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Ubiquitin-conjugating enzyme E2 A

E2 ubiquitin-conjugating enzyme that accepts ubiquitin from the ubiquitin-activating enzyme E1 and transfers it to a E3 ubiquitin-protein ligase^1,2,3,4,5. In vitro catalyzes 'Lys-11', as well as 'Lys-48'-linked polyubiquitination⁶. Together with the E3 enzyme BRE1 (RNF20 and/or RNF40), plays a role in transcription regulation by catalyzing the monoubiquitination of histone H2B at 'Lys-120' to form H2BK120ub1⁷. H2BK120ub1 gives a specific tag for epigenetic transcriptional activation, elongation by RNA polymerase II, telomeric silencing, and is also a prerequisite for H3K4me and H3K79me formation⁸. Involved in mitophagy by acting as a E2 ubiquitin-conjugating enzyme for PRKN⁹. In association with the E3 enzyme UBR4, is involved in N-end rule-dependent protein degradation¹⁰. In association with the E3 ubiquitin-protein ligase complex SIFI, inhibits the mitochondrial stress response by acting as a E2 ubiquitin-conjugating enzyme for UBR4 and KCMF1¹¹.

AlphaFold DB , UniProt , Accession P49459, Species HUMAN (Homo sapiens, Human), Gene UBE2A, Length 152 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.5	Low	91.4	Very high	236 Å²	236	89.8 Å²	89.8	100%	1.163	43%	0.429	S	S	*	.				0	133.1	0	-79.1	-174.8	-102.1	0	0	108.5
2	S	82.8	Confident	91.9	Very high	76 Å²	76	82.7 Å²	82.7	53%	0.531	40%	0.395	S	S	.	.			trans	-79.5	122.4	178.8	-172.5	0	0	0	0	110	R7	S2-R7 WeakPolarHBondContact OG-CG 3.44Å
3	T	94	Very high	92.2	Very high	38 Å²	38	79.5 Å²	79.5	23%	0.233	38%	0.379	C	S	.	.			trans	-77.5	160.7	-179.4	64.5	0	0	0	0	110.9	A5 R6 R7 E61	T3-A5 VanDerWaalsContact C-N 3.26Å; T3-A5 PolarHBondContact O-N 3.01Å; T3-R6 PolarHBondContact O-N 3.02Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.49Å; T3-R6 PolarHBondContact OG1-N 3.43Å; T3-R7 PolarHBondContact O-N 3.36Å; T3-E61 WeakPolarHBondContact CB-OE2 3.27Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.46Å; T3-E61 PolarHBondContact OG1-OE2 2.82Å
4	P	96	Very high	92.5	Very high	93 Å²	93	82.2 Å²	82.2	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-52.8	-43	172.5	-26.2	35.5	0	0	0	112.9	R7 R8	P4-R7 PolarHBondContact O-N 2.96Å; P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 3.05Å
5	A	96.8	Very high	92.6	Very high	1 Å²	1	86.1 Å²	86.1	1%	0.008	40%	0.397	C	S	.	.	H	α-helix	trans	-60.8	-47.4	177.2	0	0	0	0	0	112.1	T3 R7 R8 L9 M34 Y63	T3-A5 VanDerWaalsContact C-N 3.26Å; T3-A5 PolarHBondContact O-N 3.01Å; A5-R7 PolarHBondContact O-N 3.47Å; A5-R8 WeakPolarHBondContact O-CB 3.49Å; A5-R8 PolarHBondContact O-N 3.22Å; A5-R8 VanDerWaalsContact O-N 3.15Å; A5-L9 WeakPolarHBondContact O-CG 3.2Å; A5-L9 PolarHBondContact O-N 2.86Å; A5-M34 HydrophobicContact CB-CE 4.09Å; A5-Y63 WeakPolarHBondContact CA-O 3.41Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.25Å
6	R	96.1	Very high	92.8	Very high	100 Å²	100	81.2 Å²	81.2	38%	0.377	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-40	178.1	-67.5	175	-172.9	-131.1	-0.2	112.6	T3 R8 L9 M10 I33 M34 E61	T3-R6 PolarHBondContact O-N 3.02Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.49Å; T3-R6 PolarHBondContact OG1-N 3.43Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.01Å; R6-L9 PolarHBondContact O-N 3.31Å; R6-M10 WeakPolarHBondContact O-CG 3.25Å; R6-M10 PolarHBondContact O-N 3.26Å; R6-I33 HydrophobicContact CB-CG2 4.49Å; R6-I33 HydrophobicContact CG-CG2 3.83Å; R6-M34 HydrophobicContact CG-CE 3.7Å; R6-E61 IonicContact CZ-OE1 3.85Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 2.71Å; R6-E61 IonicContact NH2-OE1 3.51Å
7	R	96.5	Very high	92.8	Very high	159 Å²	159	83.8 Å²	83.8	60%	0.6	39%	0.387	S	S	*	.	H	α-helix	trans	-63.1	-39.2	173.6	-72.5	-173.2	-71.9	-171.4	-1.2	111.8	S2 T3 P4 A5 R11	S2-R7 WeakPolarHBondContact OG-CG 3.44Å; T3-R7 PolarHBondContact O-N 3.36Å; P4-R7 PolarHBondContact O-N 2.96Å; A5-R7 PolarHBondContact O-N 3.47Å; R7-R11 PolarHBondContact O-N 3.04Å
8	R	97.5	Very high	92.9	Very high	25 Å²	25	86.7 Å²	86.7	9%	0.094	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-48.9	174	172.2	65.4	-166.5	-96.5	-8.5	111	P4 A5 R6 M10 R11 D12 Y63 P64 P98 Y100	P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 3.05Å; A5-R8 WeakPolarHBondContact O-CB 3.49Å; A5-R8 PolarHBondContact O-N 3.22Å; A5-R8 VanDerWaalsContact O-N 3.15Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.01Å; R8-M10 VanDerWaalsContact C-N 3.34Å; R8-M10 PolarHBondContact O-N 3.02Å; R8-R11 VanDerWaalsContact NE-NH2 3.2Å; R8-R11 WeakPolarHBondContact O-CA 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3Å; R8-D12 IonicContact CZ-OD1 3.55Å; R8-D12 IonicContact CZ-OD2 2.84Å; R8-D12 IonicContact NE-OD1 3.24Å; R8-D12 PolarHBondContact NE-OD1 3.26Å; R8-D12 IonicContact NE-OD2 3.6Å; R8-D12 IonicContact NH2-OD1 2.75Å; R8-D12 IonicContact NH2-OD2 3.54Å; R8-D12 PolarHBondContact NH2-OD2 3.03Å; R8-D12 PolarHBondContact O-N 3.12Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.43Å; R8-Y63 HydrophobicContact CG-CD1 3.79Å; R8-Y63 HydrophobicContact CG-CE1 3.41Å; R8-Y63 VanDerWaalsContact CG-CE1 3.41Å; R8-Y63 PolarHBondContact NH2-OH 3.4Å; R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.28Å; R8-P64 VanDerWaalsContact NH1-CB 3.3Å; R8-P64 VanDerWaalsContact NH1-CG 3.32Å; R8-P98 PolarHBondContact NH1-O 3.21Å; R8-Y100 PolarHBondContact NH2-O 3.11Å
9	L	97.5	Very high	92.9	Very high	0 Å²	0	88.3 Å²	88.3	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-39.3	179.8	-70.9	169.4	0	0	0	113	A5 R6 R11 D12 F13 I33 M34 W36 F59 Y63	A5-L9 WeakPolarHBondContact O-CG 3.2Å; A5-L9 PolarHBondContact O-N 2.86Å; R6-L9 PolarHBondContact O-N 3.31Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 2.95Å; L9-D12 PolarHBondContact O-N 2.94Å; L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.11Å; L9-I33 HydrophobicContact CB-CD1 4.05Å; L9-I33 HydrophobicContact CB-CG1 4.12Å; L9-I33 HydrophobicContact CD1-CG1 4.44Å; L9-M34 HydrophobicContact CD1-SD 3.42Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; L9-W36 HydrophobicContact CB-CZ2 4.36Å; L9-W36 HydrophobicContact CD2-CZ2 4.3Å; L9-F59 HydrophobicContact CD1-CB 4.12Å; L9-F59 HydrophobicContact CD1-CD2 4.32Å; L9-F59 HydrophobicContact CD1-CG 4.11Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 3.85Å; L9-F59 HydrophobicContact CD2-CE1 3.52Å; L9-F59 HydrophobicContact CD2-CE2 3.85Å; L9-F59 HydrophobicContact CD2-CG 3.69Å; L9-F59 HydrophobicContact CD2-CZ 3.69Å; L9-Y63 HydrophobicContact CD2-CD1 3.69Å; L9-Y63 HydrophobicContact CD2-CE1 3.61Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.15Å
10	M	95.6	Very high	92.8	Very high	107 Å²	107	87.8 Å²	87.8	53%	0.527	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-35.3	173.7	-72	-61.5	-62.9	0	0	112.5	R6 R8 K14 I33	R6-M10 WeakPolarHBondContact O-CG 3.25Å; R6-M10 PolarHBondContact O-N 3.26Å; R8-M10 VanDerWaalsContact C-N 3.34Å; R8-M10 PolarHBondContact O-N 3.02Å; M10-K14 WeakPolarHBondContact O-CB 3.43Å; M10-K14 PolarHBondContact O-N 3.16Å; M10-I33 HydrophobicContact CG-CD1 3.64Å; M10-I33 HydrophobicContact SD-CD1 3.43Å; M10-I33 WeakPolarHBondContact SD-CD1 3.32Å
11	R	96.3	Very high	92.9	Very high	153 Å²	153	85.2 Å²	85.2	58%	0.577	41%	0.408	S	S	*	.	H	α-helix	trans	-70	-43.8	175.8	-176.5	-179.5	67.1	-153.4	13	111.3	R7 R8 L9 F13 K14 R15	R7-R11 PolarHBondContact O-N 3.04Å; R8-R11 VanDerWaalsContact NE-NH2 3.2Å; R8-R11 WeakPolarHBondContact O-CA 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 2.95Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.86Å; R11-K14 PolarHBondContact O-N 2.82Å; R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 3.08Å
12	D	96.9	Very high	94.7	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176.8	-73.8	30.8	0	0	0	110.8	R8 L9 R15 L16 Y63 D101 V102	R8-D12 IonicContact CZ-OD1 3.55Å; R8-D12 IonicContact CZ-OD2 2.84Å; R8-D12 IonicContact NE-OD1 3.24Å; R8-D12 PolarHBondContact NE-OD1 3.26Å; R8-D12 IonicContact NE-OD2 3.6Å; R8-D12 IonicContact NH2-OD1 2.75Å; R8-D12 IonicContact NH2-OD2 3.54Å; R8-D12 PolarHBondContact NH2-OD2 3.03Å; R8-D12 PolarHBondContact O-N 3.12Å; L9-D12 PolarHBondContact O-N 2.94Å; D12-R15 PolarHBondContact O-N 2.95Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.86Å; D12-Y63 PolarHBondContact OD2-OH 3.35Å; D12-D101 WeakPolarHBondContact OD2-CA 3.46Å; D12-D101 WeakPolarHBondContact OD2-CB 3.46Å; D12-V102 HydrophobicContact CB-CB 4.47Å; D12-V102 HydrophobicContact CB-CG2 3.95Å; D12-V102 PolarHBondContact OD2-N 3.09Å
13	F	96.5	Very high	95.3	Very high	42 Å²	42	76 Å²	76	18%	0.184	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-48.2	176.1	-176.7	-126.7	0	0	0	111.4	L9 R11 R15 L16 Q17 A27 P28 W36	L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.11Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.86Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 3.21Å; F13-Q17 HydrophobicContact CD2-CG 4.26Å; F13-Q17 HydrophobicContact CE1-CG 4.45Å; F13-Q17 HydrophobicContact CE2-CG 3.94Å; F13-Q17 VanDerWaalsContact CZ-CD 3.43Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.35Å; F13-A27 HydrophobicContact CE2-CB 3.86Å; F13-A27 HydrophobicContact CZ-CB 4.47Å; F13-P28 HydrophobicContact CD1-CG 4.45Å; F13-P28 HydrophobicContact CD2-CG 4.11Å; F13-P28 HydrophobicContact CE2-CG 4.37Å; F13-P28 HydrophobicContact CG-CG 4.13Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CZ3 4.01Å; F13-W36 HydrophobicContact CG-CH2 4.13Å
14	K	95.7	Very high	95.4	Very high	117 Å²	117	74.5 Å²	74.5	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-57.2	-45.1	176.1	-177	176.1	175.1	179.8	0	111.4	M10 R11 Q17 E18	M10-K14 WeakPolarHBondContact O-CB 3.43Å; M10-K14 PolarHBondContact O-N 3.16Å; R11-K14 PolarHBondContact O-N 2.82Å; K14-Q17 PolarHBondContact O-N 2.63Å; K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 HydrophobicContact CG-CG 4.37Å; K14-E18 IonicContact NZ-OE1 3.47Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 WeakPolarHBondContact O-CG 3.38Å; K14-E18 PolarHBondContact O-N 2.92Å
