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Heme oxygenase (staphylobilin-producing) 1

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 , UniProt , Accession Q2FZE2, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene isdG, Length 107 aa.

						>HDOX1_STAA8|Q2FZE2|isdG
MKFMAENRLTLTKGTAKDIIERFYTRHGIETLEGFDGMFVTQTLEQEDFDEVKILTVWKSKQAFTDWLKSDVFKAAHKHVRSKNEDESSPIINNKVITYDIGYSYMK
					

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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	78.7	Confident	96.3	Very high	164 Å²	164	43.4 Å²	43.4	81%	0.808	21%	0.205	S	C	*	.				0	144.4	0	-64	177.3	-67.9	0	0	107.5	D100	M1-D100 HydrophobicContact CE-CB 4.13Å; M1-D100 WeakPolarHBondContact CE-OD2 3.3Å; M1-D100 HydrophobicContact SD-CB 4.34Å
2	K	93.8	Very high	96.5	Very high	88 Å²	88	43.8 Å²	43.8	38%	0.383	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	162.2	170.1	-72.1	-171.5	178	-151.3	0	109.2	D36 W58 I101	K2-D36 WeakPolarHBondContact CE-OD2 3.35Å; K2-D36 IonicContact NZ-OD2 3.29Å; K2-D36 PolarHBondContact NZ-OD2 3.09Å; K2-W58 WeakPolarHBondContact CA-O 3.38Å; K2-I101 HydrophobicContact CB-CB 3.9Å; K2-I101 HydrophobicContact CB-CD1 3.97Å; K2-I101 HydrophobicContact CB-CG1 4.45Å; K2-I101 HydrophobicContact CB-CG2 4.36Å; K2-I101 PolarHBondContact O-N 3.25Å
3	F	98.7	Very high	96.6	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.2	-172.8	179	-97.2	0	0	0	110.6	A5 W58 K61 F64 T98 Y99	F3-A5 HydrophobicContact CE1-CB 3.94Å; F3-W58 HydrophobicContact CB-CB 4.31Å; F3-W58 HydrophobicContact CD1-CB 4.31Å; F3-W58 AromaticContact CD1-CD1 3.88Å; F3-W58 HydrophobicContact CD1-CG 4.32Å; F3-W58 PolarHBondContact N-O 2.84Å; F3-W58 PolarHBondContact O-N 3.05Å; F3-K61 HydrophobicContact CD1-CB 4.49Å; F3-K61 HydrophobicContact CD2-CB 3.7Å; F3-K61 HydrophobicContact CD2-CG 4.09Å; F3-K61 HydrophobicContact CE1-CG 4.49Å; F3-K61 HydrophobicContact CE2-CB 3.87Å; F3-K61 HydrophobicContact CE2-CD 4Å; F3-K61 HydrophobicContact CE2-CG 3.71Å; F3-K61 HydrophobicContact CG-CB 4.01Å; F3-K61 HydrophobicContact CZ-CB 4.34Å; F3-K61 HydrophobicContact CZ-CD 4.5Å; F3-K61 HydrophobicContact CZ-CG 3.92Å; F3-F64 HydrophobicContact CD1-CB 3.81Å; F3-F64 HydrophobicContact CD1-CD1 4.43Å; F3-F64 HydrophobicContact CD1-CG 4.22Å; F3-F64 HydrophobicContact CE1-CB 3.62Å; F3-F64 AromaticContact CE1-CD1 3.41Å; F3-F64 HydrophobicContact CE1-CD1 3.41Å; F3-F64 VanDerWaalsContact CE1-CD1 3.41Å; F3-F64 HydrophobicContact CE1-CD2 4.38Å; F3-F64 HydrophobicContact CE1-CE1 4.13Å; F3-F64 AromaticContact CE1-CG 3.54Å; F3-F64 HydrophobicContact CE1-CG 3.54Å; F3-F64 AromaticContact CZ-CD1 3.89Å; F3-F64 HydrophobicContact CZ-CD1 3.89Å; F3-F64 HydrophobicContact CZ-CE1 4.36Å; F3-F64 HydrophobicContact CZ-CG 4.46Å; F3-T98 HydrophobicContact CE1-CG2 4.44Å; F3-T98 HydrophobicContact CE2-CG2 4.28Å; F3-T98 HydrophobicContact CZ-CG2 3.56Å; F3-Y99 WeakPolarHBondContact CD2-O 3.22Å
4	M	98.8	Very high	96.7	Very high	45 Å²	45	48.6 Å²	48.6	22%	0.222	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	171.8	-168.6	-178.2	-73.2	0	0	110.1	L55 T56 V57 T98 Y99 I101	M4-L55 HydrophobicContact SD-CB 4.35Å; M4-L55 HydrophobicContact SD-CD2 4.47Å; M4-T56 CarbonylContact C-O 3.57Å; M4-T56 VanDerWaalsContact CA-O 3.24Å; M4-T56 WeakPolarHBondContact CA-O 3.21Å; M4-T56 WeakPolarHBondContact CG-O 3.32Å; M4-V57 HydrophobicContact CE-CG2 3.99Å; M4-T98 CarbonylContact O-C 3.59Å; M4-T98 WeakPolarHBondContact O-CA 3.33Å; M4-Y99 HydrophobicContact CB-CD2 4.08Å; M4-Y99 HydrophobicContact CG-CD2 4.29Å; M4-Y99 PolarHBondContact N-O 2.85Å; M4-Y99 PolarHBondContact O-N 3.01Å; M4-Y99 HydrophobicContact SD-CD2 4.38Å; M4-I101 HydrophobicContact CB-CD1 3.98Å; M4-I101 HydrophobicContact CB-CG1 4.03Å; M4-I101 HydrophobicContact CE-CD1 4.28Å
5	A	98.7	Very high	96.9	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131	166.1	0	0	0	0	0	110.6	F3 T56 F64	F3-A5 HydrophobicContact CE1-CB 3.94Å; A5-T56 PolarHBondContact N-O 3.34Å; A5-T56 PolarHBondContact O-N 2.98Å; A5-T56 PolarHBondContact O-OG1 2.79Å; A5-T56 VanDerWaalsContact O-OG1 3.05Å; A5-F64 HydrophobicContact CB-CD1 4.3Å; A5-F64 HydrophobicContact CB-CD2 3.62Å; A5-F64 HydrophobicContact CB-CE1 3.97Å; A5-F64 HydrophobicContact CB-CE2 3.22Å; A5-F64 HydrophobicContact CB-CG 4.13Å; A5-F64 HydrophobicContact CB-CZ 3.41Å; A5-F64 VanDerWaalsContact CB-CZ 3.41Å
6	E	98.7	Very high	97	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.1	173.2	174.9	175.1	151.1	0	0	109.1	R8 K53 I54 L55 V96 I97 Y99	E6-R8 HydrophobicContact CG-CB 4.25Å; E6-R8 WeakPolarHBondContact OE1-CB 3.4Å; E6-K53 HydrophobicContact CG-CB 4.35Å; E6-K53 HydrophobicContact CG-CG 4.4Å; E6-K53 VanDerWaalsContact OE1-CD 3.3Å; E6-K53 WeakPolarHBondContact OE1-CD 3.49Å; E6-K53 WeakPolarHBondContact OE1-CE 3.16Å; E6-I54 CarbonylContact C-O 3.57Å; E6-I54 VanDerWaalsContact CA-O 3.32Å; E6-I54 WeakPolarHBondContact CA-O 3.21Å; E6-L55 HydrophobicContact CB-CD2 3.66Å; E6-L55 HydrophobicContact CG-CD2 3.65Å; E6-V96 CarbonylContact O-C 3.6Å; E6-V96 VanDerWaalsContact O-CA 3.27Å; E6-V96 WeakPolarHBondContact O-CA 3.23Å; E6-I97 HydrophobicContact CB-CB 4.46Å; E6-I97 HydrophobicContact CG-CD1 4.38Å; E6-I97 PolarHBondContact N-O 3.26Å; E6-I97 PolarHBondContact O-N 3.19Å; E6-Y99 HydrophobicContact CB-CE2 3.87Å; E6-Y99 PolarHBondContact OE2-OH 2.66Å; E6-Y99 VanDerWaalsContact OE2-OH 3.06Å
7	N	98.3	Very high	97	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.1	157.2	-170.9	21.3	0	0	0	108.4	I54 N94	N7-I54 HydrophobicContact CB-CB 4.43Å; N7-I54 PolarHBondContact N-O 3.28Å; N7-I54 WeakPolarHBondContact O-CD1 3.24Å; N7-I54 PolarHBondContact O-N 2.82Å; N7-N94 PolarHBondContact OD1-ND2 2.87Å
8	R	98.7	Very high	97.1	Very high	81 Å²	81	52.3 Å²	52.3	31%	0.306	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.9	-179.2	-169.6	177.8	80	158.4	2.7	109.6	E6 E51 K53 N94 K95 I97	E6-R8 HydrophobicContact CG-CB 4.25Å; E6-R8 WeakPolarHBondContact OE1-CB 3.4Å; R8-E51 WeakPolarHBondContact CD-OE2 3.46Å; R8-E51 HydrophobicContact CG-CG 3.88Å; R8-E51 IonicContact CZ-OE2 3.76Å; R8-E51 IonicContact NE-OE2 3.91Å; R8-E51 IonicContact NH1-OE2 3.59Å; R8-K53 HydrophobicContact CB-CG 4.46Å; R8-K53 HydrophobicContact CG-CG 4.03Å; R8-N94 CarbonylContact O-C 3.49Å; R8-N94 VanDerWaalsContact O-CA 3.23Å; R8-N94 WeakPolarHBondContact O-CA 3.38Å; R8-K95 PolarHBondContact N-O 3.13Å; R8-K95 PolarHBondContact O-N 3.17Å; R8-I97 HydrophobicContact CB-CD1 4.28Å
9	L	98.4	Very high	97.1	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.3	178.4	-53.8	-176.3	0	0	0	110.2	L11 I19 E51 V52 I54 N94	L9-L11 HydrophobicContact CB-CD2 3.81Å; L9-L11 HydrophobicContact CB-CG 4.16Å; L9-L11 HydrophobicContact CD1-CD2 4.31Å; L9-I19 HydrophobicContact CD1-CG2 4.05Å; L9-E51 WeakPolarHBondContact O-CA 3.45Å; L9-V52 HydrophobicContact CB-CB 4.47Å; L9-V52 PolarHBondContact N-O 3.45Å; L9-V52 PolarHBondContact O-N 3Å; L9-I54 HydrophobicContact CD1-CD1 3.64Å; L9-I54 HydrophobicContact CG-CD1 3.76Å; L9-N94 HydrophobicContact CD2-CB 3.65Å
10	T	98.5	Very high	97.1	Very high	22 Å²	22	48.9 Å²	48.9	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.7	163.5	-58.8	0	0	0	0	107.3	F49 I92 N93	T10-F49 HydrophobicContact CG2-CB 3.98Å; T10-F49 HydrophobicContact CG2-CD1 4.21Å; T10-F49 HydrophobicContact CG2-CD2 3.66Å; T10-F49 HydrophobicContact CG2-CE2 4.14Å; T10-F49 HydrophobicContact CG2-CG 3.69Å; T10-I92 HydrophobicContact CG2-CB 4.13Å; T10-I92 HydrophobicContact CG2-CD1 4.33Å; T10-I92 HydrophobicContact CG2-CG2 4.39Å; T10-I92 WeakPolarHBondContact O-CA 3.24Å; T10-I92 WeakPolarHBondContact O-CB 3.44Å; T10-I92 PolarHBondContact O-N 2.8Å; T10-N93 PolarHBondContact N-O 2.88Å; T10-N93 PolarHBondContact O-N 3.29Å
