-E27 HydrophobicContact CB-CB 4.14Å; K22-E27 WeakPolarHBondContact CG-OE2 3.37Å; K22-E27 PolarHBondContact O-N 3.3Å; K22-I28 HydrophobicContact CB-CD1 3.93Å; K22-I28 HydrophobicContact CB-CG1 3.84Å; K22-I28 HydrophobicContact CB-CG2 4.45Å; K22-I28 PolarHBondContact O-N 3.45Å
23	I	98	Very high	94.8	Very high	13 Å²	13	69 Å²	69	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-45.6	173.4	-66.5	174.1	0	0	0	110.7	I19 F20 S21 N25 K26 I28 A30 L40 F42	I19-I23 WeakPolarHBondContact O-CG1 3.2Å; I19-I23 PolarHBondContact O-N 3.15Å; I19-I23 VanDerWaalsContact O-N 3.09Å; F20-I23 HydrophobicContact CD1-CD1 4.07Å; F20-I23 PolarHBondContact O-N 3.42Å; S21-I23 PolarHBondContact O-N 3.33Å; I23-N25 VanDerWaalsContact C-N 3.3Å; I23-N25 PolarHBondContact O-N 2.96Å; I23-K26 PolarHBondContact O-N 2.93Å; I23-K26 VanDerWaalsContact O-N 3.07Å; I23-I28 HydrophobicContact CG1-CD1 3.79Å; I23-I28 HydrophobicContact CG1-CG1 3.72Å; I23-A30 HydrophobicContact CD1-CB 4.22Å; I23-A30 HydrophobicContact CG1-CB 4.24Å; I23-A30 HydrophobicContact CG2-CB 3.56Å; I23-L40 HydrophobicContact CG2-CD2 3.62Å; I23-F42 HydrophobicContact CD1-CD2 4.24Å; I23-F42 HydrophobicContact CD1-CE2 3.68Å; I23-F42 HydrophobicContact CD1-CZ 3.85Å; I23-F42 HydrophobicContact CG2-CD1 4.21Å; I23-F42 HydrophobicContact CG2-CE1 4.3Å; I23-F42 HydrophobicContact CG2-CG 4.44Å
24	I	98.1	Very high	95.4	Very high	24 Å²	24	67.2 Å²	67.2	12%	0.123	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-45.8	177.2	-71.1	160.3	0	0	0	110.3	F20 S21 K26 L40 I56 K58	F20-I24 VanDerWaalsContact O-CG1 3.32Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 2.88Å; S21-I24 PolarHBondContact O-N 3.16Å; I24-K26 WeakPolarHBondContact O-CE 3.39Å; I24-K26 PolarHBondContact O-N 2.7Å; I24-L40 HydrophobicContact CG1-CD2 4.41Å; I24-I56 HydrophobicContact CD1-CD1 3.67Å; I24-I56 HydrophobicContact CD1-CG1 4.46Å; I24-I56 HydrophobicContact CG1-CD1 3.75Å; I24-K58 HydrophobicContact CG2-CG 4.19Å
25	N	97.5	Very high	96.2	Very high	98 Å²	98	67.5 Å²	67.5	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.3	179.1	-66.8	-11.9	0	0	0	114.3	S21 I23 E27	S21-N25 WeakPolarHBondContact O-CB 3.35Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.13Å; I23-N25 VanDerWaalsContact C-N 3.3Å; I23-N25 PolarHBondContact O-N 2.96Å; N25-E27 HydrophobicContact CB-CG 3.87Å; N25-E27 WeakPolarHBondContact CB-OE1 3.41Å; N25-E27 PolarHBondContact ND2-OE1 3.16Å; N25-E27 PolarHBondContact O-N 2.94Å
26	K	97.3	Very high	97	Very high	97 Å²	97	60.4 Å²	60.4	42%	0.422	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	25.3	-175.5	-39.7	-59.4	171.9	-171.2	0	113.9	K22 I23 I24 I28 I32 E35	K22-K26 PolarHBondContact O-N 3.02Å; I23-K26 PolarHBondContact O-N 2.93Å; I23-K26 VanDerWaalsContact O-N 3.07Å; I24-K26 WeakPolarHBondContact O-CE 3.39Å; I24-K26 PolarHBondContact O-N 2.7Å; K26-I28 VanDerWaalsContact C-N 3.3Å; K26-I32 HydrophobicContact CD-CD1 4.02Å; K26-E35 IonicContact NZ-OE1 3.06Å; K26-E35 PolarHBondContact NZ-OE1 3.49Å; K26-E35 IonicContact NZ-OE2 2.68Å; K26-E35 PolarHBondContact NZ-OE2 3.35Å
27	E	97.7	Very high	97.4	Very high	120 Å²	120	66.5 Å²	66.5	56%	0.561	35%	0.353	S	S	*	.	S	Bend	trans	-73.7	-26	175	-67.4	169.9	-148.9	0	0	111.7	K22 N25	K22-E27 HydrophobicContact CB-CB 4.14Å; K22-E27 WeakPolarHBondContact CG-OE2 3.37Å; K22-E27 PolarHBondContact O-N 3.3Å; N25-E27 HydrophobicContact CB-CG 3.87Å; N25-E27 WeakPolarHBondContact CB-OE1 3.41Å; N25-E27 PolarHBondContact ND2-OE1 3.16Å; N25-E27 PolarHBondContact O-N 2.94Å
28	I	97	Very high	97.7	Very high	59 Å²	59	65.8 Å²	65.8	30%	0.303	34%	0.344	S	S	.	.	S	Bend	trans	-130.6	149	173.2	62.4	176.2	0	0	0	110.1	I19 K22 I23 K26	I19-I28 HydrophobicContact CD1-CD1 4.24Å; I19-I28 HydrophobicContact CG1-CD1 3.56Å; K22-I28 HydrophobicContact CB-CD1 3.93Å; K22-I28 HydrophobicContact CB-CG1 3.84Å; K22-I28 HydrophobicContact CB-CG2 4.45Å; K22-I28 PolarHBondContact O-N 3.45Å; I23-I28 HydrophobicContact CG1-CD1 3.79Å; I23-I28 HydrophobicContact CG1-CG1 3.72Å; K26-I28 VanDerWaalsContact C-N 3.3Å
29	P	96.7	Very high	97.8	Very high	131 Å²	131	64.9 Å²	64.9	85%	0.851	34%	0.338	S	S	*	.			trans	-71.2	146	-178.7	29.8	-35.3	0	0	0	111.7
30	A	97.8	Very high	98	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	32%	0.317	S	S	.	.			trans	-146.1	150	166.1	0	0	0	0	0	108.7	I23 I32 F42	I23-A30 HydrophobicContact CD1-CB 4.22Å; I23-A30 HydrophobicContact CG1-CB 4.24Å; I23-A30 HydrophobicContact CG2-CB 3.56Å; A30-I32 VanDerWaalsContact C-N 3.35Å; A30-I32 HydrophobicContact CB-CG1 4.35Å; A30-I32 PolarHBondContact O-N 2.75Å; A30-F42 HydrophobicContact CB-CB 4.09Å; A30-F42 HydrophobicContact CB-CD2 4.16Å; A30-F42 HydrophobicContact CB-CG 4.21Å
31	D	98.3	Very high	98	Very high	88 Å²	88	60 Å²	60	47%	0.471	31%	0.314	S	S	.	.			trans	-78.4	88.1	171.7	-176.3	7.8	0	0	0	109.2	F42 R43	D31-F42 CarbonylContact O-C 3.55Å; D31-F42 WeakPolarHBondContact O-CA 3.33Å; D31-F42 VanDerWaalsContact O-CB 3.25Å; D31-F42 WeakPolarHBondContact O-CB 3.34Å; D31-R43 HydrophobicContact CB-CB 4.15Å; D31-R43 HydrophobicContact CB-CG 4.06Å; D31-R43 PolarHBondContact O-N 2.65Å; D31-R43 WeakPolarHBondContact OD2-CD 3.31Å; D31-R43 WeakPolarHBondContact OD2-CG 3.46Å; D31-R43 IonicContact OD2-CZ 3.91Å; D31-R43 IonicContact OD2-NE 3.02Å; D31-R43 PolarHBondContact OD2-NE 3.2Å
32	I	98.5	Very high	98.1	Very high	60 Å²	60	59.7 Å²	59.7	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.8	-177.6	-64.3	159.8	0	0	0	109.4	K26 A30 Y34 E35 L40 A41 F42	K26-I32 HydrophobicContact CD-CD1 4.02Å; A30-I32 VanDerWaalsContact C-N 3.35Å; A30-I32 HydrophobicContact CB-CG1 4.35Å; A30-I32 PolarHBondContact O-N 2.75Å; I32-Y34 WeakPolarHBondContact CG2-O 3.37Å; I32-E35 HydrophobicContact CG2-CB 4.31Å; I32-L40 HydrophobicContact CD1-CD1 4.17Å; I32-L40 HydrophobicContact CD1-CD2 4.48Å; I32-L40 HydrophobicContact CG1-CD1 4.13Å; I32-L40 HydrophobicContact CG1-CD2 4.29Å; I32-L40 HydrophobicContact CG1-CG 4.43Å; I32-L40 HydrophobicContact CG2-CD1 3.65Å; I32-L40 HydrophobicContact CG2-CG 4.37Å; I32-A41 WeakPolarHBondContact CA-O 3.36Å; I32-F42 HydrophobicContact CG1-CB 4.29Å
33	I	98.6	Very high	98.2	Very high	37 Å²	37	59.4 Å²	59.4	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-10.6	-178	62	178.6	0	0	0	112.8	A41 R43 F53 V85 E89	I33-A41 HydrophobicContact CG1-CB 4Å; I33-A41 WeakPolarHBondContact CG1-O 3.48Å; I33-A41 PolarHBondContact N-O 2.95Å; I33-R43 HydrophobicContact CG2-CG 4.19Å; I33-F53 HydrophobicContact CD1-CB 3.62Å; I33-F53 HydrophobicContact CD1-CD1 4.02Å; I33-F53 HydrophobicContact CD1-CD2 3.96Å; I33-F53 HydrophobicContact CD1-CG 3.62Å; I33-V85 HydrophobicContact CD1-CG1 3.42Å; I33-V85 VanDerWaalsContact CD1-CG1 3.42Å; I33-V85 HydrophobicContact CG1-CG1 3.89Å; I33-E89 HydrophobicContact CD1-CG 4.5Å
34	Y	98.8	Very high	98.2	Very high	39 Å²	39	60 Å²	60	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	143.2	172.7	-176.7	-88.7	0	0	0	110.4	I32 D36 A41 V81 V85	I32-Y34 WeakPolarHBondContact CG2-O 3.37Å; Y34-D36 HydrophobicContact CE1-CB 4.01Å; Y34-D36 WeakPolarHBondContact CE1-OD2 3.5Å; Y34-D36 PolarHBondContact OH-OD2 2.91Å; Y34-A41 PolarHBondContact N-O 3.42Å; Y34-A41 PolarHBondContact O-N 3.07Å; Y34-V81 HydrophobicContact CD1-CG1 3.62Å; Y34-V81 HydrophobicContact CE1-CB 4.43Å; Y34-V81 HydrophobicContact CE1-CG1 3.72Å; Y34-V81 HydrophobicContact CE1-CG2 3.76Å; Y34-V81 HydrophobicContact CG-CG1 4.09Å; Y34-V85 HydrophobicContact CD2-CG2 4.05Å; Y34-V85 HydrophobicContact CG-CG2 3.96Å
35	E	98.7	Very high	98.1	Very high	84 Å²	84	65.9 Å²	65.9	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	136.5	171.5	-172.4	161	-167.3	0	0	109.9	K26 I32 L40 K58	K26-E35 IonicContact NZ-OE1 3.06Å; K26-E35 PolarHBondContact NZ-OE1 3.49Å; K26-E35 IonicContact NZ-OE2 2.68Å; K26-E35 PolarHBondContact NZ-OE2 3.35Å; I32-E35 HydrophobicContact CG2-CB 4.31Å; E35-L40 HydrophobicContact CB-CD1 3.68Å; E35-L40 HydrophobicContact CG-CD1 3.54Å; E35-L40 WeakPolarHBondContact OE2-CD1 3.49Å; E35-K58 WeakPolarHBondContact OE1-CE 3.5Å; E35-K58 IonicContact OE1-NZ 4Å; E35-K58 PolarHBondContact OE1-NZ 3.27Å
