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Heme oxygenase (staphylobilin-producing) 2

Allows bacterial pathogens to use the host heme as an iron source. Catalyzes the oxidative degradation of the heme macrocyclic porphyrin ring to the oxo-bilirubin chromophore staphylobilin (a mixture of the linear tetrapyrroles 5-oxo-delta-bilirubin and 15-oxo-beta-bilirubin) in the presence of a suitable electron donor such as ascorbate or NADPH--cytochrome P450 reductase, with subsequent release of free iron.

AlphaFold DB (Q2G1J2), UniProt , Accession Q99X56, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene isdI, Length 108 aa.

						>HDOX2_STAAM|Q99X56|isdI
MFMAENRLQLQKGSAEETIERFYNRQGIETIEGFQQMFVTKTLNTEDTDEVKILTIWESEDSFNNWLNSDVFKEAHKNVRLKSDDDGQQSPILSNKVFKYDIGYHYQK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	94.5	Very high	97.4	Very high	93 Å²	93	40 Å²	40	46%	0.458	19%	0.188	S	C	.	.				0	136.7	0	-77.8	-171.3	76.5	0	0	108.4	I56 W57 E58 I102 H105	M1-I56 HydrophobicContact CE-CG2 3.44Å; M1-I56 VanDerWaalsContact CE-CG2 3.44Å; M1-W57 CarbonylContact C-O 3.57Å; M1-W57 VanDerWaalsContact CA-O 3.32Å; M1-W57 WeakPolarHBondContact CA-O 3.49Å; M1-E58 WeakPolarHBondContact CA-O 3.44Å; M1-E58 PolarHBondContact N-O 2.94Å; M1-I102 HydrophobicContact CB-CB 3.79Å; M1-I102 HydrophobicContact CB-CD1 4.1Å; M1-I102 HydrophobicContact CB-CG1 4.43Å; M1-I102 HydrophobicContact CB-CG2 4.23Å; M1-I102 HydrophobicContact CE-CD1 4.18Å; M1-I102 PolarHBondContact O-N 2.87Å; M1-I102 VanDerWaalsContact O-N 3.08Å; M1-H105 HydrophobicContact CE-CB 4.39Å; M1-H105 HydrophobicContact SD-CB 4.05Å
2	F	98.6	Very high	97.3	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.5	-172.2	175.8	-96.7	0	0	0	109.3	A4 I56 W57 E60 F63 K99 Y100	F2-A4 HydrophobicContact CE1-CB 3.98Å; F2-I56 WeakPolarHBondContact O-CA 3.44Å; F2-W57 HydrophobicContact CB-CB 4.35Å; F2-W57 HydrophobicContact CD1-CB 4.28Å; F2-W57 AromaticContact CD1-CD1 3.96Å; F2-W57 HydrophobicContact CD1-CG 4.38Å; F2-W57 PolarHBondContact N-O 3.37Å; F2-W57 PolarHBondContact O-N 2.92Å; F2-E60 HydrophobicContact CD1-CB 4.48Å; F2-E60 HydrophobicContact CD2-CB 3.71Å; F2-E60 HydrophobicContact CD2-CG 4.2Å; F2-E60 HydrophobicContact CE1-CG 4.37Å; F2-E60 HydrophobicContact CE2-CB 3.76Å; F2-E60 HydrophobicContact CE2-CG 3.71Å; F2-E60 HydrophobicContact CG-CB 4.07Å; F2-E60 HydrophobicContact CZ-CB 4.18Å; F2-E60 HydrophobicContact CZ-CG 3.8Å; F2-F63 HydrophobicContact CD1-CB 3.86Å; F2-F63 HydrophobicContact CD1-CG 4.29Å; F2-F63 HydrophobicContact CE1-CB 3.66Å; F2-F63 AromaticContact CE1-CD1 3.62Å; F2-F63 HydrophobicContact CE1-CD1 3.62Å; F2-F63 HydrophobicContact CE1-CD2 4.38Å; F2-F63 HydrophobicContact CE1-CE1 4.35Å; F2-F63 AromaticContact CE1-CG 3.62Å; F2-F63 HydrophobicContact CE1-CG 3.62Å; F2-F63 HydrophobicContact CZ-CD1 4.11Å; F2-K99 HydrophobicContact CE2-CB 3.87Å; F2-K99 HydrophobicContact CE2-CD 4.32Å; F2-K99 HydrophobicContact CE2-CG 4.3Å; F2-K99 HydrophobicContact CZ-CB 3.71Å; F2-K99 HydrophobicContact CZ-CD 3.79Å; F2-K99 HydrophobicContact CZ-CG 3.67Å; F2-Y100 WeakPolarHBondContact CD2-O 3.48Å
3	M	98.7	Very high	97.3	Very high	49 Å²	49	46.5 Å²	46.5	24%	0.241	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.8	172.8	-174.3	-175.4	-68.4	0	0	109.9	T55 I56 K99 Y100 I102	M3-T55 CarbonylContact C-O 3.5Å; M3-T55 VanDerWaalsContact CA-O 3.26Å; M3-T55 WeakPolarHBondContact CA-O 3.48Å; M3-I56 HydrophobicContact CB-CD1 4.13Å; M3-I56 HydrophobicContact CE-CD1 3.29Å; M3-I56 HydrophobicContact CG-CD1 3.78Å; M3-I56 HydrophobicContact SD-CD1 4.24Å; M3-K99 CarbonylContact O-C 3.59Å; M3-K99 WeakPolarHBondContact O-CA 3.21Å; M3-Y100 HydrophobicContact CB-CD2 4.13Å; M3-Y100 HydrophobicContact CG-CD2 4.17Å; M3-Y100 PolarHBondContact N-O 3.02Å; M3-Y100 PolarHBondContact O-N 3.08Å; M3-Y100 HydrophobicContact SD-CD2 4.21Å; M3-I102 HydrophobicContact CB-CD1 3.97Å; M3-I102 HydrophobicContact CB-CG1 3.98Å; M3-I102 HydrophobicContact CE-CD1 4.35Å
4	A	98.7	Very high	97.1	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	163.6	0	0	0	0	0	110.3	F2 L54 T55 F63 F98	F2-A4 HydrophobicContact CE1-CB 3.98Å; A4-L54 WeakPolarHBondContact O-CA 3.25Å; A4-T55 PolarHBondContact N-O 2.86Å; A4-T55 PolarHBondContact O-N 3.33Å; A4-T55 PolarHBondContact O-OG1 2.89Å; A4-F63 HydrophobicContact CB-CD2 3.78Å; A4-F63 HydrophobicContact CB-CE1 4.22Å; A4-F63 HydrophobicContact CB-CE2 3.36Å; A4-F63 HydrophobicContact CB-CG 4.33Å; A4-F63 HydrophobicContact CB-CZ 3.61Å; A4-F98 WeakPolarHBondContact CA-O 3.4Å
5	E	98.6	Very high	97.1	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.4	171.1	171.8	177	150.7	0	0	108.5	R7 K52 I53 L54 V97 F98 Y100	E5-R7 HydrophobicContact CG-CB 4.23Å; E5-R7 WeakPolarHBondContact OE1-CB 3.38Å; E5-R7 WeakPolarHBondContact OE1-CD 3.32Å; E5-K52 HydrophobicContact CG-CB 4.31Å; E5-K52 HydrophobicContact CG-CG 4.43Å; E5-K52 WeakPolarHBondContact OE1-CD 3.26Å; E5-K52 WeakPolarHBondContact OE1-CE 3.42Å; E5-K52 IonicContact OE1-NZ 3.37Å; E5-K52 PolarHBondContact OE1-NZ 3.41Å; E5-K52 IonicContact OE2-NZ 2.79Å; E5-K52 PolarHBondContact OE2-NZ 3.29Å; E5-I53 CarbonylContact C-O 3.54Å; E5-I53 WeakPolarHBondContact CA-O 3.34Å; E5-L54 HydrophobicContact CB-CD2 3.6Å; E5-L54 HydrophobicContact CG-CD2 3.61Å; E5-V97 CarbonylContact O-C 3.51Å; E5-V97 VanDerWaalsContact O-CA 3.25Å; E5-V97 WeakPolarHBondContact O-CA 3.11Å; E5-F98 HydrophobicContact CB-CB 4.28Å; E5-F98 HydrophobicContact CG-CD2 4.42Å; E5-F98 PolarHBondContact N-O 3.28Å; E5-F98 PolarHBondContact O-N 3.24Å; E5-Y100 HydrophobicContact CB-CE2 3.77Å; E5-Y100 PolarHBondContact OE2-OH 3.05Å
6	N	97.8	Very high	97.1	Very high	42 Å²	42	45.2 Å²	45.2	23%	0.225	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.6	159.1	-173.6	16.2	0	0	0	108.5	K52 I53 N95	N6-K52 WeakPolarHBondContact O-CA 3.25Å; N6-I53 HydrophobicContact CB-CB 4.34Å; N6-I53 HydrophobicContact CB-CD1 4.5Å; N6-I53 PolarHBondContact N-O 2.63Å; N6-I53 WeakPolarHBondContact O-CD1 3.36Å; N6-I53 PolarHBondContact O-N 3.46Å; N6-N95 PolarHBondContact OD1-ND2 3.16Å
7	R	98.3	Very high	96.9	Very high	74 Å²	74	47.5 Å²	47.5	28%	0.279	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.2	-179.4	-170.9	174.5	81.6	166.5	4.2	109.8	E5 E50 K52 N95 K96 F98	E5-R7 HydrophobicContact CG-CB 4.23Å; E5-R7 WeakPolarHBondContact OE1-CB 3.38Å; E5-R7 WeakPolarHBondContact OE1-CD 3.32Å; R7-E50 WeakPolarHBondContact CD-OE2 3.42Å; R7-E50 HydrophobicContact CG-CG 3.89Å; R7-E50 IonicContact CZ-OE2 3.84Å; R7-E50 IonicContact NE-OE2 2.91Å; R7-E50 IonicContact NH1-OE2 3.08Å; R7-K52 HydrophobicContact CB-CG 4.43Å; R7-K52 HydrophobicContact CG-CG 4.03Å; R7-N95 CarbonylContact O-C 3.59Å; R7-N95 VanDerWaalsContact O-CA 3.27Å; R7-N95 WeakPolarHBondContact O-CA 3.48Å; R7-K96 WeakPolarHBondContact CB-O 3.39Å; R7-K96 PolarHBondContact N-O 3.49Å; R7-K96 PolarHBondContact O-N 3.13Å; R7-F98 HydrophobicContact CB-CE2 4.22Å
8	L	97.2	Very high	96.7	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	176.6	-52.1	-177.1	0	0	0	109.4	L10 T18 E50 V51 I53 I92 S94 N95	L8-L10 HydrophobicContact CB-CD2 3.89Å; L8-L10 HydrophobicContact CB-CG 4.26Å; L8-L10 HydrophobicContact CD1-CD2 4.42Å; L8-T18 HydrophobicContact CD1-CG2 4.15Å; L8-E50 WeakPolarHBondContact O-CA 3.47Å; L8-V51 PolarHBondContact N-O 3.2Å; L8-V51 PolarHBondContact O-N 2.8Å; L8-I53 HydrophobicContact CD1-CD1 3.68Å; L8-I53 HydrophobicContact CG-CD1 3.81Å; L8-I92 HydrophobicContact CD2-CG2 4.46Å; L8-S94 WeakPolarHBondContact CA-O 3.45Å; L8-N95 HydrophobicContact CD2-CB 3.57Å
9	Q	97.5	Very high	96.7	Very high	75 Å²	75	44.1 Å²	44.1	35%	0.35	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.6	158.1	-75.5	-173.2	-33.9	0	0	108.6	L93 S94	Q9-L93 HydrophobicContact CB-CB 4.38Å; Q9-L93 WeakPolarHBondContact O-CB 3.23Å; Q9-L93 PolarHBondContact O-N 2.89Å; Q9-S94 PolarHBondContact N-O 3.39Å; Q9-S94 PolarHBondContact O-N 3.11Å; Q9-S94 PolarHBondContact OE1-OG 3.35Å; Q9-S94 VanDerWaalsContact OE1-OG 3.12Å