11	L	98.5	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.6	-172.5	-52.7	177.7	0	0	0	111.9	L9 K13 I19 F49 D50 V52 P90 I91	L9-L11 HydrophobicContact CB-CD2 3.81Å; L9-L11 HydrophobicContact CB-CG 4.16Å; L9-L11 HydrophobicContact CD1-CD2 4.31Å; L11-K13 PolarHBondContact O-N 3.19Å; L11-I19 HydrophobicContact CD1-CB 3.92Å; L11-I19 HydrophobicContact CD1-CG1 3.82Å; L11-I19 HydrophobicContact CD1-CG2 4.11Å; L11-I19 HydrophobicContact CD2-CG1 4.24Å; L11-F49 VanDerWaalsContact O-CB 3.24Å; L11-F49 WeakPolarHBondContact O-CB 3.28Å; L11-D50 HydrophobicContact CB-CB 4.16Å; L11-D50 PolarHBondContact N-O 3.42Å; L11-D50 PolarHBondContact O-N 3.46Å; L11-V52 HydrophobicContact CD1-CB 4.01Å; L11-V52 HydrophobicContact CD1-CG2 3.58Å; L11-P90 CarbonylContact C-O 3.57Å; L11-P90 WeakPolarHBondContact CA-O 3.33Å; L11-I91 HydrophobicContact CD2-CB 4.17Å; L11-I91 HydrophobicContact CD2-CG1 3.67Å; L11-I91 HydrophobicContact CD2-CG2 4.46Å
12	T	98.2	Very high	98	Very high	49 Å²	49	49.6 Å²	49.6	30%	0.301	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.7	167.2	-59.8	0	0	0	0	109.8	G14 T15 P90	T12-G14 PolarHBondContact O-N 3.39Å; T12-T15 HydrophobicContact CG2-CG2 4.32Å; T12-T15 WeakPolarHBondContact O-CB 3.16Å; T12-T15 WeakPolarHBondContact O-CG2 3.14Å; T12-T15 PolarHBondContact O-N 2.67Å; T12-T15 PolarHBondContact O-OG1 2.86Å; T12-P90 PolarHBondContact N-O 2.85Å; T12-P90 PolarHBondContact OG1-O 3.21Å
13	K	98.3	Very high	98.2	Very high	94 Å²	94	48.2 Å²	48.2	41%	0.409	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.1	-176.3	-165.5	65	176.4	165.9	0	112.2	L11 Q46 E47 F49 D50	L11-K13 PolarHBondContact O-N 3.19Å; K13-Q46 PolarHBondContact NZ-O 2.99Å; K13-E47 WeakPolarHBondContact CE-O 3.41Å; K13-F49 PolarHBondContact NZ-O 2.95Å; K13-D50 IonicContact NZ-OD1 3.6Å; K13-D50 PolarHBondContact NZ-OD1 3.24Å; K13-D50 VanDerWaalsContact NZ-OD1 3.17Å
14	G	98.2	Very high	98.1	Very high	61 Å²	61	56.4 Å²	56.4	63%	0.629	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	3.2	178.3	0	0	0	0	0	115	T12 D50	T12-G14 PolarHBondContact O-N 3.39Å; G14-D50 WeakPolarHBondContact CA-OD2 3.47Å; G14-D50 PolarHBondContact N-OD2 2.78Å
15	T	98.4	Very high	97.9	Very high	28 Å²	28	58.3 Å²	58.3	17%	0.172	29%	0.288	C	S	.	.			trans	-104.6	-0.7	-176.5	67.4	0	0	0	0	113.9	T12 K17 D18 I19 D50 P90	T12-T15 HydrophobicContact CG2-CG2 4.32Å; T12-T15 WeakPolarHBondContact O-CB 3.16Å; T12-T15 WeakPolarHBondContact O-CG2 3.14Å; T12-T15 PolarHBondContact O-N 2.67Å; T12-T15 PolarHBondContact O-OG1 2.86Å; T15-K17 VanDerWaalsContact C-N 3.31Å; T15-K17 PolarHBondContact O-N 2.81Å; T15-D18 PolarHBondContact O-N 2.84Å; T15-I19 PolarHBondContact O-N 3.37Å; T15-D50 PolarHBondContact N-OD2 3.26Å; T15-D50 VanDerWaalsContact N-OD2 3.14Å; T15-P90 HydrophobicContact CG2-CB 3.88Å; T15-P90 WeakPolarHBondContact OG1-CB 3.18Å
16	A	98.5	Very high	97.7	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-53.7	-46.1	179.7	0	0	0	0	0	112.9	D18 I19 I20 Q42 D50 V52	A16-D18 PolarHBondContact O-N 3.13Å; A16-I19 PolarHBondContact O-N 3.39Å; A16-I20 HydrophobicContact CB-CD1 4.35Å; A16-I20 WeakPolarHBondContact O-CB 3.4Å; A16-I20 WeakPolarHBondContact O-CG1 3.5Å; A16-I20 PolarHBondContact O-N 2.79Å; A16-Q42 VanDerWaalsContact CB-CD 3.46Å; A16-Q42 HydrophobicContact CB-CG 3.95Å; A16-D50 HydrophobicContact CB-CB 3.86Å; A16-D50 WeakPolarHBondContact CB-OD2 3.49Å; A16-D50 PolarHBondContact N-OD2 3.46Å; A16-D50 VanDerWaalsContact N-OD2 3.1Å; A16-V52 HydrophobicContact CB-CG2 3.78Å
17	K	98.3	Very high	97.4	Very high	136 Å²	136	66.9 Å²	66.9	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-56.9	-50.2	-176.5	-177.1	-178.5	170.6	-172.8	0	111.5	T15 I19 I20 E21	T15-K17 VanDerWaalsContact C-N 3.31Å; T15-K17 PolarHBondContact O-N 2.81Å; K17-I19 VanDerWaalsContact C-N 3.27Å; K17-I19 PolarHBondContact O-N 2.85Å; K17-I20 PolarHBondContact O-N 3.4Å; K17-I20 VanDerWaalsContact O-N 3.12Å; K17-E21 WeakPolarHBondContact CE-OE1 3.38Å; K17-E21 IonicContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.3Å; K17-E21 PolarHBondContact O-N 3.35Å
18	D	97.6	Very high	97.3	Very high	96 Å²	96	65.4 Å²	65.4	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-35.2	-178.7	-61.6	-8.4	0	0	0	111.9	T15 A16 R22	T15-D18 PolarHBondContact O-N 2.84Å; A16-D18 PolarHBondContact O-N 3.13Å; D18-R22 WeakPolarHBondContact O-CG 3.48Å
19	I	97.4	Very high	97.2	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-71	-42.5	174.4	-68.4	-59.5	0	0	0	111.2	L9 L11 T15 A16 K17 E21 R22 F23 P90 I91	L9-I19 HydrophobicContact CD1-CG2 4.05Å; L11-I19 HydrophobicContact CD1-CB 3.92Å; L11-I19 HydrophobicContact CD1-CG1 3.82Å; L11-I19 HydrophobicContact CD1-CG2 4.11Å; L11-I19 HydrophobicContact CD2-CG1 4.24Å; T15-I19 PolarHBondContact O-N 3.37Å; A16-I19 PolarHBondContact O-N 3.39Å; K17-I19 VanDerWaalsContact C-N 3.27Å; K17-I19 PolarHBondContact O-N 2.85Å; I19-E21 PolarHBondContact O-N 3.31Å; I19-R22 WeakPolarHBondContact O-CB 3.11Å; I19-R22 PolarHBondContact O-N 3.41Å; I19-F23 HydrophobicContact CG2-CE2 4.09Å; I19-F23 VanDerWaalsContact O-CD2 3.24Å; I19-F23 WeakPolarHBondContact O-CD2 3.46Å; I19-P90 HydrophobicContact CD1-CG 3.87Å; I19-P90 HydrophobicContact CG1-CG 4.14Å; I19-I91 HydrophobicContact CD1-CD1 4.5Å; I19-I91 HydrophobicContact CD1-CG1 4.4Å
20	I	98.4	Very high	97.1	Very high	31 Å²	31	66.3 Å²	66.3	16%	0.159	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-43.4	179.9	-70	165	0	0	0	111.1	A16 K17 R22 F23 V40 Q42 V52	A16-I20 HydrophobicContact CB-CD1 4.35Å; A16-I20 WeakPolarHBondContact O-CB 3.4Å; A16-I20 WeakPolarHBondContact O-CG1 3.5Å; A16-I20 PolarHBondContact O-N 2.79Å; K17-I20 PolarHBondContact O-N 3.4Å; K17-I20 VanDerWaalsContact O-N 3.12Å; I20-R22 PolarHBondContact O-N 2.83Å; I20-F23 WeakPolarHBondContact O-CB 3.32Å; I20-F23 PolarHBondContact O-N 2.99Å; I20-V40 HydrophobicContact CB-CG1 4.42Å; I20-V40 HydrophobicContact CG1-CG1 3.88Å; I20-V40 HydrophobicContact CG2-CG1 4.29Å; I20-Q42 HydrophobicContact CD1-CB 4.09Å; I20-V52 HydrophobicContact CD1-CG2 4.18Å; I20-V52 HydrophobicContact CG1-CG1 4.15Å; I20-V52 HydrophobicContact CG1-CG2 4.14Å
21	E	98	Very high	97	Very high	89 Å²	89	70.1 Å²	70.1	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-28.6	-179.6	-73.3	179.7	178.2	0	0	112.7	K17 I19 F23 Y24	K17-E21 WeakPolarHBondContact CE-OE1 3.38Å; K17-E21 IonicContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.3Å; K17-E21 PolarHBondContact O-N 3.35Å; I19-E21 PolarHBondContact O-N 3.31Å; E21-F23 PolarHBondContact O-N 3.06Å; E21-Y24 HydrophobicContact CG-CE2 4.35Å; E21-Y24 WeakPolarHBondContact O-CB 2.95Å; E21-Y24 PolarHBondContact O-N 3.42Å
22	R	96.3	Very high	96.9	Very high	140 Å²	140	71.7 Å²	71.7	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-31.1	173.2	-63.6	175.2	-174	-156.9	0.5	112.1	D18 I19 I20 Y24 T25	D18-R22 WeakPolarHBondContact O-CG 3.48Å; I19-R22 WeakPolarHBondContact O-CB 3.11Å; I19-R22 PolarHBondContact O-N 3.41Å; I20-R22 PolarHBondContact O-N 2.83Å; R22-Y24 PolarHBondContact O-N 3.38Å; R22-T25 PolarHBondContact O-N 3.32Å
23	F	97.3	Very high	96.7	Very high	58 Å²	58	77.8 Å²	77.8	25%	0.254	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.8	177.9	-65	-87.8	0	0	0	113.5	I19 I20 E21 T25 R26 M38 V40 I54	I19-F23 HydrophobicContact CG2-CE2 4.09Å; I19-F23 VanDerWaalsContact O-CD2 3.24Å; I19-F23 WeakPolarHBondContact O-CD2 3.46Å; I20-F23 WeakPolarHBondContact O-CB 3.32Å; I20-F23 PolarHBondContact O-N 2.99Å; E21-F23 PolarHBondContact O-N 3.06Å; F23-T25 VanDerWaalsContact C-N 3.31Å; F23-R26 PolarHBondContact O-NH1 3.28Å; F23-R26 PolarHBondContact O-NH2 2.87Å; F23-M38 HydrophobicContact CD1-CE 3.79Å; F23-M38 HydrophobicContact CE1-CE 4.44Å; F23-V40 HydrophobicContact CB-CG2 3.8Å; F23-V40 HydrophobicContact CD1-CG2 4.19Å; F23-V40 HydrophobicContact CD2-CG1 4.18Å; F23-V40 HydrophobicContact CD2-CG2 4.28Å; F23-V40 HydrophobicContact CG-CG2 3.84Å; F23-I54 HydrophobicContact CE1-CG1 3.73Å; F23-I54 HydrophobicContact CE1-CG2 4.23Å; F23-I54 HydrophobicContact CE2-CD1 4.29Å; F23-I54 HydrophobicContact CE2-CG1 4.03Å; F23-I54 HydrophobicContact CZ-CD1 3.86Å; F23-I54 HydrophobicContact CZ-CG1 3.47Å; F23-I54 VanDerWaalsContact CZ-CG1 3.47Å