15	R	94.8	Very high	95.4	Very high	141 Å²	141	72.5 Å²	72.5	53%	0.532	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-45.6	178.4	-172.7	179.7	-175.9	175.2	3.6	111.9	R11 D12 F13 Q17 E18 D19 D101	R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact O-N 2.95Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.28Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 2.95Å; R15-E18 PolarHBondContact O-N 3.27Å; R15-D19 PolarHBondContact O-N 3.13Å; R15-D101 VanDerWaalsContact CD-OD2 3.28Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 3.9Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.73Å; R15-D101 IonicContact NH1-OD2 3.14Å; R15-D101 PolarHBondContact NH1-OD2 3.26Å
16	L	94.9	Very high	95.4	Very high	7 Å²	7	73.1 Å²	73.1	4%	0.037	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-31.3	178.9	-175.9	62.1	0	0	0	112.5	D12 F13 P20 G26 W36 V102 S103 L106	D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.86Å; F13-L16 PolarHBondContact O-N 3.21Å; L16-P20 WeakPolarHBondContact O-CA 3.36Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å; L16-G26 WeakPolarHBondContact CD2-O 3.4Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; L16-V102 HydrophobicContact CD2-CG1 4.04Å; L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; L16-L106 HydrophobicContact CD2-CD1 4.41Å
17	Q	93.2	Very high	95.4	Very high	125 Å²	125	70.3 Å²	70.3	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-76.2	-37.7	174.8	-72.4	-170.9	-41.8	0	0	113.4	F13 K14 R15	F13-Q17 HydrophobicContact CD2-CG 4.26Å; F13-Q17 HydrophobicContact CE1-CG 4.45Å; F13-Q17 HydrophobicContact CE2-CG 3.94Å; F13-Q17 VanDerWaalsContact CZ-CD 3.43Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.35Å; K14-Q17 PolarHBondContact O-N 2.63Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 2.95Å
18	E	94.2	Very high	95.5	Very high	136 Å²	136	64.3 Å²	64.3	64%	0.636	34%	0.342	S	S	*	.	H	α-helix	trans	-76.3	-35.1	-178	-73.8	177.7	160.3	0	0	112.5	K14 R15	K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 HydrophobicContact CG-CG 4.37Å; K14-E18 IonicContact NZ-OE1 3.47Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 WeakPolarHBondContact O-CG 3.38Å; K14-E18 PolarHBondContact O-N 2.92Å; R15-E18 PolarHBondContact O-N 3.27Å
19	D	92.6	Very high	95.4	Very high	118 Å²	118	64.5 Å²	64.5	63%	0.631	35%	0.348	S	S	*	.	S	Bend	trans	-140.7	72.7	-177.8	-172.2	29.1	0	0	0	110.4	R15 P21	R15-D19 PolarHBondContact O-N 3.13Å; D19-P21 WeakPolarHBondContact O-CD 3.38Å
20	P	91.3	Very high	95.1	Very high	78 Å²	78	73.6 Å²	73.6	51%	0.506	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-70.2	123.6	-179.5	26.7	-32.1	0	0	0	110.4	L16	L16-P20 WeakPolarHBondContact O-CA 3.36Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å
21	P	94.4	Very high	94.9	Very high	34 Å²	34	76.1 Å²	76.1	22%	0.221	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-62.3	148.9	173.4	-13.5	25.6	0	0	0	111	D19 G23 V24	D19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-G23 PolarHBondContact O-N 3.28Å; P21-V24 HydrophobicContact CB-CG2 3.68Å; P21-V24 HydrophobicContact CG-CG2 3.78Å; P21-V24 PolarHBondContact O-N 3.36Å
22	A	94.5	Very high	94.8	Very high	88 Å²	88	72.1 Å²	72.1	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	130.7	-177	0	0	0	0	0	111.6	V24 Q110	A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.29Å; A22-Q110 PolarHBondContact O-NE2 3.14Å; A22-Q110 PolarHBondContact O-OE1 3.11Å
23	G	95.6	Very high	94.7	Very high	29 Å²	29	73.4 Å²	73.4	30%	0.299	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	8.4	176.4	0	0	0	0	0	115.2	P21 F41 Q110	P21-G23 PolarHBondContact O-N 3.28Å; G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.4Å; G23-Q110 PolarHBondContact O-NE2 2.78Å
24	V	96.5	Very high	94.8	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.042	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.7	172.8	-50	0	0	0	0	111.7	P21 A22 V39 I40 L106 Q110	P21-V24 HydrophobicContact CB-CG2 3.68Å; P21-V24 HydrophobicContact CG-CG2 3.78Å; P21-V24 PolarHBondContact O-N 3.36Å; A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.29Å; V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.37Å; V24-I40 HydrophobicContact CB-CG1 4.44Å; V24-I40 HydrophobicContact CG1-CG1 3.99Å; V24-I40 HydrophobicContact CG1-CG2 4.44Å; V24-L106 HydrophobicContact CB-CB 3.94Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.21Å; V24-L106 HydrophobicContact CG2-CB 4.01Å; V24-L106 HydrophobicContact CG2-CD1 4.48Å; V24-Q110 HydrophobicContact CG1-CB 4.05Å; V24-Q110 HydrophobicContact CG1-CG 4.42Å
25	S	95.8	Very high	94.9	Very high	51 Å²	51	68.6 Å²	68.6	36%	0.357	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.8	175.6	68.5	0	0	0	0	110.8	A38 V39	S25-A38 CarbonylContact O-C 3.38Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.25Å; S25-A38 WeakPolarHBondContact O-CB 3.42Å; S25-V39 PolarHBondContact N-O 3.45Å; S25-V39 PolarHBondContact O-N 3.11Å
26	G	96.7	Very high	95	Very high	15 Å²	15	61.9 Å²	61.9	16%	0.155	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	151.2	175.6	0	0	0	0	0	113	L16 N37	L16-G26 WeakPolarHBondContact CD2-O 3.4Å; G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.43Å
27	A	97.2	Very high	95.2	Very high	41 Å²	41	65.7 Å²	65.7	34%	0.339	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.7	177.5	0	0	0	0	0	111.4	F13 W36 N37	F13-A27 HydrophobicContact CE2-CB 3.86Å; F13-A27 HydrophobicContact CZ-CB 4.47Å; A27-W36 CarbonylContact O-C 3.57Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.47Å; A27-W36 WeakPolarHBondContact O-CB 3.39Å; A27-N37 PolarHBondContact N-O 3.03Å; A27-N37 PolarHBondContact O-N 3.18Å
28	P	97.5	Very high	95.4	Very high	32 Å²	32	59.9 Å²	59.9	21%	0.208	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	148.6	168.9	-9.4	18.5	0	0	0	111.6	F13 I33 W36	F13-P28 HydrophobicContact CD1-CG 4.45Å; F13-P28 HydrophobicContact CD2-CG 4.11Å; F13-P28 HydrophobicContact CE2-CG 4.37Å; F13-P28 HydrophobicContact CG-CG 4.13Å; P28-I33 HydrophobicContact CB-CG1 4.26Å; P28-I33 HydrophobicContact CG-CG1 4.38Å; P28-W36 HydrophobicContact CB-CD2 4.38Å; P28-W36 HydrophobicContact CB-CG 4.35Å; P28-W36 HydrophobicContact CG-CD2 4.11Å; P28-W36 HydrophobicContact CG-CH2 4.49Å; P28-W36 HydrophobicContact CG-CZ2 3.85Å
29	S	95.5	Very high	95.5	Very high	30 Å²	30	55 Å²	55	21%	0.21	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.2	171	-57.3	0	0	0	0	109.9	N31 N32 V35 N37	S29-N31 PolarHBondContact O-N 2.99Å; S29-N32 PolarHBondContact O-N 3.34Å; S29-N32 VanDerWaalsContact O-N 3.1Å; S29-V35 VanDerWaalsContact CB-O 3.27Å; S29-V35 WeakPolarHBondContact CB-O 3.21Å; S29-V35 PolarHBondContact N-O 3.24Å; S29-V35 PolarHBondContact OG-O 3.31Å; S29-N37 PolarHBondContact OG-ND2 2.97Å
30	E	91	Very high	95.8	Very high	191 Å²	191	49.4 Å²	49.4	89%	0.893	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-40.1	-173.1	-64.5	-177.6	169.1	0	0	113.9
31	N	91.3	Very high	96	Very high	159 Å²	159	50.3 Å²	50.3	85%	0.85	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-3.2	-172.8	-61	-42.8	0	0	0	114	S29	S29-N31 PolarHBondContact O-N 2.99Å
32	N	94.4	Very high	96.1	Very high	70 Å²	70	49.2 Å²	49.2	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	104.3	-175.4	-169.9	0	0	0	0	112.7	S29 M34 V35	S29-N32 PolarHBondContact O-N 3.34Å; S29-N32 VanDerWaalsContact O-N 3.1Å; N32-M34 PolarHBondContact O-N 3.27Å; N32-M34 VanDerWaalsContact O-N 3.13Å; N32-M34 WeakPolarHBondContact OD1-CB 3.33Å; N32-M34 PolarHBondContact OD1-N 3.34Å; N32-V35 PolarHBondContact O-N 3.32Å
33	I	95.7	Very high	96.2	Very high	31 Å²	31	46.1 Å²	46.1	16%	0.159	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-19.6	176.6	-163.2	173.5	0	0	0	113.6	R6 L9 M10 P28 V35 W36	R6-I33 HydrophobicContact CB-CG2 4.49Å; R6-I33 HydrophobicContact CG-CG2 3.83Å; L9-I33 HydrophobicContact CB-CD1 4.05Å; L9-I33 HydrophobicContact CB-CG1 4.12Å; L9-I33 HydrophobicContact CD1-CG1 4.44Å; M10-I33 HydrophobicContact CG-CD1 3.64Å; M10-I33 HydrophobicContact SD-CD1 3.43Å; M10-I33 WeakPolarHBondContact SD-CD1 3.32Å; P28-I33 HydrophobicContact CB-CG1 4.26Å; P28-I33 HydrophobicContact CG-CG1 4.38Å; I33-V35 VanDerWaalsContact C-N 3.25Å; I33-V35 PolarHBondContact O-N 2.96Å; I33-W36 PolarHBondContact O-NE1 3.26Å
34	M	97.2	Very high	96.2	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-4	178	-60.7	-57.1	-162.1	0	0	113.2	A5 R6 L9 N32 F59 E61	A5-M34 HydrophobicContact CB-CE 4.09Å; R6-M34 HydrophobicContact CG-CE 3.7Å; L9-M34 HydrophobicContact CD1-SD 3.42Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; N32-M34 PolarHBondContact O-N 3.27Å; N32-M34 VanDerWaalsContact O-N 3.13Å; N32-M34 WeakPolarHBondContact OD1-CB 3.33Å; N32-M34 PolarHBondContact OD1-N 3.34Å; M34-F59 HydrophobicContact CB-CB 4.47Å; M34-F59 WeakPolarHBondContact O-CD2 3.39Å; M34-F59 PolarHBondContact O-N 3.26Å; M34-F59 HydrophobicContact SD-CB 4.05Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.42Å; M34-E61 VanDerWaalsContact CE-OE2 3.24Å; M34-E61 WeakPolarHBondContact CE-OE2 3.39Å
35	V	98.2	Very high	96.1	Very high	41 Å²	41	56.2 Å²	56.2	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.7	177.7	-179.1	0	0	0	0	108.5	S29 N32 I33 I57	S29-V35 VanDerWaalsContact CB-O 3.27Å; S29-V35 WeakPolarHBondContact CB-O 3.21Å; S29-V35 PolarHBondContact N-O 3.24Å; S29-V35 PolarHBondContact OG-O 3.31Å; N32-V35 PolarHBondContact O-N 3.32Å; I33-V35 VanDerWaalsContact C-N 3.25Å; I33-V35 PolarHBondContact O-N 2.96Å; V35-I57 CarbonylContact C-O 3.52Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å