10	L	96.3	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	157.4	-173.4	-53.7	176.3	0	0	0	110.6	L8 T18 T48 D49 V51 P91 I92 L93	L8-L10 HydrophobicContact CB-CD2 3.89Å; L8-L10 HydrophobicContact CB-CG 4.26Å; L8-L10 HydrophobicContact CD1-CD2 4.42Å; L10-T18 HydrophobicContact CD1-CG2 3.98Å; L10-T48 VanDerWaalsContact O-CB 3.26Å; L10-T48 WeakPolarHBondContact O-CB 3.46Å; L10-D49 HydrophobicContact CB-CB 4.11Å; L10-D49 PolarHBondContact N-O 3.47Å; L10-D49 PolarHBondContact O-N 3.43Å; L10-V51 HydrophobicContact CD1-CB 4.04Å; L10-V51 HydrophobicContact CD1-CG2 3.61Å; L10-P91 CarbonylContact C-O 3.45Å; L10-P91 WeakPolarHBondContact CA-O 3.46Å; L10-I92 HydrophobicContact CD2-CB 4.11Å; L10-I92 HydrophobicContact CD2-CG1 3.7Å; L10-I92 HydrophobicContact CD2-CG2 4.28Å; L10-L93 WeakPolarHBondContact O-CD1 3.41Å
11	Q	95.3	Very high	96.4	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	26%	0.257	S	S	.	.			trans	-53.1	141.6	163.5	-66.8	-175	13.4	0	0	109.7	G13 S14 P91 L93	Q11-G13 PolarHBondContact O-N 3.48Å; Q11-S14 WeakPolarHBondContact O-CB 3.45Å; Q11-S14 PolarHBondContact O-N 3.09Å; Q11-S14 VanDerWaalsContact O-N 3.14Å; Q11-P91 PolarHBondContact N-O 2.85Å; Q11-L93 HydrophobicContact CG-CD2 3.84Å; Q11-L93 HydrophobicContact CG-CG 4.26Å
12	K	96.5	Very high	96.4	Very high	104 Å²	104	51.8 Å²	51.8	45%	0.452	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	130.9	-178.2	-167.1	69	177.1	-176.7	0	110.5	T45 E46 D49	K12-T45 PolarHBondContact NZ-O 3.47Å; K12-T45 PolarHBondContact NZ-OG1 2.81Å; K12-E46 WeakPolarHBondContact CD-O 3.35Å; K12-E46 WeakPolarHBondContact CE-O 3.5Å; K12-E46 PolarHBondContact NZ-O 3.17Å; K12-D49 IonicContact NZ-OD1 2.58Å
13	G	96.4	Very high	96	Very high	60 Å²	60	60.1 Å²	60.1	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-10.3	-179.3	0	0	0	0	0	114.4	Q11 D49	Q11-G13 PolarHBondContact O-N 3.48Å; G13-D49 WeakPolarHBondContact CA-OD2 3.02Å; G13-D49 PolarHBondContact N-OD2 3.48Å
14	S	95.7	Very high	95.6	Very high	14 Å²	14	63.4 Å²	63.4	10%	0.098	30%	0.302	C	S	.	.			trans	-90.4	2.6	-178.4	-71.1	0	0	0	0	114.9	Q11 E16 E17 T18 D49 P91	Q11-S14 WeakPolarHBondContact O-CB 3.45Å; Q11-S14 PolarHBondContact O-N 3.09Å; Q11-S14 VanDerWaalsContact O-N 3.14Å; S14-E16 PolarHBondContact O-N 3.43Å; S14-E17 WeakPolarHBondContact CB-OE1 3.28Å; S14-E17 WeakPolarHBondContact O-CG 3.23Å; S14-E17 PolarHBondContact OG-OE1 3.35Å; S14-T18 WeakPolarHBondContact O-CB 3.5Å; S14-T18 PolarHBondContact O-N 3.1Å; S14-T18 PolarHBondContact O-OG1 3.45Å; S14-D49 PolarHBondContact N-OD2 2.88Å; S14-P91 VanDerWaalsContact CB-CB 3.46Å; S14-P91 WeakPolarHBondContact OG-CB 3.44Å
15	A	97.1	Very high	94.9	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-46.4	177.9	0	0	0	0	0	112.8	T18 I19 K41 D49 V51	A15-T18 PolarHBondContact O-N 3.2Å; A15-I19 VanDerWaalsContact O-CG1 3.25Å; A15-I19 WeakPolarHBondContact O-CG1 3.26Å; A15-I19 PolarHBondContact O-N 2.9Å; A15-K41 HydrophobicContact CB-CD 3.66Å; A15-K41 HydrophobicContact CB-CG 3.9Å; A15-D49 HydrophobicContact CB-CB 3.91Å; A15-D49 VanDerWaalsContact CB-OD2 3.27Å; A15-D49 WeakPolarHBondContact CB-OD2 3.21Å; A15-D49 PolarHBondContact N-OD2 2.88Å; A15-D49 VanDerWaalsContact N-OD2 3.12Å; A15-V51 HydrophobicContact CB-CG2 3.85Å
16	E	96.2	Very high	94.4	Very high	105 Å²	105	75.3 Å²	75.3	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-65.8	-50.7	-171.4	-159.6	64.7	-153.8	0	0	111.4	S14 T18 I19 E20	S14-E16 PolarHBondContact O-N 3.43Å; E16-T18 PolarHBondContact O-N 2.91Å; E16-I19 PolarHBondContact O-N 3.49Å; E16-E20 WeakPolarHBondContact O-CG 3.43Å; E16-E20 PolarHBondContact O-N 3.21Å
17	E	94.1	Very high	94.2	Very high	84 Å²	84	74 Å²	74	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-29.9	176.7	62.3	171.5	178.1	0	0	112.5	S14 R21	S14-E17 WeakPolarHBondContact CB-OE1 3.28Å; S14-E17 WeakPolarHBondContact O-CG 3.23Å; S14-E17 PolarHBondContact OG-OE1 3.35Å; E17-R21 WeakPolarHBondContact O-CG 3.4Å
18	T	93.5	Very high	94	Very high	8 Å²	8	71.3 Å²	71.3	5%	0.049	34%	0.338	C	S	.	.	H	α-helix	trans	-73.9	-40.8	177.3	-62.1	0	0	0	0	110.4	L8 L10 S14 A15 E16 R21 F22	L8-T18 HydrophobicContact CD1-CG2 4.15Å; L10-T18 HydrophobicContact CD1-CG2 3.98Å; S14-T18 WeakPolarHBondContact O-CB 3.5Å; S14-T18 PolarHBondContact O-N 3.1Å; S14-T18 PolarHBondContact O-OG1 3.45Å; A15-T18 PolarHBondContact O-N 3.2Å; E16-T18 PolarHBondContact O-N 2.91Å; T18-R21 WeakPolarHBondContact O-CB 3.46Å; T18-R21 PolarHBondContact O-N 2.82Å; T18-F22 HydrophobicContact CG2-CE2 4.44Å; T18-F22 VanDerWaalsContact O-CD2 3.26Å; T18-F22 WeakPolarHBondContact O-CD2 3.39Å; T18-F22 WeakPolarHBondContact O-CE2 3.47Å
19	I	96.3	Very high	93.9	Very high	23 Å²	23	74.5 Å²	74.5	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-41.4	177.2	-68.3	164.5	0	0	0	110.8	A15 E16 R21 F22 Y23 V39 K41 V51	A15-I19 VanDerWaalsContact O-CG1 3.25Å; A15-I19 WeakPolarHBondContact O-CG1 3.26Å; A15-I19 PolarHBondContact O-N 2.9Å; E16-I19 PolarHBondContact O-N 3.49Å; I19-R21 PolarHBondContact O-N 2.81Å; I19-R21 VanDerWaalsContact O-N 3.12Å; I19-F22 WeakPolarHBondContact O-CB 3.43Å; I19-F22 PolarHBondContact O-N 3.25Å; I19-Y23 HydrophobicContact CG2-CE2 4.39Å; I19-V39 HydrophobicContact CB-CG1 4.49Å; I19-V39 HydrophobicContact CG1-CG1 3.89Å; I19-V39 HydrophobicContact CG2-CG1 4.41Å; I19-K41 HydrophobicContact CD1-CB 3.96Å; I19-V51 HydrophobicContact CD1-CG2 4.18Å; I19-V51 HydrophobicContact CG1-CG1 4.13Å; I19-V51 HydrophobicContact CG1-CG2 4.13Å
20	E	95.3	Very high	93.8	Very high	115 Å²	115	75.8 Å²	75.8	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-55.2	-32.4	179.5	-78	-178	172.1	0	0	112.9	E16 F22 Y23	E16-E20 WeakPolarHBondContact O-CG 3.43Å; E16-E20 PolarHBondContact O-N 3.21Å; E20-F22 PolarHBondContact O-N 2.9Å; E20-Y23 WeakPolarHBondContact O-CD2 3.48Å; E20-Y23 PolarHBondContact O-N 2.88Å
21	R	91.8	Very high	93.9	Very high	150 Å²	150	77 Å²	77	57%	0.566	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61	-28.6	177.2	-66.2	172.9	-175.4	-124.2	2	113.1	E17 T18 I19 Y23 N24	E17-R21 WeakPolarHBondContact O-CG 3.4Å; T18-R21 WeakPolarHBondContact O-CB 3.46Å; T18-R21 PolarHBondContact O-N 2.82Å; I19-R21 PolarHBondContact O-N 2.81Å; I19-R21 VanDerWaalsContact O-N 3.12Å; R21-Y23 VanDerWaalsContact C-N 3.31Å; R21-Y23 PolarHBondContact O-N 2.95Å; R21-N24 PolarHBondContact O-N 2.84Å
22	F	93.6	Very high	94	Very high	78 Å²	78	81.7 Å²	81.7	34%	0.342	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-79.1	-10.4	-178.3	-68.4	-91.5	0	0	0	113.9	T18 I19 E20 N24 M37 V39 I53	T18-F22 HydrophobicContact CG2-CE2 4.44Å; T18-F22 VanDerWaalsContact O-CD2 3.26Å; T18-F22 WeakPolarHBondContact O-CD2 3.39Å; T18-F22 WeakPolarHBondContact O-CE2 3.47Å; I19-F22 WeakPolarHBondContact O-CB 3.43Å; I19-F22 PolarHBondContact O-N 3.25Å; E20-F22 PolarHBondContact O-N 2.9Å; F22-N24 PolarHBondContact O-N 3.46Å; F22-M37 HydrophobicContact CD1-SD 4.16Å; F22-V39 HydrophobicContact CB-CG2 3.92Å; F22-V39 HydrophobicContact CD1-CG2 3.9Å; F22-V39 HydrophobicContact CD2-CG1 4.04Å; F22-V39 HydrophobicContact CD2-CG2 4.19Å; F22-V39 HydrophobicContact CE2-CG1 4.32Å; F22-V39 HydrophobicContact CG-CG1 4.42Å; F22-V39 HydrophobicContact CG-CG2 3.73Å; F22-I53 HydrophobicContact CE1-CG1 3.67Å; F22-I53 HydrophobicContact CE1-CG2 4.19Å; F22-I53 HydrophobicContact CE2-CD1 4.46Å; F22-I53 HydrophobicContact CE2-CG1 4.15Å; F22-I53 HydrophobicContact CZ-CD1 3.89Å; F22-I53 HydrophobicContact CZ-CG1 3.41Å; F22-I53 VanDerWaalsContact CZ-CG1 3.41Å
23	Y	92.1	Very high	94.1	Very high	180 Å²	180	77 Å²	77	71%	0.706	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.9	-27	171.3	-74.4	-94.3	0	0	0	112	I19 E20 R21 R25	I19-Y23 HydrophobicContact CG2-CE2 4.39Å; E20-Y23 WeakPolarHBondContact O-CD2 3.48Å; E20-Y23 PolarHBondContact O-N 2.88Å; R21-Y23 VanDerWaalsContact C-N 3.31Å; R21-Y23 PolarHBondContact O-N 2.95Å; Y23-R25 PolarHBondContact O-N 3.21Å