24	Y	96.8	Very high	96.7	Very high	175 Å²	175	73.6 Å²	73.6	69%	0.686	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.5	168.3	-67.9	-6.6	0	0	0	111.8	E21 R22 R26	E21-Y24 HydrophobicContact CG-CE2 4.35Å; E21-Y24 WeakPolarHBondContact O-CB 2.95Å; E21-Y24 PolarHBondContact O-N 3.42Å; R22-Y24 PolarHBondContact O-N 3.38Å; Y24-R26 PolarHBondContact O-NH1 3.1Å
25	T	94.4	Very high	96.7	Very high	86 Å²	86	72.5 Å²	72.5	53%	0.528	34%	0.343	S	S	.	.	S	Bend	trans	-86.1	128.7	175.1	-55.9	0	0	0	0	110.3	R22 F23	R22-T25 PolarHBondContact O-N 3.32Å; F23-T25 VanDerWaalsContact C-N 3.31Å
26	R	93.8	Very high	96.6	Very high	98 Å²	98	74.1 Å²	74.1	37%	0.37	35%	0.351	S	S	.	.			trans	-84.8	149.4	174.1	-62.3	-76.3	66.7	72.5	2.8	110.5	F23 Y24	F23-R26 PolarHBondContact O-NH1 3.28Å; F23-R26 PolarHBondContact O-NH2 2.87Å; Y24-R26 PolarHBondContact O-NH1 3.1Å
27	H	94.1	Very high	96.6	Very high	102 Å²	102	75 Å²	75	47%	0.472	36%	0.361	S	S	.	.			trans	-130.5	22.3	-178.6	-66.2	-62.4	0	0	0	112.5	V72 A76	H27-V72 WeakPolarHBondContact O-CG1 3.49Å; H27-A76 HydrophobicContact CB-CB 3.78Å
28	G	95.7	Very high	96.6	Very high	11 Å²	11	70.8 Å²	70.8	11%	0.113	34%	0.344	C	S	.	.	S	Bend	trans	101.7	-1.1	175.1	0	0	0	0	0	115.3	E30 T31 L32 V72	G28-E30 VanDerWaalsContact C-OE2 3.28Å; G28-E30 VanDerWaalsContact CA-OE1 3.3Å; G28-E30 WeakPolarHBondContact CA-OE1 3.41Å; G28-E30 WeakPolarHBondContact CA-OE2 3.38Å; G28-E30 PolarHBondContact N-OE1 3.26Å; G28-E30 PolarHBondContact N-OE2 3.3Å; G28-E30 PolarHBondContact O-N 3.5Å; G28-T31 PolarHBondContact O-N 2.84Å; G28-T31 PolarHBondContact O-OG1 3.33Å; G28-L32 VanDerWaalsContact O-CD1 3.28Å; G28-L32 WeakPolarHBondContact O-CD1 3.46Å; G28-V72 WeakPolarHBondContact O-CG1 3.4Å
29	I	96.4	Very high	96.7	Very high	16 Å²	16	71.2 Å²	71.2	8%	0.082	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33	177.2	-169.1	172.6	0	0	0	111.7	T31 L32 F35 T56 W58 W67	I29-T31 PolarHBondContact O-N 3.22Å; I29-L32 PolarHBondContact O-N 3.15Å; I29-F35 HydrophobicContact CD1-CD2 3.78Å; I29-F35 HydrophobicContact CD1-CE2 3.46Å; I29-F35 VanDerWaalsContact CD1-CE2 3.46Å; I29-F35 HydrophobicContact CD1-CZ 3.99Å; I29-F35 HydrophobicContact CG1-CD1 4.38Å; I29-F35 HydrophobicContact CG1-CD2 3.74Å; I29-F35 HydrophobicContact CG1-CE1 4.43Å; I29-F35 HydrophobicContact CG1-CE2 3.81Å; I29-F35 HydrophobicContact CG1-CG 4.02Å; I29-F35 HydrophobicContact CG1-CZ 4.15Å; I29-F35 HydrophobicContact CG2-CE1 4.13Å; I29-F35 HydrophobicContact CG2-CZ 4.07Å; I29-T56 HydrophobicContact CD1-CG2 4.25Å; I29-W58 HydrophobicContact CD1-CH2 3.86Å; I29-W58 HydrophobicContact CD1-CZ2 3.98Å; I29-W58 HydrophobicContact CG1-CH2 3.87Å; I29-W58 HydrophobicContact CG1-CZ2 4.49Å; I29-W67 HydrophobicContact CD1-CD2 4.27Å; I29-W67 HydrophobicContact CD1-CH2 4.3Å; I29-W67 HydrophobicContact CD1-CZ2 3.64Å; I29-W67 HydrophobicContact CG1-CZ2 4.39Å
30	E	96.1	Very high	96.7	Very high	96 Å²	96	73 Å²	73	45%	0.449	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-65	-16	176.2	69	-75.6	177.3	0	0	114.5	G28	G28-E30 VanDerWaalsContact C-OE2 3.28Å; G28-E30 VanDerWaalsContact CA-OE1 3.3Å; G28-E30 WeakPolarHBondContact CA-OE1 3.41Å; G28-E30 WeakPolarHBondContact CA-OE2 3.38Å; G28-E30 PolarHBondContact N-OE1 3.26Å; G28-E30 PolarHBondContact N-OE2 3.3Å; G28-E30 PolarHBondContact O-N 3.5Å
31	T	96.2	Very high	96.8	Very high	102 Å²	102	74 Å²	74	63%	0.626	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-86.5	-11.4	178.9	73.8	0	0	0	0	112.8	G28 I29	G28-T31 PolarHBondContact O-N 2.84Å; G28-T31 PolarHBondContact O-OG1 3.33Å; I29-T31 PolarHBondContact O-N 3.22Å
32	L	96	Very high	96.8	Very high	33 Å²	33	73.9 Å²	73.9	17%	0.173	36%	0.359	C	S	.	.	S	Bend	trans	-80.9	127.4	-176	-80.2	75.9	0	0	0	111.3	G28 I29 G34 F35 W67 V72	G28-L32 VanDerWaalsContact O-CD1 3.28Å; G28-L32 WeakPolarHBondContact O-CD1 3.46Å; I29-L32 PolarHBondContact O-N 3.15Å; L32-G34 PolarHBondContact O-N 2.64Å; L32-G34 VanDerWaalsContact O-N 3.13Å; L32-F35 PolarHBondContact O-N 2.96Å; L32-W67 HydrophobicContact CD2-CB 3.38Å; L32-W67 VanDerWaalsContact CD2-CD1 3.48Å; L32-W67 HydrophobicContact CD2-CG 3.79Å; L32-V72 HydrophobicContact CD1-CB 4.18Å; L32-V72 HydrophobicContact CD1-CG1 3.94Å; L32-V72 HydrophobicContact CD1-CG2 4.08Å
33	E	95	Very high	96.9	Very high	177 Å²	177	69 Å²	69	83%	0.827	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	120.3	168.8	-168.5	-175.9	177	0	0	109.6
34	G	97.3	Very high	97	Very high	5 Å²	5	72.9 Å²	72.9	5%	0.052	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	-5.8	178.7	0	0	0	0	0	114.8	L32 W58 K59	L32-G34 PolarHBondContact O-N 2.64Å; L32-G34 VanDerWaalsContact O-N 3.13Å; G34-W58 CarbonylContact O-C 3.45Å; G34-W58 WeakPolarHBondContact O-CA 3.39Å; G34-K59 PolarHBondContact O-N 2.94Å
35	F	98.4	Very high	97	Very high	39 Å²	39	73.8 Å²	73.8	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.8	165.3	-179.8	-111.1	0	0	0	110.2	I29 L32 G37 M38 T56 W58	I29-F35 HydrophobicContact CD1-CD2 3.78Å; I29-F35 HydrophobicContact CD1-CE2 3.46Å; I29-F35 VanDerWaalsContact CD1-CE2 3.46Å; I29-F35 HydrophobicContact CD1-CZ 3.99Å; I29-F35 HydrophobicContact CG1-CD1 4.38Å; I29-F35 HydrophobicContact CG1-CD2 3.74Å; I29-F35 HydrophobicContact CG1-CE1 4.43Å; I29-F35 HydrophobicContact CG1-CE2 3.81Å; I29-F35 HydrophobicContact CG1-CG 4.02Å; I29-F35 HydrophobicContact CG1-CZ 4.15Å; I29-F35 HydrophobicContact CG2-CE1 4.13Å; I29-F35 HydrophobicContact CG2-CZ 4.07Å; L32-F35 PolarHBondContact O-N 2.96Å; F35-G37 WeakPolarHBondContact CE2-O 3.41Å; F35-G37 WeakPolarHBondContact CZ-O 3.1Å; F35-M38 HydrophobicContact CE2-CB 4.22Å; F35-M38 HydrophobicContact CZ-CB 3.91Å; F35-M38 HydrophobicContact CZ-CG 4.09Å; F35-M38 HydrophobicContact CZ-SD 4.4Å; F35-T56 HydrophobicContact CE2-CG2 4.36Å; F35-W58 HydrophobicContact CB-CE3 3.98Å; F35-W58 HydrophobicContact CB-CH2 4.25Å; F35-W58 HydrophobicContact CB-CZ3 3.64Å; F35-W58 HydrophobicContact CD2-CD2 4.35Å; F35-W58 HydrophobicContact CD2-CE3 4.18Å; F35-W58 AromaticContact CD2-CH2 3.69Å; F35-W58 HydrophobicContact CD2-CH2 3.69Å; F35-W58 AromaticContact CD2-CZ2 3.88Å; F35-W58 HydrophobicContact CD2-CZ2 3.88Å; F35-W58 AromaticContact CD2-CZ3 3.86Å; F35-W58 HydrophobicContact CD2-CZ3 3.86Å; F35-W58 HydrophobicContact CE2-CZ2 4.44Å; F35-W58 HydrophobicContact CG-CH2 4.37Å; F35-W58 HydrophobicContact CG-CZ3 4.21Å
36	D	97.8	Very high	97.1	Very high	61 Å²	61	72.5 Å²	72.5	33%	0.326	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-21	-179.1	-83.5	-0.6	0	0	0	112.2	K2 V57 K59	K2-D36 WeakPolarHBondContact CE-OD2 3.35Å; K2-D36 IonicContact NZ-OD2 3.29Å; K2-D36 PolarHBondContact NZ-OD2 3.09Å; D36-V57 HydrophobicContact CB-CB 4.19Å; D36-V57 HydrophobicContact CB-CG1 3.9Å; D36-V57 WeakPolarHBondContact CB-O 3.38Å; D36-V57 PolarHBondContact N-O 2.84Å; D36-K59 WeakPolarHBondContact OD1-CG 3.36Å
37	G	98	Very high	97.2	Very high	21 Å²	21	75.9 Å²	75.9	22%	0.216	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.8	178.4	177.7	0	0	0	0	0	113.7	F35 V57	F35-G37 WeakPolarHBondContact CE2-O 3.41Å; F35-G37 WeakPolarHBondContact CZ-O 3.1Å; G37-V57 PolarHBondContact N-O 3.04Å; G37-V57 PolarHBondContact O-N 3.44Å
38	M	98.4	Very high	97.4	Very high	47 Å²	47	77.6 Å²	77.6	23%	0.232	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.4	177.5	67.3	-176.2	-62.6	0	0	113.3	F23 F35 V40 I54 L55 T56	F23-M38 HydrophobicContact CD1-CE 3.79Å; F23-M38 HydrophobicContact CE1-CE 4.44Å; F35-M38 HydrophobicContact CE2-CB 4.22Å; F35-M38 HydrophobicContact CZ-CB 3.91Å; F35-M38 HydrophobicContact CZ-CG 4.09Å; F35-M38 HydrophobicContact CZ-SD 4.4Å; M38-V40 HydrophobicContact CE-CG2 3.83Å; M38-I54 HydrophobicContact CE-CG2 3.81Å; M38-L55 CarbonylContact C-O 3.45Å; M38-L55 WeakPolarHBondContact CA-O 3.41Å; M38-L55 WeakPolarHBondContact CB-O 3.47Å; M38-T56 HydrophobicContact CB-CG2 4.22Å