36	W	98.3	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.8	179.9	-70.8	41.4	0	0	0	110.8	L9 F13 L16 A27 P28 I33 T56 I57 F59 V102	L9-W36 HydrophobicContact CB-CZ2 4.36Å; L9-W36 HydrophobicContact CD2-CZ2 4.3Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CZ3 4.01Å; F13-W36 HydrophobicContact CG-CH2 4.13Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; A27-W36 CarbonylContact O-C 3.57Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.47Å; A27-W36 WeakPolarHBondContact O-CB 3.39Å; P28-W36 HydrophobicContact CB-CD2 4.38Å; P28-W36 HydrophobicContact CB-CG 4.35Å; P28-W36 HydrophobicContact CG-CD2 4.11Å; P28-W36 HydrophobicContact CG-CH2 4.49Å; P28-W36 HydrophobicContact CG-CZ2 3.85Å; I33-W36 PolarHBondContact O-NE1 3.26Å; W36-T56 WeakPolarHBondContact O-CA 3.41Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.35Å; W36-I57 PolarHBondContact O-N 3.38Å; W36-F59 HydrophobicContact CB-CE2 4.21Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.42Å; W36-F59 VanDerWaalsContact CD1-CE2 3.42Å; W36-F59 HydrophobicContact CD2-CE2 4.15Å; W36-F59 AromaticContact CG-CE2 3.7Å; W36-F59 HydrophobicContact CG-CE2 3.7Å; W36-F59 AromaticContact NE1-CE2 3.72Å; W36-V102 HydrophobicContact CE3-CG1 4.01Å; W36-V102 HydrophobicContact CE3-CG2 4.41Å; W36-V102 HydrophobicContact CH2-CB 4.49Å; W36-V102 HydrophobicContact CH2-CG2 3.96Å; W36-V102 HydrophobicContact CZ2-CG2 4.45Å; W36-V102 HydrophobicContact CZ3-CB 4.16Å; W36-V102 HydrophobicContact CZ3-CG1 3.8Å; W36-V102 HydrophobicContact CZ3-CG2 3.98Å
37	N	97.6	Very high	96.1	Very high	88 Å²	88	55.5 Å²	55.5	47%	0.471	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.1	166.5	-59.5	-67.8	0	0	0	107.8	G26 A27 S29	G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.43Å; A27-N37 PolarHBondContact N-O 3.03Å; A27-N37 PolarHBondContact O-N 3.18Å; S29-N37 PolarHBondContact OG-ND2 2.97Å
38	A	97.7	Very high	96.1	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.2	178.8	0	0	0	0	0	111.1	S25 K54 L55 I57 L106	S25-A38 CarbonylContact O-C 3.38Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.25Å; S25-A38 WeakPolarHBondContact O-CB 3.42Å; A38-K54 CarbonylContact O-C 2.88Å; A38-K54 WeakPolarHBondContact O-CA 3.43Å; A38-L55 HydrophobicContact CB-CB 4.32Å; A38-L55 PolarHBondContact N-O 3.11Å; A38-L55 PolarHBondContact O-N 3.34Å; A38-I57 HydrophobicContact CB-CD1 4.18Å; A38-L106 HydrophobicContact CB-CD1 4.06Å; A38-L106 HydrophobicContact CB-CD2 3.65Å
39	V	97.3	Very high	96	Very high	34 Å²	34	55.9 Å²	55.9	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.3	176.4	179.6	0	0	0	0	108.4	V24 S25 F41 T52 F53	V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.37Å; S25-V39 PolarHBondContact N-O 3.45Å; S25-V39 PolarHBondContact O-N 3.11Å; V39-F41 HydrophobicContact CG1-CE2 4.41Å; V39-F41 HydrophobicContact CG1-CZ 4.49Å; V39-T52 HydrophobicContact CG1-CG2 3.59Å; V39-F53 WeakPolarHBondContact CA-O 2.75Å
40	I	97.7	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	171	-66.9	174.8	0	0	0	107.8	V24 F53 L55 L106 I109 Q110 L113	V24-I40 HydrophobicContact CB-CG1 4.44Å; V24-I40 HydrophobicContact CG1-CG1 3.99Å; V24-I40 HydrophobicContact CG1-CG2 4.44Å; I40-F53 PolarHBondContact N-O 2.94Å; I40-F53 PolarHBondContact O-N 2.88Å; I40-L55 HydrophobicContact CB-CD1 4.06Å; I40-L55 HydrophobicContact CD1-CD1 3.79Å; I40-L55 HydrophobicContact CD1-CD2 4.05Å; I40-L55 HydrophobicContact CG1-CD1 3.7Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.27Å; I40-I109 HydrophobicContact CD1-CB 3.72Å; I40-I109 HydrophobicContact CD1-CG2 3.5Å; I40-I109 VanDerWaalsContact CD1-CG2 3.5Å; I40-Q110 HydrophobicContact CG2-CB 3.81Å; I40-Q110 HydrophobicContact CG2-CG 3.92Å; I40-L113 HydrophobicContact CG2-CD1 4.11Å
41	F	97	Very high	96.3	Very high	97 Å²	97	51 Å²	51	43%	0.425	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.3	167	-66.4	-80.2	0	0	0	109.3	G23 V39 G51 T52 Q110	G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.4Å; V39-F41 HydrophobicContact CG1-CE2 4.41Å; V39-F41 HydrophobicContact CG1-CZ 4.49Å; F41-G51 VanDerWaalsContact CA-O 3.31Å; F41-G51 WeakPolarHBondContact CA-O 3.26Å; F41-T52 HydrophobicContact CD1-CG2 4.47Å; F41-T52 HydrophobicContact CE1-CG2 3.99Å; F41-Q110 PolarHBondContact O-NE2 3.41Å
42	G	96.7	Very high	96.6	Very high	10 Å²	10	44.7 Å²	44.7	10%	0.103	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59	134.9	174.6	0	0	0	0	0	111.5	F48 G51	G42-F48 WeakPolarHBondContact CA-O 3.35Å; G42-G51 PolarHBondContact N-O 2.88Å
43	P	96.4	Very high	96.8	Very high	24 Å²	24	41.4 Å²	41.4	16%	0.156	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64.7	144	-179.4	-15.8	27.8	0	0	0	112	T46 Q110 D114	P43-T46 HydrophobicContact CB-CG2 3.78Å; P43-T46 HydrophobicContact CG-CG2 4.24Å; P43-T46 WeakPolarHBondContact O-CB 3.36Å; P43-T46 WeakPolarHBondContact O-CG2 3.33Å; P43-T46 PolarHBondContact O-N 3.3Å; P43-T46 PolarHBondContact O-OG1 3.47Å; P43-Q110 HydrophobicContact CG-CG 3.91Å; P43-D114 HydrophobicContact CG-CB 4.49Å
44	E	95.1	Very high	96.9	Very high	176 Å²	176	42.8 Å²	42.8	82%	0.822	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	142	174.1	-68.1	-176.9	-179.3	0	0	111.2	T46	E44-T46 VanDerWaalsContact C-N 3.25Å; E44-T46 PolarHBondContact O-N 2.77Å
45	G	94.3	Very high	96.9	Very high	71 Å²	71	42.1 Å²	42.1	73%	0.732	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	5.9	-179.3	0	0	0	0	0	114.5	E49	G45-E49 PolarHBondContact N-OE2 3.37Å
46	T	95.3	Very high	96.9	Very high	10 Å²	10	41 Å²	41	6%	0.061	23%	0.23	C	C	.	.	S	Bend	trans	-109.8	160.3	177.7	76.9	0	0	0	0	111.2	P43 E44 F48 E49 D114	P43-T46 HydrophobicContact CB-CG2 3.78Å; P43-T46 HydrophobicContact CG-CG2 4.24Å; P43-T46 WeakPolarHBondContact O-CB 3.36Å; P43-T46 WeakPolarHBondContact O-CG2 3.33Å; P43-T46 PolarHBondContact O-N 3.3Å; P43-T46 PolarHBondContact O-OG1 3.47Å; E44-T46 VanDerWaalsContact C-N 3.25Å; E44-T46 PolarHBondContact O-N 2.77Å; T46-F48 PolarHBondContact O-N 3.1Å; T46-F48 PolarHBondContact OG1-N 3.22Å; T46-E49 VanDerWaalsContact O-CB 3.25Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.36Å; T46-E49 PolarHBondContact OG1-N 2.91Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 VanDerWaalsContact CG2-OD1 3.26Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.36Å
47	P	96	Very high	96.9	Very high	42 Å²	42	41 Å²	41	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.3	172.3	-23.9	35.8	0	0	0	114	Y137 E138 V141	P47-Y137 HydrophobicContact CG-CE1 4.39Å; P47-E138 HydrophobicContact CB-CG 4.14Å; P47-E138 HydrophobicContact CG-CG 3.86Å; P47-V141 HydrophobicContact CB-CB 4.07Å; P47-V141 HydrophobicContact CB-CG1 3.92Å; P47-V141 VanDerWaalsContact O-CG1 3.24Å; P47-V141 WeakPolarHBondContact O-CG1 3.37Å
48	F	97.6	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.9	179.2	-67	-83.7	0	0	0	113.5	G42 T46 G51 F53 M76 H78 L113 Y137 V141	G42-F48 WeakPolarHBondContact CA-O 3.35Å; T46-F48 PolarHBondContact O-N 3.1Å; T46-F48 PolarHBondContact OG1-N 3.22Å; F48-G51 WeakPolarHBondContact O-CA 3Å; F48-G51 PolarHBondContact O-N 2.82Å; F48-F53 HydrophobicContact CB-CE2 4.09Å; F48-F53 HydrophobicContact CB-CZ 4.37Å; F48-F53 AromaticContact CD1-CE2 3.95Å; F48-F53 HydrophobicContact CD1-CE2 3.95Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.48Å; F48-M76 HydrophobicContact CD1-CE 4.45Å; F48-M76 HydrophobicContact CE1-CE 4.02Å; F48-H78 AromaticContact CE2-CD2 3.89Å; F48-H78 HydrophobicContact CZ-CB 4.25Å; F48-H78 AromaticContact CZ-CD2 3.71Å; F48-L113 HydrophobicContact CD1-CD2 4.31Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.11Å; F48-L113 HydrophobicContact CE1-CD2 4.21Å; F48-L113 HydrophobicContact CE2-CB 4.42Å; F48-L113 HydrophobicContact CE2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CE2-O 3.47Å; F48-L113 HydrophobicContact CG-CB 4.3Å; F48-L113 HydrophobicContact CZ-CD2 4.32Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.3Å; F48-V141 HydrophobicContact CD1-CG1 3.47Å; F48-V141 VanDerWaalsContact CD1-CG1 3.47Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CG1 3.44Å; F48-V141 VanDerWaalsContact CE1-CG1 3.44Å; F48-V141 HydrophobicContact CE1-CG2 4.29Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CG2 3.93Å
49	E	96.8	Very high	97	Very high	80 Å²	80	41.4 Å²	41.4	37%	0.374	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	144	179	-174.1	171.2	174.1	0	0	111.7	G45 T46 G51 V145	G45-E49 PolarHBondContact N-OE2 3.37Å; T46-E49 VanDerWaalsContact O-CB 3.25Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.36Å; T46-E49 PolarHBondContact OG1-N 2.91Å; E49-G51 PolarHBondContact O-N 3.42Å; E49-V145 WeakPolarHBondContact O-CG1 3.41Å
50	D	95.8	Very high	97	Very high	117 Å²	117	43 Å²	43	63%	0.626	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	-3.5	-172.1	-58.3	-41.5	0	0	0	116.2	W149	D50-W149 HydrophobicContact CB-CZ2 4.24Å; D50-W149 PolarHBondContact O-NE1 2.88Å
51	G	97.1	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.			trans	-68.7	140.3	174	0	0	0	0	0	112.6	F41 G42 F48 E49	F41-G51 VanDerWaalsContact CA-O 3.31Å; F41-G51 WeakPolarHBondContact CA-O 3.26Å; G42-G51 PolarHBondContact N-O 2.88Å; F48-G51 WeakPolarHBondContact O-CA 3Å; F48-G51 PolarHBondContact O-N 2.82Å; E49-G51 PolarHBondContact O-N 3.42Å
52	T	97.2	Very high	97	Very high	28 Å²	28	47.6 Å²	47.6	17%	0.172	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	91.7	176	-56.9	0	0	0	0	109.9	V39 F41 S148	V39-T52 HydrophobicContact CG1-CG2 3.59Å; F41-T52 HydrophobicContact CD1-CG2 4.47Å; F41-T52 HydrophobicContact CE1-CG2 3.99Å; T52-S148 PolarHBondContact N-OG 2.91Å; T52-S148 WeakPolarHBondContact O-CB 3.36Å
53	F	97.9	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.9	-170.9	-52.7	-67.3	0	0	0	111.6	V39 I40 F48 L55 F72 M76 L113 I144 V145	V39-F53 WeakPolarHBondContact CA-O 2.75Å; I40-F53 PolarHBondContact N-O 2.94Å; I40-F53 PolarHBondContact O-N 2.88Å; F48-F53 HydrophobicContact CB-CE2 4.09Å; F48-F53 HydrophobicContact CB-CZ 4.37Å; F48-F53 AromaticContact CD1-CE2 3.95Å; F48-F53 HydrophobicContact CD1-CE2 3.95Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.48Å; F53-L55 VanDerWaalsContact O-CD1 3.3Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; F53-F72 HydrophobicContact CB-CD1 3.96Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.44Å; F53-M76 HydrophobicContact CB-SD 4.31Å; F53-M76 HydrophobicContact CD1-CE 4.13Å; F53-M76 HydrophobicContact CD1-SD 3.43Å; F53-M76 WeakPolarHBondContact CD1-SD 3.4Å; F53-M76 HydrophobicContact CE1-CE 4.36Å; F53-M76 HydrophobicContact CE1-SD 3.94Å; F53-M76 HydrophobicContact CG-CE 4.23Å; F53-M76 HydrophobicContact CG-SD 3.92Å; F53-L113 HydrophobicContact CD2-CD1 4.16Å; F53-L113 HydrophobicContact CE2-CD1 4.32Å; F53-I144 HydrophobicContact CE1-CG2 4.08Å; F53-V145 HydrophobicContact CZ-CG2 4.04Å