24	N	88.9	Confident	94.2	Very high	118 Å²	118	75.5 Å²	75.5	63%	0.631	35%	0.352	S	S	*	.	S	Bend	trans	-83.9	97.3	172.7	-67.6	-45.2	0	0	0	109.4	R21 F22	R21-N24 PolarHBondContact O-N 2.84Å; F22-N24 PolarHBondContact O-N 3.46Å
25	R	84	Confident	94.2	Very high	158 Å²	158	79.1 Å²	79.1	60%	0.596	37%	0.368	S	S	*	.			trans	-62.4	139.2	179.5	-65.4	-156.7	135.3	-169.1	-4.5	111.8	Y23 E29	Y23-R25 PolarHBondContact O-N 3.21Å; R25-E29 IonicContact NH1-OE2 3.92Å
26	Q	88.3	Confident	94.2	Very high	108 Å²	108	82.2 Å²	82.2	51%	0.505	38%	0.382	S	S	.	.			trans	-115.2	18.8	-178.9	-61.9	-70.5	-32.4	0	0	112	V71 A75	Q26-V71 WeakPolarHBondContact O-CG1 3.48Å; Q26-A75 HydrophobicContact CB-CB 3.54Å; Q26-A75 HydrophobicContact CG-CB 3.94Å
27	G	93.5	Very high	94.3	Very high	16 Å²	16	80 Å²	80	17%	0.165	37%	0.372	C	S	.	.	S	Bend	trans	89.5	9.2	173.1	0	0	0	0	0	116	E29 T30 V71	G27-E29 WeakPolarHBondContact CA-OE2 3.47Å; G27-E29 PolarHBondContact O-N 3.21Å; G27-E29 VanDerWaalsContact O-N 3.1Å; G27-T30 WeakPolarHBondContact O-CB 3.35Å; G27-T30 PolarHBondContact O-N 3.04Å; G27-T30 PolarHBondContact O-OG1 3.31Å; G27-V71 VanDerWaalsContact C-CG1 3.41Å; G27-V71 WeakPolarHBondContact O-CG1 3.22Å
28	I	95.4	Very high	94.4	Very high	16 Å²	16	81 Å²	81	8%	0.082	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-55.9	-31	176.5	-166.8	171.9	0	0	0	112.2	T30 I31 F34 M37 T55 W57 W66	I28-T30 PolarHBondContact O-N 3.42Å; I28-I31 WeakPolarHBondContact O-CB 3.47Å; I28-I31 WeakPolarHBondContact O-CG1 3.47Å; I28-I31 PolarHBondContact O-N 3.12Å; I28-I31 VanDerWaalsContact O-N 3.13Å; I28-F34 HydrophobicContact CD1-CD2 3.88Å; I28-F34 HydrophobicContact CD1-CE2 3.75Å; I28-F34 HydrophobicContact CG1-CD2 3.81Å; I28-F34 HydrophobicContact CG1-CE2 4Å; I28-F34 HydrophobicContact CG1-CG 4.21Å; I28-F34 HydrophobicContact CG2-CE1 4.29Å; I28-F34 HydrophobicContact CG2-CE2 4.3Å; I28-F34 HydrophobicContact CG2-CZ 4.05Å; I28-M37 HydrophobicContact CD1-CE 3.49Å; I28-M37 VanDerWaalsContact CD1-CE 3.49Å; I28-M37 HydrophobicContact CG2-CE 4.04Å; I28-T55 HydrophobicContact CD1-CG2 4.26Å; I28-W57 HydrophobicContact CD1-CH2 3.88Å; I28-W57 HydrophobicContact CD1-CZ2 3.85Å; I28-W57 HydrophobicContact CG1-CH2 3.85Å; I28-W57 HydrophobicContact CG1-CZ2 4.35Å; I28-W66 HydrophobicContact CD1-CD2 4.19Å; I28-W66 HydrophobicContact CD1-CH2 4.38Å; I28-W66 HydrophobicContact CD1-CZ2 3.63Å; I28-W66 HydrophobicContact CG1-CD2 4.5Å; I28-W66 HydrophobicContact CG1-CG 4.47Å; I28-W66 HydrophobicContact CG1-CZ2 4.4Å
29	E	94.6	Very high	94.6	Very high	81 Å²	81	82.6 Å²	82.6	38%	0.379	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-63.4	-15.9	175.1	67.2	-83.8	-164	0	0	114.7	R25 G27 I31	R25-E29 IonicContact NH1-OE2 3.92Å; G27-E29 WeakPolarHBondContact CA-OE2 3.47Å; G27-E29 PolarHBondContact O-N 3.21Å; G27-E29 VanDerWaalsContact O-N 3.1Å; E29-I31 VanDerWaalsContact C-N 3.33Å
30	T	95.9	Very high	94.7	Very high	102 Å²	102	84 Å²	84	63%	0.626	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-88.1	-4.3	176.7	76.1	0	0	0	0	112.6	G27 I28	G27-T30 WeakPolarHBondContact O-CB 3.35Å; G27-T30 PolarHBondContact O-N 3.04Å; G27-T30 PolarHBondContact O-OG1 3.31Å; I28-T30 PolarHBondContact O-N 3.42Å
31	I	97.1	Very high	94.9	Very high	26 Å²	26	83 Å²	83	13%	0.133	39%	0.388	C	S	.	.	S	Bend	trans	-85.3	126.6	-179.2	-54.7	-66.9	0	0	0	109.8	I28 E29 G33 F34 W57 W66 V71	I28-I31 WeakPolarHBondContact O-CB 3.47Å; I28-I31 WeakPolarHBondContact O-CG1 3.47Å; I28-I31 PolarHBondContact O-N 3.12Å; I28-I31 VanDerWaalsContact O-N 3.13Å; E29-I31 VanDerWaalsContact C-N 3.33Å; I31-G33 PolarHBondContact O-N 3.45Å; I31-F34 WeakPolarHBondContact O-CB 3.25Å; I31-F34 PolarHBondContact O-N 3.39Å; I31-F34 VanDerWaalsContact O-N 3.11Å; I31-W57 HydrophobicContact CB-CZ3 4.31Å; I31-W57 HydrophobicContact CG2-CZ3 4Å; I31-W66 HydrophobicContact CG1-CB 4.49Å; I31-W66 HydrophobicContact CG1-CG 4.47Å; I31-W66 HydrophobicContact CG2-CB 4.02Å; I31-V71 HydrophobicContact CD1-CB 4.01Å; I31-V71 HydrophobicContact CD1-CG1 4.33Å; I31-V71 HydrophobicContact CD1-CG2 3.88Å; I31-V71 HydrophobicContact CG1-CG1 4.35Å
32	E	97.7	Very high	95.2	Very high	170 Å²	170	77.8 Å²	77.8	79%	0.794	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.1	175.7	-172.5	174.7	-170.8	0	0	111.2	F34	E32-F34 VanDerWaalsContact C-N 3.35Å
33	G	98	Very high	95.4	Very high	6 Å²	6	80.4 Å²	80.4	6%	0.062	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.1	-178.3	0	0	0	0	0	115.7	I31 W57 E58	I31-G33 PolarHBondContact O-N 3.45Å; G33-W57 CarbonylContact O-C 3.56Å; G33-W57 VanDerWaalsContact O-CA 3.23Å; G33-W57 WeakPolarHBondContact O-CA 3.33Å; G33-E58 PolarHBondContact O-N 2.78Å
34	F	98.3	Very high	95.6	Very high	28 Å²	28	79.9 Å²	79.9	12%	0.123	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.3	165.5	176.5	-103.5	0	0	0	110.4	I28 I31 E32 Q36 M37 W57	I28-F34 HydrophobicContact CD1-CD2 3.88Å; I28-F34 HydrophobicContact CD1-CE2 3.75Å; I28-F34 HydrophobicContact CG1-CD2 3.81Å; I28-F34 HydrophobicContact CG1-CE2 4Å; I28-F34 HydrophobicContact CG1-CG 4.21Å; I28-F34 HydrophobicContact CG2-CE1 4.29Å; I28-F34 HydrophobicContact CG2-CE2 4.3Å; I28-F34 HydrophobicContact CG2-CZ 4.05Å; I31-F34 WeakPolarHBondContact O-CB 3.25Å; I31-F34 PolarHBondContact O-N 3.39Å; I31-F34 VanDerWaalsContact O-N 3.11Å; E32-F34 VanDerWaalsContact C-N 3.35Å; F34-Q36 VanDerWaalsContact CE2-O 3.28Å; F34-Q36 WeakPolarHBondContact CE2-O 3.13Å; F34-Q36 VanDerWaalsContact CZ-C 3.4Å; F34-M37 HydrophobicContact CE2-CB 4.1Å; F34-M37 HydrophobicContact CZ-CB 3.8Å; F34-W57 VanDerWaalsContact CA-CE3 3.49Å; F34-W57 HydrophobicContact CB-CE3 3.92Å; F34-W57 HydrophobicContact CB-CH2 4.06Å; F34-W57 HydrophobicContact CB-CZ3 3.51Å; F34-W57 HydrophobicContact CD2-CD2 4.44Å; F34-W57 HydrophobicContact CD2-CE3 4.3Å; F34-W57 AromaticContact CD2-CH2 3.73Å; F34-W57 HydrophobicContact CD2-CH2 3.73Å; F34-W57 AromaticContact CD2-CZ2 3.89Å; F34-W57 HydrophobicContact CD2-CZ2 3.89Å; F34-W57 AromaticContact CD2-CZ3 3.96Å; F34-W57 HydrophobicContact CD2-CZ3 3.96Å; F34-W57 HydrophobicContact CG-CH2 4.33Å; F34-W57 HydrophobicContact CG-CZ3 4.22Å
35	Q	97.2	Very high	95.9	Very high	90 Å²	90	76 Å²	76	42%	0.421	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-57.2	-178.4	-64.7	-68.1	-33.1	0	0	111.5	I56 E58	Q35-I56 HydrophobicContact CB-CB 4.16Å; Q35-I56 HydrophobicContact CB-CG2 4.06Å; Q35-I56 WeakPolarHBondContact CB-O 3.36Å; Q35-I56 PolarHBondContact N-O 2.81Å; Q35-E58 HydrophobicContact CG-CG 4.19Å; Q35-E58 PolarHBondContact NE2-OE1 3.24Å
36	Q	96.5	Very high	96.4	Very high	64 Å²	64	76.4 Å²	76.4	30%	0.299	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158	-173	-68.6	-178.6	-16.9	0	0	111.5	F34 F38 T55 I56	F34-Q36 VanDerWaalsContact CE2-O 3.28Å; F34-Q36 WeakPolarHBondContact CE2-O 3.13Å; F34-Q36 VanDerWaalsContact CZ-C 3.4Å; Q36-F38 HydrophobicContact CB-CE2 4.18Å; Q36-T55 WeakPolarHBondContact O-CA 3.3Å; Q36-I56 HydrophobicContact CB-CB 4.13Å; Q36-I56 HydrophobicContact CB-CG1 3.99Å; Q36-I56 PolarHBondContact N-O 3.21Å; Q36-I56 PolarHBondContact O-N 3.33Å
37	M	97.4	Very high	96.8	Very high	59 Å²	59	77.8 Å²	77.8	29%	0.291	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.1	170.4	178.1	-175.2	-68.6	0	0	109.7	F22 I28 F34 V39 I53 L54 T55	F22-M37 HydrophobicContact CD1-SD 4.16Å; I28-M37 HydrophobicContact CD1-CE 3.49Å; I28-M37 VanDerWaalsContact CD1-CE 3.49Å; I28-M37 HydrophobicContact CG2-CE 4.04Å; F34-M37 HydrophobicContact CE2-CB 4.1Å; F34-M37 HydrophobicContact CZ-CB 3.8Å; M37-V39 HydrophobicContact CG-CG2 4.33Å; M37-V39 HydrophobicContact SD-CG2 4.21Å; M37-I53 HydrophobicContact CE-CG2 4.26Å; M37-I53 HydrophobicContact CG-CG2 4.15Å; M37-I53 HydrophobicContact SD-CG2 4.06Å; M37-L54 CarbonylContact C-O 3.5Å; M37-L54 VanDerWaalsContact CA-O 3.23Å; M37-L54 WeakPolarHBondContact CA-O 3.14Å; M37-T55 HydrophobicContact CB-CG2 4.37Å; M37-T55 HydrophobicContact CE-CG2 3.67Å; M37-T55 HydrophobicContact CG-CG2 4.11Å