39	F	98.6	Very high	97.5	Very high	104 Å²	104	79.9 Å²	79.9	46%	0.456	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.7	168.3	-59.2	-89.6	0	0	0	109.2	T41 L55	F39-T41 HydrophobicContact CB-CG2 4.43Å; F39-L55 HydrophobicContact CB-CB 4.24Å; F39-L55 HydrophobicContact CB-CD1 4.43Å; F39-L55 PolarHBondContact N-O 3.08Å; F39-L55 PolarHBondContact O-N 3.02Å
40	V	98.7	Very high	97.6	Very high	42 Å²	42	79.5 Å²	79.5	26%	0.255	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120	169.2	-172.8	0	0	0	0	106.9	I20 F23 M38 V52 K53	I20-V40 HydrophobicContact CB-CG1 4.42Å; I20-V40 HydrophobicContact CG1-CG1 3.88Å; I20-V40 HydrophobicContact CG2-CG1 4.29Å; F23-V40 HydrophobicContact CB-CG2 3.8Å; F23-V40 HydrophobicContact CD1-CG2 4.19Å; F23-V40 HydrophobicContact CD2-CG1 4.18Å; F23-V40 HydrophobicContact CD2-CG2 4.28Å; F23-V40 HydrophobicContact CG-CG2 3.84Å; M38-V40 HydrophobicContact CE-CG2 3.83Å; V40-V52 HydrophobicContact CG1-CG1 3.82Å; V40-K53 WeakPolarHBondContact CA-O 3.4Å
41	T	98.8	Very high	97.8	Very high	53 Å²	53	75.6 Å²	75.6	33%	0.325	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.1	-175.3	68.7	0	0	0	0	110.8	F39 V52 K53	F39-T41 HydrophobicContact CB-CG2 4.43Å; T41-V52 CarbonylContact O-C 3.53Å; T41-V52 WeakPolarHBondContact O-CA 3.24Å; T41-K53 PolarHBondContact N-O 3.1Å; T41-K53 PolarHBondContact O-N 3Å
42	Q	98.7	Very high	97.9	Very high	86 Å²	86	70.8 Å²	70.8	40%	0.402	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.1	166	-176	179	1	0	0	108.2	A16 I20 L44 E51	A16-Q42 VanDerWaalsContact CB-CD 3.46Å; A16-Q42 HydrophobicContact CB-CG 3.95Å; I20-Q42 HydrophobicContact CD1-CB 4.09Å; Q42-L44 PolarHBondContact O-N 2.96Å; Q42-E51 CarbonylContact C-O 3.6Å; Q42-E51 WeakPolarHBondContact CA-O 3.44Å
43	T	98.7	Very high	98	Very high	36 Å²	36	71.6 Å²	71.6	22%	0.221	36%	0.358	C	S	.	.			trans	-72.3	126.8	173.6	-54	0	0	0	0	109	Q46 E51	T43-Q46 HydrophobicContact CG2-CG 4.08Å; T43-E51 WeakPolarHBondContact CB-OE1 3.49Å; T43-E51 PolarHBondContact N-O 3.37Å; T43-E51 PolarHBondContact OG1-OE1 3.21Å
44	L	98.5	Very high	98.2	Very high	140 Å²	140	63.9 Å²	63.9	73%	0.733	32%	0.322	S	S	*	.	S	Bend	trans	-74.2	161.1	176.2	-59.3	178.4	0	0	0	110.8	Q42 Q46	Q42-L44 PolarHBondContact O-N 2.96Å; L44-Q46 PolarHBondContact O-N 3.49Å
45	E	97.4	Very high	98.3	Very high	195 Å²	195	65.1 Å²	65.1	91%	0.911	33%	0.328	S	S	*	.	S	Bend	trans	57.5	32.5	171.1	-58.1	174.6	-177.7	0	0	114.4
46	Q	97.2	Very high	98.3	Very high	58 Å²	58	63.6 Å²	63.6	27%	0.271	32%	0.321	S	S	.	.			trans	-84	136.4	167	-64.9	-61.4	-61.9	0	0	110.2	K13 T43 L44 F49 E51	K13-Q46 PolarHBondContact NZ-O 2.99Å; T43-Q46 HydrophobicContact CG2-CG 4.08Å; L44-Q46 PolarHBondContact O-N 3.49Å; Q46-F49 WeakPolarHBondContact CB-O 3.38Å; Q46-E51 HydrophobicContact CG-CB 4.28Å
47	E	96.3	Very high	98.3	Very high	170 Å²	170	61.7 Å²	61.7	79%	0.794	31%	0.312	S	S	*	.	S	Bend	trans	-87.1	-64.1	-177.6	-62.1	-174.3	157.2	0	0	111.7	K13	K13-E47 WeakPolarHBondContact CE-O 3.41Å
48	D	97.5	Very high	98.3	Very high	137 Å²	137	60.7 Å²	60.7	73%	0.733	30%	0.301	S	S	*	.	S	Bend	trans	-85.4	-28.6	-166.7	-63	-40.7	0	0	0	115
49	F	98.4	Very high	98.3	Very high	59 Å²	59	64.2 Å²	64.2	26%	0.259	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	169.6	-175.4	55.9	-93.8	0	0	0	110.5	T10 L11 K13 Q46 E51	T10-F49 HydrophobicContact CG2-CB 3.98Å; T10-F49 HydrophobicContact CG2-CD1 4.21Å; T10-F49 HydrophobicContact CG2-CD2 3.66Å; T10-F49 HydrophobicContact CG2-CE2 4.14Å; T10-F49 HydrophobicContact CG2-CG 3.69Å; L11-F49 VanDerWaalsContact O-CB 3.24Å; L11-F49 WeakPolarHBondContact O-CB 3.28Å; K13-F49 PolarHBondContact NZ-O 2.95Å; Q46-F49 WeakPolarHBondContact CB-O 3.38Å; F49-E51 HydrophobicContact CD2-CB 4.36Å; F49-E51 HydrophobicContact CE2-CB 4.11Å
50	D	98.6	Very high	98.3	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.5	162.8	-76.2	-17	0	0	0	109.3	L11 K13 G14 T15 A16	L11-D50 HydrophobicContact CB-CB 4.16Å; L11-D50 PolarHBondContact N-O 3.42Å; L11-D50 PolarHBondContact O-N 3.46Å; K13-D50 IonicContact NZ-OD1 3.6Å; K13-D50 PolarHBondContact NZ-OD1 3.24Å; K13-D50 VanDerWaalsContact NZ-OD1 3.17Å; G14-D50 WeakPolarHBondContact CA-OD2 3.47Å; G14-D50 PolarHBondContact N-OD2 2.78Å; T15-D50 PolarHBondContact N-OD2 3.26Å; T15-D50 VanDerWaalsContact N-OD2 3.14Å; A16-D50 HydrophobicContact CB-CB 3.86Å; A16-D50 WeakPolarHBondContact CB-OD2 3.49Å; A16-D50 PolarHBondContact N-OD2 3.46Å; A16-D50 VanDerWaalsContact N-OD2 3.1Å
51	E	98.8	Very high	98.3	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.065	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123	171.8	-174.4	179.9	81.6	0	0	108.9	R8 L9 Q42 T43 Q46 F49 K53	R8-E51 WeakPolarHBondContact CD-OE2 3.46Å; R8-E51 HydrophobicContact CG-CG 3.88Å; R8-E51 IonicContact CZ-OE2 3.76Å; R8-E51 IonicContact NE-OE2 3.91Å; R8-E51 IonicContact NH1-OE2 3.59Å; L9-E51 WeakPolarHBondContact O-CA 3.45Å; Q42-E51 CarbonylContact C-O 3.6Å; Q42-E51 WeakPolarHBondContact CA-O 3.44Å; T43-E51 WeakPolarHBondContact CB-OE1 3.49Å; T43-E51 PolarHBondContact N-O 3.37Å; T43-E51 PolarHBondContact OG1-OE1 3.21Å; Q46-E51 HydrophobicContact CG-CB 4.28Å; F49-E51 HydrophobicContact CD2-CB 4.36Å; F49-E51 HydrophobicContact CE2-CB 4.11Å; E51-K53 WeakPolarHBondContact OE1-CE 3.5Å; E51-K53 IonicContact OE1-NZ 2.84Å; E51-K53 PolarHBondContact OE1-NZ 2.87Å
52	V	98.8	Very high	98.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.9	173.8	170.8	0	0	0	0	109.3	L9 L11 A16 I20 V40 T41 I54	L9-V52 HydrophobicContact CB-CB 4.47Å; L9-V52 PolarHBondContact N-O 3.45Å; L9-V52 PolarHBondContact O-N 3Å; L11-V52 HydrophobicContact CD1-CB 4.01Å; L11-V52 HydrophobicContact CD1-CG2 3.58Å; A16-V52 HydrophobicContact CB-CG2 3.78Å; I20-V52 HydrophobicContact CD1-CG2 4.18Å; I20-V52 HydrophobicContact CG1-CG1 4.15Å; I20-V52 HydrophobicContact CG1-CG2 4.14Å; V40-V52 HydrophobicContact CG1-CG1 3.82Å; T41-V52 CarbonylContact O-C 3.53Å; T41-V52 WeakPolarHBondContact O-CA 3.24Å; V52-I54 HydrophobicContact CG1-CD1 4.25Å
53	K	98.8	Very high	98.2	Very high	50 Å²	50	64.5 Å²	64.5	22%	0.217	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	176.9	-63.1	174.1	-176.8	175.6	0	110.4	E6 R8 V40 T41 E51 L55	E6-K53 HydrophobicContact CG-CB 4.35Å; E6-K53 HydrophobicContact CG-CG 4.4Å; E6-K53 VanDerWaalsContact OE1-CD 3.3Å; E6-K53 WeakPolarHBondContact OE1-CD 3.49Å; E6-K53 WeakPolarHBondContact OE1-CE 3.16Å; R8-K53 HydrophobicContact CB-CG 4.46Å; R8-K53 HydrophobicContact CG-CG 4.03Å; V40-K53 WeakPolarHBondContact CA-O 3.4Å; T41-K53 PolarHBondContact N-O 3.1Å; T41-K53 PolarHBondContact O-N 3Å; E51-K53 WeakPolarHBondContact OE1-CE 3.5Å; E51-K53 IonicContact OE1-NZ 2.84Å; E51-K53 PolarHBondContact OE1-NZ 2.87Å; K53-L55 HydrophobicContact CB-CD2 4.2Å; K53-L55 HydrophobicContact CB-CG 4.46Å
54	I	98.7	Very high	98.2	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	105.6	169.9	-57.2	85.2	0	0	0	107.1	E6 N7 L9 F23 M38 V52 T56	E6-I54 CarbonylContact C-O 3.57Å; E6-I54 VanDerWaalsContact CA-O 3.32Å; E6-I54 WeakPolarHBondContact CA-O 3.21Å; N7-I54 HydrophobicContact CB-CB 4.43Å; N7-I54 PolarHBondContact N-O 3.28Å; N7-I54 WeakPolarHBondContact O-CD1 3.24Å; N7-I54 PolarHBondContact O-N 2.82Å; L9-I54 HydrophobicContact CD1-CD1 3.64Å; L9-I54 HydrophobicContact CG-CD1 3.76Å; F23-I54 HydrophobicContact CE1-CG1 3.73Å; F23-I54 HydrophobicContact CE1-CG2 4.23Å; F23-I54 HydrophobicContact CE2-CD1 4.29Å; F23-I54 HydrophobicContact CE2-CG1 4.03Å; F23-I54 HydrophobicContact CZ-CD1 3.86Å; F23-I54 HydrophobicContact CZ-CG1 3.47Å; F23-I54 VanDerWaalsContact CZ-CG1 3.47Å; M38-I54 HydrophobicContact CE-CG2 3.81Å; V52-I54 HydrophobicContact CG1-CD1 4.25Å; I54-T56 HydrophobicContact CG2-CG2 4.29Å