54	K	97.7	Very high	97.1	Very high	61 Å²	61	47.4 Å²	47.4	27%	0.265	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.8	178.1	-61.4	-178.8	-179.3	-173	0	110.5	A38 V73 S74 D151	A38-K54 CarbonylContact O-C 2.88Å; A38-K54 WeakPolarHBondContact O-CA 3.43Å; K54-V73 HydrophobicContact CB-CB 4.14Å; K54-V73 PolarHBondContact O-N 3.4Å; K54-S74 PolarHBondContact N-OG 2.61Å; K54-S74 PolarHBondContact O-N 2.92Å; K54-D151 PolarHBondContact NZ-O 2.82Å
55	L	98.3	Very high	97.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.5	178	-54.2	92.8	0	0	0	110.9	A38 I40 F53 V70 R71 F72 I87 I109	A38-L55 HydrophobicContact CB-CB 4.32Å; A38-L55 PolarHBondContact N-O 3.11Å; A38-L55 PolarHBondContact O-N 3.34Å; I40-L55 HydrophobicContact CB-CD1 4.06Å; I40-L55 HydrophobicContact CD1-CD1 3.79Å; I40-L55 HydrophobicContact CD1-CD2 4.05Å; I40-L55 HydrophobicContact CG1-CD1 3.7Å; F53-L55 VanDerWaalsContact O-CD1 3.3Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; L55-V70 HydrophobicContact CD2-CG1 3.92Å; L55-R71 CarbonylContact C-O 3.56Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 3.28Å; L55-R71 WeakPolarHBondContact CB-O 3.44Å; L55-F72 HydrophobicContact CD1-CD1 4.22Å; L55-F72 HydrophobicContact CD1-CE1 3.98Å; L55-F72 HydrophobicContact CD2-CD1 3.9Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.68Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.27Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CD1 3.65Å; L55-F72 HydrophobicContact CG-CE1 3.75Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; L55-I87 HydrophobicContact CD2-CD1 4.06Å; L55-I109 HydrophobicContact CD2-CD1 4.26Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å
56	T	97.9	Very high	97.4	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.5	165	29.8	0	0	0	0	109.7	W36 R71 V73	W36-T56 WeakPolarHBondContact O-CA 3.41Å; T56-R71 PolarHBondContact N-O 3.2Å; T56-R71 PolarHBondContact O-N 3.21Å; T56-R71 WeakPolarHBondContact OG1-CG 3.35Å; T56-R71 PolarHBondContact OG1-NE 2.92Å; T56-R71 VanDerWaalsContact OG1-NE 3.12Å; T56-V73 HydrophobicContact CG2-CG2 3.96Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.34Å
57	I	98.6	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.8	175.6	-48.3	172.6	0	0	0	108.3	V35 W36 A38 F59 P68 T69 V70 V102 L106	V35-I57 CarbonylContact C-O 3.52Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.35Å; W36-I57 PolarHBondContact O-N 3.38Å; A38-I57 HydrophobicContact CB-CD1 4.18Å; I57-F59 HydrophobicContact CB-CE2 3.98Å; I57-F59 HydrophobicContact CB-CZ 4.21Å; I57-F59 HydrophobicContact CG2-CD2 4.19Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å; I57-F59 HydrophobicContact CG2-CE2 3.46Å; I57-F59 VanDerWaalsContact CG2-CE2 3.46Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; I57-P68 HydrophobicContact CG2-CB 3.53Å; I57-P68 HydrophobicContact CG2-CG 3.84Å; I57-T69 WeakPolarHBondContact CA-O 3.48Å; I57-V70 HydrophobicContact CG1-CG1 4.18Å; I57-V70 HydrophobicContact CG1-CG2 4.35Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; I57-V102 HydrophobicContact CD1-CG1 4.02Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å
58	E	98.4	Very high	97.6	Very high	87 Å²	87	45.9 Å²	45.9	41%	0.407	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.1	-179.3	-66.3	-179.6	-146.4	0	0	110.2	P68 T69	E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.25Å; E58-P68 WeakPolarHBondContact O-CA 3.47Å; E58-P68 VanDerWaalsContact O-CB 3.28Å; E58-P68 WeakPolarHBondContact O-CB 3.46Å; E58-T69 PolarHBondContact N-O 3.28Å; E58-T69 PolarHBondContact O-N 2.95Å
59	F	98.3	Very high	97.6	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	26%	0.259	C	S	.	.			trans	-102.8	155.2	179.8	-57.8	-89.7	0	0	0	110.9	L9 M34 W36 I57 Y63 P68 V102	L9-F59 HydrophobicContact CD1-CB 4.12Å; L9-F59 HydrophobicContact CD1-CD2 4.32Å; L9-F59 HydrophobicContact CD1-CG 4.11Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 3.85Å; L9-F59 HydrophobicContact CD2-CE1 3.52Å; L9-F59 HydrophobicContact CD2-CE2 3.85Å; L9-F59 HydrophobicContact CD2-CG 3.69Å; L9-F59 HydrophobicContact CD2-CZ 3.69Å; M34-F59 HydrophobicContact CB-CB 4.47Å; M34-F59 WeakPolarHBondContact O-CD2 3.39Å; M34-F59 PolarHBondContact O-N 3.26Å; M34-F59 HydrophobicContact SD-CB 4.05Å; W36-F59 HydrophobicContact CB-CE2 4.21Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.42Å; W36-F59 VanDerWaalsContact CD1-CE2 3.42Å; W36-F59 HydrophobicContact CD2-CE2 4.15Å; W36-F59 AromaticContact CG-CE2 3.7Å; W36-F59 HydrophobicContact CG-CE2 3.7Å; W36-F59 AromaticContact NE1-CE2 3.72Å; I57-F59 HydrophobicContact CB-CE2 3.98Å; I57-F59 HydrophobicContact CB-CZ 4.21Å; I57-F59 HydrophobicContact CG2-CD2 4.19Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å; I57-F59 HydrophobicContact CG2-CE2 3.46Å; I57-F59 VanDerWaalsContact CG2-CE2 3.46Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; F59-Y63 HydrophobicContact CD1-CD1 4.06Å; F59-Y63 AromaticContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 HydrophobicContact CD1-CE2 4.05Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.48Å; F59-Y63 HydrophobicContact CE1-CD2 4.14Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CG 4.43Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.31Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; F59-V102 HydrophobicContact CE1-CG2 4.28Å; F59-V102 HydrophobicContact CZ-CG2 3.77Å
60	T	97.6	Very high	97.7	Very high	69 Å²	69	46.6 Å²	46.6	42%	0.423	24%	0.243	S	C	.	.			trans	-113.8	168.9	169	71.5	0	0	0	0	110.2	E62 Y63	T60-E62 PolarHBondContact O-N 2.74Å; T60-E62 PolarHBondContact OG1-N 2.84Å; T60-Y63 WeakPolarHBondContact O-CB 3.42Å; T60-Y63 PolarHBondContact O-N 3.46Å
61	E	97.4	Very high	97.8	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7	173.7	-65.9	-71	176.8	0	0	113	T3 R6 M34 Y63	T3-E61 WeakPolarHBondContact CB-OE2 3.27Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.46Å; T3-E61 PolarHBondContact OG1-OE2 2.82Å; R6-E61 IonicContact CZ-OE1 3.85Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 2.71Å; R6-E61 IonicContact NH2-OE1 3.51Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.42Å; M34-E61 VanDerWaalsContact CE-OE2 3.24Å; M34-E61 WeakPolarHBondContact CE-OE2 3.39Å; E61-Y63 VanDerWaalsContact C-N 3.34Å
62	E	97.4	Very high	97.8	Very high	97 Å²	97	46.7 Å²	46.7	45%	0.453	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.5	173.2	-59.5	-178.2	-95.8	0	0	112.9	T60 N65 K66	T60-E62 PolarHBondContact O-N 2.74Å; T60-E62 PolarHBondContact OG1-N 2.84Å; E62-N65 WeakPolarHBondContact O-CA 3.25Å; E62-N65 VanDerWaalsContact O-CB 3.28Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.24Å; E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.18Å; E62-K66 HydrophobicContact CB-CG 4.1Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CD 3.41Å; E62-K66 WeakPolarHBondContact OE1-CE 3.4Å; E62-K66 IonicContact OE1-NZ 2.76Å; E62-K66 PolarHBondContact OE1-NZ 3.2Å; E62-K66 WeakPolarHBondContact OE2-CD 3.4Å; E62-K66 WeakPolarHBondContact OE2-CE 3.37Å; E62-K66 IonicContact OE2-NZ 2.82Å; E62-K66 PolarHBondContact OE2-NZ 3.49Å
63	Y	98	Very high	97.8	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.4	175.8	-175.1	-106.1	0	0	0	111.1	A5 R8 L9 D12 F59 T60 E61 W96 Y100	A5-Y63 WeakPolarHBondContact CA-O 3.41Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.25Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.43Å; R8-Y63 HydrophobicContact CG-CD1 3.79Å; R8-Y63 HydrophobicContact CG-CE1 3.41Å; R8-Y63 VanDerWaalsContact CG-CE1 3.41Å; R8-Y63 PolarHBondContact NH2-OH 3.4Å; L9-Y63 HydrophobicContact CD2-CD1 3.69Å; L9-Y63 HydrophobicContact CD2-CE1 3.61Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.15Å; D12-Y63 PolarHBondContact OD2-OH 3.35Å; F59-Y63 HydrophobicContact CD1-CD1 4.06Å; F59-Y63 AromaticContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 HydrophobicContact CD1-CE2 4.05Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.48Å; F59-Y63 HydrophobicContact CE1-CD2 4.14Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CG 4.43Å; T60-Y63 WeakPolarHBondContact O-CB 3.42Å; T60-Y63 PolarHBondContact O-N 3.46Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-W96 HydrophobicContact CD2-CZ2 4.25Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.74Å; Y63-W96 HydrophobicContact CE2-CZ2 3.74Å; Y63-Y100 PolarHBondContact OH-O 2.97Å
64	P	97.4	Very high	97.7	Very high	25 Å²	25	49.6 Å²	49.6	16%	0.162	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.4	10	8.6	40.2	-38.9	0	0	0	115.2	R8 K66 W96 P98	R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.28Å; R8-P64 VanDerWaalsContact NH1-CB 3.3Å; R8-P64 VanDerWaalsContact NH1-CG 3.32Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 2.99Å; P64-W96 HydrophobicContact CB-CZ2 4.45Å; P64-W96 WeakPolarHBondContact O-CZ2 3.39Å; P64-W96 PolarHBondContact O-NE1 2.81Å; P64-P98 HydrophobicContact CB-CB 4.13Å; P64-P98 HydrophobicContact CG-CB 4.06Å; P64-P98 WeakPolarHBondContact O-CA 3.35Å; P64-P98 WeakPolarHBondContact O-CB 3.32Å
65	N	97.2	Very high	97.7	Very high	124 Å²	124	53 Å²	53	66%	0.663	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.9	-180	-60.9	-34.5	0	0	0	111.9	E62	E62-N65 WeakPolarHBondContact O-CA 3.25Å; E62-N65 VanDerWaalsContact O-CB 3.28Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.24Å
66	K	96.9	Very high	97.6	Very high	101 Å²	101	54 Å²	54	44%	0.439	27%	0.273	S	S	.	.	S	Bend	trans	-108.9	146.1	167.5	-71.7	-169.1	-178	160.7	0	111.6	E62 P64	E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.18Å; E62-K66 HydrophobicContact CB-CG 4.1Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CD 3.41Å; E62-K66 WeakPolarHBondContact OE1-CE 3.4Å; E62-K66 IonicContact OE1-NZ 2.76Å; E62-K66 PolarHBondContact OE1-NZ 3.2Å; E62-K66 WeakPolarHBondContact OE2-CD 3.4Å; E62-K66 WeakPolarHBondContact OE2-CE 3.37Å; E62-K66 IonicContact OE2-NZ 2.82Å; E62-K66 PolarHBondContact OE2-NZ 3.49Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 2.99Å