38	F	97.6	Very high	97	Very high	106 Å²	106	78.9 Å²	78.9	47%	0.465	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	168	-58.6	-92	0	0	0	108.8	Q36 T40 L54 I56	Q36-F38 HydrophobicContact CB-CE2 4.18Å; F38-T40 HydrophobicContact CB-CG2 4.35Å; F38-L54 HydrophobicContact CB-CB 4.24Å; F38-L54 HydrophobicContact CB-CD1 4.45Å; F38-L54 PolarHBondContact N-O 2.79Å; F38-L54 PolarHBondContact O-N 2.76Å; F38-I56 HydrophobicContact CE2-CG1 4.4Å
39	V	98	Very high	97.1	Very high	41 Å²	41	78.3 Å²	78.3	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.6	170.2	-171.3	0	0	0	0	106.8	I19 F22 M37 V51 K52 I53	I19-V39 HydrophobicContact CB-CG1 4.49Å; I19-V39 HydrophobicContact CG1-CG1 3.89Å; I19-V39 HydrophobicContact CG2-CG1 4.41Å; F22-V39 HydrophobicContact CB-CG2 3.92Å; F22-V39 HydrophobicContact CD1-CG2 3.9Å; F22-V39 HydrophobicContact CD2-CG1 4.04Å; F22-V39 HydrophobicContact CD2-CG2 4.19Å; F22-V39 HydrophobicContact CE2-CG1 4.32Å; F22-V39 HydrophobicContact CG-CG1 4.42Å; F22-V39 HydrophobicContact CG-CG2 3.73Å; M37-V39 HydrophobicContact CG-CG2 4.33Å; M37-V39 HydrophobicContact SD-CG2 4.21Å; V39-V51 HydrophobicContact CG1-CG1 3.7Å; V39-K52 CarbonylContact C-O 3.51Å; V39-K52 WeakPolarHBondContact CA-O 3.35Å; V39-I53 HydrophobicContact CG1-CG1 4.48Å
40	T	98.6	Very high	97.3	Very high	52 Å²	52	75.8 Å²	75.8	32%	0.319	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.1	-172.7	69.4	0	0	0	0	110.9	F38 V51 K52 L54	F38-T40 HydrophobicContact CB-CG2 4.35Å; T40-V51 CarbonylContact O-C 3.59Å; T40-V51 VanDerWaalsContact O-CA 3.25Å; T40-V51 WeakPolarHBondContact O-CA 3.48Å; T40-K52 PolarHBondContact N-O 2.95Å; T40-K52 PolarHBondContact O-N 2.85Å; T40-K52 WeakPolarHBondContact OG1-CB 3.46Å; T40-L54 HydrophobicContact CG2-CD1 4.39Å
41	K	98.2	Very high	97.4	Very high	93 Å²	93	71 Å²	71	40%	0.404	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.5	164.8	-176.6	177.3	179.6	173.7	0	109.6	A15 I19 L43	A15-K41 HydrophobicContact CB-CD 3.66Å; A15-K41 HydrophobicContact CB-CG 3.9Å; I19-K41 HydrophobicContact CD1-CB 3.96Å; K41-L43 PolarHBondContact O-N 3.32Å
42	T	98.4	Very high	97.5	Very high	42 Å²	42	71.9 Å²	71.9	26%	0.258	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-70.7	129.3	172.7	-56.6	0	0	0	0	109.4	T45 E50	T42-T45 HydrophobicContact CG2-CG2 3.95Å; T42-E50 PolarHBondContact N-O 2.87Å; T42-E50 PolarHBondContact OG1-OE1 2.7Å
43	L	97.7	Very high	97.5	Very high	133 Å²	133	64.4 Å²	64.4	70%	0.696	33%	0.328	S	S	*	.	S	Bend	trans	-83.4	157.6	179.6	-58.4	-179.1	0	0	0	111.3	K41 T45	K41-L43 PolarHBondContact O-N 3.32Å; L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 PolarHBondContact O-N 3.19Å
44	N	96.2	Very high	97.5	Very high	168 Å²	168	65.6 Å²	65.6	90%	0.898	33%	0.332	S	S	*	.	S	Bend	trans	58.7	34.5	173	-50.2	-29.4	0	0	0	114.4
45	T	96.4	Very high	97.5	Very high	37 Å²	37	64.5 Å²	64.5	23%	0.227	33%	0.328	C	S	.	.			trans	-79.7	148	169.6	64.8	0	0	0	0	110.6	K12 T42 L43 T48 E50	K12-T45 PolarHBondContact NZ-O 3.47Å; K12-T45 PolarHBondContact NZ-OG1 2.81Å; T42-T45 HydrophobicContact CG2-CG2 3.95Å; L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 PolarHBondContact O-N 3.19Å; T45-T48 WeakPolarHBondContact CB-O 3.48Å; T45-T48 PolarHBondContact OG1-O 3.26Å; T45-E50 HydrophobicContact CG2-CB 4.47Å
46	E	93.8	Very high	97.6	Very high	166 Å²	166	60.7 Å²	60.7	78%	0.776	31%	0.31	S	S	*	.	S	Bend	trans	-90.1	-80.3	-179.9	-63.5	-175.1	170.7	0	0	110.8	K12	K12-E46 WeakPolarHBondContact CD-O 3.35Å; K12-E46 WeakPolarHBondContact CE-O 3.5Å; K12-E46 PolarHBondContact NZ-O 3.17Å
47	D	95.9	Very high	97.7	Very high	138 Å²	138	57.6 Å²	57.6	74%	0.738	30%	0.296	S	S	*	.	S	Bend	trans	-81.6	-29.1	-167.1	-57.7	-45.6	0	0	0	115.2
48	T	97.5	Very high	97.7	Very high	38 Å²	38	59.8 Å²	59.8	23%	0.233	31%	0.306	C	S	.	.	S	Bend	trans	-130.7	158.3	-174.3	54.5	0	0	0	0	110.3	L10 T45 L93	L10-T48 VanDerWaalsContact O-CB 3.26Å; L10-T48 WeakPolarHBondContact O-CB 3.46Å; T45-T48 WeakPolarHBondContact CB-O 3.48Å; T45-T48 PolarHBondContact OG1-O 3.26Å; T48-L93 HydrophobicContact CG2-CD1 3.43Å; T48-L93 VanDerWaalsContact CG2-CD1 3.43Å
49	D	98.1	Very high	97.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148	165.3	-83.2	-8.5	0	0	0	109.3	L10 K12 G13 S14 A15	L10-D49 HydrophobicContact CB-CB 4.11Å; L10-D49 PolarHBondContact N-O 3.47Å; L10-D49 PolarHBondContact O-N 3.43Å; K12-D49 IonicContact NZ-OD1 2.58Å; G13-D49 WeakPolarHBondContact CA-OD2 3.02Å; G13-D49 PolarHBondContact N-OD2 3.48Å; S14-D49 PolarHBondContact N-OD2 2.88Å; A15-D49 HydrophobicContact CB-CB 3.91Å; A15-D49 VanDerWaalsContact CB-OD2 3.27Å; A15-D49 WeakPolarHBondContact CB-OD2 3.21Å; A15-D49 PolarHBondContact N-OD2 2.88Å; A15-D49 VanDerWaalsContact N-OD2 3.12Å
50	E	98.4	Very high	97.8	Very high	28 Å²	28	58.8 Å²	58.8	13%	0.131	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.5	171.6	179.9	-176.3	89.3	0	0	109.1	R7 L8 T42 T45 K52	R7-E50 WeakPolarHBondContact CD-OE2 3.42Å; R7-E50 HydrophobicContact CG-CG 3.89Å; R7-E50 IonicContact CZ-OE2 3.84Å; R7-E50 IonicContact NE-OE2 2.91Å; R7-E50 IonicContact NH1-OE2 3.08Å; L8-E50 WeakPolarHBondContact O-CA 3.47Å; T42-E50 PolarHBondContact N-O 2.87Å; T42-E50 PolarHBondContact OG1-OE1 2.7Å; T45-E50 HydrophobicContact CG2-CB 4.47Å; E50-K52 HydrophobicContact CG-CG 4.43Å; E50-K52 WeakPolarHBondContact OE1-CE 3.5Å
51	V	98.4	Very high	97.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.9	172.5	172.2	0	0	0	0	108.4	L8 L10 A15 I19 V39 T40 I53	L8-V51 PolarHBondContact N-O 3.2Å; L8-V51 PolarHBondContact O-N 2.8Å; L10-V51 HydrophobicContact CD1-CB 4.04Å; L10-V51 HydrophobicContact CD1-CG2 3.61Å; A15-V51 HydrophobicContact CB-CG2 3.85Å; I19-V51 HydrophobicContact CD1-CG2 4.18Å; I19-V51 HydrophobicContact CG1-CG1 4.13Å; I19-V51 HydrophobicContact CG1-CG2 4.13Å; V39-V51 HydrophobicContact CG1-CG1 3.7Å; T40-V51 CarbonylContact O-C 3.59Å; T40-V51 VanDerWaalsContact O-CA 3.25Å; T40-V51 WeakPolarHBondContact O-CA 3.48Å; V51-I53 HydrophobicContact CG1-CD1 4.29Å
52	K	98.6	Very high	97.7	Very high	45 Å²	45	57.8 Å²	57.8	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.9	176.4	-59.3	174.2	172	-135.7	0	109.9	E5 N6 R7 V39 T40 E50 L54	E5-K52 HydrophobicContact CG-CB 4.31Å; E5-K52 HydrophobicContact CG-CG 4.43Å; E5-K52 WeakPolarHBondContact OE1-CD 3.26Å; E5-K52 WeakPolarHBondContact OE1-CE 3.42Å; E5-K52 IonicContact OE1-NZ 3.37Å; E5-K52 PolarHBondContact OE1-NZ 3.41Å; E5-K52 IonicContact OE2-NZ 2.79Å; E5-K52 PolarHBondContact OE2-NZ 3.29Å; N6-K52 WeakPolarHBondContact O-CA 3.25Å; R7-K52 HydrophobicContact CB-CG 4.43Å; R7-K52 HydrophobicContact CG-CG 4.03Å; V39-K52 CarbonylContact C-O 3.51Å; V39-K52 WeakPolarHBondContact CA-O 3.35Å; T40-K52 PolarHBondContact N-O 2.95Å; T40-K52 PolarHBondContact O-N 2.85Å; T40-K52 WeakPolarHBondContact OG1-CB 3.46Å; E50-K52 HydrophobicContact CG-CG 4.43Å; E50-K52 WeakPolarHBondContact OE1-CE 3.5Å; K52-L54 HydrophobicContact CB-CD2 4.16Å; K52-L54 HydrophobicContact CB-CG 4.47Å
53	I	98.1	Very high	97.7	Very high	13 Å²	13	56 Å²	56	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	106.3	170.1	-55.8	79.8	0	0	0	106.4	E5 N6 L8 F22 M37 V39 V51 T55	E5-I53 CarbonylContact C-O 3.54Å; E5-I53 WeakPolarHBondContact CA-O 3.34Å; N6-I53 HydrophobicContact CB-CB 4.34Å; N6-I53 HydrophobicContact CB-CD1 4.5Å; N6-I53 PolarHBondContact N-O 2.63Å; N6-I53 WeakPolarHBondContact O-CD1 3.36Å; N6-I53 PolarHBondContact O-N 3.46Å; L8-I53 HydrophobicContact CD1-CD1 3.68Å; L8-I53 HydrophobicContact CG-CD1 3.81Å; F22-I53 HydrophobicContact CE1-CG1 3.67Å; F22-I53 HydrophobicContact CE1-CG2 4.19Å; F22-I53 HydrophobicContact CE2-CD1 4.46Å; F22-I53 HydrophobicContact CE2-CG1 4.15Å; F22-I53 HydrophobicContact CZ-CD1 3.89Å; F22-I53 HydrophobicContact CZ-CG1 3.41Å; F22-I53 VanDerWaalsContact CZ-CG1 3.41Å; M37-I53 HydrophobicContact CE-CG2 4.26Å; M37-I53 HydrophobicContact CG-CG2 4.15Å; M37-I53 HydrophobicContact SD-CG2 4.06Å; V39-I53 HydrophobicContact CG1-CG1 4.48Å; V51-I53 HydrophobicContact CG1-CD1 4.29Å; I53-T55 HydrophobicContact CG2-CG2 4.22Å