55	L	98.7	Very high	98.1	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.1	178.6	-51.4	178.3	0	0	0	108.4	M4 E6 M38 F39 K53	M4-L55 HydrophobicContact SD-CB 4.35Å; M4-L55 HydrophobicContact SD-CD2 4.47Å; E6-L55 HydrophobicContact CB-CD2 3.66Å; E6-L55 HydrophobicContact CG-CD2 3.65Å; M38-L55 CarbonylContact C-O 3.45Å; M38-L55 WeakPolarHBondContact CA-O 3.41Å; M38-L55 WeakPolarHBondContact CB-O 3.47Å; F39-L55 HydrophobicContact CB-CB 4.24Å; F39-L55 HydrophobicContact CB-CD1 4.43Å; F39-L55 PolarHBondContact N-O 3.08Å; F39-L55 PolarHBondContact O-N 3.02Å; K53-L55 HydrophobicContact CB-CD2 4.2Å; K53-L55 HydrophobicContact CB-CG 4.46Å
56	T	98.7	Very high	98.1	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	177	54.4	0	0	0	0	109.5	M4 A5 I29 F35 M38 I54 W58	M4-T56 CarbonylContact C-O 3.57Å; M4-T56 VanDerWaalsContact CA-O 3.24Å; M4-T56 WeakPolarHBondContact CA-O 3.21Å; M4-T56 WeakPolarHBondContact CG-O 3.32Å; A5-T56 PolarHBondContact N-O 3.34Å; A5-T56 PolarHBondContact O-N 2.98Å; A5-T56 PolarHBondContact O-OG1 2.79Å; A5-T56 VanDerWaalsContact O-OG1 3.05Å; I29-T56 HydrophobicContact CD1-CG2 4.25Å; F35-T56 HydrophobicContact CE2-CG2 4.36Å; M38-T56 HydrophobicContact CB-CG2 4.22Å; I54-T56 HydrophobicContact CG2-CG2 4.29Å; T56-W58 HydrophobicContact CG2-CZ2 4.39Å; T56-W58 PolarHBondContact O-NE1 3.33Å; T56-W58 PolarHBondContact OG1-NE1 2.83Å
57	V	98.6	Very high	98.1	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.127	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.4	-178.2	-176.7	0	0	0	0	109	M4 D36 G37 I101	M4-V57 HydrophobicContact CE-CG2 3.99Å; D36-V57 HydrophobicContact CB-CB 4.19Å; D36-V57 HydrophobicContact CB-CG1 3.9Å; D36-V57 WeakPolarHBondContact CB-O 3.38Å; D36-V57 PolarHBondContact N-O 2.84Å; G37-V57 PolarHBondContact N-O 3.04Å; G37-V57 PolarHBondContact O-N 3.44Å; V57-I101 HydrophobicContact CG1-CD1 3.69Å
58	W	98.7	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.3	-171	-52.9	85.9	0	0	0	112.3	K2 F3 I29 G34 F35 T56 S60 A63 F64 W67	K2-W58 WeakPolarHBondContact CA-O 3.38Å; F3-W58 HydrophobicContact CB-CB 4.31Å; F3-W58 HydrophobicContact CD1-CB 4.31Å; F3-W58 AromaticContact CD1-CD1 3.88Å; F3-W58 HydrophobicContact CD1-CG 4.32Å; F3-W58 PolarHBondContact N-O 2.84Å; F3-W58 PolarHBondContact O-N 3.05Å; I29-W58 HydrophobicContact CD1-CH2 3.86Å; I29-W58 HydrophobicContact CD1-CZ2 3.98Å; I29-W58 HydrophobicContact CG1-CH2 3.87Å; I29-W58 HydrophobicContact CG1-CZ2 4.49Å; G34-W58 CarbonylContact O-C 3.45Å; G34-W58 WeakPolarHBondContact O-CA 3.39Å; F35-W58 HydrophobicContact CB-CE3 3.98Å; F35-W58 HydrophobicContact CB-CH2 4.25Å; F35-W58 HydrophobicContact CB-CZ3 3.64Å; F35-W58 HydrophobicContact CD2-CD2 4.35Å; F35-W58 HydrophobicContact CD2-CE3 4.18Å; F35-W58 AromaticContact CD2-CH2 3.69Å; F35-W58 HydrophobicContact CD2-CH2 3.69Å; F35-W58 AromaticContact CD2-CZ2 3.88Å; F35-W58 HydrophobicContact CD2-CZ2 3.88Å; F35-W58 AromaticContact CD2-CZ3 3.86Å; F35-W58 HydrophobicContact CD2-CZ3 3.86Å; F35-W58 HydrophobicContact CE2-CZ2 4.44Å; F35-W58 HydrophobicContact CG-CH2 4.37Å; F35-W58 HydrophobicContact CG-CZ3 4.21Å; T56-W58 HydrophobicContact CG2-CZ2 4.39Å; T56-W58 PolarHBondContact O-NE1 3.33Å; T56-W58 PolarHBondContact OG1-NE1 2.83Å; W58-S60 VanDerWaalsContact C-N 3.25Å; W58-S60 WeakPolarHBondContact CB-O 3.27Å; W58-S60 PolarHBondContact O-N 3.47Å; W58-A63 HydrophobicContact CE3-CB 4.13Å; W58-F64 HydrophobicContact CD2-CB 3.88Å; W58-F64 AromaticContact CE2-CD2 3.78Å; W58-F64 HydrophobicContact CG-CB 3.9Å; W58-F64 AromaticContact CZ2-CD2 3.97Å; W58-F64 HydrophobicContact CZ2-CD2 3.97Å; W58-F64 AromaticContact NE1-CD2 3.55Å; W58-W67 HydrophobicContact CH2-CB 3.57Å; W58-W67 AromaticContact CH2-CD2 3.65Å; W58-W67 HydrophobicContact CH2-CD2 3.65Å; W58-W67 AromaticContact CH2-CE3 3.96Å; W58-W67 HydrophobicContact CH2-CE3 3.96Å; W58-W67 AromaticContact CH2-CG 3.5Å; W58-W67 HydrophobicContact CH2-CG 3.5Å; W58-W67 VanDerWaalsContact CH2-CG 3.5Å; W58-W67 HydrophobicContact CZ2-CB 4.34Å; W58-W67 AromaticContact CZ2-CD2 3.85Å; W58-W67 HydrophobicContact CZ2-CD2 3.85Å; W58-W67 AromaticContact CZ2-CE3 3.67Å; W58-W67 HydrophobicContact CZ2-CE3 3.67Å; W58-W67 HydrophobicContact CZ2-CG 4.17Å; W58-W67 HydrophobicContact CZ2-CZ3 4.26Å; W58-W67 HydrophobicContact CZ3-CB 3.96Å; W58-W67 HydrophobicContact CZ3-CG 4.31Å
59	K	98.1	Very high	98	Very high	121 Å²	121	46.9 Å²	46.9	53%	0.526	23%	0.227	S	C	.	.	S	Bend	trans	-64.4	-29.2	171.9	-66.2	-172.9	-173	167.9	0	112.7	G34 D36	G34-K59 PolarHBondContact O-N 2.94Å; D36-K59 WeakPolarHBondContact OD1-CG 3.36Å
60	S	98	Very high	97.8	Very high	45 Å²	45	45.4 Å²	45.4	32%	0.315	22%	0.224	S	C	.	.			trans	-155.9	160.9	178.3	73.9	0	0	0	0	112	W58 Q62 A63	W58-S60 VanDerWaalsContact C-N 3.25Å; W58-S60 WeakPolarHBondContact CB-O 3.27Å; W58-S60 PolarHBondContact O-N 3.47Å; S60-Q62 PolarHBondContact O-N 3.38Å; S60-Q62 PolarHBondContact OG-N 2.83Å; S60-A63 PolarHBondContact O-N 2.78Å; S60-A63 PolarHBondContact OG-N 3.4Å; S60-A63 VanDerWaalsContact OG-N 3.13Å
61	K	98	Very high	97.7	Very high	126 Å²	126	50.6 Å²	50.6	55%	0.548	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-35	169.3	-177.6	174.2	-179	176.7	0	112	F3 F64 T65	F3-K61 HydrophobicContact CD1-CB 4.49Å; F3-K61 HydrophobicContact CD2-CB 3.7Å; F3-K61 HydrophobicContact CD2-CG 4.09Å; F3-K61 HydrophobicContact CE1-CG 4.49Å; F3-K61 HydrophobicContact CE2-CB 3.87Å; F3-K61 HydrophobicContact CE2-CD 4Å; F3-K61 HydrophobicContact CE2-CG 3.71Å; F3-K61 HydrophobicContact CG-CB 4.01Å; F3-K61 HydrophobicContact CZ-CB 4.34Å; F3-K61 HydrophobicContact CZ-CD 4.5Å; F3-K61 HydrophobicContact CZ-CG 3.92Å; K61-F64 PolarHBondContact O-N 2.9Å; K61-T65 HydrophobicContact CG-CG2 4.37Å; K61-T65 WeakPolarHBondContact O-CG2 3.38Å; K61-T65 PolarHBondContact O-N 2.93Å; K61-T65 PolarHBondContact O-OG1 3.13Å
62	Q	97.6	Very high	97.5	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-46.2	-180	-172.6	60.1	50.1	0	0	111.3	S60 F64 T65 D66	S60-Q62 PolarHBondContact O-N 3.38Å; S60-Q62 PolarHBondContact OG-N 2.83Å; Q62-F64 VanDerWaalsContact C-N 3.31Å; Q62-F64 PolarHBondContact O-N 2.85Å; Q62-T65 WeakPolarHBondContact CA-OG1 3.37Å; Q62-T65 PolarHBondContact O-N 3.07Å; Q62-T65 VanDerWaalsContact O-N 3.08Å; Q62-T65 PolarHBondContact O-OG1 3.12Å; Q62-D66 VanDerWaalsContact NE2-CG 3.35Å; Q62-D66 PolarHBondContact NE2-OD1 3.2Å; Q62-D66 PolarHBondContact NE2-OD2 3.3Å; Q62-D66 VanDerWaalsContact O-CG 3.23Å; Q62-D66 PolarHBondContact O-N 2.86Å
63	A	98	Very high	97.3	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-42.8	177.8	0	0	0	0	0	112.2	W58 S60 D66 W67	W58-A63 HydrophobicContact CE3-CB 4.13Å; S60-A63 PolarHBondContact O-N 2.78Å; S60-A63 PolarHBondContact OG-N 3.4Å; S60-A63 VanDerWaalsContact OG-N 3.13Å; A63-D66 PolarHBondContact O-N 3.32Å; A63-W67 PolarHBondContact O-N 3.42Å