67	P	97.8	Very high	97.6	Very high	38 Å²	38	54.2 Å²	54.2	25%	0.247	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.2	174.4	27.4	-32.3	0	0	0	110.4	L92 W96	P67-L92 WeakPolarHBondContact CG-O 3.27Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.73Å; P67-W96 HydrophobicContact CB-CZ3 4.28Å; P67-W96 HydrophobicContact CG-CB 4.14Å; P67-W96 HydrophobicContact CG-CD2 4.29Å; P67-W96 HydrophobicContact CG-CG 3.98Å
68	P	98.2	Very high	97.5	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.026	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.4	159.3	163.5	31.8	-33.1	0	0	0	111.3	I57 E58 F59 V70 I105	I57-P68 HydrophobicContact CG2-CB 3.53Å; I57-P68 HydrophobicContact CG2-CG 3.84Å; E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.25Å; E58-P68 WeakPolarHBondContact O-CA 3.47Å; E58-P68 VanDerWaalsContact O-CB 3.28Å; E58-P68 WeakPolarHBondContact O-CB 3.46Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.31Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; P68-V70 HydrophobicContact CG-CG2 4.42Å; P68-I105 HydrophobicContact CG-CD1 3.71Å
69	T	98	Very high	97.5	Very high	91 Å²	91	50.1 Å²	50.1	56%	0.558	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.8	165.3	-56.4	0	0	0	0	108.5	I57 E58	I57-T69 WeakPolarHBondContact CA-O 3.48Å; E58-T69 PolarHBondContact N-O 3.28Å; E58-T69 PolarHBondContact O-N 2.95Å
70	V	98.3	Very high	97.4	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.3	177.8	-169.3	0	0	0	0	109.6	L55 I57 P68 I87 L92 I105 I109	L55-V70 HydrophobicContact CD2-CG1 3.92Å; I57-V70 HydrophobicContact CG1-CG1 4.18Å; I57-V70 HydrophobicContact CG1-CG2 4.35Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; P68-V70 HydrophobicContact CG-CG2 4.42Å; V70-I87 HydrophobicContact CB-CD1 4.28Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; V70-L92 HydrophobicContact CB-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD1 3.84Å; V70-L92 HydrophobicContact CG2-CD2 4.05Å; V70-I105 HydrophobicContact CG2-CG2 4.05Å; V70-I109 HydrophobicContact CB-CD1 4.32Å; V70-I109 HydrophobicContact CG1-CD1 3.7Å; V70-I109 HydrophobicContact CG2-CD1 4.45Å
71	R	98	Very high	97.4	Very high	111 Å²	111	46.5 Å²	46.5	42%	0.419	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.1	174.9	67.6	-176.2	-155.6	161.4	8.6	111.6	L55 T56 G85	L55-R71 CarbonylContact C-O 3.56Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 3.28Å; L55-R71 WeakPolarHBondContact CB-O 3.44Å; T56-R71 PolarHBondContact N-O 3.2Å; T56-R71 PolarHBondContact O-N 3.21Å; T56-R71 WeakPolarHBondContact OG1-CG 3.35Å; T56-R71 PolarHBondContact OG1-NE 2.92Å; T56-R71 VanDerWaalsContact OG1-NE 3.12Å; R71-G85 CarbonylContact C-O 3.59Å; R71-G85 VanDerWaalsContact CA-O 3.25Å; R71-G85 WeakPolarHBondContact CA-O 3.34Å
72	F	98.1	Very high	97.3	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133	165.8	-75	-82.5	0	0	0	110.3	F53 L55 M76 V81 G85 I87 I109 L113	F53-F72 HydrophobicContact CB-CD1 3.96Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.44Å; L55-F72 HydrophobicContact CD1-CD1 4.22Å; L55-F72 HydrophobicContact CD1-CE1 3.98Å; L55-F72 HydrophobicContact CD2-CD1 3.9Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.68Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.27Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CD1 3.65Å; L55-F72 HydrophobicContact CG-CE1 3.75Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; F72-M76 HydrophobicContact CB-CG 3.55Å; F72-M76 HydrophobicContact CD1-CE 4.3Å; F72-M76 HydrophobicContact CD1-CG 3.73Å; F72-M76 HydrophobicContact CD1-SD 3.78Å; F72-M76 HydrophobicContact CD2-CG 3.71Å; F72-M76 HydrophobicContact CE1-CE 3.96Å; F72-M76 HydrophobicContact CE1-CG 4.33Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.3Å; F72-M76 HydrophobicContact CE2-CG 4.3Å; F72-M76 HydrophobicContact CG-CG 3.38Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 3.96Å; F72-V81 HydrophobicContact CD2-CG1 3.87Å; F72-V81 HydrophobicContact CD2-CG2 3.98Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.76Å; F72-G85 PolarHBondContact N-O 3.24Å; F72-I87 HydrophobicContact CD2-CD1 3.77Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.83Å; F72-I87 HydrophobicContact CZ-CD1 4.36Å; F72-I109 HydrophobicContact CE2-CG2 4.13Å; F72-I109 HydrophobicContact CZ-CG2 3.75Å; F72-L113 HydrophobicContact CZ-CD2 4.49Å
73	V	97.2	Very high	97.2	Very high	84 Å²	84	48 Å²	48	51%	0.509	25%	0.254	S	S	.	.	S	Bend	trans	-86.8	-40.6	167.5	178.9	0	0	0	0	109.3	K54 T56	K54-V73 HydrophobicContact CB-CB 4.14Å; K54-V73 PolarHBondContact O-N 3.4Å; T56-V73 HydrophobicContact CG2-CG2 3.96Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.34Å
74	S	96.4	Very high	97.1	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.035	28%	0.28	C	S	.	.	S	Bend	trans	-62.6	145.8	170.4	-62.7	0	0	0	0	110.2	K54 M76	K54-S74 PolarHBondContact N-OG 2.61Å; K54-S74 PolarHBondContact O-N 2.92Å; S74-M76 PolarHBondContact O-N 3.44Å
75	K	96.1	Very high	97.1	Very high	131 Å²	131	52 Å²	52	57%	0.57	28%	0.276	S	S	*	.			trans	-60.6	137.8	171.1	-170.7	-179.9	-179.5	-177.9	0	109.1	I144	K75-I144 HydrophobicContact CB-CD1 4.35Å; K75-I144 HydrophobicContact CD-CD1 3.76Å; K75-I144 HydrophobicContact CG-CD1 3.88Å; K75-I144 WeakPolarHBondContact O-CG2 3.44Å
76	M	97.4	Very high	97.1	Very high	25 Å²	25	47.7 Å²	47.7	12%	0.123	26%	0.256	C	S	.	.			trans	-125.8	150.4	179.9	-67.5	-56	-71.7	0	0	112.4	F48 F53 F72 S74 V81 L113	F48-M76 HydrophobicContact CD1-CE 4.45Å; F48-M76 HydrophobicContact CE1-CE 4.02Å; F53-M76 HydrophobicContact CB-SD 4.31Å; F53-M76 HydrophobicContact CD1-CE 4.13Å; F53-M76 HydrophobicContact CD1-SD 3.43Å; F53-M76 WeakPolarHBondContact CD1-SD 3.4Å; F53-M76 HydrophobicContact CE1-CE 4.36Å; F53-M76 HydrophobicContact CE1-SD 3.94Å; F53-M76 HydrophobicContact CG-CE 4.23Å; F53-M76 HydrophobicContact CG-SD 3.92Å; F72-M76 HydrophobicContact CB-CG 3.55Å; F72-M76 HydrophobicContact CD1-CE 4.3Å; F72-M76 HydrophobicContact CD1-CG 3.73Å; F72-M76 HydrophobicContact CD1-SD 3.78Å; F72-M76 HydrophobicContact CD2-CG 3.71Å; F72-M76 HydrophobicContact CE1-CE 3.96Å; F72-M76 HydrophobicContact CE1-CG 4.33Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.3Å; F72-M76 HydrophobicContact CE2-CG 4.3Å; F72-M76 HydrophobicContact CG-CG 3.38Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 3.96Å; S74-M76 PolarHBondContact O-N 3.44Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.73Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; M76-L113 HydrophobicContact CE-CD2 3.78Å
77	F	97.2	Very high	97	Very high	19 Å²	19	43.5 Å²	43.5	8%	0.083	24%	0.239	C	C	.	.			trans	-131.5	87.7	168	-169.4	-104.4	0	0	0	109.4	Q125 A126 L129 Y137 R140 V141 I144	F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.36Å; F77-A126 HydrophobicContact CD1-CB 4.25Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.87Å; F77-A126 HydrophobicContact CE2-CB 4Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 VanDerWaalsContact CZ-CA 3.49Å; F77-A126 HydrophobicContact CZ-CB 3.72Å; F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.13Å; F77-Y137 AromaticContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CE2 4.09Å; F77-R140 HydrophobicContact CD1-CB 3.72Å; F77-R140 HydrophobicContact CE1-CB 3.82Å; F77-R140 HydrophobicContact CE1-CG 4.45Å; F77-R140 HydrophobicContact CG-CB 4.33Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; F77-I144 HydrophobicContact CB-CG1 3.83Å
78	H	97.4	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.			trans	-144.7	140.7	-174.4	-175.3	-93.3	0	0	0	110.7	F48 N80 V81 L112 N123	F48-H78 AromaticContact CE2-CD2 3.89Å; F48-H78 HydrophobicContact CZ-CB 4.25Å; F48-H78 AromaticContact CZ-CD2 3.71Å; H78-N80 PolarHBondContact CE1-OD1 3.3Å; H78-N80 PolarHBondContact ND1-N 3.05Å; H78-N80 PolarHBondContact O-N 3.26Å; H78-N80 VanDerWaalsContact O-N 3.11Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.8Å; H78-V81 PolarHBondContact O-N 3.46Å; H78-V81 VanDerWaalsContact O-N 3.1Å; H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 VanDerWaalsContact CE1-O 3.24Å; H78-L112 PolarHBondContact NE2-O 3.27Å; H78-N123 WeakPolarHBondContact O-CB 3.26Å
79	P	96.8	Very high	96.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.013	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33	-178.9	-30.3	37.8	0	0	0	114.7	P116 P121 A122 N123 A126 A127	P79-P116 HydrophobicContact CB-CB 4.1Å; P79-P116 HydrophobicContact CG-CB 3.81Å; P79-P116 HydrophobicContact CG-CG 4.3Å; P79-P121 CarbonylContact O-C 3.59Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P79-A122 PolarHBondContact O-N 2.96Å; P79-N123 PolarHBondContact O-N 3.02Å; P79-A126 HydrophobicContact CG-CB 4.24Å; P79-A127 HydrophobicContact CB-CB 4.09Å
80	N	96.8	Very high	96.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14.4	-177.8	-53.3	102.6	0	0	0	114.5	H78 C88 L112 P116 N117	H78-N80 PolarHBondContact CE1-OD1 3.3Å; H78-N80 PolarHBondContact ND1-N 3.05Å; H78-N80 PolarHBondContact O-N 3.26Å; H78-N80 VanDerWaalsContact O-N 3.11Å; N80-C88 PolarHBondContact O-N 3.42Å; N80-L112 HydrophobicContact CB-CD1 4.08Å; N80-L112 HydrophobicContact CB-CD2 3.97Å; N80-L112 HydrophobicContact CB-CG 4.32Å; N80-P116 WeakPolarHBondContact OD1-CA 3.44Å; N80-N117 PolarHBondContact ND2-O 2.81Å; N80-N117 PolarHBondContact OD1-N 3.01Å
81	V	97.3	Very high	96.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-118.5	126.4	176	-177.2	0	0	0	0	109.9	F72 M76 H78 N123	F72-V81 HydrophobicContact CD2-CG1 3.87Å; F72-V81 HydrophobicContact CD2-CG2 3.98Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.76Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.73Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.8Å; H78-V81 PolarHBondContact O-N 3.46Å; H78-V81 VanDerWaalsContact O-N 3.1Å; V81-N123 WeakPolarHBondContact O-CB 3.48Å
82	Y	96.5	Very high	96	Very high	109 Å²	109	37.9 Å²	37.9	43%	0.427	21%	0.213	S	C	.	.			trans	-73.2	163.8	176.9	-71.3	-80.7	0	0	0	111.7	D84 G85 S86 C88 A122	Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 3.44Å; Y82-G85 PolarHBondContact O-N 2.97Å; Y82-S86 WeakPolarHBondContact CD2-O 3.13Å; Y82-S86 PolarHBondContact N-O 2.98Å; Y82-C88 HydrophobicContact CE2-CB 4.04Å; Y82-A122 HydrophobicContact CD1-CB 3.8Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.7Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.78Å