54	L	98.5	Very high	97.7	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.162	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123	177.7	-49.8	177.1	0	0	0	108.1	A4 E5 M37 F38 T40 K52	A4-L54 WeakPolarHBondContact O-CA 3.25Å; E5-L54 HydrophobicContact CB-CD2 3.6Å; E5-L54 HydrophobicContact CG-CD2 3.61Å; M37-L54 CarbonylContact C-O 3.5Å; M37-L54 VanDerWaalsContact CA-O 3.23Å; M37-L54 WeakPolarHBondContact CA-O 3.14Å; F38-L54 HydrophobicContact CB-CB 4.24Å; F38-L54 HydrophobicContact CB-CD1 4.45Å; F38-L54 PolarHBondContact N-O 2.79Å; F38-L54 PolarHBondContact O-N 2.76Å; T40-L54 HydrophobicContact CG2-CD1 4.39Å; K52-L54 HydrophobicContact CB-CD2 4.16Å; K52-L54 HydrophobicContact CB-CG 4.47Å
55	T	98.4	Very high	97.8	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	178.2	54	0	0	0	0	109.9	M3 A4 I28 Q36 M37 I53 W57	M3-T55 CarbonylContact C-O 3.5Å; M3-T55 VanDerWaalsContact CA-O 3.26Å; M3-T55 WeakPolarHBondContact CA-O 3.48Å; A4-T55 PolarHBondContact N-O 2.86Å; A4-T55 PolarHBondContact O-N 3.33Å; A4-T55 PolarHBondContact O-OG1 2.89Å; I28-T55 HydrophobicContact CD1-CG2 4.26Å; Q36-T55 WeakPolarHBondContact O-CA 3.3Å; M37-T55 HydrophobicContact CB-CG2 4.37Å; M37-T55 HydrophobicContact CE-CG2 3.67Å; M37-T55 HydrophobicContact CG-CG2 4.11Å; I53-T55 HydrophobicContact CG2-CG2 4.22Å; T55-W57 PolarHBondContact OG1-NE1 3.08Å
56	I	98.4	Very high	97.8	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.4	-178.9	-47	-59.6	0	0	0	108.7	M1 F2 M3 Q35 Q36 F38 I102	M1-I56 HydrophobicContact CE-CG2 3.44Å; M1-I56 VanDerWaalsContact CE-CG2 3.44Å; F2-I56 WeakPolarHBondContact O-CA 3.44Å; M3-I56 HydrophobicContact CB-CD1 4.13Å; M3-I56 HydrophobicContact CE-CD1 3.29Å; M3-I56 HydrophobicContact CG-CD1 3.78Å; M3-I56 HydrophobicContact SD-CD1 4.24Å; Q35-I56 HydrophobicContact CB-CB 4.16Å; Q35-I56 HydrophobicContact CB-CG2 4.06Å; Q35-I56 WeakPolarHBondContact CB-O 3.36Å; Q35-I56 PolarHBondContact N-O 2.81Å; Q36-I56 HydrophobicContact CB-CB 4.13Å; Q36-I56 HydrophobicContact CB-CG1 3.99Å; Q36-I56 PolarHBondContact N-O 3.21Å; Q36-I56 PolarHBondContact O-N 3.33Å; F38-I56 HydrophobicContact CE2-CG1 4.4Å; I56-I102 HydrophobicContact CD1-CD1 3.95Å; I56-I102 HydrophobicContact CG2-CD1 3.74Å
57	W	98.6	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.7	-174.3	-54.7	86.8	0	0	0	111.4	M1 F2 I28 I31 G33 F34 T55 S59 F63 W66	M1-W57 CarbonylContact C-O 3.57Å; M1-W57 VanDerWaalsContact CA-O 3.32Å; M1-W57 WeakPolarHBondContact CA-O 3.49Å; F2-W57 HydrophobicContact CB-CB 4.35Å; F2-W57 HydrophobicContact CD1-CB 4.28Å; F2-W57 AromaticContact CD1-CD1 3.96Å; F2-W57 HydrophobicContact CD1-CG 4.38Å; F2-W57 PolarHBondContact N-O 3.37Å; F2-W57 PolarHBondContact O-N 2.92Å; I28-W57 HydrophobicContact CD1-CH2 3.88Å; I28-W57 HydrophobicContact CD1-CZ2 3.85Å; I28-W57 HydrophobicContact CG1-CH2 3.85Å; I28-W57 HydrophobicContact CG1-CZ2 4.35Å; I31-W57 HydrophobicContact CB-CZ3 4.31Å; I31-W57 HydrophobicContact CG2-CZ3 4Å; G33-W57 CarbonylContact O-C 3.56Å; G33-W57 VanDerWaalsContact O-CA 3.23Å; G33-W57 WeakPolarHBondContact O-CA 3.33Å; F34-W57 VanDerWaalsContact CA-CE3 3.49Å; F34-W57 HydrophobicContact CB-CE3 3.92Å; F34-W57 HydrophobicContact CB-CH2 4.06Å; F34-W57 HydrophobicContact CB-CZ3 3.51Å; F34-W57 HydrophobicContact CD2-CD2 4.44Å; F34-W57 HydrophobicContact CD2-CE3 4.3Å; F34-W57 AromaticContact CD2-CH2 3.73Å; F34-W57 HydrophobicContact CD2-CH2 3.73Å; F34-W57 AromaticContact CD2-CZ2 3.89Å; F34-W57 HydrophobicContact CD2-CZ2 3.89Å; F34-W57 AromaticContact CD2-CZ3 3.96Å; F34-W57 HydrophobicContact CD2-CZ3 3.96Å; F34-W57 HydrophobicContact CG-CH2 4.33Å; F34-W57 HydrophobicContact CG-CZ3 4.22Å; T55-W57 PolarHBondContact OG1-NE1 3.08Å; W57-S59 WeakPolarHBondContact CB-O 3.44Å; W57-F63 HydrophobicContact CB-CB 4.49Å; W57-F63 HydrophobicContact CD2-CB 3.93Å; W57-F63 AromaticContact CE2-CD2 3.76Å; W57-F63 HydrophobicContact CG-CB 3.85Å; W57-F63 HydrophobicContact CZ2-CD2 4.06Å; W57-F63 AromaticContact NE1-CD2 3.47Å; W57-W66 HydrophobicContact CH2-CB 3.39Å; W57-W66 AromaticContact CH2-CD2 3.72Å; W57-W66 HydrophobicContact CH2-CD2 3.72Å; W57-W66 HydrophobicContact CH2-CE3 4.15Å; W57-W66 AromaticContact CH2-CG 3.43Å; W57-W66 HydrophobicContact CH2-CG 3.43Å; W57-W66 VanDerWaalsContact CH2-CG 3.43Å; W57-W66 HydrophobicContact CZ2-CB 4.12Å; W57-W66 AromaticContact CZ2-CD2 3.79Å; W57-W66 HydrophobicContact CZ2-CD2 3.79Å; W57-W66 AromaticContact CZ2-CE3 3.77Å; W57-W66 HydrophobicContact CZ2-CE3 3.77Å; W57-W66 HydrophobicContact CZ2-CG 4Å; W57-W66 HydrophobicContact CZ2-CZ3 4.45Å; W57-W66 HydrophobicContact CZ3-CB 3.81Å; W57-W66 HydrophobicContact CZ3-CG 4.3Å
58	E	98.1	Very high	97.9	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	22%	0.223	S	C	.	.	S	Bend	trans	-61.2	-46.3	172	-70.6	-179.3	-177.9	0	0	111.3	M1 G33 Q35	M1-E58 WeakPolarHBondContact CA-O 3.44Å; M1-E58 PolarHBondContact N-O 2.94Å; G33-E58 PolarHBondContact O-N 2.78Å; Q35-E58 HydrophobicContact CG-CG 4.19Å; Q35-E58 PolarHBondContact NE2-OE1 3.24Å
59	S	98.3	Very high	97.8	Very high	44 Å²	44	42 Å²	42	31%	0.308	22%	0.219	S	C	.	.			trans	-143.2	167.2	-179.3	71.8	0	0	0	0	112.1	W57 D61 S62 F63	W57-S59 WeakPolarHBondContact CB-O 3.44Å; S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 2.87Å; S59-D61 PolarHBondContact OG-N 2.83Å; S59-S62 PolarHBondContact O-N 3.17Å; S59-S62 PolarHBondContact OG-N 2.9Å; S59-S62 VanDerWaalsContact OG-N 3.09Å; S59-S62 PolarHBondContact OG-OG 2.96Å; S59-F63 PolarHBondContact O-N 3.12Å
60	E	98.3	Very high	97.7	Very high	81 Å²	81	47 Å²	47	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-33.9	169.8	-177.1	172.5	-165.7	0	0	111.6	F2 S62 F63 N64 K99	F2-E60 HydrophobicContact CD1-CB 4.48Å; F2-E60 HydrophobicContact CD2-CB 3.71Å; F2-E60 HydrophobicContact CD2-CG 4.2Å; F2-E60 HydrophobicContact CE1-CG 4.37Å; F2-E60 HydrophobicContact CE2-CB 3.76Å; F2-E60 HydrophobicContact CE2-CG 3.71Å; F2-E60 HydrophobicContact CG-CB 4.07Å; F2-E60 HydrophobicContact CZ-CB 4.18Å; F2-E60 HydrophobicContact CZ-CG 3.8Å; E60-S62 PolarHBondContact O-N 3.05Å; E60-F63 WeakPolarHBondContact O-CB 3.19Å; E60-F63 PolarHBondContact O-N 3.46Å; E60-N64 PolarHBondContact O-N 3.07Å; E60-N64 PolarHBondContact O-ND2 2.87Å; E60-K99 WeakPolarHBondContact OE1-CD 3.04Å; E60-K99 IonicContact OE1-NZ 2.7Å; E60-K99 PolarHBondContact OE1-NZ 3.26Å
61	D	98.2	Very high	97.6	Very high	112 Å²	112	47.4 Å²	47.4	60%	0.599	25%	0.25	S	C	*	.	H	α-helix	trans	-63.9	-40	177.9	-69.9	-27.4	0	0	0	111.9	S59 F63 N64 N65	S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 2.87Å; S59-D61 PolarHBondContact OG-N 2.83Å; D61-F63 VanDerWaalsContact C-N 3.31Å; D61-F63 PolarHBondContact O-N 2.96Å; D61-N64 PolarHBondContact O-N 3.21Å; D61-N65 WeakPolarHBondContact O-CB 3.48Å; D61-N65 PolarHBondContact O-N 3.34Å; D61-N65 PolarHBondContact O-ND2 3.19Å
62	S	98.1	Very high	97.3	Very high	12 Å²	12	49.7 Å²	49.7	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-42.9	173.6	-59.2	0	0	0	0	111.8	S59 E60 N65 W66	S59-S62 PolarHBondContact O-N 3.17Å; S59-S62 PolarHBondContact OG-N 2.9Å; S59-S62 VanDerWaalsContact OG-N 3.09Å; S59-S62 PolarHBondContact OG-OG 2.96Å; E60-S62 PolarHBondContact O-N 3.05Å; S62-N65 PolarHBondContact O-N 3.09Å; S62-W66 PolarHBondContact O-N 3.32Å