64	F	97.9	Very high	97.1	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-45.5	173.5	166.9	-106.9	0	0	0	112.5	F3 A5 W58 K61 Q62 D66 W67 L68 T98	F3-F64 HydrophobicContact CD1-CB 3.81Å; F3-F64 HydrophobicContact CD1-CD1 4.43Å; F3-F64 HydrophobicContact CD1-CG 4.22Å; F3-F64 HydrophobicContact CE1-CB 3.62Å; F3-F64 AromaticContact CE1-CD1 3.41Å; F3-F64 HydrophobicContact CE1-CD1 3.41Å; F3-F64 VanDerWaalsContact CE1-CD1 3.41Å; F3-F64 HydrophobicContact CE1-CD2 4.38Å; F3-F64 HydrophobicContact CE1-CE1 4.13Å; F3-F64 AromaticContact CE1-CG 3.54Å; F3-F64 HydrophobicContact CE1-CG 3.54Å; F3-F64 AromaticContact CZ-CD1 3.89Å; F3-F64 HydrophobicContact CZ-CD1 3.89Å; F3-F64 HydrophobicContact CZ-CE1 4.36Å; F3-F64 HydrophobicContact CZ-CG 4.46Å; A5-F64 HydrophobicContact CB-CD1 4.3Å; A5-F64 HydrophobicContact CB-CD2 3.62Å; A5-F64 HydrophobicContact CB-CE1 3.97Å; A5-F64 HydrophobicContact CB-CE2 3.22Å; A5-F64 HydrophobicContact CB-CG 4.13Å; A5-F64 HydrophobicContact CB-CZ 3.41Å; A5-F64 VanDerWaalsContact CB-CZ 3.41Å; W58-F64 HydrophobicContact CD2-CB 3.88Å; W58-F64 AromaticContact CE2-CD2 3.78Å; W58-F64 HydrophobicContact CG-CB 3.9Å; W58-F64 AromaticContact CZ2-CD2 3.97Å; W58-F64 HydrophobicContact CZ2-CD2 3.97Å; W58-F64 AromaticContact NE1-CD2 3.55Å; K61-F64 PolarHBondContact O-N 2.9Å; Q62-F64 VanDerWaalsContact C-N 3.31Å; Q62-F64 PolarHBondContact O-N 2.85Å; F64-D66 VanDerWaalsContact C-N 3.26Å; F64-D66 PolarHBondContact O-N 3.36Å; F64-W67 AromaticContact CD2-CE3 3.77Å; F64-W67 HydrophobicContact CD2-CE3 3.77Å; F64-W67 HydrophobicContact CD2-CZ3 4.11Å; F64-W67 AromaticContact CE2-CE3 3.82Å; F64-W67 HydrophobicContact CE2-CE3 3.82Å; F64-W67 AromaticContact CE2-CZ3 3.74Å; F64-W67 HydrophobicContact CE2-CZ3 3.74Å; F64-W67 WeakPolarHBondContact O-CB 3.4Å; F64-W67 PolarHBondContact O-N 3.38Å; F64-L68 HydrophobicContact CD1-CD1 4.29Å; F64-L68 HydrophobicContact CE1-CD1 3.57Å; F64-L68 HydrophobicContact CE1-CG 4.2Å; F64-L68 HydrophobicContact CE2-CD1 4.25Å; F64-L68 HydrophobicContact CE2-CD2 4.08Å; F64-L68 HydrophobicContact CE2-CG 4.05Å; F64-L68 HydrophobicContact CZ-CD1 3.56Å; F64-L68 HydrophobicContact CZ-CD2 4.04Å; F64-L68 HydrophobicContact CZ-CG 3.88Å; F64-L68 PolarHBondContact O-N 3.3Å; F64-T98 HydrophobicContact CE1-CG2 4.44Å
65	T	96.8	Very high	96.8	Very high	33 Å²	33	59.2 Å²	59.2	20%	0.202	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-28.5	-179.6	53.7	0	0	0	0	113	K61 Q62 K69	K61-T65 HydrophobicContact CG-CG2 4.37Å; K61-T65 WeakPolarHBondContact O-CG2 3.38Å; K61-T65 PolarHBondContact O-N 2.93Å; K61-T65 PolarHBondContact O-OG1 3.13Å; Q62-T65 WeakPolarHBondContact CA-OG1 3.37Å; Q62-T65 PolarHBondContact O-N 3.07Å; Q62-T65 VanDerWaalsContact O-N 3.08Å; Q62-T65 PolarHBondContact O-OG1 3.12Å; T65-K69 WeakPolarHBondContact O-CG 3.43Å
66	D	97.2	Very high	96.5	Very high	77 Å²	77	59.2 Å²	59.2	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-73.8	-39.8	174	-66.1	-21.8	0	0	0	110.6	Q62 A63 F64 L68 K69 S70	Q62-D66 VanDerWaalsContact NE2-CG 3.35Å; Q62-D66 PolarHBondContact NE2-OD1 3.2Å; Q62-D66 PolarHBondContact NE2-OD2 3.3Å; Q62-D66 VanDerWaalsContact O-CG 3.23Å; Q62-D66 PolarHBondContact O-N 2.86Å; A63-D66 PolarHBondContact O-N 3.32Å; F64-D66 VanDerWaalsContact C-N 3.26Å; F64-D66 PolarHBondContact O-N 3.36Å; D66-L68 PolarHBondContact O-N 2.92Å; D66-K69 PolarHBondContact O-N 2.96Å; D66-K69 VanDerWaalsContact O-N 3.1Å; D66-S70 PolarHBondContact O-N 2.93Å; D66-S70 VanDerWaalsContact O-N 3.09Å
67	W	97.7	Very high	96.2	Very high	28 Å²	28	62.1 Å²	62.1	11%	0.106	32%	0.32	C	S	.	.	H	α-helix	trans	-55.4	-48.9	170.9	173.9	61.1	0	0	0	112.2	I29 L32 W58 A63 F64 K69 S70 F73	I29-W67 HydrophobicContact CD1-CD2 4.27Å; I29-W67 HydrophobicContact CD1-CH2 4.3Å; I29-W67 HydrophobicContact CD1-CZ2 3.64Å; I29-W67 HydrophobicContact CG1-CZ2 4.39Å; L32-W67 HydrophobicContact CD2-CB 3.38Å; L32-W67 VanDerWaalsContact CD2-CD1 3.48Å; L32-W67 HydrophobicContact CD2-CG 3.79Å; W58-W67 HydrophobicContact CH2-CB 3.57Å; W58-W67 AromaticContact CH2-CD2 3.65Å; W58-W67 HydrophobicContact CH2-CD2 3.65Å; W58-W67 AromaticContact CH2-CE3 3.96Å; W58-W67 HydrophobicContact CH2-CE3 3.96Å; W58-W67 AromaticContact CH2-CG 3.5Å; W58-W67 HydrophobicContact CH2-CG 3.5Å; W58-W67 VanDerWaalsContact CH2-CG 3.5Å; W58-W67 HydrophobicContact CZ2-CB 4.34Å; W58-W67 AromaticContact CZ2-CD2 3.85Å; W58-W67 HydrophobicContact CZ2-CD2 3.85Å; W58-W67 AromaticContact CZ2-CE3 3.67Å; W58-W67 HydrophobicContact CZ2-CE3 3.67Å; W58-W67 HydrophobicContact CZ2-CG 4.17Å; W58-W67 HydrophobicContact CZ2-CZ3 4.26Å; W58-W67 HydrophobicContact CZ3-CB 3.96Å; W58-W67 HydrophobicContact CZ3-CG 4.31Å; A63-W67 PolarHBondContact O-N 3.42Å; F64-W67 AromaticContact CD2-CE3 3.77Å; F64-W67 HydrophobicContact CD2-CE3 3.77Å; F64-W67 HydrophobicContact CD2-CZ3 4.11Å; F64-W67 AromaticContact CE2-CE3 3.82Å; F64-W67 HydrophobicContact CE2-CE3 3.82Å; F64-W67 AromaticContact CE2-CZ3 3.74Å; F64-W67 HydrophobicContact CE2-CZ3 3.74Å; F64-W67 WeakPolarHBondContact O-CB 3.4Å; F64-W67 PolarHBondContact O-N 3.38Å; W67-K69 PolarHBondContact O-N 3.36Å; W67-S70 VanDerWaalsContact O-CB 3.32Å; W67-S70 WeakPolarHBondContact O-CB 3.27Å; W67-S70 PolarHBondContact O-N 2.91Å; W67-S70 PolarHBondContact O-OG 2.86Å; W67-F73 AromaticContact CD2-CD2 3.98Å; W67-F73 HydrophobicContact CD2-CD2 3.98Å; W67-F73 AromaticContact CE2-CD2 3.66Å; W67-F73 HydrophobicContact CE3-CD2 4.08Å; W67-F73 HydrophobicContact CE3-CE2 4.49Å; W67-F73 AromaticContact CH2-CD2 3.66Å; W67-F73 HydrophobicContact CH2-CD2 3.66Å; W67-F73 AromaticContact CH2-CE2 3.75Å; W67-F73 HydrophobicContact CH2-CE2 3.75Å; W67-F73 AromaticContact CZ2-CD2 3.52Å; W67-F73 HydrophobicContact CZ2-CD2 3.52Å; W67-F73 HydrophobicContact CZ2-CE2 4.06Å; W67-F73 AromaticContact CZ3-CD2 3.92Å; W67-F73 HydrophobicContact CZ3-CD2 3.92Å; W67-F73 AromaticContact CZ3-CE2 3.97Å; W67-F73 HydrophobicContact CZ3-CE2 3.97Å; W67-F73 WeakPolarHBondContact O-CB 2.96Å
68	L	96.1	Very high	95.9	Very high	69 Å²	69	67.5 Å²	67.5	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-55.4	-26.1	178.4	-72.2	-179.1	0	0	0	113.8	F64 D66 F73	F64-L68 HydrophobicContact CD1-CD1 4.29Å; F64-L68 HydrophobicContact CE1-CD1 3.57Å; F64-L68 HydrophobicContact CE1-CG 4.2Å; F64-L68 HydrophobicContact CE2-CD1 4.25Å; F64-L68 HydrophobicContact CE2-CD2 4.08Å; F64-L68 HydrophobicContact CE2-CG 4.05Å; F64-L68 HydrophobicContact CZ-CD1 3.56Å; F64-L68 HydrophobicContact CZ-CD2 4.04Å; F64-L68 HydrophobicContact CZ-CG 3.88Å; F64-L68 PolarHBondContact O-N 3.3Å; D66-L68 PolarHBondContact O-N 2.92Å; L68-F73 HydrophobicContact CD2-CD2 3.96Å; L68-F73 HydrophobicContact CD2-CE2 3.51Å; L68-F73 HydrophobicContact CD2-CZ 3.97Å
69	K	95.4	Very high	95.6	Very high	147 Å²	147	74.7 Å²	74.7	64%	0.639	38%	0.375	S	S	*	.	H	α-helix	trans	-95.5	-12.9	-179.6	-62.7	170.8	-171.5	170.8	0	113.3	T65 D66 W67	T65-K69 WeakPolarHBondContact O-CG 3.43Å; D66-K69 PolarHBondContact O-N 2.96Å; D66-K69 VanDerWaalsContact O-N 3.1Å; W67-K69 PolarHBondContact O-N 3.36Å
70	S	95.6	Very high	95.3	Very high	27 Å²	27	71.7 Å²	71.7	19%	0.189	37%	0.366	C	S	.	.	S	Bend	trans	-71	157.1	-174.1	72.5	0	0	0	0	113.1	D66 W67 V72 F73 K74	D66-S70 PolarHBondContact O-N 2.93Å; D66-S70 VanDerWaalsContact O-N 3.09Å; W67-S70 VanDerWaalsContact O-CB 3.32Å; W67-S70 WeakPolarHBondContact O-CB 3.27Å; W67-S70 PolarHBondContact O-N 2.91Å; W67-S70 PolarHBondContact O-OG 2.86Å; S70-V72 PolarHBondContact O-N 3.23Å; S70-F73 PolarHBondContact O-N 2.82Å; S70-F73 PolarHBondContact OG-N 3.14Å; S70-F73 VanDerWaalsContact OG-N 3.15Å; S70-K74 PolarHBondContact O-N 3.17Å
71	D	95.5	Very high	95.1	Very high	118 Å²	118	74.6 Å²	74.6	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-69.1	-25.2	172.6	-65.6	-27.7	0	0	0	112.3	F73 K74 A75	D71-F73 VanDerWaalsContact C-N 3.34Å; D71-F73 PolarHBondContact O-N 2.58Å; D71-K74 PolarHBondContact O-N 3.02Å; D71-K74 IonicContact OD1-NZ 2.79Å; D71-K74 PolarHBondContact OD1-NZ 2.84Å; D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 2.96Å
72	V	94	Very high	94.9	Very high	34 Å²	34	70.1 Å²	70.1	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-47.4	170.1	167.3	0	0	0	0	110.8	H27 G28 L32 S70 A75 A76	H27-V72 WeakPolarHBondContact O-CG1 3.49Å; G28-V72 WeakPolarHBondContact O-CG1 3.4Å; L32-V72 HydrophobicContact CD1-CB 4.18Å; L32-V72 HydrophobicContact CD1-CG1 3.94Å; L32-V72 HydrophobicContact CD1-CG2 4.08Å; S70-V72 PolarHBondContact O-N 3.23Å; V72-A75 PolarHBondContact O-N 3.45Å; V72-A76 PolarHBondContact O-N 3.27Å