36	D	98.6	Very high	98	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.193	32%	0.323	C	S	.	.			trans	-140	-165.9	168	66.6	16.1	0	0	0	110.3	Y34 D38 C39 K58 H77	Y34-D36 HydrophobicContact CE1-CB 4.01Å; Y34-D36 WeakPolarHBondContact CE1-OD2 3.5Å; Y34-D36 PolarHBondContact OH-OD2 2.91Å; D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 3.11Å; D36-C39 PolarHBondContact N-O 3.28Å; D36-C39 PolarHBondContact OD1-N 3.32Å; D36-C39 PolarHBondContact OD1-SG 3.13Å; D36-K58 WeakPolarHBondContact O-CE 3.47Å; D36-K58 PolarHBondContact O-NZ 3.43Å; D36-H77 IonicContact OD1-NE2 3.37Å; D36-H77 IonicContact OD2-CD2 3.94Å; D36-H77 IonicContact OD2-CE1 3.13Å; D36-H77 PolarHBondContact OD2-CE1 3.14Å; D36-H77 IonicContact OD2-NE2 2.7Å; D36-H77 PolarHBondContact OD2-NE2 2.83Å
37	D	98.3	Very high	98	Very high	153 Å²	153	61.5 Å²	61.5	82%	0.818	33%	0.328	S	S	*	.	S	Bend	trans	-69	-24.1	-177.9	-67.2	-24.6	0	0	0	113.3
38	D	98.5	Very high	98	Very high	81 Å²	81	61.4 Å²	61.4	43%	0.433	33%	0.327	S	S	.	.	S	Bend	trans	-106	-28	-170.5	-74.8	-45.1	0	0	0	113.2	D36 K58 L74	D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 3.11Å; D38-K58 PolarHBondContact O-N 3.24Å; D38-L74 HydrophobicContact CB-CD1 3.94Å
39	C	98.7	Very high	98.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	171.4	-170.2	74.5	0	0	0	0	114.5	D36 I56 L78	D36-C39 PolarHBondContact N-O 3.28Å; D36-C39 PolarHBondContact OD1-N 3.32Å; D36-C39 PolarHBondContact OD1-SG 3.13Å; C39-I56 CarbonylContact C-O 3.52Å; C39-I56 WeakPolarHBondContact CA-O 3.17Å; C39-I56 WeakPolarHBondContact CB-O 3.21Å; C39-L78 HydrophobicContact CB-CD2 3.43Å; C39-L78 VanDerWaalsContact CB-CD2 3.43Å
40	L	98.7	Very high	98.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.5	176.8	-170.4	79.4	0	0	0	108.8	I23 I24 I32 E35 F42 V55 I56	I23-L40 HydrophobicContact CG2-CD2 3.62Å; I24-L40 HydrophobicContact CG1-CD2 4.41Å; I32-L40 HydrophobicContact CD1-CD1 4.17Å; I32-L40 HydrophobicContact CD1-CD2 4.48Å; I32-L40 HydrophobicContact CG1-CD1 4.13Å; I32-L40 HydrophobicContact CG1-CD2 4.29Å; I32-L40 HydrophobicContact CG1-CG 4.43Å; I32-L40 HydrophobicContact CG2-CD1 3.65Å; I32-L40 HydrophobicContact CG2-CG 4.37Å; E35-L40 HydrophobicContact CB-CD1 3.68Å; E35-L40 HydrophobicContact CG-CD1 3.54Å; E35-L40 WeakPolarHBondContact OE2-CD1 3.49Å; L40-F42 HydrophobicContact CD2-CD1 3.88Å; L40-F42 HydrophobicContact CD2-CE1 4.37Å; L40-F42 HydrophobicContact CG-CD1 4.24Å; L40-V55 WeakPolarHBondContact O-CA 3.16Å; L40-I56 HydrophobicContact CB-CG1 4.04Å; L40-I56 PolarHBondContact N-O 2.9Å; L40-I56 PolarHBondContact O-N 2.79Å
41	A	98.9	Very high	98.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.6	166.3	0	0	0	0	0	111.6	I32 I33 Y34 F53 L54 V55 V85	I32-A41 WeakPolarHBondContact CA-O 3.36Å; I33-A41 HydrophobicContact CG1-CB 4Å; I33-A41 WeakPolarHBondContact CG1-O 3.48Å; I33-A41 PolarHBondContact N-O 2.95Å; Y34-A41 PolarHBondContact N-O 3.42Å; Y34-A41 PolarHBondContact O-N 3.07Å; A41-F53 HydrophobicContact CB-CD2 4.34Å; A41-L54 CarbonylContact C-O 3.52Å; A41-L54 WeakPolarHBondContact CA-O 3.44Å; A41-L54 WeakPolarHBondContact CB-O 3.17Å; A41-V55 HydrophobicContact CB-CG2 3.94Å; A41-V85 HydrophobicContact CB-CG2 4.37Å
42	F	98.8	Very high	98.2	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155	-178.6	58.9	-84.2	0	0	0	111.6	F20 I23 A30 D31 I32 L40 F53 L54 I56	F20-F42 AromaticContact CD1-CZ 3.89Å; F20-F42 HydrophobicContact CD1-CZ 3.89Å; F20-F42 HydrophobicContact CE1-CE2 4.33Å; F20-F42 AromaticContact CE1-CZ 3.89Å; F20-F42 HydrophobicContact CE1-CZ 3.89Å; F20-F42 HydrophobicContact CG-CZ 4.46Å; F20-F42 HydrophobicContact CZ-CZ 4.46Å; I23-F42 HydrophobicContact CD1-CD2 4.24Å; I23-F42 HydrophobicContact CD1-CE2 3.68Å; I23-F42 HydrophobicContact CD1-CZ 3.85Å; I23-F42 HydrophobicContact CG2-CD1 4.21Å; I23-F42 HydrophobicContact CG2-CE1 4.3Å; I23-F42 HydrophobicContact CG2-CG 4.44Å; A30-F42 HydrophobicContact CB-CB 4.09Å; A30-F42 HydrophobicContact CB-CD2 4.16Å; A30-F42 HydrophobicContact CB-CG 4.21Å; D31-F42 CarbonylContact O-C 3.55Å; D31-F42 WeakPolarHBondContact O-CA 3.33Å; D31-F42 VanDerWaalsContact O-CB 3.25Å; D31-F42 WeakPolarHBondContact O-CB 3.34Å; I32-F42 HydrophobicContact CG1-CB 4.29Å; L40-F42 HydrophobicContact CD2-CD1 3.88Å; L40-F42 HydrophobicContact CD2-CE1 4.37Å; L40-F42 HydrophobicContact CG-CD1 4.24Å; F42-F53 CarbonylContact O-C 3.47Å; F42-F53 WeakPolarHBondContact O-CA 3.48Å; F42-F53 WeakPolarHBondContact O-CB 3.42Å; F42-L54 HydrophobicContact CE1-CB 4.33Å; F42-L54 HydrophobicContact CE2-CB 4.34Å; F42-L54 HydrophobicContact CE2-CD1 3.9Å; F42-L54 HydrophobicContact CE2-CG 4.41Å; F42-L54 HydrophobicContact CZ-CB 4.08Å; F42-L54 HydrophobicContact CZ-CD1 3.91Å; F42-L54 HydrophobicContact CZ-CG 4.49Å; F42-L54 PolarHBondContact N-O 2.85Å; F42-L54 PolarHBondContact O-N 2.92Å; F42-I56 HydrophobicContact CE1-CD1 3.68Å; F42-I56 HydrophobicContact CE1-CG1 3.96Å; F42-I56 HydrophobicContact CE1-CG2 4.03Å; F42-I56 HydrophobicContact CZ-CD1 4.38Å; F42-I56 HydrophobicContact CZ-CG2 4.39Å
43	R	98.6	Very high	98.2	Very high	86 Å²	86	50 Å²	50	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.6	179.8	-58.2	-165.3	-171.5	-79.3	-12.5	111.5	D31 I33 E89	D31-R43 HydrophobicContact CB-CB 4.15Å; D31-R43 HydrophobicContact CB-CG 4.06Å; D31-R43 PolarHBondContact O-N 2.65Å; D31-R43 WeakPolarHBondContact OD2-CD 3.31Å; D31-R43 WeakPolarHBondContact OD2-CG 3.46Å; D31-R43 IonicContact OD2-CZ 3.91Å; D31-R43 IonicContact OD2-NE 3.02Å; D31-R43 PolarHBondContact OD2-NE 3.2Å; I33-R43 HydrophobicContact CG2-CG 4.19Å; R43-E89 IonicContact CZ-OE1 3.88Å; R43-E89 IonicContact CZ-OE2 3.85Å; R43-E89 IonicContact NH1-OE1 3.75Å; R43-E89 IonicContact NH1-OE2 2.79Å; R43-E89 PolarHBondContact NH1-OE2 2.93Å; R43-E89 IonicContact NH2-OE1 2.71Å; R43-E89 PolarHBondContact NH2-OE1 3.28Å; R43-E89 IonicContact NH2-OE2 3.24Å; R43-E89 PolarHBondContact NH2-OE2 2.96Å; R43-E89 VanDerWaalsContact NH2-OE2 3.13Å
44	D	98.2	Very high	98.2	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.134	26%	0.255	C	S	.	.			trans	-71.6	135.6	174.2	-168.4	-68.1	0	0	0	109.9	S46 H52 L54	D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 VanDerWaalsContact OD1-CA 3.31Å; D44-S46 WeakPolarHBondContact OD1-CA 2.95Å; D44-S46 PolarHBondContact OD1-N 3.2Å; D44-H52 HydrophobicContact CB-CB 4.33Å; D44-H52 WeakPolarHBondContact CB-ND1 3.4Å; D44-H52 VanDerWaalsContact CG-CE1 3.43Å; D44-H52 PolarHBondContact N-O 3.22Å; D44-H52 IonicContact OD1-ND1 3.9Å; D44-H52 IonicContact OD2-CE1 3.73Å; D44-H52 PolarHBondContact OD2-CE1 2.84Å; D44-H52 VanDerWaalsContact OD2-CE1 3.24Å; D44-H52 IonicContact OD2-ND1 3.2Å; D44-H52 IonicContact OD2-NE2 2.65Å; D44-L54 HydrophobicContact CB-CG 4.41Å
45	I	96.4	Very high	98.2	Very high	147 Å²	147	46.7 Å²	46.7	75%	0.754	25%	0.248	S	C	*	.	S	Bend	trans	-74.5	-12.7	-178.7	61	165.7	0	0	0	113.4
46	S	95.6	Very high	98.2	Very high	24 Å²	24	42.7 Å²	42.7	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-130.4	64.1	179.7	-67.1	0	0	0	0	109.7	D44 Q48	D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 VanDerWaalsContact OD1-CA 3.31Å; D44-S46 WeakPolarHBondContact OD1-CA 2.95Å; D44-S46 PolarHBondContact OD1-N 3.2Å; S46-Q48 PolarHBondContact O-N 3.37Å; S46-Q48 PolarHBondContact O-NE2 3.29Å
47	P	97.2	Very high	98.2	Very high	80 Å²	80	41 Å²	41	52%	0.519	22%	0.22	S	C	.	.			trans	-60.7	134.1	-170.4	26.1	-35.6	0	0	0	112.8	H52	P47-H52 WeakPolarHBondContact CA-ND1 3.5Å; P47-H52 HydrophobicContact CB-CB 3.84Å
48	Q	97.3	Very high	98.2	Very high	117 Å²	117	36.9 Å²	36.9	55%	0.547	20%	0.195	S	C	.	.	S	Bend	trans	-102.4	2.5	177.6	-57.7	-56.3	-53.8	0	0	112.8	S46 H52 L117 R120	S46-Q48 PolarHBondContact O-N 3.37Å; S46-Q48 PolarHBondContact O-NE2 3.29Å; Q48-H52 PolarHBondContact N-ND1 2.85Å; Q48-L117 HydrophobicContact CB-CD2 3.81Å; Q48-R120 PolarHBondContact O-NE 3.16Å; Q48-R120 VanDerWaalsContact O-NE 3.15Å; Q48-R120 PolarHBondContact O-NH2 3.39Å