63	F	98.1	Very high	97.1	Very high	6 Å²	6	53 Å²	53	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.3	167.5	-104.1	0	0	0	112.3	F2 A4 W57 S59 E60 D61 N65 W66 L67	F2-F63 HydrophobicContact CD1-CB 3.86Å; F2-F63 HydrophobicContact CD1-CG 4.29Å; F2-F63 HydrophobicContact CE1-CB 3.66Å; F2-F63 AromaticContact CE1-CD1 3.62Å; F2-F63 HydrophobicContact CE1-CD1 3.62Å; F2-F63 HydrophobicContact CE1-CD2 4.38Å; F2-F63 HydrophobicContact CE1-CE1 4.35Å; F2-F63 AromaticContact CE1-CG 3.62Å; F2-F63 HydrophobicContact CE1-CG 3.62Å; F2-F63 HydrophobicContact CZ-CD1 4.11Å; A4-F63 HydrophobicContact CB-CD2 3.78Å; A4-F63 HydrophobicContact CB-CE1 4.22Å; A4-F63 HydrophobicContact CB-CE2 3.36Å; A4-F63 HydrophobicContact CB-CG 4.33Å; A4-F63 HydrophobicContact CB-CZ 3.61Å; W57-F63 HydrophobicContact CB-CB 4.49Å; W57-F63 HydrophobicContact CD2-CB 3.93Å; W57-F63 AromaticContact CE2-CD2 3.76Å; W57-F63 HydrophobicContact CG-CB 3.85Å; W57-F63 HydrophobicContact CZ2-CD2 4.06Å; W57-F63 AromaticContact NE1-CD2 3.47Å; S59-F63 PolarHBondContact O-N 3.12Å; E60-F63 WeakPolarHBondContact O-CB 3.19Å; E60-F63 PolarHBondContact O-N 3.46Å; D61-F63 VanDerWaalsContact C-N 3.31Å; D61-F63 PolarHBondContact O-N 2.96Å; F63-N65 VanDerWaalsContact C-N 3.3Å; F63-N65 PolarHBondContact O-N 3.5Å; F63-W66 AromaticContact CD2-CE3 3.79Å; F63-W66 HydrophobicContact CD2-CE3 3.79Å; F63-W66 HydrophobicContact CD2-CZ3 4.12Å; F63-W66 AromaticContact CE2-CE3 3.73Å; F63-W66 HydrophobicContact CE2-CE3 3.73Å; F63-W66 AromaticContact CE2-CZ3 3.62Å; F63-W66 HydrophobicContact CE2-CZ3 3.62Å; F63-W66 WeakPolarHBondContact O-CB 3.27Å; F63-W66 PolarHBondContact O-N 2.63Å; F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD1-CG 4.44Å; F63-L67 HydrophobicContact CE1-CD1 3.31Å; F63-L67 HydrophobicContact CE1-CG 3.92Å; F63-L67 HydrophobicContact CE2-CD1 4.29Å; F63-L67 HydrophobicContact CE2-CD2 4.18Å; F63-L67 HydrophobicContact CE2-CG 4.05Å; F63-L67 HydrophobicContact CZ-CD1 3.48Å; F63-L67 VanDerWaalsContact CZ-CD1 3.48Å; F63-L67 HydrophobicContact CZ-CD2 3.94Å; F63-L67 HydrophobicContact CZ-CG 3.73Å; F63-L67 PolarHBondContact O-N 3.37Å
64	N	97.5	Very high	96.8	Very high	45 Å²	45	57.5 Å²	57.5	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-36.8	177.6	-69.9	-32.5	0	0	0	111.3	E60 D61 L67 N68	E60-N64 PolarHBondContact O-N 3.07Å; E60-N64 PolarHBondContact O-ND2 2.87Å; D61-N64 PolarHBondContact O-N 3.21Å; N64-L67 PolarHBondContact O-N 3.42Å; N64-N68 PolarHBondContact O-N 3.28Å; N64-N68 PolarHBondContact O-ND2 3.23Å
65	N	97.4	Very high	96.5	Very high	110 Å²	110	57.5 Å²	57.5	59%	0.588	30%	0.3	S	S	*	.	H	α-helix	trans	-62.5	-43	173.6	-71.9	-18.5	0	0	0	111.1	D61 S62 F63 N68 S69	D61-N65 WeakPolarHBondContact O-CB 3.48Å; D61-N65 PolarHBondContact O-N 3.34Å; D61-N65 PolarHBondContact O-ND2 3.19Å; S62-N65 PolarHBondContact O-N 3.09Å; F63-N65 VanDerWaalsContact C-N 3.3Å; F63-N65 PolarHBondContact O-N 3.5Å; N65-N68 PolarHBondContact O-N 2.9Å; N65-S69 PolarHBondContact O-N 2.97Å; N65-S69 VanDerWaalsContact O-N 3.12Å
66	W	97.6	Very high	96.1	Very high	25 Å²	25	60.3 Å²	60.3	10%	0.095	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-50.2	172.4	172.1	58.6	0	0	0	112	I28 I31 W57 S62 F63 N68 S69 F72	I28-W66 HydrophobicContact CD1-CD2 4.19Å; I28-W66 HydrophobicContact CD1-CH2 4.38Å; I28-W66 HydrophobicContact CD1-CZ2 3.63Å; I28-W66 HydrophobicContact CG1-CD2 4.5Å; I28-W66 HydrophobicContact CG1-CG 4.47Å; I28-W66 HydrophobicContact CG1-CZ2 4.4Å; I31-W66 HydrophobicContact CG1-CB 4.49Å; I31-W66 HydrophobicContact CG1-CG 4.47Å; I31-W66 HydrophobicContact CG2-CB 4.02Å; W57-W66 HydrophobicContact CH2-CB 3.39Å; W57-W66 AromaticContact CH2-CD2 3.72Å; W57-W66 HydrophobicContact CH2-CD2 3.72Å; W57-W66 HydrophobicContact CH2-CE3 4.15Å; W57-W66 AromaticContact CH2-CG 3.43Å; W57-W66 HydrophobicContact CH2-CG 3.43Å; W57-W66 VanDerWaalsContact CH2-CG 3.43Å; W57-W66 HydrophobicContact CZ2-CB 4.12Å; W57-W66 AromaticContact CZ2-CD2 3.79Å; W57-W66 HydrophobicContact CZ2-CD2 3.79Å; W57-W66 AromaticContact CZ2-CE3 3.77Å; W57-W66 HydrophobicContact CZ2-CE3 3.77Å; W57-W66 HydrophobicContact CZ2-CG 4Å; W57-W66 HydrophobicContact CZ2-CZ3 4.45Å; W57-W66 HydrophobicContact CZ3-CB 3.81Å; W57-W66 HydrophobicContact CZ3-CG 4.3Å; S62-W66 PolarHBondContact O-N 3.32Å; F63-W66 AromaticContact CD2-CE3 3.79Å; F63-W66 HydrophobicContact CD2-CE3 3.79Å; F63-W66 HydrophobicContact CD2-CZ3 4.12Å; F63-W66 AromaticContact CE2-CE3 3.73Å; F63-W66 HydrophobicContact CE2-CE3 3.73Å; F63-W66 AromaticContact CE2-CZ3 3.62Å; F63-W66 HydrophobicContact CE2-CZ3 3.62Å; F63-W66 WeakPolarHBondContact O-CB 3.27Å; F63-W66 PolarHBondContact O-N 2.63Å; W66-N68 PolarHBondContact O-N 3.02Å; W66-N68 VanDerWaalsContact O-N 3.08Å; W66-S69 VanDerWaalsContact O-CB 3.3Å; W66-S69 WeakPolarHBondContact O-CB 3.21Å; W66-S69 PolarHBondContact O-N 2.88Å; W66-S69 PolarHBondContact O-OG 3.46Å; W66-F72 AromaticContact CD2-CD2 3.93Å; W66-F72 HydrophobicContact CD2-CD2 3.93Å; W66-F72 AromaticContact CE2-CD2 3.6Å; W66-F72 AromaticContact CE3-CD2 3.98Å; W66-F72 HydrophobicContact CE3-CD2 3.98Å; W66-F72 HydrophobicContact CE3-CE2 4.41Å; W66-F72 AromaticContact CH2-CD2 3.52Å; W66-F72 HydrophobicContact CH2-CD2 3.52Å; W66-F72 AromaticContact CH2-CE2 3.58Å; W66-F72 HydrophobicContact CH2-CE2 3.58Å; W66-F72 AromaticContact CZ2-CD2 3.44Å; W66-F72 HydrophobicContact CZ2-CD2 3.44Å; W66-F72 VanDerWaalsContact CZ2-CD2 3.44Å; W66-F72 AromaticContact CZ2-CE2 3.97Å; W66-F72 HydrophobicContact CZ2-CE2 3.97Å; W66-F72 AromaticContact CZ3-CD2 3.75Å; W66-F72 HydrophobicContact CZ3-CD2 3.75Å; W66-F72 AromaticContact CZ3-CE2 3.8Å; W66-F72 HydrophobicContact CZ3-CE2 3.8Å; W66-F72 WeakPolarHBondContact O-CB 3.49Å
67	L	95.7	Very high	95.5	Very high	60 Å²	60	66 Å²	66	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-54.5	-31.9	179.9	-76.8	-178.9	0	0	0	113.2	F63 N64 F72	F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD1-CG 4.44Å; F63-L67 HydrophobicContact CE1-CD1 3.31Å; F63-L67 HydrophobicContact CE1-CG 3.92Å; F63-L67 HydrophobicContact CE2-CD1 4.29Å; F63-L67 HydrophobicContact CE2-CD2 4.18Å; F63-L67 HydrophobicContact CE2-CG 4.05Å; F63-L67 HydrophobicContact CZ-CD1 3.48Å; F63-L67 VanDerWaalsContact CZ-CD1 3.48Å; F63-L67 HydrophobicContact CZ-CD2 3.94Å; F63-L67 HydrophobicContact CZ-CG 3.73Å; F63-L67 PolarHBondContact O-N 3.37Å; N64-L67 PolarHBondContact O-N 3.42Å; L67-F72 HydrophobicContact CD2-CD2 3.93Å; L67-F72 HydrophobicContact CD2-CE2 3.51Å; L67-F72 HydrophobicContact CD2-CZ 3.94Å
68	N	96.2	Very high	94.8	Very high	123 Å²	123	71.6 Å²	71.6	66%	0.658	37%	0.367	S	S	*	.	H	α-helix	trans	-92.3	-5.3	179.9	-68.1	-68.4	0	0	0	113.8	N64 N65 W66	N64-N68 PolarHBondContact O-N 3.28Å; N64-N68 PolarHBondContact O-ND2 3.23Å; N65-N68 PolarHBondContact O-N 2.9Å; W66-N68 PolarHBondContact O-N 3.02Å; W66-N68 VanDerWaalsContact O-N 3.08Å
69	S	95.7	Very high	94.1	Very high	22 Å²	22	70.2 Å²	70.2	15%	0.154	37%	0.365	C	S	.	.	S	Bend	trans	-77.9	158.6	-176.6	73.4	0	0	0	0	113.2	N65 W66 V71 F72 K73	N65-S69 PolarHBondContact O-N 2.97Å; N65-S69 VanDerWaalsContact O-N 3.12Å; W66-S69 VanDerWaalsContact O-CB 3.3Å; W66-S69 WeakPolarHBondContact O-CB 3.21Å; W66-S69 PolarHBondContact O-N 2.88Å; W66-S69 PolarHBondContact O-OG 3.46Å; S69-V71 VanDerWaalsContact C-N 3.26Å; S69-V71 PolarHBondContact O-N 2.87Å; S69-F72 PolarHBondContact O-N 3.46Å; S69-F72 PolarHBondContact OG-N 3.27Å; S69-K73 PolarHBondContact O-N 2.79Å
70	D	95.7	Very high	93.1	Very high	111 Å²	111	74 Å²	74	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-69.2	-27.4	172.8	-65.4	-28.6	0	0	0	112.3	F72 K73 E74	D70-F72 VanDerWaalsContact C-N 3.3Å; D70-F72 PolarHBondContact O-N 3.23Å; D70-K73 PolarHBondContact O-N 3.16Å; D70-K73 IonicContact OD1-NZ 3.96Å; D70-K73 PolarHBondContact OD1-NZ 2.83Å; D70-E74 PolarHBondContact O-N 3.37Å
71	V	94.7	Very high	91.9	Very high	35 Å²	35	74.6 Å²	74.6	21%	0.212	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-45.3	171.1	174.4	0	0	0	0	110.7	Q26 G27 I31 S69 A75	Q26-V71 WeakPolarHBondContact O-CG1 3.48Å; G27-V71 VanDerWaalsContact C-CG1 3.41Å; G27-V71 WeakPolarHBondContact O-CG1 3.22Å; I31-V71 HydrophobicContact CD1-CB 4.01Å; I31-V71 HydrophobicContact CD1-CG1 4.33Å; I31-V71 HydrophobicContact CD1-CG2 3.88Å; I31-V71 HydrophobicContact CG1-CG1 4.35Å; S69-V71 VanDerWaalsContact C-N 3.26Å; S69-V71 PolarHBondContact O-N 2.87Å; V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 3.01Å