73	F	94.9	Very high	94.6	Very high	47 Å²	47	69.6 Å²	69.6	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-45.7	177.1	179.2	-86.3	0	0	0	111.7	W67 L68 S70 D71 A75 A76 H77	W67-F73 AromaticContact CD2-CD2 3.98Å; W67-F73 HydrophobicContact CD2-CD2 3.98Å; W67-F73 AromaticContact CE2-CD2 3.66Å; W67-F73 HydrophobicContact CE3-CD2 4.08Å; W67-F73 HydrophobicContact CE3-CE2 4.49Å; W67-F73 AromaticContact CH2-CD2 3.66Å; W67-F73 HydrophobicContact CH2-CD2 3.66Å; W67-F73 AromaticContact CH2-CE2 3.75Å; W67-F73 HydrophobicContact CH2-CE2 3.75Å; W67-F73 AromaticContact CZ2-CD2 3.52Å; W67-F73 HydrophobicContact CZ2-CD2 3.52Å; W67-F73 HydrophobicContact CZ2-CE2 4.06Å; W67-F73 AromaticContact CZ3-CD2 3.92Å; W67-F73 HydrophobicContact CZ3-CD2 3.92Å; W67-F73 AromaticContact CZ3-CE2 3.97Å; W67-F73 HydrophobicContact CZ3-CE2 3.97Å; W67-F73 WeakPolarHBondContact O-CB 2.96Å; L68-F73 HydrophobicContact CD2-CD2 3.96Å; L68-F73 HydrophobicContact CD2-CE2 3.51Å; L68-F73 HydrophobicContact CD2-CZ 3.97Å; S70-F73 PolarHBondContact O-N 2.82Å; S70-F73 PolarHBondContact OG-N 3.14Å; S70-F73 VanDerWaalsContact OG-N 3.15Å; D71-F73 VanDerWaalsContact C-N 3.34Å; D71-F73 PolarHBondContact O-N 2.58Å; F73-A75 VanDerWaalsContact C-N 3.31Å; F73-A75 PolarHBondContact O-N 2.62Å; F73-A76 PolarHBondContact O-N 2.63Å; F73-H77 AromaticContact CD1-ND1 3.85Å; F73-H77 AromaticContact CD2-CE1 3.54Å; F73-H77 AromaticContact CD2-ND1 3.67Å; F73-H77 AromaticContact CE1-ND1 3.7Å; F73-H77 AromaticContact CE2-CE1 3.16Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.49Å; F73-H77 AromaticContact CE2-ND1 3.53Å; F73-H77 AromaticContact CE2-NE2 3.89Å; F73-H77 AromaticContact CG-ND1 3.83Å; F73-H77 AromaticContact CZ-CE1 3.49Å; F73-H77 VanDerWaalsContact CZ-CE1 3.49Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.24Å; F73-H77 AromaticContact CZ-ND1 3.53Å; F73-H77 AromaticContact CZ-NE2 3.96Å; F73-H77 PolarHBondContact O-N 3.1Å; F73-H77 VanDerWaalsContact O-N 3.1Å; F73-H77 PolarHBondContact O-ND1 2.61Å
74	K	94	Very high	94.4	Very high	120 Å²	120	75.8 Å²	75.8	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-40.8	177.9	-63.2	175.5	-161.9	152.7	0	111.7	S70 D71 H77 K78	S70-K74 PolarHBondContact O-N 3.17Å; D71-K74 PolarHBondContact O-N 3.02Å; D71-K74 IonicContact OD1-NZ 2.79Å; D71-K74 PolarHBondContact OD1-NZ 2.84Å; K74-H77 PolarHBondContact O-N 2.9Å; K74-K78 PolarHBondContact O-N 2.78Å
75	A	92.7	Very high	94.2	Very high	60 Å²	60	81 Å²	81	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-63.1	-46.1	177.7	0	0	0	0	0	111.5	D71 V72 F73 H77 K78	D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 2.96Å; V72-A75 PolarHBondContact O-N 3.45Å; F73-A75 VanDerWaalsContact C-N 3.31Å; F73-A75 PolarHBondContact O-N 2.62Å; A75-H77 VanDerWaalsContact C-N 3.28Å; A75-H77 PolarHBondContact O-N 3.29Å; A75-K78 WeakPolarHBondContact O-CB 3.35Å; A75-K78 PolarHBondContact O-N 3.06Å
76	A	93	Very high	94.1	Very high	32 Å²	32	82.7 Å²	82.7	26%	0.264	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-32.6	178.2	0	0	0	0	0	113.2	H27 V72 F73	H27-A76 HydrophobicContact CB-CB 3.78Å; V72-A76 PolarHBondContact O-N 3.27Å; F73-A76 PolarHBondContact O-N 2.63Å
77	H	92.7	Very high	93.9	Very high	66 Å²	66	87.4 Å²	87.4	31%	0.306	43%	0.434	S	S	.	.	H	α-helix	trans	-99.7	1.1	-177	-63.7	85.9	0	0	0	114.1	F73 K74 A75 H79 V80	F73-H77 AromaticContact CD1-ND1 3.85Å; F73-H77 AromaticContact CD2-CE1 3.54Å; F73-H77 AromaticContact CD2-ND1 3.67Å; F73-H77 AromaticContact CE1-ND1 3.7Å; F73-H77 AromaticContact CE2-CE1 3.16Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.49Å; F73-H77 AromaticContact CE2-ND1 3.53Å; F73-H77 AromaticContact CE2-NE2 3.89Å; F73-H77 AromaticContact CG-ND1 3.83Å; F73-H77 AromaticContact CZ-CE1 3.49Å; F73-H77 VanDerWaalsContact CZ-CE1 3.49Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.24Å; F73-H77 AromaticContact CZ-ND1 3.53Å; F73-H77 AromaticContact CZ-NE2 3.96Å; F73-H77 PolarHBondContact O-N 3.1Å; F73-H77 VanDerWaalsContact O-N 3.1Å; F73-H77 PolarHBondContact O-ND1 2.61Å; K74-H77 PolarHBondContact O-N 2.9Å; A75-H77 VanDerWaalsContact C-N 3.28Å; A75-H77 PolarHBondContact O-N 3.29Å; H77-H79 PolarHBondContact O-N 2.93Å; H77-H79 VanDerWaalsContact O-N 3.13Å; H77-V80 PolarHBondContact O-N 3.49Å; H77-V80 VanDerWaalsContact O-N 3.07Å
78	K	91.8	Very high	93.8	Very high	134 Å²	134	90.7 Å²	90.7	58%	0.583	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.6	-174.7	-175.9	-179.9	177.3	-174.8	0	113.5	K74 A75 R81	K74-K78 PolarHBondContact O-N 2.78Å; A75-K78 WeakPolarHBondContact O-CB 3.35Å; A75-K78 PolarHBondContact O-N 3.06Å; K78-R81 PolarHBondContact O-NH1 2.97Å; K78-R81 PolarHBondContact O-NH2 3.09Å
79	H	91.9	Very high	93.9	Very high	151 Å²	151	88 Å²	88	70%	0.699	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	9.6	-177.2	-61.1	-69.3	0	0	0	113.5	H77	H77-H79 PolarHBondContact O-N 2.93Å; H77-H79 VanDerWaalsContact O-N 3.13Å
80	V	92.6	Very high	94	Very high	58 Å²	58	82.2 Å²	82.2	35%	0.352	43%	0.426	S	S	.	.			trans	-82.2	129	173.4	-179.2	0	0	0	0	107.7	H77 I91	H77-V80 PolarHBondContact O-N 3.49Å; H77-V80 VanDerWaalsContact O-N 3.07Å; V80-I91 HydrophobicContact CG1-CD1 4Å
81	R	93.9	Very high	94.1	Very high	107 Å²	107	81.5 Å²	81.5	40%	0.404	42%	0.42	S	S	.	.			trans	-130.7	139.7	175.2	-64.2	-65.1	179.4	-91.9	-2	108.7	K78 E85 D86 S89	K78-R81 PolarHBondContact O-NH1 2.97Å; K78-R81 PolarHBondContact O-NH2 3.09Å; R81-E85 WeakPolarHBondContact CA-OE2 3.26Å; R81-E85 HydrophobicContact CB-CB 4.34Å; R81-D86 HydrophobicContact CB-CB 3.81Å; R81-D86 HydrophobicContact CG-CB 4.29Å; R81-S89 VanDerWaalsContact O-CB 3.27Å; R81-S89 WeakPolarHBondContact O-CB 3.35Å; R81-S89 PolarHBondContact O-OG 3.01Å
82	S	93.4	Very high	94.2	Very high	31 Å²	31	79.9 Å²	79.9	22%	0.217	41%	0.411	C	S	.	.			trans	-88.7	165.2	168.4	37.1	0	0	0	0	111	N84 E85 D86	S82-N84 WeakPolarHBondContact CB-OD1 3.14Å; S82-N84 PolarHBondContact O-N 3.11Å; S82-N84 VanDerWaalsContact O-N 3.09Å; S82-N84 PolarHBondContact OG-OD1 3.39Å; S82-E85 PolarHBondContact N-OE2 2.58Å; S82-E85 VanDerWaalsContact N-OE2 3.11Å; S82-E85 PolarHBondContact O-N 2.88Å; S82-E85 PolarHBondContact OG-OE2 3.09Å; S82-D86 PolarHBondContact O-N 3.49Å
83	K	91.6	Very high	94.4	Very high	99 Å²	99	82.8 Å²	82.8	43%	0.43	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.4	-175.2	-167.2	169	-172.4	176	0	114.1	D86 I91	K83-D86 WeakPolarHBondContact CA-O 3.33Å; K83-D86 CarbonylContact O-C 3.45Å; K83-I91 VanDerWaalsContact CB-O 3.32Å; K83-I91 WeakPolarHBondContact CB-O 3.48Å; K83-I91 PolarHBondContact N-O 3.03Å
84	N	93.1	Very high	94.5	Very high	140 Å²	140	84.2 Å²	84.2	75%	0.749	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.7	173.6	65.1	-32.2	0	0	0	114.1	S82	S82-N84 WeakPolarHBondContact CB-OD1 3.14Å; S82-N84 PolarHBondContact O-N 3.11Å; S82-N84 VanDerWaalsContact O-N 3.09Å; S82-N84 PolarHBondContact OG-OD1 3.39Å
85	E	94	Very high	94.7	Very high	124 Å²	124	83.9 Å²	83.9	58%	0.579	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-30.4	177.6	-60.8	176.2	125.7	0	0	111.8	R81 S82	R81-E85 WeakPolarHBondContact CA-OE2 3.26Å; R81-E85 HydrophobicContact CB-CB 4.34Å; S82-E85 PolarHBondContact N-OE2 2.58Å; S82-E85 VanDerWaalsContact N-OE2 3.11Å; S82-E85 PolarHBondContact O-N 2.88Å; S82-E85 PolarHBondContact OG-OE2 3.09Å
86	D	95	Very high	94.9	Very high	68 Å²	68	85.1 Å²	85.1	36%	0.364	43%	0.434	S	S	.	.			trans	-146.9	112.4	179.1	-177.8	-15.1	0	0	0	108.8	R81 S82 K83 S88 S89	R81-D86 HydrophobicContact CB-CB 3.81Å; R81-D86 HydrophobicContact CG-CB 4.29Å; S82-D86 PolarHBondContact O-N 3.49Å; K83-D86 WeakPolarHBondContact CA-O 3.33Å; K83-D86 CarbonylContact O-C 3.45Å; D86-S88 PolarHBondContact O-N 3.16Å; D86-S88 VanDerWaalsContact O-N 3.09Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 3.25Å; D86-S88 PolarHBondContact OD1-OG 2.82Å; D86-S88 PolarHBondContact OD2-OG 2.85Å; D86-S89 VanDerWaalsContact O-CB 3.26Å; D86-S89 WeakPolarHBondContact O-CB 3.32Å; D86-S89 PolarHBondContact O-N 3.35Å
87	E	94.3	Very high	95.2	Very high	176 Å²	176	85.7 Å²	85.7	82%	0.822	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24	-177.6	-68.3	-172.5	165.7	0	0	113.3	S89	E87-S89 VanDerWaalsContact C-N 3.27Å; E87-S89 PolarHBondContact O-N 2.82Å