83	A	94.7	Very high	95.7	Very high	114 Å²	114	42.3 Å²	42.3	94%	0.942	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23	-179.6	0	0	0	0	0	114	G85	A83-G85 VanDerWaalsContact C-N 3.31Å
84	D	96	Very high	95.4	Very high	107 Å²	107	44.7 Å²	44.7	57%	0.572	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.1	175.4	70.8	-20.3	0	0	0	113.3	Y82 S86	Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 3.44Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 2.82Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; D84-S86 PolarHBondContact OD2-OG 2.9Å
85	G	97.1	Very high	95.3	Very high	7 Å²	7	52.2 Å²	52.2	7%	0.072	27%	0.271	C	S	.	.	S	Bend	trans	88.6	-6	-177.5	0	0	0	0	0	114.7	R71 F72 Y82 A83	R71-G85 CarbonylContact C-O 3.59Å; R71-G85 VanDerWaalsContact CA-O 3.25Å; R71-G85 WeakPolarHBondContact CA-O 3.34Å; F72-G85 PolarHBondContact N-O 3.24Å; Y82-G85 PolarHBondContact O-N 2.97Å; A83-G85 VanDerWaalsContact C-N 3.31Å
86	S	96.8	Very high	95.4	Very high	35 Å²	35	47.6 Å²	47.6	25%	0.245	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-61.9	143.8	176.9	-63.7	0	0	0	0	111.1	Y82 D84	Y82-S86 WeakPolarHBondContact CD2-O 3.13Å; Y82-S86 PolarHBondContact N-O 2.98Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 2.82Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; D84-S86 PolarHBondContact OD2-OG 2.9Å
87	I	96.1	Very high	95.4	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.067	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-108.4	127.3	-173.2	-53.1	173.5	0	0	0	110.3	L55 V70 F72 L89 I109 L112	L55-I87 HydrophobicContact CD2-CD1 4.06Å; V70-I87 HydrophobicContact CB-CD1 4.28Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; F72-I87 HydrophobicContact CD2-CD1 3.77Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.83Å; F72-I87 HydrophobicContact CZ-CD1 4.36Å; I87-L89 HydrophobicContact CG2-CB 4Å; I87-L89 PolarHBondContact O-N 3Å; I87-I109 HydrophobicContact CD1-CD1 3.81Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å
88	C	94.1	Very high	95.4	Very high	30 Å²	30	50 Å²	50	20%	0.203	27%	0.27	C	S	.	.			trans	-88.5	88.7	170.5	-168.8	0	0	0	0	109.7	N80 Y82 A122	N80-C88 PolarHBondContact O-N 3.42Å; Y82-C88 HydrophobicContact CE2-CB 4.04Å; C88-A122 HydrophobicContact CB-CB 4.05Å
89	L	93.5	Very high	95.4	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.094	30%	0.302	C	S	.	.			trans	-129.9	127.7	177.3	-178.8	64.5	0	0	0	109.4	I87 I91 L92 I109 L112	I87-L89 HydrophobicContact CG2-CB 4Å; I87-L89 PolarHBondContact O-N 3Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.48Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 3.57Å; L89-I91 HydrophobicContact CG-CG1 3.7Å; L89-I91 PolarHBondContact O-N 3.47Å; L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.32Å; L89-L92 HydrophobicContact CD2-CG 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.21Å; L89-L92 PolarHBondContact O-N 2.99Å; L89-I109 HydrophobicContact CD2-CG1 3.97Å; L89-L112 HydrophobicContact CB-CD2 4.44Å; L89-L112 HydrophobicContact CD1-CD2 4.31Å
90	D	91.9	Very high	95.4	Very high	50 Å²	50	58.4 Å²	58.4	27%	0.267	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-63	-35.2	-171.9	62.7	-13.3	0	0	0	113.1	L92 Q93 N94 R95	D90-L92 PolarHBondContact O-N 3.5Å; D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 WeakPolarHBondContact O-CA 3.42Å; D90-Q93 PolarHBondContact O-N 3.33Å; D90-N94 PolarHBondContact O-N 3.08Å; D90-R95 HydrophobicContact CB-CB 4.36Å; D90-R95 HydrophobicContact CB-CG 4.17Å; D90-R95 WeakPolarHBondContact O-CB 3.4Å; D90-R95 PolarHBondContact O-N 2.9Å; D90-R95 VanDerWaalsContact OD2-CD 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.35Å; D90-R95 IonicContact OD2-CZ 3.3Å; D90-R95 IonicContact OD2-NE 3.55Å; D90-R95 IonicContact OD2-NH1 3.51Å; D90-R95 PolarHBondContact OD2-NH1 2.87Å
91	I	94.2	Very high	95.4	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.067	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.3	-23.6	175.1	69.9	158.7	0	0	0	112.4	L89 W96 Y100 S108	L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.48Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 3.57Å; L89-I91 HydrophobicContact CG-CG1 3.7Å; L89-I91 PolarHBondContact O-N 3.47Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 VanDerWaalsContact O-CB 3.26Å; I91-W96 WeakPolarHBondContact O-CB 3.33Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.47Å; I91-Y100 HydrophobicContact CB-CE2 4Å; I91-Y100 HydrophobicContact CG2-CE2 4.11Å; I91-S108 WeakPolarHBondContact CD1-OG 3.22Å
92	L	94.3	Very high	95.4	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.11	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-85.6	1.9	173.1	-63.7	177.8	0	0	0	112.5	P67 V70 L89 D90 I105	P67-L92 WeakPolarHBondContact CG-O 3.27Å; V70-L92 HydrophobicContact CB-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD1 3.84Å; V70-L92 HydrophobicContact CG2-CD2 4.05Å; L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.32Å; L89-L92 HydrophobicContact CD2-CG 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.21Å; L89-L92 PolarHBondContact O-N 2.99Å; D90-L92 PolarHBondContact O-N 3.5Å; L92-I105 HydrophobicContact CD2-CG1 4.47Å; L92-I105 HydrophobicContact CD2-CG2 4.11Å
93	Q	91.8	Very high	95.4	Very high	101 Å²	101	54 Å²	54	47%	0.472	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-114.5	-175.5	-60.1	178.4	22.5	0	0	110.1	D90 R95 W96	D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 WeakPolarHBondContact O-CA 3.42Å; D90-Q93 PolarHBondContact O-N 3.33Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 2.84Å; Q93-W96 PolarHBondContact O-N 2.88Å
94	N	91.6	Very high	95.4	Very high	133 Å²	133	50 Å²	50	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.1	-172.7	61.3	-51.1	0	0	0	114	D90	D90-N94 PolarHBondContact O-N 3.08Å
95	R	94.8	Very high	95.5	Very high	163 Å²	163	44.9 Å²	44.9	62%	0.615	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	13.7	174.8	-61.8	-157.8	-179.4	160.9	-15	113.5	D90 Q93 S97	D90-R95 HydrophobicContact CB-CB 4.36Å; D90-R95 HydrophobicContact CB-CG 4.17Å; D90-R95 WeakPolarHBondContact O-CB 3.4Å; D90-R95 PolarHBondContact O-N 2.9Å; D90-R95 VanDerWaalsContact OD2-CD 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.35Å; D90-R95 IonicContact OD2-CZ 3.3Å; D90-R95 IonicContact OD2-NE 3.55Å; D90-R95 IonicContact OD2-NH1 3.51Å; D90-R95 PolarHBondContact OD2-NH1 2.87Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 2.84Å; R95-S97 PolarHBondContact O-N 2.88Å
96	W	97.3	Very high	95.5	Very high	35 Å²	35	44.6 Å²	44.6	13%	0.133	23%	0.233	C	C	.	.			trans	-59.5	138.6	174.3	176.5	-107	0	0	0	111.5	Y63 P64 P67 I91 Q93 Y100 I105	Y63-W96 HydrophobicContact CD2-CZ2 4.25Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.74Å; Y63-W96 HydrophobicContact CE2-CZ2 3.74Å; P64-W96 HydrophobicContact CB-CZ2 4.45Å; P64-W96 WeakPolarHBondContact O-CZ2 3.39Å; P64-W96 PolarHBondContact O-NE1 2.81Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.73Å; P67-W96 HydrophobicContact CB-CZ3 4.28Å; P67-W96 HydrophobicContact CG-CB 4.14Å; P67-W96 HydrophobicContact CG-CD2 4.29Å; P67-W96 HydrophobicContact CG-CG 3.98Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 VanDerWaalsContact O-CB 3.26Å; I91-W96 WeakPolarHBondContact O-CB 3.33Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.47Å; Q93-W96 PolarHBondContact O-N 2.88Å; W96-Y100 AromaticContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.06Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.12Å
97	S	97.3	Very high	95.5	Very high	36 Å²	36	45.2 Å²	45.2	25%	0.252	24%	0.236	S	C	.	.			trans	-133.9	138	171.9	173.6	0	0	0	0	109.1	R95 T99 Y100	R95-S97 PolarHBondContact O-N 2.88Å; S97-T99 WeakPolarHBondContact CB-OG1 3.43Å; S97-T99 PolarHBondContact O-N 2.96Å; S97-T99 PolarHBondContact OG-N 3.1Å; S97-T99 PolarHBondContact OG-OG1 3.02Å; S97-Y100 VanDerWaalsContact O-CD2 3.27Å; S97-Y100 WeakPolarHBondContact O-CD2 3.42Å; S97-Y100 PolarHBondContact O-N 3.2Å
98	P	97	Very high	95.5	Very high	57 Å²	57	46.3 Å²	46.3	37%	0.37	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.6	174.3	-23.4	33.8	0	0	0	114.8	R8 P64 Y100	R8-P98 PolarHBondContact NH1-O 3.21Å; P64-P98 HydrophobicContact CB-CB 4.13Å; P64-P98 HydrophobicContact CG-CB 4.06Å; P64-P98 WeakPolarHBondContact O-CA 3.35Å; P64-P98 WeakPolarHBondContact O-CB 3.32Å; P98-Y100 VanDerWaalsContact C-N 3.33Å
99	T	96.9	Very high	95.7	Very high	111 Å²	111	45 Å²	45	68%	0.681	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.6	173.4	57.4	0	0	0	0	113	S97	S97-T99 WeakPolarHBondContact CB-OG1 3.43Å; S97-T99 PolarHBondContact O-N 2.96Å; S97-T99 PolarHBondContact OG-N 3.1Å; S97-T99 PolarHBondContact OG-OG1 3.02Å
100	Y	97.4	Very high	95.8	Very high	68 Å²	68	45.5 Å²	45.5	27%	0.267	24%	0.238	S	C	.	.			trans	-69.7	138.6	175.5	-64.4	-60.8	0	0	0	110.6	R8 Y63 I91 W96 S97 P98 S104	R8-Y100 PolarHBondContact NH2-O 3.11Å; Y63-Y100 PolarHBondContact OH-O 2.97Å; I91-Y100 HydrophobicContact CB-CE2 4Å; I91-Y100 HydrophobicContact CG2-CE2 4.11Å; W96-Y100 AromaticContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.06Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; S97-Y100 VanDerWaalsContact O-CD2 3.27Å; S97-Y100 WeakPolarHBondContact O-CD2 3.42Å; S97-Y100 PolarHBondContact O-N 3.2Å; P98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-S104 WeakPolarHBondContact CA-OG 3.27Å
101	D	96	Very high	96	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.053	25%	0.247	C	C	.	.			trans	-117.7	175.9	172.3	60.5	17.9	0	0	0	111.2	D12 R15 S103 S104 I105	D12-D101 WeakPolarHBondContact OD2-CA 3.46Å; D12-D101 WeakPolarHBondContact OD2-CB 3.46Å; R15-D101 VanDerWaalsContact CD-OD2 3.28Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 3.9Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.73Å; R15-D101 IonicContact NH1-OD2 3.14Å; R15-D101 PolarHBondContact NH1-OD2 3.26Å; D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 PolarHBondContact OD1-N 3.28Å; D101-S104 PolarHBondContact N-OG 2.78Å; D101-S104 PolarHBondContact O-N 2.66Å; D101-S104 PolarHBondContact O-OG 3.38Å; D101-S104 WeakPolarHBondContact OD1-CB 3.47Å; D101-S104 PolarHBondContact OD1-N 3.46Å; D101-S104 PolarHBondContact OD1-OG 3.31Å; D101-S104 VanDerWaalsContact OD1-OG 3.1Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 3.01Å