49	A	98.2	Very high	98.2	Very high	11 Å²	11	37.8 Å²	37.8	9%	0.091	20%	0.195	C	C	.	.	S	Bend	trans	-153	161.8	176.5	0	0	0	0	0	109.3	T51 L117 G118 R120	A49-T51 PolarHBondContact O-N 2.91Å; A49-T51 VanDerWaalsContact O-N 3.16Å; A49-L117 HydrophobicContact CB-CB 4.04Å; A49-L117 HydrophobicContact CB-CD2 4.4Å; A49-G118 WeakPolarHBondContact CB-O 3.41Å; A49-R120 HydrophobicContact CB-CG 4.23Å
50	P	98.3	Very high	98	Very high	97 Å²	97	41.5 Å²	41.5	63%	0.63	21%	0.213	S	C	*	.	S	Bend	trans	-51.3	-37.6	177.8	-30.8	37.9	0	0	0	113.6	G118 R120	P50-G118 WeakPolarHBondContact CD-O 3.49Å; P50-R120 HydrophobicContact CG-CB 4.38Å
51	T	98.7	Very high	98	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.104	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.9	164.9	-54.2	0	0	0	0	108.4	A49 F53 E89 L91 L117 G118	A49-T51 PolarHBondContact O-N 2.91Å; A49-T51 VanDerWaalsContact O-N 3.16Å; T51-F53 HydrophobicContact CG2-CD1 3.93Å; T51-F53 HydrophobicContact CG2-CE1 4.22Å; T51-E89 HydrophobicContact CG2-CB 4Å; T51-E89 HydrophobicContact CG2-CG 4.27Å; T51-L91 HydrophobicContact CG2-CD1 3.9Å; T51-L91 HydrophobicContact CG2-CD2 4.33Å; T51-L91 HydrophobicContact CG2-CG 4.34Å; T51-L117 WeakPolarHBondContact O-CA 3.37Å; T51-G118 PolarHBondContact N-O 3.43Å; T51-G118 VanDerWaalsContact N-O 3.09Å; T51-G118 PolarHBondContact O-N 3Å
52	H	98.8	Very high	97.9	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	115.9	171.5	-172.7	-158.6	0	0	0	109.5	D44 P47 Q48 H115 V116	D44-H52 HydrophobicContact CB-CB 4.33Å; D44-H52 WeakPolarHBondContact CB-ND1 3.4Å; D44-H52 VanDerWaalsContact CG-CE1 3.43Å; D44-H52 PolarHBondContact N-O 3.22Å; D44-H52 IonicContact OD1-ND1 3.9Å; D44-H52 IonicContact OD2-CE1 3.73Å; D44-H52 PolarHBondContact OD2-CE1 2.84Å; D44-H52 VanDerWaalsContact OD2-CE1 3.24Å; D44-H52 IonicContact OD2-ND1 3.2Å; D44-H52 IonicContact OD2-NE2 2.65Å; P47-H52 WeakPolarHBondContact CA-ND1 3.5Å; P47-H52 HydrophobicContact CB-CB 3.84Å; Q48-H52 PolarHBondContact N-ND1 2.85Å; H52-H115 AromaticContact CE1-ND1 3.43Å; H52-H115 PolarHBondContact CE1-ND1 3.28Å; H52-H115 AromaticContact NE2-CE1 3.99Å; H52-H115 AromaticContact NE2-CG 3.67Å; H52-H115 AromaticContact NE2-ND1 2.9Å; H52-H115 PolarHBondContact NE2-ND1 3.09Å; H52-V116 WeakPolarHBondContact CA-O 3.46Å
53	F	98.9	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	161	175.5	65.8	-93.2	0	0	0	110.6	I33 A41 F42 T51 V55 V85 A86 E89 V116	I33-F53 HydrophobicContact CD1-CB 3.62Å; I33-F53 HydrophobicContact CD1-CD1 4.02Å; I33-F53 HydrophobicContact CD1-CD2 3.96Å; I33-F53 HydrophobicContact CD1-CG 3.62Å; A41-F53 HydrophobicContact CB-CD2 4.34Å; F42-F53 CarbonylContact O-C 3.47Å; F42-F53 WeakPolarHBondContact O-CA 3.48Å; F42-F53 WeakPolarHBondContact O-CB 3.42Å; T51-F53 HydrophobicContact CG2-CD1 3.93Å; T51-F53 HydrophobicContact CG2-CE1 4.22Å; F53-V55 HydrophobicContact CD2-CG2 4.02Å; F53-V55 HydrophobicContact CE2-CG2 3.71Å; F53-V85 HydrophobicContact CD1-CG1 4.41Å; F53-V85 HydrophobicContact CD2-CG1 4.05Å; F53-V85 HydrophobicContact CE1-CG1 3.95Å; F53-V85 HydrophobicContact CE2-CB 3.76Å; F53-V85 HydrophobicContact CE2-CG1 3.53Å; F53-V85 HydrophobicContact CG-CG1 4.46Å; F53-V85 HydrophobicContact CZ-CB 3.7Å; F53-V85 HydrophobicContact CZ-CG1 3.47Å; F53-V85 VanDerWaalsContact CZ-CG1 3.47Å; F53-A86 HydrophobicContact CZ-CB 4.4Å; F53-E89 HydrophobicContact CE1-CG 4.41Å; F53-V116 HydrophobicContact CD1-CB 4.06Å; F53-V116 HydrophobicContact CD1-CG1 4.43Å; F53-V116 HydrophobicContact CD2-CB 4.05Å; F53-V116 HydrophobicContact CD2-CG2 4.11Å; F53-V116 HydrophobicContact CE1-CB 3.61Å; F53-V116 HydrophobicContact CE1-CG1 3.59Å; F53-V116 HydrophobicContact CE1-CG2 4.37Å; F53-V116 HydrophobicContact CE2-CB 3.61Å; F53-V116 HydrophobicContact CE2-CG1 4.18Å; F53-V116 HydrophobicContact CE2-CG2 3.47Å; F53-V116 VanDerWaalsContact CE2-CG2 3.47Å; F53-V116 HydrophobicContact CG-CB 4.26Å; F53-V116 HydrophobicContact CZ-CB 3.37Å; F53-V116 HydrophobicContact CZ-CG1 3.44Å; F53-V116 VanDerWaalsContact CZ-CG1 3.44Å; F53-V116 HydrophobicContact CZ-CG2 3.62Å; F53-V116 PolarHBondContact N-O 2.89Å; F53-V116 VanDerWaalsContact N-O 3.16Å; F53-V116 PolarHBondContact O-N 2.61Å
54	L	98.8	Very high	97.8	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.1	177.2	-53.4	-176.4	0	0	0	109.1	F20 A41 F42 D44 I56 L114 H115	F20-L54 HydrophobicContact CE1-CD1 4.09Å; F20-L54 HydrophobicContact CE2-CD1 4.41Å; F20-L54 HydrophobicContact CZ-CD1 3.63Å; A41-L54 CarbonylContact C-O 3.52Å; A41-L54 WeakPolarHBondContact CA-O 3.44Å; A41-L54 WeakPolarHBondContact CB-O 3.17Å; F42-L54 HydrophobicContact CE1-CB 4.33Å; F42-L54 HydrophobicContact CE2-CB 4.34Å; F42-L54 HydrophobicContact CE2-CD1 3.9Å; F42-L54 HydrophobicContact CE2-CG 4.41Å; F42-L54 HydrophobicContact CZ-CB 4.08Å; F42-L54 HydrophobicContact CZ-CD1 3.91Å; F42-L54 HydrophobicContact CZ-CG 4.49Å; F42-L54 PolarHBondContact N-O 2.85Å; F42-L54 PolarHBondContact O-N 2.92Å; D44-L54 HydrophobicContact CB-CG 4.41Å; L54-I56 HydrophobicContact CB-CG2 4.41Å; L54-L114 CarbonylContact C-O 3.13Å; L54-L114 WeakPolarHBondContact CA-O 3.37Å; L54-H115 HydrophobicContact CD2-CB 4.24Å; L54-H115 VanDerWaalsContact CD2-CE1 3.49Å; L54-H115 WeakPolarHBondContact CD2-CE1 3.35Å; L54-H115 WeakPolarHBondContact CD2-ND1 3.5Å
55	V	98.9	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.1	165.1	-175	0	0	0	0	108	L40 A41 F53 L78 V81 C82 H113 L114 V116	L40-V55 WeakPolarHBondContact O-CA 3.16Å; A41-V55 HydrophobicContact CB-CG2 3.94Å; F53-V55 HydrophobicContact CD2-CG2 4.02Å; F53-V55 HydrophobicContact CE2-CG2 3.71Å; V55-L78 HydrophobicContact CG1-CB 4.4Å; V55-L78 HydrophobicContact CG1-CD2 4Å; V55-V81 HydrophobicContact CG1-CB 4.17Å; V55-V81 HydrophobicContact CG1-CG1 3.79Å; V55-V81 HydrophobicContact CG2-CG1 4.28Å; V55-C82 VanDerWaalsContact CG2-SG 3.55Å; V55-H113 WeakPolarHBondContact O-CA 3.38Å; V55-L114 HydrophobicContact CB-CB 4.34Å; V55-L114 PolarHBondContact N-O 2.87Å; V55-L114 PolarHBondContact O-N 3.13Å; V55-V116 HydrophobicContact CG2-CG2 4.44Å
56	I	98.8	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.7	-175.9	70.1	169.4	0	0	0	110.9	F20 I24 C39 L40 F42 L54 H113	F20-I56 HydrophobicContact CB-CD1 3.77Å; F20-I56 HydrophobicContact CD2-CD1 4.48Å; F20-I56 HydrophobicContact CD2-CG2 4.05Å; F20-I56 HydrophobicContact CE2-CG2 4.3Å; F20-I56 HydrophobicContact CG-CD1 4.21Å; I24-I56 HydrophobicContact CD1-CD1 3.67Å; I24-I56 HydrophobicContact CD1-CG1 4.46Å; I24-I56 HydrophobicContact CG1-CD1 3.75Å; C39-I56 CarbonylContact C-O 3.52Å; C39-I56 WeakPolarHBondContact CA-O 3.17Å; C39-I56 WeakPolarHBondContact CB-O 3.21Å; L40-I56 HydrophobicContact CB-CG1 4.04Å; L40-I56 PolarHBondContact N-O 2.9Å; L40-I56 PolarHBondContact O-N 2.79Å; F42-I56 HydrophobicContact CE1-CD1 3.68Å; F42-I56 HydrophobicContact CE1-CG1 3.96Å; F42-I56 HydrophobicContact CE1-CG2 4.03Å; F42-I56 HydrophobicContact CZ-CD1 4.38Å; F42-I56 HydrophobicContact CZ-CG2 4.39Å; L54-I56 HydrophobicContact CB-CG2 4.41Å; I56-H113 HydrophobicContact CG2-CB 3.62Å
57	P	98.7	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.7	169.1	30.2	-30.3	0	0	0	110.5	K59 L74 L78 H111 L112	P57-K59 VanDerWaalsContact C-N 3.31Å; P57-K59 WeakPolarHBondContact CB-O 3.12Å; P57-K59 WeakPolarHBondContact CG-O 3.46Å; P57-L74 HydrophobicContact CB-CD1 4.26Å; P57-L74 HydrophobicContact CB-CD2 3.9Å; P57-L74 HydrophobicContact CB-CG 4.31Å; P57-L78 HydrophobicContact CB-CD1 4.19Å; P57-L78 HydrophobicContact CB-CD2 4.29Å; P57-L78 HydrophobicContact CG-CD1 4.21Å; P57-H111 PolarHBondContact O-NE2 3.43Å; P57-L112 WeakPolarHBondContact CD-O 3.48Å; P57-L112 HydrophobicContact CG-CB 4.21Å; P57-L112 HydrophobicContact CG-CD2 4.46Å