72	F	94	Very high	90	Very high	49 Å²	49	77.4 Å²	77.4	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-45.1	176.3	178.3	-86.8	0	0	0	111.9	W66 L67 S69 D70 E74 A75 H76	W66-F72 AromaticContact CD2-CD2 3.93Å; W66-F72 HydrophobicContact CD2-CD2 3.93Å; W66-F72 AromaticContact CE2-CD2 3.6Å; W66-F72 AromaticContact CE3-CD2 3.98Å; W66-F72 HydrophobicContact CE3-CD2 3.98Å; W66-F72 HydrophobicContact CE3-CE2 4.41Å; W66-F72 AromaticContact CH2-CD2 3.52Å; W66-F72 HydrophobicContact CH2-CD2 3.52Å; W66-F72 AromaticContact CH2-CE2 3.58Å; W66-F72 HydrophobicContact CH2-CE2 3.58Å; W66-F72 AromaticContact CZ2-CD2 3.44Å; W66-F72 HydrophobicContact CZ2-CD2 3.44Å; W66-F72 VanDerWaalsContact CZ2-CD2 3.44Å; W66-F72 AromaticContact CZ2-CE2 3.97Å; W66-F72 HydrophobicContact CZ2-CE2 3.97Å; W66-F72 AromaticContact CZ3-CD2 3.75Å; W66-F72 HydrophobicContact CZ3-CD2 3.75Å; W66-F72 AromaticContact CZ3-CE2 3.8Å; W66-F72 HydrophobicContact CZ3-CE2 3.8Å; W66-F72 WeakPolarHBondContact O-CB 3.49Å; L67-F72 HydrophobicContact CD2-CD2 3.93Å; L67-F72 HydrophobicContact CD2-CE2 3.51Å; L67-F72 HydrophobicContact CD2-CZ 3.94Å; S69-F72 PolarHBondContact O-N 3.46Å; S69-F72 PolarHBondContact OG-N 3.27Å; D70-F72 VanDerWaalsContact C-N 3.3Å; D70-F72 PolarHBondContact O-N 3.23Å; F72-E74 PolarHBondContact O-N 3.12Å; F72-A75 PolarHBondContact O-N 2.97Å; F72-H76 AromaticContact CD1-ND1 3.95Å; F72-H76 AromaticContact CD2-CE1 3.48Å; F72-H76 VanDerWaalsContact CD2-CE1 3.48Å; F72-H76 WeakPolarHBondContact CD2-CE1 3.2Å; F72-H76 AromaticContact CD2-ND1 3.57Å; F72-H76 HydrophobicContact CE1-CB 4.49Å; F72-H76 AromaticContact CE1-ND1 3.83Å; F72-H76 AromaticContact CE2-CE1 3.14Å; F72-H76 WeakPolarHBondContact CE2-CE1 3.09Å; F72-H76 AromaticContact CE2-ND1 3.44Å; F72-H76 WeakPolarHBondContact CE2-ND1 3.4Å; F72-H76 AromaticContact CE2-NE2 3.77Å; F72-H76 AromaticContact CG-ND1 3.81Å; F72-H76 AromaticContact CZ-CE1 3.61Å; F72-H76 AromaticContact CZ-CG 3.92Å; F72-H76 AromaticContact CZ-ND1 3.56Å; F72-H76 AromaticContact CZ-NE2 3.99Å; F72-H76 PolarHBondContact O-N 3.04Å; F72-H76 VanDerWaalsContact O-N 3.09Å; F72-H76 PolarHBondContact O-ND1 2.8Å
73	K	93.8	Very high	87.9	Confident	114 Å²	114	79.9 Å²	79.9	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-46.1	-179.6	-64.6	175.3	-161.8	153.1	0	111.6	S69 D70 H76 K77	S69-K73 PolarHBondContact O-N 2.79Å; D70-K73 PolarHBondContact O-N 3.16Å; D70-K73 IonicContact OD1-NZ 3.96Å; D70-K73 PolarHBondContact OD1-NZ 2.83Å; K73-H76 PolarHBondContact O-N 2.66Å; K73-K77 WeakPolarHBondContact O-CB 3.19Å; K73-K77 PolarHBondContact O-N 2.91Å
74	E	92.5	Very high	85.8	Confident	107 Å²	107	83 Å²	83	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-42.5	179	-71.4	-56.8	123.4	0	0	111.6	D70 F72 H76 K77	D70-E74 PolarHBondContact O-N 3.37Å; F72-E74 PolarHBondContact O-N 3.12Å; E74-H76 PolarHBondContact O-N 2.86Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 3Å; E74-K77 IonicContact OE1-NZ 3.58Å; E74-K77 IonicContact OE2-NZ 3.98Å; E74-K77 PolarHBondContact OE2-NZ 2.71Å
75	A	91.1	Very high	83.6	Confident	31 Å²	31	89.5 Å²	89.5	26%	0.256	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-32.7	176.9	0	0	0	0	0	113.4	Q26 V71 F72	Q26-A75 HydrophobicContact CB-CB 3.54Å; Q26-A75 HydrophobicContact CG-CB 3.94Å; V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 3.01Å; F72-A75 PolarHBondContact O-N 2.97Å
76	H	89.3	Confident	81.7	Confident	64 Å²	64	91.4 Å²	91.4	30%	0.296	46%	0.464	S	S	.	.	H	α-helix	trans	-101.2	-0.8	-177.2	-65.3	83.9	0	0	0	114.1	F72 K73 E74 N78 V79	F72-H76 AromaticContact CD1-ND1 3.95Å; F72-H76 AromaticContact CD2-CE1 3.48Å; F72-H76 VanDerWaalsContact CD2-CE1 3.48Å; F72-H76 WeakPolarHBondContact CD2-CE1 3.2Å; F72-H76 AromaticContact CD2-ND1 3.57Å; F72-H76 HydrophobicContact CE1-CB 4.49Å; F72-H76 AromaticContact CE1-ND1 3.83Å; F72-H76 AromaticContact CE2-CE1 3.14Å; F72-H76 WeakPolarHBondContact CE2-CE1 3.09Å; F72-H76 AromaticContact CE2-ND1 3.44Å; F72-H76 WeakPolarHBondContact CE2-ND1 3.4Å; F72-H76 AromaticContact CE2-NE2 3.77Å; F72-H76 AromaticContact CG-ND1 3.81Å; F72-H76 AromaticContact CZ-CE1 3.61Å; F72-H76 AromaticContact CZ-CG 3.92Å; F72-H76 AromaticContact CZ-ND1 3.56Å; F72-H76 AromaticContact CZ-NE2 3.99Å; F72-H76 PolarHBondContact O-N 3.04Å; F72-H76 VanDerWaalsContact O-N 3.09Å; F72-H76 PolarHBondContact O-ND1 2.8Å; K73-H76 PolarHBondContact O-N 2.66Å; E74-H76 PolarHBondContact O-N 2.86Å; H76-N78 PolarHBondContact O-N 2.79Å; H76-N78 VanDerWaalsContact O-N 3.16Å; H76-V79 PolarHBondContact O-N 3.25Å
77	K	87.2	Confident	79.7	Confident	131 Å²	131	93.2 Å²	93.2	57%	0.57	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35	-176	-177.5	175.9	-178.7	172.8	0	114	K73 E74	K73-K77 WeakPolarHBondContact O-CB 3.19Å; K73-K77 PolarHBondContact O-N 2.91Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 3Å; E74-K77 IonicContact OE1-NZ 3.58Å; E74-K77 IonicContact OE2-NZ 3.98Å; E74-K77 PolarHBondContact OE2-NZ 2.71Å
78	N	83	Confident	78	Confident	117 Å²	117	98.4 Å²	98.4	63%	0.626	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	8	-179.5	-62.2	-36.7	0	0	0	113	H76	H76-N78 PolarHBondContact O-N 2.79Å; H76-N78 VanDerWaalsContact O-N 3.16Å
79	V	83.1	Confident	76.8	Confident	75 Å²	75	99 Å²	99	46%	0.455	51%	0.512	S	S	.	.			trans	-89.1	117.9	176.7	-179.2	0	0	0	0	108.3	H76 I92	H76-V79 PolarHBondContact O-N 3.25Å; V79-I92 HydrophobicContact CG1-CD1 3.92Å
80	R	78.9	Confident	76.4	Confident	124 Å²	124	99 Å²	99	47%	0.468	51%	0.511	S	S	.	.			trans	-122	132.5	-176.5	-58.6	-179.9	-177.2	164.4	1.6	109.4	D84 S90	R80-D84 WeakPolarHBondContact CD-OD2 3.46Å; R80-D84 IonicContact CZ-OD2 2.78Å; R80-D84 IonicContact NE-OD2 3.84Å; R80-D84 PolarHBondContact NE-OD2 2.89Å; R80-D84 VanDerWaalsContact NE-OD2 3.08Å; R80-D84 IonicContact NH1-OD2 3.63Å; R80-D84 PolarHBondContact NH1-OD2 3.12Å; R80-D84 IonicContact NH2-OD2 3.42Å; R80-S90 WeakPolarHBondContact O-CB 3.09Å; R80-S90 PolarHBondContact O-OG 2.8Å
81	L	71.3	Confident	76.2	Confident	93 Å²	93	94.6 Å²	94.6	49%	0.487	49%	0.489	S	S	.	.	S	Bend	trans	-89	-15.1	177	-75.4	167.9	0	0	0	112.9	I92	L81-I92 HydrophobicContact CD2-CB 4.22Å; L81-I92 HydrophobicContact CD2-CG2 3.55Å
82	K	59.4	Low	76.2	Confident	172 Å²	172	93.8 Å²	93.8	75%	0.748	48%	0.483	S	S	*	.	S	Bend	trans	-129.8	151	179.8	-67.8	-174.3	178	-179.1	0	108.9	D84	K82-D84 PolarHBondContact O-N 2.77Å
83	S	54.5	Low	76.2	Confident	64 Å²	64	95.9 Å²	95.9	45%	0.448	50%	0.496	S	S	.	.			trans	-58.4	131.8	169.3	-14.5	0	0	0	0	108.9
84	D	52.9	Low	76.2	Confident	71 Å²	71	92.7 Å²	92.7	38%	0.38	49%	0.488	S	S	.	.			trans	-82.9	167.6	167.4	-72.8	-13.6	0	0	0	110.5	R80 K82 D86 G87	R80-D84 WeakPolarHBondContact CD-OD2 3.46Å; R80-D84 IonicContact CZ-OD2 2.78Å; R80-D84 IonicContact NE-OD2 3.84Å; R80-D84 PolarHBondContact NE-OD2 2.89Å; R80-D84 VanDerWaalsContact NE-OD2 3.08Å; R80-D84 IonicContact NH1-OD2 3.63Å; R80-D84 PolarHBondContact NH1-OD2 3.12Å; R80-D84 IonicContact NH2-OD2 3.42Å; K82-D84 PolarHBondContact O-N 2.77Å; D84-D86 PolarHBondContact O-N 3.33Å; D84-G87 PolarHBondContact O-N 3.14Å
85	D	52.3	Low	76.3	Confident	182 Å²	182	91 Å²	91	97%	0.973	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-18.9	175.7	-97.4	-17.1	0	0	0	113.5	G87	D85-G87 PolarHBondContact O-N 3.3Å
86	D	57.3	Low	76.6	Confident	150 Å²	150	94.9 Å²	94.9	80%	0.802	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	2	175.5	-84.1	-14.3	0	0	0	114.2	D84 Q88	D84-D86 PolarHBondContact O-N 3.33Å; D86-Q88 VanDerWaalsContact C-N 3.3Å; D86-Q88 PolarHBondContact O-N 3.13Å
87	G	55.7	Low	77	Confident	62 Å²	62	95.5 Å²	95.5	64%	0.639	50%	0.502	S	S	*	.			trans	79.8	-1.5	168.3	0	0	0	0	0	116	D84 D85 Q89	D84-G87 PolarHBondContact O-N 3.14Å; D85-G87 PolarHBondContact O-N 3.3Å; G87-Q89 PolarHBondContact O-N 2.61Å
88	Q	58.6	Low	77.6	Confident	169 Å²	169	91.9 Å²	91.9	79%	0.79	49%	0.486	S	S	*	.			trans	-79	106.1	169.5	-86.2	172.8	5.6	0	0	110.4	D86	D86-Q88 VanDerWaalsContact C-N 3.3Å; D86-Q88 PolarHBondContact O-N 3.13Å
89	Q	72.2	Confident	78.3	Confident	137 Å²	137	90.9 Å²	90.9	64%	0.64	48%	0.476	S	S	*	.			trans	-68.2	129.4	172	-86.5	-178.6	-6.1	0	0	110.3	G87	G87-Q89 PolarHBondContact O-N 2.61Å
90	S	86.5	Confident	79.1	Confident	21 Å²	21	91.7 Å²	91.7	15%	0.147	47%	0.472	C	S	.	.			trans	-67.3	136.3	168.1	180	0	0	0	0	110	R80 I92	R80-S90 WeakPolarHBondContact O-CB 3.09Å; R80-S90 PolarHBondContact O-OG 2.8Å; S90-I92 PolarHBondContact O-N 3.08Å; S90-I92 PolarHBondContact OG-N 3.39Å; S90-I92 VanDerWaalsContact OG-N 3.13Å