102	V	97.4	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.6	-41.7	-179.9	-177.7	0	0	0	0	112.3	D12 L16 W36 I57 F59 S104 I105 L106	D12-V102 HydrophobicContact CB-CB 4.47Å; D12-V102 HydrophobicContact CB-CG2 3.95Å; D12-V102 PolarHBondContact OD2-N 3.09Å; L16-V102 HydrophobicContact CD2-CG1 4.04Å; W36-V102 HydrophobicContact CE3-CG1 4.01Å; W36-V102 HydrophobicContact CE3-CG2 4.41Å; W36-V102 HydrophobicContact CH2-CB 4.49Å; W36-V102 HydrophobicContact CH2-CG2 3.96Å; W36-V102 HydrophobicContact CZ2-CG2 4.45Å; W36-V102 HydrophobicContact CZ3-CB 4.16Å; W36-V102 HydrophobicContact CZ3-CG1 3.8Å; W36-V102 HydrophobicContact CZ3-CG2 3.98Å; I57-V102 HydrophobicContact CD1-CG1 4.02Å; F59-V102 HydrophobicContact CE1-CG2 4.28Å; F59-V102 HydrophobicContact CZ-CG2 3.77Å; V102-S104 PolarHBondContact O-N 3.35Å; V102-I105 PolarHBondContact O-N 3.31Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.19Å; V102-L106 PolarHBondContact O-N 3.1Å
103	S	96.5	Very high	96.1	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-48.6	177.8	-57.4	0	0	0	0	111.8	L16 D101 I105 L106 T107	L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 PolarHBondContact OD1-N 3.28Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.27Å; S103-L106 PolarHBondContact O-N 2.79Å; S103-T107 WeakPolarHBondContact O-CB 3.25Å; S103-T107 PolarHBondContact O-N 3.45Å; S103-T107 PolarHBondContact O-OG1 3.41Å
104	S	96.2	Very high	96.1	Very high	31 Å²	31	44.9 Å²	44.9	22%	0.217	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-35	179	65.3	0	0	0	0	113	Y100 D101 V102 S108	Y100-S104 WeakPolarHBondContact CA-OG 3.27Å; D101-S104 PolarHBondContact N-OG 2.78Å; D101-S104 PolarHBondContact O-N 2.66Å; D101-S104 PolarHBondContact O-OG 3.38Å; D101-S104 WeakPolarHBondContact OD1-CB 3.47Å; D101-S104 PolarHBondContact OD1-N 3.46Å; D101-S104 PolarHBondContact OD1-OG 3.31Å; D101-S104 VanDerWaalsContact OD1-OG 3.1Å; V102-S104 PolarHBondContact O-N 3.35Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.28Å
105	I	97.4	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-51.9	175	-68.3	164.6	0	0	0	110.1	P68 V70 L92 W96 D101 V102 S103 T107 S108 I109	P68-I105 HydrophobicContact CG-CD1 3.71Å; V70-I105 HydrophobicContact CG2-CG2 4.05Å; L92-I105 HydrophobicContact CD2-CG1 4.47Å; L92-I105 HydrophobicContact CD2-CG2 4.11Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.12Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 3.01Å; V102-I105 PolarHBondContact O-N 3.31Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.27Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 2.92Å; I105-S108 PolarHBondContact O-N 3.2Å; I105-I109 HydrophobicContact CG2-CD1 3.85Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.99Å
106	L	97.7	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-41.9	-178.5	-69	177.3	0	0	0	112	L16 V24 A38 I40 I57 V102 S103 S108 I109 Q110	L16-L106 HydrophobicContact CD2-CD1 4.41Å; V24-L106 HydrophobicContact CB-CB 3.94Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.21Å; V24-L106 HydrophobicContact CG2-CB 4.01Å; V24-L106 HydrophobicContact CG2-CD1 4.48Å; A38-L106 HydrophobicContact CB-CD1 4.06Å; A38-L106 HydrophobicContact CB-CD2 3.65Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.27Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.19Å; V102-L106 PolarHBondContact O-N 3.1Å; S103-L106 PolarHBondContact O-N 2.79Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.86Å; L106-I109 PolarHBondContact O-N 3.37Å; L106-Q110 PolarHBondContact O-N 2.76Å
107	T	96.4	Very high	95	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-63	-41.2	176.7	-49.2	0	0	0	0	111	S103 I105 I109 Q110 S111	S103-T107 WeakPolarHBondContact O-CB 3.25Å; S103-T107 PolarHBondContact O-N 3.45Å; S103-T107 PolarHBondContact O-OG1 3.41Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 2.92Å; T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.36Å; T107-Q110 WeakPolarHBondContact O-CB 3.39Å; T107-Q110 PolarHBondContact O-N 3.3Å; T107-S111 PolarHBondContact O-N 2.71Å; T107-S111 PolarHBondContact O-OG 2.98Å
108	S	96.4	Very high	93.9	Very high	37 Å²	37	42 Å²	42	26%	0.259	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-36.5	177.4	-56.9	0	0	0	0	112.4	I91 S104 I105 L106 L112	I91-S108 WeakPolarHBondContact CD1-OG 3.22Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.28Å; I105-S108 PolarHBondContact O-N 3.2Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.86Å; S108-L112 WeakPolarHBondContact O-CB 3.4Å; S108-L112 PolarHBondContact O-N 3.05Å
109	I	97.1	Very high	92.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-37.7	174.5	-64.5	164.3	0	0	0	110.7	I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113	I40-I109 HydrophobicContact CD1-CB 3.72Å; I40-I109 HydrophobicContact CD1-CG2 3.5Å; I40-I109 VanDerWaalsContact CD1-CG2 3.5Å; L55-I109 HydrophobicContact CD2-CD1 4.26Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å; V70-I109 HydrophobicContact CB-CD1 4.32Å; V70-I109 HydrophobicContact CG1-CD1 3.7Å; V70-I109 HydrophobicContact CG2-CD1 4.45Å; F72-I109 HydrophobicContact CE2-CG2 4.13Å; F72-I109 HydrophobicContact CZ-CG2 3.75Å; I87-I109 HydrophobicContact CD1-CD1 3.81Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; L89-I109 HydrophobicContact CD2-CG1 3.97Å; I105-I109 HydrophobicContact CG2-CD1 3.85Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.99Å; L106-I109 PolarHBondContact O-N 3.37Å; T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.36Å; I109-L112 WeakPolarHBondContact O-CB 3.26Å; I109-L112 PolarHBondContact O-N 2.86Å; I109-L113 PolarHBondContact O-N 3.03Å
110	Q	97	Very high	91.9	Very high	30 Å²	30	44.8 Å²	44.8	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175	-176.8	-176.1	49.6	0	0	111.2	A22 G23 V24 I40 F41 P43 L106 T107 L112 L113	A22-Q110 PolarHBondContact O-NE2 3.14Å; A22-Q110 PolarHBondContact O-OE1 3.11Å; G23-Q110 PolarHBondContact O-NE2 2.78Å; V24-Q110 HydrophobicContact CG1-CB 4.05Å; V24-Q110 HydrophobicContact CG1-CG 4.42Å; I40-Q110 HydrophobicContact CG2-CB 3.81Å; I40-Q110 HydrophobicContact CG2-CG 3.92Å; F41-Q110 PolarHBondContact O-NE2 3.41Å; P43-Q110 HydrophobicContact CG-CG 3.91Å; L106-Q110 PolarHBondContact O-N 2.76Å; T107-Q110 WeakPolarHBondContact O-CB 3.39Å; T107-Q110 PolarHBondContact O-N 3.3Å; Q110-L112 VanDerWaalsContact C-N 3.25Å; Q110-L112 PolarHBondContact O-N 3.28Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.86Å; Q110-L113 VanDerWaalsContact O-N 3.11Å
111	S	95.1	Very high	91.4	Very high	65 Å²	65	43.9 Å²	43.9	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-33.9	174.7	-59.2	0	0	0	0	112.7	T107 L113 D114 E115	T107-S111 PolarHBondContact O-N 2.71Å; T107-S111 PolarHBondContact O-OG 2.98Å; S111-L113 PolarHBondContact O-N 2.95Å; S111-D114 PolarHBondContact O-N 2.84Å; S111-D114 VanDerWaalsContact O-N 3.11Å; S111-E115 PolarHBondContact O-N 2.92Å
112	L	95	Very high	91.3	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-27.8	176.5	-178.8	64.9	0	0	0	112.7	H78 N80 I87 L89 S108 I109 Q110 D114 E115	H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 VanDerWaalsContact CE1-O 3.24Å; H78-L112 PolarHBondContact NE2-O 3.27Å; N80-L112 HydrophobicContact CB-CD1 4.08Å; N80-L112 HydrophobicContact CB-CD2 3.97Å; N80-L112 HydrophobicContact CB-CG 4.32Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; L89-L112 HydrophobicContact CB-CD2 4.44Å; L89-L112 HydrophobicContact CD1-CD2 4.31Å; S108-L112 WeakPolarHBondContact O-CB 3.4Å; S108-L112 PolarHBondContact O-N 3.05Å; I109-L112 WeakPolarHBondContact O-CB 3.26Å; I109-L112 PolarHBondContact O-N 2.86Å; Q110-L112 VanDerWaalsContact C-N 3.25Å; Q110-L112 PolarHBondContact O-N 3.28Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-E115 CarbonylContact O-C 3.4Å
113	L	95.2	Very high	91.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-30.9	176.1	-63.2	178.3	0	0	0	112.7	I40 F48 F53 F72 M76 I109 Q110 S111	I40-L113 HydrophobicContact CG2-CD1 4.11Å; F48-L113 HydrophobicContact CD1-CD2 4.31Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.11Å; F48-L113 HydrophobicContact CE1-CD2 4.21Å; F48-L113 HydrophobicContact CE2-CB 4.42Å; F48-L113 HydrophobicContact CE2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CE2-O 3.47Å; F48-L113 HydrophobicContact CG-CB 4.3Å; F48-L113 HydrophobicContact CZ-CD2 4.32Å; F53-L113 HydrophobicContact CD2-CD1 4.16Å; F53-L113 HydrophobicContact CE2-CD1 4.32Å; F72-L113 HydrophobicContact CZ-CD2 4.49Å; M76-L113 HydrophobicContact CE-CD2 3.78Å; I109-L113 PolarHBondContact O-N 3.03Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.86Å; Q110-L113 VanDerWaalsContact O-N 3.11Å; S111-L113 PolarHBondContact O-N 2.95Å
114	D	91.6	Very high	91	Very high	87 Å²	87	49.3 Å²	49.3	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-84.1	-41.3	177.5	-172.9	25.5	0	0	0	111.5	P43 T46 S111 L112 P116	P43-D114 HydrophobicContact CG-CB 4.49Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 VanDerWaalsContact CG2-OD1 3.26Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.36Å; S111-D114 PolarHBondContact O-N 2.84Å; S111-D114 VanDerWaalsContact O-N 3.11Å; L112-D114 VanDerWaalsContact C-N 3.32Å; D114-P116 WeakPolarHBondContact O-CD 3.48Å
115	E	90.3	Very high	91	Very high	147 Å²	147	52.5 Å²	52.5	69%	0.687	31%	0.305	S	S	*	.	S	Bend	trans	-117.6	80.5	-177.2	-62	-174.5	168	0	0	112	S111 L112 N117	S111-E115 PolarHBondContact O-N 2.92Å; L112-E115 CarbonylContact O-C 3.4Å; E115-N117 PolarHBondContact O-N 3.1Å
116	P	88.4	Confident	90.9	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.104	31%	0.305	C	S	.	.			trans	-60.6	136.9	176	-18.4	26.9	0	0	0	111.5	P79 N80 D114 P118 Y130	P79-P116 HydrophobicContact CB-CB 4.1Å; P79-P116 HydrophobicContact CG-CB 3.81Å; P79-P116 HydrophobicContact CG-CG 4.3Å; N80-P116 WeakPolarHBondContact OD1-CA 3.44Å; D114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-P118 VanDerWaalsContact O-CD 3.27Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å; P116-Y130 HydrophobicContact CG-CE1 4.36Å; P116-Y130 HydrophobicContact CG-CE2 4.14Å