58	K	98.5	Very high	97.9	Very high	67 Å²	67	42 Å²	42	29%	0.291	23%	0.23	S	C	.	.	S	Bend	trans	-68.1	-34.6	167.2	-73.4	-177	171.4	-179	0	111.1	I24 E35 D36 D38 Q60	I24-K58 HydrophobicContact CG2-CG 4.19Å; E35-K58 WeakPolarHBondContact OE1-CE 3.5Å; E35-K58 IonicContact OE1-NZ 4Å; E35-K58 PolarHBondContact OE1-NZ 3.27Å; D36-K58 WeakPolarHBondContact O-CE 3.47Å; D36-K58 PolarHBondContact O-NZ 3.43Å; D38-K58 PolarHBondContact O-N 3.24Å; K58-Q60 PolarHBondContact O-N 2.88Å
59	K	97.2	Very high	97.9	Very high	100 Å²	100	41.5 Å²	41.5	44%	0.435	24%	0.24	S	C	.	.	S	Bend	trans	-64.7	127.6	169.2	-172.9	175.4	-175.3	-176.8	0	109.8	P57 I61 E70 H71 L74	P57-K59 VanDerWaalsContact C-N 3.31Å; P57-K59 WeakPolarHBondContact CB-O 3.12Å; P57-K59 WeakPolarHBondContact CG-O 3.46Å; K59-I61 HydrophobicContact CG-CG1 4.42Å; K59-I61 PolarHBondContact O-N 3.05Å; K59-I61 VanDerWaalsContact O-N 3.08Å; K59-E70 IonicContact NZ-OE2 3.49Å; K59-E70 PolarHBondContact NZ-OE2 3.47Å; K59-H71 WeakPolarHBondContact CE-NE2 3.24Å; K59-H71 PolarHBondContact NZ-NE2 3.22Å; K59-L74 HydrophobicContact CB-CD2 4.14Å
60	Q	95.6	Very high	97.9	Very high	79 Å²	79	47.5 Å²	47.5	37%	0.369	27%	0.266	S	S	.	.			trans	-73.2	103.1	178.5	-171.8	171.9	0.5	0	0	110.6	G16 K58	G16-Q60 PolarHBondContact O-NE2 3.45Å; K58-Q60 PolarHBondContact O-N 2.88Å
61	I	97.2	Very high	97.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.239	C	C	.	.			trans	-114.1	111.1	171	-58.9	172.9	0	0	0	106.1	K59 T63 A67 H71 L74 H111 L112	K59-I61 HydrophobicContact CG-CG1 4.42Å; K59-I61 PolarHBondContact O-N 3.05Å; K59-I61 VanDerWaalsContact O-N 3.08Å; I61-T63 WeakPolarHBondContact CG2-O 3.49Å; I61-T63 PolarHBondContact O-N 3.28Å; I61-A67 HydrophobicContact CG2-CB 4.38Å; I61-H71 HydrophobicContact CD1-CB 4.29Å; I61-H71 WeakPolarHBondContact CD1-CD2 3.38Å; I61-L74 HydrophobicContact CD1-CD2 3.93Å; I61-H111 CarbonylContact O-C 3.58Å; I61-L112 HydrophobicContact CB-CB 4.21Å; I61-L112 HydrophobicContact CG2-CB 4.38Å; I61-L112 HydrophobicContact CG2-CD2 4.42Å; I61-L112 WeakPolarHBondContact O-CB 3.32Å; I61-L112 PolarHBondContact O-N 3.19Å
62	P	97.1	Very high	97.9	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.143	27%	0.267	C	S	.	.			trans	-66	-41.3	-169.7	-26.2	34.7	0	0	0	115.1	H13 Q107 Y110 H111	H13-P62 VanDerWaalsContact NE2-CB 3.32Å; H13-P62 WeakPolarHBondContact NE2-CB 3.08Å; H13-P62 VanDerWaalsContact NE2-CG 3.26Å; H13-P62 WeakPolarHBondContact NE2-CG 3.13Å; P62-Q107 PolarHBondContact O-NE2 3.19Å; P62-Y110 WeakPolarHBondContact CA-O 3.47Å; P62-Y110 CarbonylContact O-C 3.6Å; P62-Y110 WeakPolarHBondContact O-CA 3.49Å; P62-H111 PolarHBondContact O-N 3.29Å
63	T	97.5	Very high	97.9	Very high	17 Å²	17	58 Å²	58	10%	0.104	30%	0.303	C	S	.	.	S	Bend	trans	-142	166.3	-175.7	65.9	0	0	0	0	109.7	I61 D65 S66 N101 Y110	I61-T63 WeakPolarHBondContact CG2-O 3.49Å; I61-T63 PolarHBondContact O-N 3.28Å; T63-D65 PolarHBondContact O-N 3.02Å; T63-D65 PolarHBondContact OG1-N 2.91Å; T63-S66 WeakPolarHBondContact O-CB 3.25Å; T63-S66 PolarHBondContact O-N 3.4Å; T63-S66 VanDerWaalsContact O-N 3.11Å; T63-S66 PolarHBondContact OG1-N 3.22Å; T63-S66 PolarHBondContact OG1-OG 2.85Å; T63-N101 WeakPolarHBondContact CB-OD1 3.34Å; T63-Y110 HydrophobicContact CG2-CD1 3.56Å; T63-Y110 HydrophobicContact CG2-CE1 3.75Å
64	L	97.8	Very high	97.8	Very high	76 Å²	76	59 Å²	59	40%	0.398	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.2	-35.8	173.2	-174.3	61.1	0	0	0	111.1	S66 A67 V99 N101 L112	L64-S66 PolarHBondContact O-N 2.76Å; L64-A67 VanDerWaalsContact O-CB 3.27Å; L64-A67 WeakPolarHBondContact O-CB 3.08Å; L64-A67 PolarHBondContact O-N 2.71Å; L64-V99 HydrophobicContact CB-CG1 4.24Å; L64-V99 HydrophobicContact CD2-CG1 4.21Å; L64-N101 HydrophobicContact CB-CB 4.43Å; L64-N101 PolarHBondContact N-OD1 2.87Å; L64-N101 VanDerWaalsContact N-OD1 3.09Å; L64-L112 HydrophobicContact CB-CD1 4.28Å; L64-L112 HydrophobicContact CD1-CD1 4.41Å
65	D	97.1	Very high	97.8	Very high	130 Å²	130	61 Å²	61	70%	0.695	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.2	174.6	-66.6	-22.6	0	0	0	113.8	T63 A67 N101	T63-D65 PolarHBondContact O-N 3.02Å; T63-D65 PolarHBondContact OG1-N 2.91Å; D65-A67 VanDerWaalsContact C-N 3.3Å; D65-N101 PolarHBondContact N-OD1 3.49Å; D65-N101 PolarHBondContact OD2-ND2 2.9Å
66	S	96.4	Very high	97.8	Very high	52 Å²	52	62.6 Å²	62.6	36%	0.364	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-84.1	-8.1	175.8	-54.9	0	0	0	0	112.6	T63 L64	T63-S66 WeakPolarHBondContact O-CB 3.25Å; T63-S66 PolarHBondContact O-N 3.4Å; T63-S66 VanDerWaalsContact O-N 3.11Å; T63-S66 PolarHBondContact OG1-N 3.22Å; T63-S66 PolarHBondContact OG1-OG 2.85Å; L64-S66 PolarHBondContact O-N 2.76Å
67	A	97.8	Very high	97.8	Very high	26 Å²	26	64.8 Å²	64.8	22%	0.215	35%	0.345	C	S	.	.			trans	-75.5	154.4	174.6	0	0	0	0	0	110.8	I61 L64 D65 H71 L75	I61-A67 HydrophobicContact CG2-CB 4.38Å; L64-A67 VanDerWaalsContact O-CB 3.27Å; L64-A67 WeakPolarHBondContact O-CB 3.08Å; L64-A67 PolarHBondContact O-N 2.71Å; D65-A67 VanDerWaalsContact C-N 3.3Å; A67-H71 HydrophobicContact CB-CB 4.42Å; A67-L75 HydrophobicContact CB-CD1 3.97Å
68	S	97.9	Very high	97.8	Very high	53 Å²	53	64.8 Å²	64.8	37%	0.371	35%	0.345	S	S	.	.			trans	-142.6	176.7	-176.2	73.7	0	0	0	0	108.7	E70 H71	S68-E70 PolarHBondContact O-N 2.82Å; S68-E70 VanDerWaalsContact O-N 3.14Å; S68-E70 WeakPolarHBondContact OG-CG 3.31Å; S68-E70 PolarHBondContact OG-N 3.46Å; S68-E70 PolarHBondContact OG-OE1 2.89Å; S68-H71 PolarHBondContact N-ND1 2.95Å; S68-H71 VanDerWaalsContact N-ND1 3.17Å; S68-H71 WeakPolarHBondContact O-CB 3.07Å; S68-H71 PolarHBondContact O-N 3.18Å; S68-H71 PolarHBondContact OG-ND1 3.35Å
69	S	97.7	Very high	97.8	Very high	107 Å²	107	66.4 Å²	66.4	75%	0.748	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-58.5	-25.4	177.3	52.7	0	0	0	0	113.4	H71 E72	S69-H71 PolarHBondContact O-N 2.89Å; S69-E72 WeakPolarHBondContact O-CB 3.37Å; S69-E72 PolarHBondContact O-N 3.06Å
70	E	98	Very high	97.9	Very high	138 Å²	138	67.5 Å²	67.5	65%	0.645	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.1	174.7	88.6	-164.9	117.3	0	0	112.6	K59 S68	K59-E70 IonicContact NZ-OE2 3.49Å; K59-E70 PolarHBondContact NZ-OE2 3.47Å; S68-E70 PolarHBondContact O-N 2.82Å; S68-E70 VanDerWaalsContact O-N 3.14Å; S68-E70 WeakPolarHBondContact OG-CG 3.31Å; S68-E70 PolarHBondContact OG-N 3.46Å; S68-E70 PolarHBondContact OG-OE1 2.89Å
71	H	98.4	Very high	98.1	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.051	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-96.7	-3.6	-176.2	-59.9	109.8	0	0	0	113	K59 I61 A67 S68 S69 K73 L74 L75	K59-H71 WeakPolarHBondContact CE-NE2 3.24Å; K59-H71 PolarHBondContact NZ-NE2 3.22Å; I61-H71 HydrophobicContact CD1-CB 4.29Å; I61-H71 WeakPolarHBondContact CD1-CD2 3.38Å; A67-H71 HydrophobicContact CB-CB 4.42Å; S68-H71 PolarHBondContact N-ND1 2.95Å; S68-H71 VanDerWaalsContact N-ND1 3.17Å; S68-H71 WeakPolarHBondContact O-CB 3.07Å; S68-H71 PolarHBondContact O-N 3.18Å; S68-H71 PolarHBondContact OG-ND1 3.35Å; S69-H71 PolarHBondContact O-N 2.89Å; H71-K73 PolarHBondContact O-N 3.41Å; H71-L74 WeakPolarHBondContact O-CA 3.48Å; H71-L74 WeakPolarHBondContact O-CB 3.32Å; H71-L74 PolarHBondContact O-N 3.47Å; H71-L75 HydrophobicContact CB-CG 4.33Å; H71-L75 WeakPolarHBondContact O-CG 3.19Å; H71-L75 PolarHBondContact O-N 3.38Å
72	E	98.3	Very high	98.2	Very high	147 Å²	147	63.7 Å²	63.7	69%	0.687	35%	0.348	S	S	*	.	H	α-helix	trans	-54	-48.8	-172.1	-174.7	179.5	163.7	0	0	112.7	S69 L74 L75 G76	S69-E72 WeakPolarHBondContact O-CB 3.37Å; S69-E72 PolarHBondContact O-N 3.06Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 2.91Å; E72-L75 PolarHBondContact O-N 3.04Å; E72-G76 PolarHBondContact O-N 3.47Å
73	K	98.5	Very high	98.2	Very high	185 Å²	185	65.3 Å²	65.3	80%	0.804	36%	0.36	S	S	*	.	H	α-helix	trans	-61.5	-41.8	177.5	-176.4	178.9	176.4	-171.8	0	112	H71 G76 H77	H71-K73 PolarHBondContact O-N 3.41Å; K73-G76 PolarHBondContact O-N 3.38Å; K73-H77 WeakPolarHBondContact O-CB 3.37Å; K73-H77 PolarHBondContact O-N 2.73Å