88	S	95.5	Very high	95.5	Very high	97 Å²	97	85.8 Å²	85.8	68%	0.678	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13	177.3	74.9	0	0	0	0	113.4	D86	D86-S88 PolarHBondContact O-N 3.16Å; D86-S88 VanDerWaalsContact O-N 3.09Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 3.25Å; D86-S88 PolarHBondContact OD1-OG 2.82Å; D86-S88 PolarHBondContact OD2-OG 2.85Å
89	S	97	Very high	95.8	Very high	13 Å²	13	83.9 Å²	83.9	9%	0.091	43%	0.428	C	S	.	.			trans	-68.5	133.2	179.9	180	0	0	0	0	111.8	R81 D86 E87 I91	R81-S89 VanDerWaalsContact O-CB 3.27Å; R81-S89 WeakPolarHBondContact O-CB 3.35Å; R81-S89 PolarHBondContact O-OG 3.01Å; D86-S89 VanDerWaalsContact O-CB 3.26Å; D86-S89 WeakPolarHBondContact O-CB 3.32Å; D86-S89 PolarHBondContact O-N 3.35Å; E87-S89 VanDerWaalsContact C-N 3.27Å; E87-S89 PolarHBondContact O-N 2.82Å; S89-I91 PolarHBondContact O-N 3.39Å; S89-I91 PolarHBondContact OG-N 3.42Å; S89-I91 VanDerWaalsContact OG-N 3.16Å
90	P	97.5	Very high	96.1	Very high	24 Å²	24	81.7 Å²	81.7	16%	0.156	42%	0.421	C	S	.	.			trans	-74.9	-7.9	172.8	32.4	-36.3	0	0	0	113.1	L11 T12 T15 I19 I92	L11-P90 CarbonylContact C-O 3.57Å; L11-P90 WeakPolarHBondContact CA-O 3.33Å; T12-P90 PolarHBondContact N-O 2.85Å; T12-P90 PolarHBondContact OG1-O 3.21Å; T15-P90 HydrophobicContact CG2-CB 3.88Å; T15-P90 WeakPolarHBondContact OG1-CB 3.18Å; I19-P90 HydrophobicContact CD1-CG 3.87Å; I19-P90 HydrophobicContact CG1-CG 4.14Å; P90-I92 PolarHBondContact O-N 3.23Å
91	I	98	Very high	96.4	Very high	13 Å²	13	80.3 Å²	80.3	7%	0.067	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	101.1	-175.4	-59	165.7	0	0	0	109.8	L11 I19 V80 K83 S89	L11-I91 HydrophobicContact CD2-CB 4.17Å; L11-I91 HydrophobicContact CD2-CG1 3.67Å; L11-I91 HydrophobicContact CD2-CG2 4.46Å; I19-I91 HydrophobicContact CD1-CD1 4.5Å; I19-I91 HydrophobicContact CD1-CG1 4.4Å; V80-I91 HydrophobicContact CG1-CD1 4Å; K83-I91 VanDerWaalsContact CB-O 3.32Å; K83-I91 WeakPolarHBondContact CB-O 3.48Å; K83-I91 PolarHBondContact N-O 3.03Å; S89-I91 PolarHBondContact O-N 3.39Å; S89-I91 PolarHBondContact OG-N 3.42Å; S89-I91 VanDerWaalsContact OG-N 3.16Å
92	I	97.9	Very high	96.6	Very high	84 Å²	84	78.7 Å²	78.7	43%	0.431	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-45.5	-179.4	-59.4	171.9	0	0	0	110.8	T10 P90	T10-I92 HydrophobicContact CG2-CB 4.13Å; T10-I92 HydrophobicContact CG2-CD1 4.33Å; T10-I92 HydrophobicContact CG2-CG2 4.39Å; T10-I92 WeakPolarHBondContact O-CA 3.24Å; T10-I92 WeakPolarHBondContact O-CB 3.44Å; T10-I92 PolarHBondContact O-N 2.8Å; P90-I92 PolarHBondContact O-N 3.23Å
93	N	96.9	Very high	96.8	Very high	94 Å²	94	86.3 Å²	86.3	50%	0.503	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.8	-178.1	-167.7	16.4	0	0	0	110.8	T10	T10-N93 PolarHBondContact N-O 2.88Å; T10-N93 PolarHBondContact O-N 3.29Å
94	N	97.2	Very high	97	Very high	78 Å²	78	84.9 Å²	84.9	42%	0.417	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.1	167.4	82.3	-64.8	0	0	0	112.2	N7 R8 L9	N7-N94 PolarHBondContact OD1-ND2 2.87Å; R8-N94 CarbonylContact O-C 3.49Å; R8-N94 VanDerWaalsContact O-CA 3.23Å; R8-N94 WeakPolarHBondContact O-CA 3.38Å; L9-N94 HydrophobicContact CD2-CB 3.65Å
95	K	98	Very high	97.2	Very high	113 Å²	113	85.9 Å²	85.9	49%	0.491	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.8	174.3	-173.2	177.5	-179.6	178.2	0	110.1	R8 I97	R8-K95 PolarHBondContact N-O 3.13Å; R8-K95 PolarHBondContact O-N 3.17Å; K95-I97 HydrophobicContact CB-CD1 4.32Å; K95-I97 HydrophobicContact CD-CD1 4.19Å; K95-I97 HydrophobicContact CG-CD1 3.92Å; K95-I97 HydrophobicContact CG-CG1 4.39Å
96	V	97.9	Very high	97.2	Very high	85 Å²	85	87.2 Å²	87.2	52%	0.515	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.5	175.3	-179.5	0	0	0	0	110.2	E6	E6-V96 CarbonylContact O-C 3.6Å; E6-V96 VanDerWaalsContact O-CA 3.27Å; E6-V96 WeakPolarHBondContact O-CA 3.23Å
97	I	98.5	Very high	97.1	Very high	45 Å²	45	95.9 Å²	95.9	23%	0.231	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.6	174.2	-51.6	92.5	0	0	0	108.6	E6 R8 K95 Y99	E6-I97 HydrophobicContact CB-CB 4.46Å; E6-I97 HydrophobicContact CG-CD1 4.38Å; E6-I97 PolarHBondContact N-O 3.26Å; E6-I97 PolarHBondContact O-N 3.19Å; R8-I97 HydrophobicContact CB-CD1 4.28Å; K95-I97 HydrophobicContact CB-CD1 4.32Å; K95-I97 HydrophobicContact CD-CD1 4.19Å; K95-I97 HydrophobicContact CG-CD1 3.92Å; K95-I97 HydrophobicContact CG-CG1 4.39Å; I97-Y99 HydrophobicContact CB-CE2 4.1Å; I97-Y99 WeakPolarHBondContact CB-OH 3.15Å; I97-Y99 HydrophobicContact CG2-CE1 3.95Å; I97-Y99 HydrophobicContact CG2-CE2 3.89Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.44Å; I97-Y99 VanDerWaalsContact CG2-OH 3.24Å; I97-Y99 WeakPolarHBondContact CG2-OH 3.35Å
98	T	98.6	Very high	97.3	Very high	68 Å²	68	91.9 Å²	91.9	42%	0.417	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.9	-176.7	61.5	0	0	0	0	111.6	F3 M4 F64	F3-T98 HydrophobicContact CE1-CG2 4.44Å; F3-T98 HydrophobicContact CE2-CG2 4.28Å; F3-T98 HydrophobicContact CZ-CG2 3.56Å; M4-T98 CarbonylContact O-C 3.59Å; M4-T98 WeakPolarHBondContact O-CA 3.33Å; F64-T98 HydrophobicContact CE1-CG2 4.44Å
99	Y	98.7	Very high	97.4	Very high	94 Å²	94	91.6 Å²	91.6	37%	0.369	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.4	-174.2	-45.3	-97.4	0	0	0	110.9	F3 M4 E6 I97	F3-Y99 WeakPolarHBondContact CD2-O 3.22Å; M4-Y99 HydrophobicContact CB-CD2 4.08Å; M4-Y99 HydrophobicContact CG-CD2 4.29Å; M4-Y99 PolarHBondContact N-O 2.85Å; M4-Y99 PolarHBondContact O-N 3.01Å; M4-Y99 HydrophobicContact SD-CD2 4.38Å; E6-Y99 HydrophobicContact CB-CE2 3.87Å; E6-Y99 PolarHBondContact OE2-OH 2.66Å; E6-Y99 VanDerWaalsContact OE2-OH 3.06Å; I97-Y99 HydrophobicContact CB-CE2 4.1Å; I97-Y99 WeakPolarHBondContact CB-OH 3.15Å; I97-Y99 HydrophobicContact CG2-CE1 3.95Å; I97-Y99 HydrophobicContact CG2-CE2 3.89Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.44Å; I97-Y99 VanDerWaalsContact CG2-OH 3.24Å; I97-Y99 WeakPolarHBondContact CG2-OH 3.35Å
100	D	98.5	Very high	97.4	Very high	105 Å²	105	95.9 Å²	95.9	56%	0.561	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.8	159.4	-73.8	-33.9	0	0	0	108.7	M1 G102	M1-D100 HydrophobicContact CE-CB 4.13Å; M1-D100 WeakPolarHBondContact CE-OD2 3.3Å; M1-D100 HydrophobicContact SD-CB 4.34Å; D100-G102 PolarHBondContact O-N 3.17Å
101	I	98.4	Very high	97.4	Very high	28 Å²	28	100.2 Å²	100.2	14%	0.144	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.3	175.4	-60.6	168.6	0	0	0	107.7	K2 M4 V57 Y103	K2-I101 HydrophobicContact CB-CB 3.9Å; K2-I101 HydrophobicContact CB-CD1 3.97Å; K2-I101 HydrophobicContact CB-CG1 4.45Å; K2-I101 HydrophobicContact CB-CG2 4.36Å; K2-I101 PolarHBondContact O-N 3.25Å; M4-I101 HydrophobicContact CB-CD1 3.98Å; M4-I101 HydrophobicContact CB-CG1 4.03Å; M4-I101 HydrophobicContact CE-CD1 4.28Å; V57-I101 HydrophobicContact CG1-CD1 3.69Å; I101-Y103 WeakPolarHBondContact CG2-O 3.19Å
102	G	97.9	Very high	97.3	Very high	74 Å²	74	105.6 Å²	105.6	76%	0.763	53%	0.533	S	S	*	.	S	Bend	trans	-73	-29.2	177.6	0	0	0	0	0	114.1	D100	D100-G102 PolarHBondContact O-N 3.17Å
103	Y	97.8	Very high	97.3	Very high	191 Å²	191	107.1 Å²	107.1	75%	0.749	54%	0.54	S	S	*	.			trans	-155.6	145.4	177.6	-179.2	-100.8	0	0	0	110.1	I101	I101-Y103 WeakPolarHBondContact CG2-O 3.19Å
104	S	96.6	Very high	97.3	Very high	69 Å²	69	108 Å²	108	48%	0.483	54%	0.543	S	S	.	.			trans	-149.8	133.4	172.6	60.8	0	0	0	0	109.8
105	Y	96.6	Very high	97.3	Very high	161 Å²	161	110.3 Å²	110.3	63%	0.631	55%	0.553	S	S	*	*			trans	-132.7	126.9	172.7	172.5	-102.3	0	0	0	108.9	K107	Y105-K107 HydrophobicContact CE1-CB 4.19Å
106	M	93.6	Very high	97.3	Very high	152 Å²	152	110.1 Å²	110.1	75%	0.749	56%	0.558	S	S	*	*			trans	-117.7	124.1	173	-63.2	-66.4	-71.6	0	0	106.4
107	K	94.4	Very high	97.2	Very high	249 Å²	249	112.4 Å²	112.4	100%	1.083	56%	0.562	S	S	*	*			trans	-67	0	-178.3	-176.4	179.7	176.7	-175.9	0	111.8	Y105	Y105-K107 HydrophobicContact CE1-CB 4.19Å

Retrieved 107 of 107 residues in 31.3 ms (Link to these results)

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