91	P	92.4	Very high	80	Confident	18 Å²	18	92.6 Å²	92.6	12%	0.117	49%	0.486	C	S	.	.	S	Bend	trans	-70.6	-11.8	171.1	29.8	-34.4	0	0	0	112.3	L10 Q11 S14 L93	L10-P91 CarbonylContact C-O 3.45Å; L10-P91 WeakPolarHBondContact CA-O 3.46Å; Q11-P91 PolarHBondContact N-O 2.85Å; S14-P91 VanDerWaalsContact CB-CB 3.46Å; S14-P91 WeakPolarHBondContact OG-CB 3.44Å; P91-L93 PolarHBondContact O-N 2.58Å
92	I	93.6	Very high	81.3	Confident	19 Å²	19	89.9 Å²	89.9	10%	0.097	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114	-175.5	-50.7	173.1	0	0	0	110.2	L8 L10 V79 L81 S90	L8-I92 HydrophobicContact CD2-CG2 4.46Å; L10-I92 HydrophobicContact CD2-CB 4.11Å; L10-I92 HydrophobicContact CD2-CG1 3.7Å; L10-I92 HydrophobicContact CD2-CG2 4.28Å; V79-I92 HydrophobicContact CG1-CD1 3.92Å; L81-I92 HydrophobicContact CD2-CB 4.22Å; L81-I92 HydrophobicContact CD2-CG2 3.55Å; S90-I92 PolarHBondContact O-N 3.08Å; S90-I92 PolarHBondContact OG-N 3.39Å; S90-I92 VanDerWaalsContact OG-N 3.13Å
93	L	93.8	Very high	83.1	Confident	93 Å²	93	85.6 Å²	85.6	49%	0.487	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-41.5	177.9	-60.6	175.6	0	0	0	112	Q9 L10 Q11 T48 P91	Q9-L93 HydrophobicContact CB-CB 4.38Å; Q9-L93 WeakPolarHBondContact O-CB 3.23Å; Q9-L93 PolarHBondContact O-N 2.89Å; L10-L93 WeakPolarHBondContact O-CD1 3.41Å; Q11-L93 HydrophobicContact CG-CD2 3.84Å; Q11-L93 HydrophobicContact CG-CG 4.26Å; T48-L93 HydrophobicContact CG2-CD1 3.43Å; T48-L93 VanDerWaalsContact CG2-CD1 3.43Å; P91-L93 PolarHBondContact O-N 2.58Å
94	S	94.5	Very high	85.1	Confident	47 Å²	47	91.4 Å²	91.4	33%	0.329	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.7	175.3	73.9	0	0	0	0	111.1	L8 Q9	L8-S94 WeakPolarHBondContact CA-O 3.45Å; Q9-S94 PolarHBondContact N-O 3.39Å; Q9-S94 PolarHBondContact O-N 3.11Å; Q9-S94 PolarHBondContact OE1-OG 3.35Å; Q9-S94 VanDerWaalsContact OE1-OG 3.12Å
95	N	95.4	Very high	87.1	Confident	72 Å²	72	92.2 Å²	92.2	39%	0.385	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.4	167.9	82.8	-68	0	0	0	111.1	N6 R7 L8	N6-N95 PolarHBondContact OD1-ND2 3.16Å; R7-N95 CarbonylContact O-C 3.59Å; R7-N95 VanDerWaalsContact O-CA 3.27Å; R7-N95 WeakPolarHBondContact O-CA 3.48Å; L8-N95 HydrophobicContact CD2-CB 3.57Å
96	K	97.5	Very high	89.2	Confident	111 Å²	111	91.3 Å²	91.3	48%	0.483	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.2	172.5	-172.1	167.5	177.1	178.6	0	110.3	R7 F98	R7-K96 WeakPolarHBondContact CB-O 3.39Å; R7-K96 PolarHBondContact N-O 3.49Å; R7-K96 PolarHBondContact O-N 3.13Å; K96-F98 HydrophobicContact CB-CE2 3.99Å; K96-F98 HydrophobicContact CB-CZ 4.46Å; K96-F98 HydrophobicContact CD-CE1 4.15Å; K96-F98 HydrophobicContact CD-CE2 3.85Å; K96-F98 HydrophobicContact CD-CZ 3.45Å; K96-F98 VanDerWaalsContact CD-CZ 3.45Å; K96-F98 VanDerWaalsContact CE-CZ 3.47Å; K96-F98 HydrophobicContact CG-CD2 4.32Å; K96-F98 HydrophobicContact CG-CE1 4.48Å; K96-F98 HydrophobicContact CG-CE2 3.66Å; K96-F98 HydrophobicContact CG-CZ 3.77Å
97	V	97.5	Very high	90.7	Very high	77 Å²	77	90.6 Å²	90.6	47%	0.467	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.6	178.1	-178.2	0	0	0	0	110.1	E5	E5-V97 CarbonylContact O-C 3.51Å; E5-V97 VanDerWaalsContact O-CA 3.25Å; E5-V97 WeakPolarHBondContact O-CA 3.11Å
98	F	98.6	Very high	92.2	Very high	55 Å²	55	99.3 Å²	99.3	24%	0.241	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.1	171.9	-58.1	-95.7	0	0	0	109.9	A4 E5 R7 K96 Y100	A4-F98 WeakPolarHBondContact CA-O 3.4Å; E5-F98 HydrophobicContact CB-CB 4.28Å; E5-F98 HydrophobicContact CG-CD2 4.42Å; E5-F98 PolarHBondContact N-O 3.28Å; E5-F98 PolarHBondContact O-N 3.24Å; R7-F98 HydrophobicContact CB-CE2 4.22Å; K96-F98 HydrophobicContact CB-CE2 3.99Å; K96-F98 HydrophobicContact CB-CZ 4.46Å; K96-F98 HydrophobicContact CD-CE1 4.15Å; K96-F98 HydrophobicContact CD-CE2 3.85Å; K96-F98 HydrophobicContact CD-CZ 3.45Å; K96-F98 VanDerWaalsContact CD-CZ 3.45Å; K96-F98 VanDerWaalsContact CE-CZ 3.47Å; K96-F98 HydrophobicContact CG-CD2 4.32Å; K96-F98 HydrophobicContact CG-CE1 4.48Å; K96-F98 HydrophobicContact CG-CE2 3.66Å; K96-F98 HydrophobicContact CG-CZ 3.77Å; F98-Y100 HydrophobicContact CB-CE2 3.72Å; F98-Y100 VanDerWaalsContact CB-OH 3.22Å; F98-Y100 WeakPolarHBondContact CB-OH 3.48Å
99	K	98.6	Very high	93.9	Very high	97 Å²	97	95.9 Å²	95.9	42%	0.422	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.1	-178.7	-64.8	-176.6	164	-169.5	0	109.3	F2 M3 E60	F2-K99 HydrophobicContact CE2-CB 3.87Å; F2-K99 HydrophobicContact CE2-CD 4.32Å; F2-K99 HydrophobicContact CE2-CG 4.3Å; F2-K99 HydrophobicContact CZ-CB 3.71Å; F2-K99 HydrophobicContact CZ-CD 3.79Å; F2-K99 HydrophobicContact CZ-CG 3.67Å; M3-K99 CarbonylContact O-C 3.59Å; M3-K99 WeakPolarHBondContact O-CA 3.21Å; E60-K99 WeakPolarHBondContact OE1-CD 3.04Å; E60-K99 IonicContact OE1-NZ 2.7Å; E60-K99 PolarHBondContact OE1-NZ 3.26Å
100	Y	98.7	Very high	95.1	Very high	91 Å²	91	93.7 Å²	93.7	36%	0.357	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.3	-177.6	-45.3	-95.8	0	0	0	111.2	F2 M3 E5 F98	F2-Y100 WeakPolarHBondContact CD2-O 3.48Å; M3-Y100 HydrophobicContact CB-CD2 4.13Å; M3-Y100 HydrophobicContact CG-CD2 4.17Å; M3-Y100 PolarHBondContact N-O 3.02Å; M3-Y100 PolarHBondContact O-N 3.08Å; M3-Y100 HydrophobicContact SD-CD2 4.21Å; E5-Y100 HydrophobicContact CB-CE2 3.77Å; E5-Y100 PolarHBondContact OE2-OH 3.05Å; F98-Y100 HydrophobicContact CB-CE2 3.72Å; F98-Y100 VanDerWaalsContact CB-OH 3.22Å; F98-Y100 WeakPolarHBondContact CB-OH 3.48Å
101	D	98.4	Very high	95.5	Very high	143 Å²	143	97.7 Å²	97.7	77%	0.765	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.5	160.6	-72.7	-35.7	0	0	0	109.3	G103	D101-G103 PolarHBondContact O-N 3.01Å; D101-G103 VanDerWaalsContact O-N 3.16Å
102	I	98.2	Very high	95.7	Very high	36 Å²	36	102.4 Å²	102.4	19%	0.185	50%	0.502	C	S	.	.			trans	-82	97.2	173.8	-60.9	173.7	0	0	0	107.6	M1 M3 I56 Y104 H105	M1-I102 HydrophobicContact CB-CB 3.79Å; M1-I102 HydrophobicContact CB-CD1 4.1Å; M1-I102 HydrophobicContact CB-CG1 4.43Å; M1-I102 HydrophobicContact CB-CG2 4.23Å; M1-I102 HydrophobicContact CE-CD1 4.18Å; M1-I102 PolarHBondContact O-N 2.87Å; M1-I102 VanDerWaalsContact O-N 3.08Å; M3-I102 HydrophobicContact CB-CD1 3.97Å; M3-I102 HydrophobicContact CB-CG1 3.98Å; M3-I102 HydrophobicContact CE-CD1 4.35Å; I56-I102 HydrophobicContact CD1-CD1 3.95Å; I56-I102 HydrophobicContact CG2-CD1 3.74Å; I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 WeakPolarHBondContact CG2-O 3.26Å; I102-H105 HydrophobicContact CG2-CB 4.03Å
103	G	97.7	Very high	95.9	Very high	82 Å²	82	107.6 Å²	107.6	85%	0.845	53%	0.527	S	S	*	.			trans	-73.2	-21.3	178.7	0	0	0	0	0	114.6	D101	D101-G103 PolarHBondContact O-N 3.01Å; D101-G103 VanDerWaalsContact O-N 3.16Å
104	Y	97.6	Very high	96	Very high	187 Å²	187	108.6 Å²	108.6	73%	0.733	53%	0.53	S	S	*	.			trans	-155.8	138.4	176.8	-178.3	-100.1	0	0	0	110.5	I102	I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 WeakPolarHBondContact CG2-O 3.26Å
105	H	94.4	Very high	96.1	Very high	87 Å²	87	113 Å²	113	40%	0.403	55%	0.545	S	S	.	.			trans	-141.4	132.2	174.1	168.9	-126.3	0	0	0	108.6	M1 I102	M1-H105 HydrophobicContact CE-CB 4.39Å; M1-H105 HydrophobicContact SD-CB 4.05Å; I102-H105 HydrophobicContact CG2-CB 4.03Å
106	Y	95.7	Very high	96.1	Very high	164 Å²	164	116.2 Å²	116.2	64%	0.643	56%	0.557	S	S	*	*			trans	-126.3	128.1	175.4	172.8	-107.2	0	0	0	109.4	K108	Y106-K108 HydrophobicContact CE1-CB 4.46Å
107	Q	88.8	Confident	96	Very high	135 Å²	135	116.6 Å²	116.6	63%	0.631	56%	0.563	S	S	*	*			trans	-121.2	127.2	175.9	-171.4	172.7	-20.5	0	0	108.1
108	K	88.2	Confident	95.9	Very high	245 Å²	245	120.2 Å²	120.2	100%	1.065	57%	0.572	S	S	*	*			trans	-71.7	0	-176.8	-176.2	178.7	178.1	-176.6	0	112	Y106	Y106-K108 HydrophobicContact CE1-CB 4.46Å

Retrieved 108 of 108 residues in 501.3 ms (Link to these results)

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