74	L	98.7	Very high	98.3	Very high	22 Å²	22	68.1 Å²	68.1	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-46.8	178.5	175.6	61.3	0	0	0	110.7	D38 P57 K59 I61 H71 E72 G76 H77 L78	D38-L74 HydrophobicContact CB-CD1 3.94Å; P57-L74 HydrophobicContact CB-CD1 4.26Å; P57-L74 HydrophobicContact CB-CD2 3.9Å; P57-L74 HydrophobicContact CB-CG 4.31Å; K59-L74 HydrophobicContact CB-CD2 4.14Å; I61-L74 HydrophobicContact CD1-CD2 3.93Å; H71-L74 WeakPolarHBondContact O-CA 3.48Å; H71-L74 WeakPolarHBondContact O-CB 3.32Å; H71-L74 PolarHBondContact O-N 3.47Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 2.91Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.27Å; L74-H77 WeakPolarHBondContact O-CA 3.36Å; L74-H77 VanDerWaalsContact O-CB 3.31Å; L74-H77 WeakPolarHBondContact O-CB 3.48Å; L74-H77 PolarHBondContact O-N 3.37Å; L74-H77 VanDerWaalsContact O-N 3.11Å; L74-L78 HydrophobicContact CD1-CD2 4.46Å; L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 3.02Å
75	L	98.6	Very high	98.3	Very high	46 Å²	46	64.6 Å²	64.6	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-42.5	177.6	-67.8	-179.2	0	0	0	112.1	A67 H71 E72 H77 L78 M79 L112	A67-L75 HydrophobicContact CB-CD1 3.97Å; H71-L75 HydrophobicContact CB-CG 4.33Å; H71-L75 WeakPolarHBondContact O-CG 3.19Å; H71-L75 PolarHBondContact O-N 3.38Å; E72-L75 PolarHBondContact O-N 3.04Å; L75-H77 VanDerWaalsContact C-N 3.34Å; L75-L78 HydrophobicContact CD2-CD1 4.36Å; L75-L78 PolarHBondContact O-N 3.16Å; L75-M79 PolarHBondContact O-N 3.27Å; L75-L112 HydrophobicContact CD2-CD2 3.5Å
76	G	98.7	Very high	98.4	Very high	35 Å²	35	58.4 Å²	58.4	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-42.8	172.8	0	0	0	0	0	112.2	E72 K73 L74 M79 L80	E72-G76 PolarHBondContact O-N 3.47Å; K73-G76 PolarHBondContact O-N 3.38Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.27Å; G76-M79 PolarHBondContact O-N 3.35Å; G76-L80 WeakPolarHBondContact O-CG 3.44Å; G76-L80 PolarHBondContact O-N 2.56Å; G76-L80 VanDerWaalsContact O-N 3.07Å
77	H	98.8	Very high	98.5	Very high	45 Å²	45	63.4 Å²	63.4	21%	0.208	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-46.7	175.1	-175.5	64.4	0	0	0	112.3	D36 K73 L74 L75 M79 L80 V81	D36-H77 IonicContact OD1-NE2 3.37Å; D36-H77 IonicContact OD2-CD2 3.94Å; D36-H77 IonicContact OD2-CE1 3.13Å; D36-H77 PolarHBondContact OD2-CE1 3.14Å; D36-H77 IonicContact OD2-NE2 2.7Å; D36-H77 PolarHBondContact OD2-NE2 2.83Å; K73-H77 WeakPolarHBondContact O-CB 3.37Å; K73-H77 PolarHBondContact O-N 2.73Å; L74-H77 WeakPolarHBondContact O-CA 3.36Å; L74-H77 VanDerWaalsContact O-CB 3.31Å; L74-H77 WeakPolarHBondContact O-CB 3.48Å; L74-H77 PolarHBondContact O-N 3.37Å; L74-H77 VanDerWaalsContact O-N 3.11Å; L75-H77 VanDerWaalsContact C-N 3.34Å; H77-M79 VanDerWaalsContact C-N 3.3Å; H77-M79 PolarHBondContact O-N 3.21Å; H77-L80 PolarHBondContact O-N 2.71Å; H77-L80 VanDerWaalsContact O-N 3.13Å; H77-V81 WeakPolarHBondContact O-CG2 3.12Å; H77-V81 PolarHBondContact O-N 3.43Å
78	L	98.8	Very high	98.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-42.9	176.7	-60.5	177.8	0	0	0	111.9	C39 V55 P57 L74 L75 V81 C82 L112 L114	C39-L78 HydrophobicContact CB-CD2 3.43Å; C39-L78 VanDerWaalsContact CB-CD2 3.43Å; V55-L78 HydrophobicContact CG1-CB 4.4Å; V55-L78 HydrophobicContact CG1-CD2 4Å; P57-L78 HydrophobicContact CB-CD1 4.19Å; P57-L78 HydrophobicContact CB-CD2 4.29Å; P57-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 HydrophobicContact CD1-CD2 4.46Å; L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 3.02Å; L75-L78 HydrophobicContact CD2-CD1 4.36Å; L75-L78 PolarHBondContact O-N 3.16Å; L78-V81 PolarHBondContact O-N 2.86Å; L78-C82 PolarHBondContact O-N 3.01Å; L78-C82 PolarHBondContact O-SG 3.21Å; L78-L112 HydrophobicContact CD1-CD2 4.16Å; L78-L114 HydrophobicContact CB-CD1 4.26Å; L78-L114 HydrophobicContact CB-CD2 3.98Å; L78-L114 HydrophobicContact CD1-CD1 3.98Å
79	M	98.8	Very high	98.5	Very high	101 Å²	101	68.5 Å²	68.5	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-38.9	177.5	-71.6	-66.1	-68.6	0	0	112.7	L75 G76 H77 C82 S83 V97 L114	L75-M79 PolarHBondContact O-N 3.27Å; G76-M79 PolarHBondContact O-N 3.35Å; H77-M79 VanDerWaalsContact C-N 3.3Å; H77-M79 PolarHBondContact O-N 3.21Å; M79-C82 WeakPolarHBondContact O-CB 3.38Å; M79-C82 PolarHBondContact O-N 2.92Å; M79-S83 PolarHBondContact O-N 3.17Å; M79-V97 HydrophobicContact SD-CG1 4.23Å; M79-L114 HydrophobicContact CG-CD2 4.21Å; M79-L114 HydrophobicContact SD-CD2 3.56Å; M79-L114 VanDerWaalsContact SD-CD2 3.56Å
80	L	98.8	Very high	98.6	Very high	123 Å²	123	66 Å²	66	64%	0.644	34%	0.34	S	S	*	.	H	α-helix	trans	-66.5	-41.4	175.2	-68.3	176.8	0	0	0	111.4	G76 H77 C82 S83 Q84	G76-L80 WeakPolarHBondContact O-CG 3.44Å; G76-L80 PolarHBondContact O-N 2.56Å; G76-L80 VanDerWaalsContact O-N 3.07Å; H77-L80 PolarHBondContact O-N 2.71Å; H77-L80 VanDerWaalsContact O-N 3.13Å; L80-C82 VanDerWaalsContact C-N 3.35Å; L80-C82 PolarHBondContact O-N 3.21Å; L80-S83 PolarHBondContact O-N 3.18Å; L80-Q84 PolarHBondContact O-N 3.06Å
81	V	98.8	Very high	98.6	Very high	1 Å²	1	60 Å²	60	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-40.3	175.1	171.9	0	0	0	0	111.1	Y34 V55 H77 L78 S83 Q84 V85	Y34-V81 HydrophobicContact CD1-CG1 3.62Å; Y34-V81 HydrophobicContact CE1-CB 4.43Å; Y34-V81 HydrophobicContact CE1-CG1 3.72Å; Y34-V81 HydrophobicContact CE1-CG2 3.76Å; Y34-V81 HydrophobicContact CG-CG1 4.09Å; V55-V81 HydrophobicContact CG1-CB 4.17Å; V55-V81 HydrophobicContact CG1-CG1 3.79Å; V55-V81 HydrophobicContact CG2-CG1 4.28Å; H77-V81 WeakPolarHBondContact O-CG2 3.12Å; H77-V81 PolarHBondContact O-N 3.43Å; L78-V81 PolarHBondContact O-N 2.86Å; V81-S83 VanDerWaalsContact C-N 3.3Å; V81-S83 PolarHBondContact O-N 3.11Å; V81-Q84 PolarHBondContact O-N 2.68Å; V81-V85 HydrophobicContact CG1-CG2 3.94Å; V81-V85 WeakPolarHBondContact O-CB 3.42Å; V81-V85 VanDerWaalsContact O-CG2 3.29Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 3.09Å
82	C	98.8	Very high	98.5	Very high	1 Å²	1	65 Å²	65	1%	0.007	35%	0.349	C	S	.	.	H	α-helix	trans	-53.3	-47.5	172.2	-70.1	0	0	0	0	111.9	V55 L78 M79 L80 A86 V97 L114 V116	V55-C82 VanDerWaalsContact CG2-SG 3.55Å; L78-C82 PolarHBondContact O-N 3.01Å; L78-C82 PolarHBondContact O-SG 3.21Å; M79-C82 WeakPolarHBondContact O-CB 3.38Å; M79-C82 PolarHBondContact O-N 2.92Å; L80-C82 VanDerWaalsContact C-N 3.35Å; L80-C82 PolarHBondContact O-N 3.21Å; C82-A86 WeakPolarHBondContact O-CB 3.47Å; C82-A86 PolarHBondContact O-N 3.47Å; C82-V97 HydrophobicContact CB-CG2 4.27Å; C82-L114 VanDerWaalsContact SG-CD2 3.5Å; C82-V116 HydrophobicContact CB-CG2 3.76Å; C82-V116 VanDerWaalsContact SG-CG2 3.58Å
83	S	98.6	Very high	98.4	Very high	56 Å²	56	64.2 Å²	64.2	39%	0.392	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-45.4	178.8	-177.1	0	0	0	0	112.6	M79 L80 V81 V85 A86 Q87 Y95	M79-S83 PolarHBondContact O-N 3.17Å; L80-S83 PolarHBondContact O-N 3.18Å; V81-S83 VanDerWaalsContact C-N 3.3Å; V81-S83 PolarHBondContact O-N 3.11Å; S83-V85 PolarHBondContact O-N 3.08Å; S83-A86 PolarHBondContact O-N 2.81Å; S83-Q87 PolarHBondContact O-N 2.79Å; S83-Y95 WeakPolarHBondContact CA-OH 3.35Å; S83-Y95 WeakPolarHBondContact CB-OH 3.32Å; S83-Y95 PolarHBondContact OG-OH 2.96Å
84	Q	98.6	Very high	98.4	Very high	76 Å²	76	57.3 Å²	57.3	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-46.8	179.2	-175.7	-175.3	9.2	0	0	111.7	L80 V81 Q87 K88	L80-Q84 PolarHBondContact O-N 3.06Å; V81-Q84 PolarHBondContact O-N 2.68Å; Q84-Q87 PolarHBondContact O-N 2.78Å; Q84-K88 WeakPolarHBondContact O-CG 3.32Å; Q84-K88 PolarHBondContact O-N 3.26Å; Q84-K88 VanDerWaalsContact O-N 3.15Å
85	V	98.7	Very high	98.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-71.5	-39.9	-179.2	179.5	0	0	0	0	110.6	I33 Y34 A41 F53 V81 S83 Q87 K88 E89	I33-V85 HydrophobicContact CD1-CG1 3.42Å; I33-V85 VanDerWaalsContact CD1-CG1 3.42Å; I33-V85 HydrophobicContact CG1-CG1 3.89Å; Y34-V85 HydrophobicContact CD2-CG2 4.05Å; Y34-V85 HydrophobicContact CG-CG2 3.96Å; A41-V85 HydrophobicContact CB-CG2 4.37Å; F53-V85 HydrophobicContact CD1-CG1 4.41Å; F53-V85 HydrophobicContact CD2-CG1 4.05Å; F53-V85 HydrophobicContact CE1-CG1 3.95Å; F53-V85 HydrophobicContact CE2-CB 3.76Å; F53-V85 HydrophobicContact CE2-CG1 3.53Å; F53-V85 HydrophobicContact CG-CG1 4.46Å; F53-V85 HydrophobicContact CZ-CB 3.7Å; F53-V85 HydrophobicContact CZ-CG1 3.47Å; F53-V85 VanDerWaalsContact CZ-CG1 3.47Å; V81-V85 HydrophobicContact CG1-CG2 3.94Å; V81-V85 WeakPolarHBondContact O-CB 3.42Å; V81-V85 VanDerWaalsContact O-CG2 3.29Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 3.09Å; S83-V85 PolarHBondContact O-N 3.08Å; V85-Q87 VanDerWaalsContact C-N 3.28Å; V85-Q87 PolarHBondContact O-N 3.49Å; V85-K88 PolarHBondContact O-N 2.91Å; V85-K88 VanDerWaalsContact O-N 3.13Å; V85-E89 HydrophobicContact CG1-CG 4.24Å; V85-E89 WeakPolarHBondContact O-CB 3.47Å; V85-E89 WeakPolarHBondContact O-CG 3.45Å; V85-E89 PolarHBondContact O-N 3.41Å
86	A	98.8	Very high	98.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-39.8	174	0	0	0	0	0	112.4	F53 C82 S83 E89 G90 L91 Y95 V116	F53-A86 HydrophobicContact CZ-CB 4.4Å; C82-A86 WeakPolarHBondContact O-CB 3.47Å; C82-A86 PolarHBondContact O-N 3.47Å; S83-A86 PolarHBondContact O-N 2.81Å; A86-E89 PolarHBondContact O-N 3.42Å; A86-G90 PolarHBondContact O-N 2.86Å; A86-L91 HydrophobicContact CB-CB 4.26Å; A86-L91 HydrophobicContact CB-CD1 4.02Å; A86-L91 WeakPolarHBondContact O-CB 3.29Å; A86-L91 PolarHBondContact O-N 2.73Å; A86-Y95 HydrophobicContact CB-CD1 3.62Å; A86-Y95 HydrophobicContact CB-CD2 4.33Å; A86-Y95 HydrophobicContact CB-CE1 3.57Å; A86-Y95 HydrophobicContact CB-CE2 4.29Å; A86-Y95 HydrophobicContact CB-CG 4.03Å; A86-V116 HydrophobicContact CB-CG1 4.21Å
87	Q	98.3	Very high	98.4	Very high	157 Å²	157	61.5 Å²	61.5	73%	0.734	35%	0.347	S	S	*	.	H	α-helix	trans	-63.9	-45.1	174.5	-172	-177.7	24.4	0	0	111.9	S83 Q84 V85 E89 G90	S83-Q87 PolarHBondContact O-N 2.79Å; Q84-Q87 PolarHBondContact O-N 2.78Å; V85-Q87 VanDerWaalsContact C-N 3.28Å; V85-Q87 PolarHBondContact O-N 3.49Å; Q87-E89 VanDerWaalsContact C-N 3.28Å; Q87-E89 PolarHBondContact O-N 3.07Å; Q87-G90 PolarHBondContact O-N 3.22Å; Q87-G90 VanDerWaalsContact O-N 3.1Å
88	K	98.3	Very high	98.4	Very high	134 Å²	134	61.2 Å²	61.2	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-61.9	-35.3	176.8	-72	176.9	179	178.6	0	112.5	Q84 V85 G90	Q84-K88 WeakPolarHBondContact O-CG 3.32Å; Q84-K88 PolarHBondContact O-N 3.26Å; Q84-K88 VanDerWaalsContact O-N 3.15Å; V85-K88 PolarHBondContact O-N 2.91Å; V85-K88 VanDerWaalsContact O-N 3.13Å; K88-G90 PolarHBondContact O-N 2.74Å
89	E	98.4	Very high	98.4	Very high	52 Å²	52	63.7 Å²	63.7	24%	0.243	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.5	176.9	-68.8	-73.8	120.8	0	0	113.3	I33 R43 T51 F53 V85 A86 Q87 L91	I33-E89 HydrophobicContact CD1-CG 4.5Å; R43-E89 IonicContact CZ-OE1 3.88Å; R43-E89 IonicContact CZ-OE2 3.85Å; R43-E89 IonicContact NH1-OE1 3.75Å; R43-E89 IonicContact NH1-OE2 2.79Å; R43-E89 PolarHBondContact NH1-OE2 2.93Å; R43-E89 IonicContact NH2-OE1 2.71Å; R43-E89 PolarHBondContact NH2-OE1 3.28Å; R43-E89 IonicContact NH2-OE2 3.24Å; R43-E89 PolarHBondContact NH2-OE2 2.96Å; R43-E89 VanDerWaalsContact NH2-OE2 3.13Å; T51-E89 HydrophobicContact CG2-CB 4Å; T51-E89 HydrophobicContact CG2-CG 4.27Å; F53-E89 HydrophobicContact CE1-CG 4.41Å; V85-E89 HydrophobicContact CG1-CG 4.24Å; V85-E89 WeakPolarHBondContact O-CB 3.47Å; V85-E89 WeakPolarHBondContact O-CG 3.45Å; V85-E89 PolarHBondContact O-N 3.41Å; A86-E89 PolarHBondContact O-N 3.42Å; Q87-E89 VanDerWaalsContact C-N 3.28Å; Q87-E89 PolarHBondContact O-N 3.07Å; E89-L91 HydrophobicContact CB-CG 4.44Å; E89-L91 PolarHBondContact O-N 3.03Å
90	G	98.1	Very high	98.4	Very high	54 Å²	54	60.5 Å²	60.5	56%	0.557	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	21.3	174.2	0	0	0	0	0	114.9	A86 Q87 K88 S92	A86-G90 PolarHBondContact O-N 2.86Å; Q87-G90 PolarHBondContact O-N 3.22Å; Q87-G90 VanDerWaalsContact O-N 3.1Å; K88-G90 PolarHBondContact O-N 2.74Å; G90-S92 PolarHBondContact O-N 3.19Å
91	L	98.3	Very high	98.3	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.063	33%	0.329	C	S	.	.			trans	-79.3	48.2	179.3	-58.4	-176.4	0	0	0	113.1	T51 A86 E89 S93 G94 Y95 V116 G119	T51-L91 HydrophobicContact CG2-CD1 3.9Å; T51-L91 HydrophobicContact CG2-CD2 4.33Å; T51-L91 HydrophobicContact CG2-CG 4.34Å; A86-L91 HydrophobicContact CB-CB 4.26Å; A86-L91 HydrophobicContact CB-CD1 4.02Å; A86-L91 WeakPolarHBondContact O-CB 3.29Å; A86-L91 PolarHBondContact O-N 2.73Å; E89-L91 HydrophobicContact CB-CG 4.44Å; E89-L91 PolarHBondContact O-N 3.03Å; L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.45Å; L91-G94 PolarHBondContact O-N 3.48Å; L91-Y95 HydrophobicContact CB-CD1 4.15Å; L91-V116 HydrophobicContact CD1-CG1 4.47Å; L91-G119 VanDerWaalsContact CD2-N 3.31Å
92	S	96.1	Very high	98.2	Very high	116 Å²	116	57.3 Å²	57.3	81%	0.811	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.6	-176.5	56.4	0	0	0	0	113.9	G90 G94	G90-S92 PolarHBondContact O-N 3.19Å; S92-G94 PolarHBondContact O-N 3.22Å
93	S	97.8	Very high	98	Very high	130 Å²	130	60.9 Å²	60.9	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	4.5	176.1	-56.3	0	0	0	0	114	L91	L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.45Å
94	G	98.3	Very high	97.8	Very high	41 Å²	41	66.5 Å²	66.5	42%	0.423	38%	0.383	S	S	.	.			trans	106.4	166.5	179	0	0	0	0	0	114.4	L91 S92	L91-G94 PolarHBondContact O-N 3.48Å; S92-G94 PolarHBondContact O-N 3.22Å
95	Y	98.8	Very high	97.7	Very high	87 Å²	87	64.2 Å²	64.2	34%	0.341	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	168.1	-177.4	55.1	-90.7	0	0	0	110.3	S83 A86 L91 V97 V116 L117	S83-Y95 WeakPolarHBondContact CA-OH 3.35Å; S83-Y95 WeakPolarHBondContact CB-OH 3.32Å; S83-Y95 PolarHBondContact OG-OH 2.96Å; A86-Y95 HydrophobicContact CB-CD1 3.62Å; A86-Y95 HydrophobicContact CB-CD2 4.33Å; A86-Y95 HydrophobicContact CB-CE1 3.57Å; A86-Y95 HydrophobicContact CB-CE2 4.29Å; A86-Y95 HydrophobicContact CB-CG 4.03Å; L91-Y95 HydrophobicContact CB-CD1 4.15Å; Y95-V97 HydrophobicContact CD2-CG2 3.92Å; Y95-V97 HydrophobicContact CE2-CG2 3.74Å; Y95-V116 HydrophobicContact CD2-CG1 3.84Å; Y95-V116 HydrophobicContact CG-CG1 4.24Å; Y95-L117 CarbonylContact C-O 3.58Å; Y95-L117 VanDerWaalsContact CA-O 3.24Å; Y95-L117 WeakPolarHBondContact CA-O 3.35Å; Y95-L117 WeakPolarHBondContact CB-O 3.35Å
96	R	98.8	Very high	97.6	Very high	56 Å²	56	65.1 Å²	65.1	21%	0.211	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.1	172.4	179.4	175.8	-68.4	163.9	-0.5	109.6	V98 V116 L117 M122 K123	R96-V98 HydrophobicContact CG-CG2 3.75Å; R96-V116 WeakPolarHBondContact O-CA 3.47Å; R96-L117 PolarHBondContact N-O 2.85Å; R96-L117 PolarHBondContact O-N 2.82Å; R96-M122 HydrophobicContact CB-CE 4.18Å; R96-M122 HydrophobicContact CB-CG 4.07Å; R96-K123 PolarHBondContact NH1-O 2.99Å; R96-K123 PolarHBondContact NH2-O 3.19Å
97	V	98.8	Very high	97.6	Very high	47 Å²	47	65.1 Å²	65.1	29%	0.285	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.5	168.1	-174.2	0	0	0	0	108.8	M79 C82 Y95 L114 H115 V116	M79-V97 HydrophobicContact SD-CG1 4.23Å; C82-V97 HydrophobicContact CB-CG2 4.27Å; Y95-V97 HydrophobicContact CD2-CG2 3.92Å; Y95-V97 HydrophobicContact CE2-CG2 3.74Å; V97-L114 HydrophobicContact CG1-CB 4.14Å; V97-L114 HydrophobicContact CG1-CD2 4.21Å; V97-L114 HydrophobicContact CG1-CG 4.36Å; V97-H115 CarbonylContact C-O 3.57Å; V97-H115 WeakPolarHBondContact CA-O 3.5Å; V97-V116 HydrophobicContact CG2-CG2 4.43Å
98	V	98.7	Very high	97.4	Very high	40 Å²	40	58.4 Å²	58.4	24%	0.242	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.9	178.8	-173	0	0	0	0	110	R96 N100 L114 H115 L117	R96-V98 HydrophobicContact CG-CG2 3.75Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.48Å; V98-L114 WeakPolarHBondContact O-CA 3.41Å; V98-H115 HydrophobicContact CB-CB 4.19Å; V98-H115 PolarHBondContact N-O 3.39Å; V98-H115 PolarHBondContact O-N 2.96Å; V98-L117 HydrophobicContact CG2-CD1 4Å
99	V	98.6	Very high	97.3	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.309	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.3	166.9	179.6	0	0	0	0	107.3	L64 L112 L114	L64-V99 HydrophobicContact CB-CG1 4.24Å; L64-V99 HydrophobicContact CD2-CG1 4.21Å; V99-L112 HydrophobicContact CG1-CD1 3.74Å; V99-L114 HydrophobicContact CG2-CB 4.4Å; V99-L114 HydrophobicContact CG2-CD1 3.97Å; V99-L114 HydrophobicContact CG2-CG 3.6Å
100	N	98.1	Very high	97.2	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.182	33%	0.332	C	S	.	.			trans	-90.8	136.3	176.9	-70.6	-8.2	0	0	0	109.3	V98 G105 A106 Q107	V98-N100 WeakPolarHBondContact CG1-OD1 3.48Å; N100-G105 WeakPolarHBondContact CB-O 3.42Å; N100-G105 PolarHBondContact ND2-O 3.2Å; N100-G105 PolarHBondContact OD1-O 2.97Å; N100-A106 PolarHBondContact ND2-O 3.25Å; N100-Q107 HydrophobicContact CB-CB 4.04Å; N100-Q107 PolarHBondContact O-OE1 3.05Å
101	N	97.5	Very high	97.2	Very high	46 Å²	46	49.9 Å²	49.9	25%	0.246	31%	0.306	C	S	.	.			trans	-130.2	120.1	177.8	-172.4	83.5	0	0	0	110.6	T63 L64 D65 G105	T63-N101 WeakPolarHBondContact CB-OD1 3.34Å; L64-N101 HydrophobicContact CB-CB 4.43Å; L64-N101 PolarHBondContact N-OD1 2.87Å; L64-N101 VanDerWaalsContact N-OD1 3.09Å; D65-N101 PolarHBondContact N-OD1 3.49Å; D65-N101 PolarHBondContact OD2-ND2 2.9Å; N101-G105 PolarHBondContact O-N 3.1Å
102	G	95.3	Very high	97.2	Very high	12 Å²	12	49.4 Å²	49.4	12%	0.124	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	-173.9	178.2	0	0	0	0	0	115.1	G105 A106 Q107	G102-G105 PolarHBondContact O-N 3.41Å; G102-A106 PolarHBondContact O-N 3.41Å; G102-Q107 WeakPolarHBondContact O-CB 3.25Å; G102-Q107 PolarHBondContact O-N 2.87Å
103	P	94.5	Very high	97.3	Very high	75 Å²	75	44.1 Å²	44.1	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-43.7	-174.3	-25.3	35.3	0	0	0	114.1	G105 A106	P103-G105 VanDerWaalsContact C-N 3.31Å; P103-G105 PolarHBondContact O-N 3.27Å; P103-A106 PolarHBondContact O-N 3.14Å
104	D	95.1	Very high	97.4	Very high	175 Å²	175	38.2 Å²	38.2	94%	0.936	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-25.5	-178.7	-71.1	-23	0	0	0	112.7	A106	D104-A106 PolarHBondContact O-N 3.46Å
105	G	96.5	Very high	97.4	Very high	28 Å²	28	37 Å²	37	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.3	168.7	0	0	0	0	0	113.5	N100 N101 G102 P103	N100-G105 WeakPolarHBondContact CB-O 3.42Å; N100-G105 PolarHBondContact ND2-O 3.2Å; N100-G105 PolarHBondContact OD1-O 2.97Å; N101-G105 PolarHBondContact O-N 3.1Å; G102-G105 PolarHBondContact O-N 3.41Å; P103-G105 VanDerWaalsContact C-N 3.31Å; P103-G105 PolarHBondContact O-N 3.27Å
106	A	96.9	Very high	97.4	Very high	20 Å²	20	32.9 Å²	32.9	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	40.4	-172.5	0	0	0	0	0	113.9	V5 A8 N100 G102 P103 D104 S108	V5-A106 HydrophobicContact CG2-CB 4.3Å; A8-A106 VanDerWaalsContact CB-C 3.42Å; A8-A106 VanDerWaalsContact CB-CA 3.48Å; A8-A106 HydrophobicContact CB-CB 4.36Å; N100-A106 PolarHBondContact ND2-O 3.25Å; G102-A106 PolarHBondContact O-N 3.41Å; P103-A106 PolarHBondContact O-N 3.14Å; D104-A106 PolarHBondContact O-N 3.46Å; A106-S108 PolarHBondContact O-N 3.19Å
107	Q	97.5	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.			trans	-76.8	111.8	173.7	-170.2	-177.7	-1	0	0	111.1	A8 P62 N100 G102 V109	A8-Q107 WeakPolarHBondContact CA-O 3.12Å; A8-Q107 WeakPolarHBondContact CB-O 3.29Å; P62-Q107 PolarHBondContact O-NE2 3.19Å; N100-Q107 HydrophobicContact CB-CB 4.04Å; N100-Q107 PolarHBondContact O-OE1 3.05Å; G102-Q107 WeakPolarHBondContact O-CB 3.25Å; G102-Q107 PolarHBondContact O-N 2.87Å; Q107-V109 PolarHBondContact NE2-O 3.26Å
108	S	94.7	Very high	97.4	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	17%	0.172	C	C	.	.			trans	-93.6	-24	-178	61.2	0	0	0	0	114.5	E4 S11 A106	E4-S108 WeakPolarHBondContact OE2-CB 3.24Å; E4-S108 PolarHBondContact OE2-OG 3.19Å; S11-S108 WeakPolarHBondContact CB-O 3.41Å; S11-S108 PolarHBondContact OG-O 2.94Å; A106-S108 PolarHBondContact O-N 3.19Å
109	V	96.4	Very high	97.4	Very high	24 Å²	24	29.3 Å²	29.3	15%	0.145	19%	0.186	C	C	.	.	S	Bend	trans	-123	125.3	177.5	-175.9	0	0	0	0	109.9	T18 I19 F20 Q107 H111 H113	T18-V109 HydrophobicContact CG2-CG1 4.44Å; I19-V109 HydrophobicContact CG2-CG1 4.01Å; I19-V109 HydrophobicContact CG2-CG2 3.92Å; F20-V109 HydrophobicContact CD1-CG1 4.41Å; F20-V109 HydrophobicContact CD2-CB 4.29Å; F20-V109 HydrophobicContact CD2-CG1 3.74Å; F20-V109 HydrophobicContact CE1-CG1 4.47Å; F20-V109 HydrophobicContact CE1-CG2 4.26Å; F20-V109 HydrophobicContact CE2-CB 3.8Å; F20-V109 HydrophobicContact CE2-CG1 3.78Å; F20-V109 HydrophobicContact CE2-CG2 4.27Å; F20-V109 HydrophobicContact CG-CG1 4.04Å; F20-V109 HydrophobicContact CZ-CB 3.97Å; F20-V109 HydrophobicContact CZ-CG1 4.16Å; F20-V109 HydrophobicContact CZ-CG2 3.91Å; Q107-V109 PolarHBondContact NE2-O 3.26Å; V109-H111 HydrophobicContact CG1-CB 4.2Å; V109-H111 PolarHBondContact O-N 3.31Å; V109-H113 PolarHBondContact O-CE1 3.18Å; V109-H113 VanDerWaalsContact O-CE1 3.28Å
110	Y	97	Very high	97.4	Very high	35 Å²	35	32 Å²	32	14%	0.137	19%	0.191	C	C	.	.	S	Bend	trans	-81.9	58.4	178	-76.9	-96.8	0	0	0	111.7	S11 H13 T18 P62 T63	S11-Y110 WeakPolarHBondContact O-CE2 3.26Å; H13-Y110 HydrophobicContact CB-CD1 3.5Å; H13-Y110 VanDerWaalsContact CB-CD1 3.5Å; H13-Y110 HydrophobicContact CB-CD2 4.43Å; H13-Y110 HydrophobicContact CB-CE1 3.74Å; H13-Y110 HydrophobicContact CB-CG 3.86Å; H13-Y110 AromaticContact CG-CD1 3.89Å; T18-Y110 WeakPolarHBondContact CG2-O 3.41Å; P62-Y110 WeakPolarHBondContact CA-O 3.47Å; P62-Y110 CarbonylContact O-C 3.6Å; P62-Y110 WeakPolarHBondContact O-CA 3.49Å; T63-Y110 HydrophobicContact CG2-CD1 3.56Å; T63-Y110 HydrophobicContact CG2-CE1 3.75Å
111	H	97.8	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-149.2	119.7	168.3	-173.6	135.8	0	0	0	105.5	T18 F20 P57 I61 P62 V109 H113	T18-H111 HydrophobicContact CG2-CB 4.03Å; F20-H111 HydrophobicContact CB-CB 4.21Å; F20-H111 HydrophobicContact CD2-CB 3.89Å; P57-H111 PolarHBondContact O-NE2 3.43Å; I61-H111 CarbonylContact O-C 3.58Å; P62-H111 PolarHBondContact O-N 3.29Å; V109-H111 HydrophobicContact CG1-CB 4.2Å; V109-H111 PolarHBondContact O-N 3.31Å; H111-H113 PolarHBondContact O-N 2.87Å; H111-H113 PolarHBondContact O-ND1 3.49Å
112	L	98.3	Very high	97.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	22%	0.215	C	C	.	.			trans	-49.3	130.5	-172.8	-178.5	68.2	0	0	0	111.1	P57 I61 L64 L75 L78 V99 L114	P57-L112 WeakPolarHBondContact CD-O 3.48Å; P57-L112 HydrophobicContact CG-CB 4.21Å; P57-L112 HydrophobicContact CG-CD2 4.46Å; I61-L112 HydrophobicContact CB-CB 4.21Å; I61-L112 HydrophobicContact CG2-CB 4.38Å; I61-L112 HydrophobicContact CG2-CD2 4.42Å; I61-L112 WeakPolarHBondContact O-CB 3.32Å; I61-L112 PolarHBondContact O-N 3.19Å; L64-L112 HydrophobicContact CB-CD1 4.28Å; L64-L112 HydrophobicContact CD1-CD1 4.41Å; L75-L112 HydrophobicContact CD2-CD2 3.5Å; L78-L112 HydrophobicContact CD1-CD2 4.16Å; V99-L112 HydrophobicContact CG1-CD1 3.74Å; L112-L114 HydrophobicContact CG-CD1 4.45Å
113	H	98.6	Very high	97.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.019	24%	0.244	C	C	.	.			trans	-146.9	135.4	-179.1	51.2	-78.7	0	0	0	110.3	F20 V55 I56 V109 H111 H115	F20-H113 HydrophobicContact CD2-CB 4.46Å; F20-H113 HydrophobicContact CE2-CB 3.75Å; F20-H113 AromaticContact CE2-CG 3.66Å; F20-H113 AromaticContact CE2-ND1 3.59Å; V55-H113 WeakPolarHBondContact O-CA 3.38Å; I56-H113 HydrophobicContact CG2-CB 3.62Å; V109-H113 PolarHBondContact O-CE1 3.18Å; V109-H113 VanDerWaalsContact O-CE1 3.28Å; H111-H113 PolarHBondContact O-N 2.87Å; H111-H113 PolarHBondContact O-ND1 3.49Å; H113-H115 AromaticContact CD2-CD2 3.72Å; H113-H115 AromaticContact CD2-CE1 3.97Å; H113-H115 AromaticContact CD2-NE2 3.22Å; H113-H115 PolarHBondContact CD2-NE2 3.5Å; H113-H115 AromaticContact NE2-NE2 3.47Å; H113-H115 PolarHBondContact NE2-NE2 3.46Å
114	L	98.8	Very high	97.7	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.7	174.8	-73.4	65.6	0	0	0	107.1	L54 V55 L78 M79 C82 V97 V98 V99 L112	L54-L114 CarbonylContact C-O 3.13Å; L54-L114 WeakPolarHBondContact CA-O 3.37Å; V55-L114 HydrophobicContact CB-CB 4.34Å; V55-L114 PolarHBondContact N-O 2.87Å; V55-L114 PolarHBondContact O-N 3.13Å; L78-L114 HydrophobicContact CB-CD1 4.26Å; L78-L114 HydrophobicContact CB-CD2 3.98Å; L78-L114 HydrophobicContact CD1-CD1 3.98Å; M79-L114 HydrophobicContact CG-CD2 4.21Å; M79-L114 HydrophobicContact SD-CD2 3.56Å; M79-L114 VanDerWaalsContact SD-CD2 3.56Å; C82-L114 VanDerWaalsContact SG-CD2 3.5Å; V97-L114 HydrophobicContact CG1-CB 4.14Å; V97-L114 HydrophobicContact CG1-CD2 4.21Å; V97-L114 HydrophobicContact CG1-CG 4.36Å; V98-L114 WeakPolarHBondContact O-CA 3.41Å; V99-L114 HydrophobicContact CG2-CB 4.4Å; V99-L114 HydrophobicContact CG2-CD1 3.97Å; V99-L114 HydrophobicContact CG2-CG 3.6Å; L112-L114 HydrophobicContact CG-CD1 4.45Å
115	H	98.7	Very high	97.7	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136	169.1	-64	-98	0	0	0	109.4	H52 L54 V97 V98 H113 L117	H52-H115 AromaticContact CE1-ND1 3.43Å; H52-H115 PolarHBondContact CE1-ND1 3.28Å; H52-H115 AromaticContact NE2-CE1 3.99Å; H52-H115 AromaticContact NE2-CG 3.67Å; H52-H115 AromaticContact NE2-ND1 2.9Å; H52-H115 PolarHBondContact NE2-ND1 3.09Å; L54-H115 HydrophobicContact CD2-CB 4.24Å; L54-H115 VanDerWaalsContact CD2-CE1 3.49Å; L54-H115 WeakPolarHBondContact CD2-CE1 3.35Å; L54-H115 WeakPolarHBondContact CD2-ND1 3.5Å; V97-H115 CarbonylContact C-O 3.57Å; V97-H115 WeakPolarHBondContact CA-O 3.5Å; V98-H115 HydrophobicContact CB-CB 4.19Å; V98-H115 PolarHBondContact N-O 3.39Å; V98-H115 PolarHBondContact O-N 2.96Å; H113-H115 AromaticContact CD2-CD2 3.72Å; H113-H115 AromaticContact CD2-CE1 3.97Å; H113-H115 AromaticContact CD2-NE2 3.22Å; H113-H115 PolarHBondContact CD2-NE2 3.5Å; H113-H115 AromaticContact NE2-NE2 3.47Å; H113-H115 PolarHBondContact NE2-NE2 3.46Å; H115-L117 HydrophobicContact CB-CD1 3.78Å
116	V	98.9	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.6	169.9	-173.1	0	0	0	0	108.9	H52 F53 V55 C82 A86 L91 Y95 R96 V97	H52-V116 WeakPolarHBondContact CA-O 3.46Å; F53-V116 HydrophobicContact CD1-CB 4.06Å; F53-V116 HydrophobicContact CD1-CG1 4.43Å; F53-V116 HydrophobicContact CD2-CB 4.05Å; F53-V116 HydrophobicContact CD2-CG2 4.11Å; F53-V116 HydrophobicContact CE1-CB 3.61Å; F53-V116 HydrophobicContact CE1-CG1 3.59Å; F53-V116 HydrophobicContact CE1-CG2 4.37Å; F53-V116 HydrophobicContact CE2-CB 3.61Å; F53-V116 HydrophobicContact CE2-CG1 4.18Å; F53-V116 HydrophobicContact CE2-CG2 3.47Å; F53-V116 VanDerWaalsContact CE2-CG2 3.47Å; F53-V116 HydrophobicContact CG-CB 4.26Å; F53-V116 HydrophobicContact CZ-CB 3.37Å; F53-V116 HydrophobicContact CZ-CG1 3.44Å; F53-V116 VanDerWaalsContact CZ-CG1 3.44Å; F53-V116 HydrophobicContact CZ-CG2 3.62Å; F53-V116 PolarHBondContact N-O 2.89Å; F53-V116 VanDerWaalsContact N-O 3.16Å; F53-V116 PolarHBondContact O-N 2.61Å; V55-V116 HydrophobicContact CG2-CG2 4.44Å; C82-V116 HydrophobicContact CB-CG2 3.76Å; C82-V116 VanDerWaalsContact SG-CG2 3.58Å; A86-V116 HydrophobicContact CB-CG1 4.21Å; L91-V116 HydrophobicContact CD1-CG1 4.47Å; Y95-V116 HydrophobicContact CD2-CG1 3.84Å; Y95-V116 HydrophobicContact CG-CG1 4.24Å; R96-V116 WeakPolarHBondContact O-CA 3.47Å; V97-V116 HydrophobicContact CG2-CG2 4.43Å
117	L	98.8	Very high	97.1	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.3	-174.8	-54.9	99.1	0	0	0	111	Q48 A49 T51 Y95 R96 V98 H115 M122	Q48-L117 HydrophobicContact CB-CD2 3.81Å; A49-L117 HydrophobicContact CB-CB 4.04Å; A49-L117 HydrophobicContact CB-CD2 4.4Å; T51-L117 WeakPolarHBondContact O-CA 3.37Å; Y95-L117 CarbonylContact C-O 3.58Å; Y95-L117 VanDerWaalsContact CA-O 3.24Å; Y95-L117 WeakPolarHBondContact CA-O 3.35Å; Y95-L117 WeakPolarHBondContact CB-O 3.35Å; R96-L117 PolarHBondContact N-O 2.85Å; R96-L117 PolarHBondContact O-N 2.82Å; V98-L117 HydrophobicContact CG2-CD1 4Å; H115-L117 HydrophobicContact CB-CD1 3.78Å; L117-M122 HydrophobicContact CB-CE 3.81Å; L117-M122 HydrophobicContact CB-SD 4.21Å; L117-M122 HydrophobicContact CD2-CE 4.21Å; L117-M122 HydrophobicContact CG-CE 4.45Å
118	G	98.7	Very high	97.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-171.4	178.4	0	0	0	0	0	114	A49 P50 T51 R120	A49-G118 WeakPolarHBondContact CB-O 3.41Å; P50-G118 WeakPolarHBondContact CD-O 3.49Å; T51-G118 PolarHBondContact N-O 3.43Å; T51-G118 VanDerWaalsContact N-O 3.09Å; T51-G118 PolarHBondContact O-N 3Å; G118-R120 VanDerWaalsContact C-N 3.27Å
119	G	98.2	Very high	97.2	Very high	53 Å²	53	59.8 Å²	59.8	55%	0.546	33%	0.333	S	S	.	.	S	Bend	trans	82.2	4.5	-175.5	0	0	0	0	0	113.8	L91	L91-G119 VanDerWaalsContact CD2-N 3.31Å
120	R	98.3	Very high	97.2	Very high	108 Å²	108	61.8 Å²	61.8	41%	0.408	34%	0.343	S	S	.	.	S	Bend	trans	-151.5	161.2	170.9	64.5	174.1	-178.2	75.3	-2.3	110.2	Q48 A49 P50 G118 M122	Q48-R120 PolarHBondContact O-NE 3.16Å; Q48-R120 VanDerWaalsContact O-NE 3.15Å; Q48-R120 PolarHBondContact O-NH2 3.39Å; A49-R120 HydrophobicContact CB-CG 4.23Å; P50-R120 HydrophobicContact CG-CB 4.38Å; G118-R120 VanDerWaalsContact C-N 3.27Å; R120-M122 HydrophobicContact CG-SD 4.42Å; R120-M122 PolarHBondContact NH1-SD 2.94Å; R120-M122 VanDerWaalsContact NH1-SD 3.41Å; R120-M122 PolarHBondContact O-N 3.12Å
121	Q	98.4	Very high	97.2	Very high	170 Å²	170	63.4 Å²	63.4	79%	0.794	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-61.7	127.6	169	-178.7	60.6	57	0	0	110.1
122	M	98.3	Very high	97.2	Very high	28 Å²	28	67.3 Å²	67.3	14%	0.138	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-84.4	137.9	172.8	-59.4	-57.7	-72	0	0	109.8	R96 L117 R120	R96-M122 HydrophobicContact CB-CE 4.18Å; R96-M122 HydrophobicContact CB-CG 4.07Å; L117-M122 HydrophobicContact CB-CE 3.81Å; L117-M122 HydrophobicContact CB-SD 4.21Å; L117-M122 HydrophobicContact CD2-CE 4.21Å; L117-M122 HydrophobicContact CG-CE 4.45Å; R120-M122 HydrophobicContact CG-SD 4.42Å; R120-M122 PolarHBondContact NH1-SD 2.94Å; R120-M122 VanDerWaalsContact NH1-SD 3.41Å; R120-M122 PolarHBondContact O-N 3.12Å
123	K	98.1	Very high	97.1	Very high	170 Å²	170	71.5 Å²	71.5	74%	0.739	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-84.3	166.1	179.8	-64.6	-174.3	-180	-179.9	0	111.9	R96	R96-K123 PolarHBondContact NH1-O 2.99Å; R96-K123 PolarHBondContact NH2-O 3.19Å
124	W	96.8	Very high	97	Very high	211 Å²	211	76.4 Å²	76.4	80%	0.799	43%	0.429	S	S	*	.	S	Bend	trans	-125.3	133.9	170.4	-168.2	-108.4	0	0	0	109.2	P126	W124-P126 HydrophobicContact CE3-CB 4.14Å; W124-P126 HydrophobicContact CE3-CG 4Å; W124-P126 HydrophobicContact CH2-CG 3.73Å; W124-P126 HydrophobicContact CZ3-CB 3.79Å; W124-P126 HydrophobicContact CZ3-CG 3.36Å
125	P	96.9	Very high	96.9	Very high	91 Å²	91	81.8 Å²	81.8	59%	0.591	46%	0.459	S	S	*	.	S	Bend	cis	-68.1	170.1	4.4	30.9	-37	0	0	0	114.4	G127	P125-G127 VanDerWaalsContact C-N 3.31Å; P125-G127 PolarHBondContact O-N 3.46Å
126	P	94.4	Very high	96.7	Very high	71 Å²	71	87.3 Å²	87.3	46%	0.461	49%	0.491	S	S	.	.			trans	-94.1	53.3	-177.4	40.5	-34.5	0	0	0	112	W124	W124-P126 HydrophobicContact CE3-CB 4.14Å; W124-P126 HydrophobicContact CE3-CG 4Å; W124-P126 HydrophobicContact CH2-CG 3.73Å; W124-P126 HydrophobicContact CZ3-CB 3.79Å; W124-P126 HydrophobicContact CZ3-CG 3.36Å
127	G	85.3	Confident	96.6	Very high	130 Å²	130	95.2 Å²	95.2	100%	1.34	54%	0.536	S	S	*	.			trans	-164.6	0	175.6	0	0	0	0	0	108.8	P125	P125-G127 VanDerWaalsContact C-N 3.31Å; P125-G127 PolarHBondContact O-N 3.46Å

Retrieved 127 of 127 residues in 378.4 ms (Link to these results)

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