117	N	83.6	Confident	90.8	Very high	72 Å²	72	52.8 Å²	52.8	39%	0.385	31%	0.308	S	S	.	.			trans	-83	112.9	173.7	-178.1	-10.6	0	0	0	110.5	N80 E115 N119	N80-N117 PolarHBondContact ND2-O 2.81Å; N80-N117 PolarHBondContact OD1-N 3.01Å; E115-N117 PolarHBondContact O-N 3.1Å; N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.12Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.9Å
118	P	74.1	Confident	90.7	Very high	73 Å²	73	55.4 Å²	55.4	47%	0.474	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.2	-175.8	32.7	-36	0	0	0	113.7	P116 S120	P116-P118 VanDerWaalsContact O-CD 3.27Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 2.77Å
119	N	74.2	Confident	90.6	Very high	138 Å²	138	54.9 Å²	54.9	74%	0.738	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.5	-164	-70.6	-33.3	0	0	0	115.2	N117	N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.12Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.9Å
120	S	77.3	Confident	90.5	Very high	88 Å²	88	59 Å²	59	62%	0.615	33%	0.327	S	S	*	.	S	Bend	trans	-170.5	87.1	169.6	-79	0	0	0	0	108.5	P118 A122	P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 2.77Å; S120-A122 PolarHBondContact O-N 2.99Å
121	P	86.5	Confident	90.2	Very high	49 Å²	49	63.7 Å²	63.7	32%	0.318	35%	0.349	S	S	.	.			trans	-72	130.1	-174.5	29.4	-34.2	0	0	0	111	P79 A127	P79-P121 CarbonylContact O-C 3.59Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P121-A127 HydrophobicContact CB-CB 3.39Å; P121-A127 HydrophobicContact CG-CB 3.72Å
122	A	93	Very high	90.2	Very high	18 Å²	18	67.3 Å²	67.3	15%	0.149	36%	0.359	C	S	.	.	S	Bend	trans	-66.2	-28.8	167.4	0	0	0	0	0	111.7	P79 Y82 C88 S120	P79-A122 PolarHBondContact O-N 2.96Å; Y82-A122 HydrophobicContact CD1-CB 3.8Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.7Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.78Å; C88-A122 HydrophobicContact CB-CB 4.05Å; S120-A122 PolarHBondContact O-N 2.99Å
123	N	95.4	Very high	90.2	Very high	31 Å²	31	70.3 Å²	70.3	17%	0.166	38%	0.375	C	S	.	.			trans	-124.2	94.6	176.5	-175.7	-21.7	0	0	0	110	H78 P79 V81 Q125 A126 A127	H78-N123 WeakPolarHBondContact O-CB 3.26Å; P79-N123 PolarHBondContact O-N 3.02Å; V81-N123 WeakPolarHBondContact O-CB 3.48Å; N123-Q125 PolarHBondContact O-N 2.74Å; N123-Q125 PolarHBondContact OD1-N 3.21Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact OD1-N 2.99Å; N123-A127 PolarHBondContact O-N 2.79Å
124	S	93.9	Very high	90.2	Very high	85 Å²	85	75.7 Å²	75.7	59%	0.594	40%	0.398	S	S	*	.	H	α-helix	trans	-59.4	-34.1	-178.8	-48.3	0	0	0	0	112.8	A127 Q128	S124-A127 PolarHBondContact O-N 3.5Å; S124-Q128 WeakPolarHBondContact O-CB 3.25Å; S124-Q128 PolarHBondContact O-N 2.84Å
125	Q	95.1	Very high	90.4	Very high	98 Å²	98	81.6 Å²	81.6	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-68.3	-44.5	178.1	-175.7	177.7	32.9	0	0	111.3	F77 N123 A127 Q128 L129	F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.36Å; N123-Q125 PolarHBondContact O-N 2.74Å; N123-Q125 PolarHBondContact OD1-N 3.21Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-Q128 PolarHBondContact O-N 3.3Å; Q125-L129 HydrophobicContact CG-CD1 4.43Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.4Å
126	A	95.9	Very high	90.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-41.8	176	0	0	0	0	0	111.2	F77 P79 N123 L129 Y130 Y137	F77-A126 HydrophobicContact CD1-CB 4.25Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.87Å; F77-A126 HydrophobicContact CE2-CB 4Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 VanDerWaalsContact CZ-CA 3.49Å; F77-A126 HydrophobicContact CZ-CB 3.72Å; P79-A126 HydrophobicContact CG-CB 4.24Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact OD1-N 2.99Å; A126-L129 PolarHBondContact O-N 3.32Å; A126-Y130 VanDerWaalsContact O-CB 3.26Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 2.76Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å
127	A	94.6	Very high	91.2	Very high	7 Å²	7	76.6 Å²	76.6	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-44.4	177.3	0	0	0	0	0	112.9	P79 P121 N123 S124 Q125 Y130 Q131	P79-A127 HydrophobicContact CB-CB 4.09Å; P121-A127 HydrophobicContact CB-CB 3.39Å; P121-A127 HydrophobicContact CG-CB 3.72Å; N123-A127 PolarHBondContact O-N 2.79Å; S124-A127 PolarHBondContact O-N 3.5Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; A127-Y130 PolarHBondContact O-N 3.36Å; A127-Q131 WeakPolarHBondContact O-CG 3.22Å; A127-Q131 PolarHBondContact O-N 3Å; A127-Q131 VanDerWaalsContact O-N 3.1Å
128	Q	94.4	Very high	91.8	Very high	102 Å²	102	76.7 Å²	76.7	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-48.8	177.1	-174.3	-176.5	3.9	0	0	111	S124 Q125 Y130 Q131 E132	S124-Q128 WeakPolarHBondContact O-CB 3.25Å; S124-Q128 PolarHBondContact O-N 2.84Å; Q125-Q128 PolarHBondContact O-N 3.3Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 3.3Å; Q128-Q131 PolarHBondContact O-N 3.34Å; Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.35Å; Q128-E132 PolarHBondContact NE2-OE2 2.95Å; Q128-E132 WeakPolarHBondContact O-CB 3.12Å; Q128-E132 PolarHBondContact O-N 3.33Å
129	L	95.5	Very high	92.9	Very high	26 Å²	26	80 Å²	80	14%	0.136	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-38.6	178.2	-68.8	-180	0	0	0	111.8	F77 Q125 A126 Q131 N133 K134 E136 Y137	F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CD1 4.43Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 3.32Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-N133 HydrophobicContact CD2-CB 4.19Å; L129-N133 CarbonylContact O-C 3.59Å; L129-N133 WeakPolarHBondContact O-CA 3.42Å; L129-N133 PolarHBondContact O-N 2.75Å; L129-K134 PolarHBondContact O-N 3.34Å; L129-E136 HydrophobicContact CD1-CG 4.1Å; L129-E136 HydrophobicContact CD2-CB 4.3Å; L129-E136 HydrophobicContact CD2-CG 4.03Å; L129-Y137 HydrophobicContact CB-CD2 4.42Å
130	Y	93.3	Very high	94	Very high	87 Å²	87	77.5 Å²	77.5	34%	0.341	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-38.8	176.3	-177.6	-103.4	0	0	0	112.3	P116 A126 A127 Q128 Y137	P116-Y130 HydrophobicContact CG-CE1 4.36Å; P116-Y130 HydrophobicContact CG-CE2 4.14Å; A126-Y130 VanDerWaalsContact O-CB 3.26Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 2.76Å; A127-Y130 PolarHBondContact O-N 3.36Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 3.3Å; Y130-Y137 AromaticContact CD2-CD1 3.95Å; Y130-Y137 HydrophobicContact CD2-CD1 3.95Å; Y130-Y137 AromaticContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE2 4.45Å; Y130-Y137 HydrophobicContact CD2-CG 4.38Å; Y130-Y137 HydrophobicContact CE2-CE1 4.39Å
131	Q	91.9	Very high	94.9	Very high	130 Å²	130	73.3 Å²	73.3	61%	0.607	35%	0.345	S	S	*	.	H	α-helix	trans	-83.6	-42.4	-179.5	-67.3	175.8	14.1	0	0	113.6	A127 Q128 L129	A127-Q131 WeakPolarHBondContact O-CG 3.22Å; A127-Q131 PolarHBondContact O-N 3Å; A127-Q131 VanDerWaalsContact O-N 3.1Å; Q128-Q131 PolarHBondContact O-N 3.34Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.92Å
132	E	95.1	Very high	95.4	Very high	141 Å²	141	73.5 Å²	73.5	66%	0.659	35%	0.347	S	S	*	.	H	α-helix	trans	-101.6	-26.7	-168.4	-61.9	179.7	176.4	0	0	113.4	Q128	Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.35Å; Q128-E132 PolarHBondContact NE2-OE2 2.95Å; Q128-E132 WeakPolarHBondContact O-CB 3.12Å; Q128-E132 PolarHBondContact O-N 3.33Å
133	N	95.6	Very high	95.6	Very high	77 Å²	77	75.2 Å²	75.2	41%	0.412	36%	0.361	S	S	.	.			trans	-149.9	69.6	-174	-169.2	-11.8	0	0	0	112	L129 R135 E136 Y137	L129-N133 HydrophobicContact CD2-CB 4.19Å; L129-N133 CarbonylContact O-C 3.59Å; L129-N133 WeakPolarHBondContact O-CA 3.42Å; L129-N133 PolarHBondContact O-N 2.75Å; N133-R135 PolarHBondContact O-N 3.15Å; N133-R135 VanDerWaalsContact O-N 3.11Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.39Å; N133-E136 PolarHBondContact OD1-N 2.93Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; N133-Y137 PolarHBondContact O-N 3.01Å
134	K	94.1	Very high	95.6	Very high	118 Å²	118	74.4 Å²	74.4	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-53.4	-34.7	-178	-168.3	172.5	-178.5	178.4	0	113	L129 Y137 E138	L129-K134 PolarHBondContact O-N 3.34Å; K134-Y137 WeakPolarHBondContact O-CB 3.46Å; K134-Y137 PolarHBondContact O-N 2.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 HydrophobicContact CG-CG 4.39Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 VanDerWaalsContact O-CG 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.25Å; K134-E138 PolarHBondContact O-N 3.49Å
135	R	96.8	Very high	95.8	Very high	210 Å²	210	70.8 Å²	70.8	79%	0.792	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-45.2	177.3	-177.1	178.6	178.4	169	1.5	113	N133 K139	N133-R135 PolarHBondContact O-N 3.15Å; N133-R135 VanDerWaalsContact O-N 3.11Å; R135-K139 WeakPolarHBondContact O-CB 3.29Å; R135-K139 PolarHBondContact O-N 2.85Å; R135-K139 VanDerWaalsContact O-N 3.09Å
136	E	97.5	Very high	95.8	Very high	55 Å²	55	70.9 Å²	70.9	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-72.8	-32.9	177	179.5	61	-161.5	0	0	111.2	L129 N133 R140	L129-E136 HydrophobicContact CD1-CG 4.1Å; L129-E136 HydrophobicContact CD2-CB 4.3Å; L129-E136 HydrophobicContact CD2-CG 4.03Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.39Å; N133-E136 PolarHBondContact OD1-N 2.93Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.93Å; E136-R140 IonicContact OE1-NE 3.57Å; E136-R140 PolarHBondContact OE1-NE 3.47Å; E136-R140 VanDerWaalsContact OE1-NE 3.14Å; E136-R140 IonicContact OE1-NH2 3.38Å
137	Y	96.5	Very high	95.8	Very high	3 Å²	3	74.6 Å²	74.6	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-55.3	170.7	175.1	-98.2	0	0	0	111.2	P47 F48 F77 A126 L129 Y130 N133 K134 K139 R140 V141	P47-Y137 HydrophobicContact CG-CE1 4.39Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.3Å; F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.13Å; F77-Y137 AromaticContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CE2 4.09Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å; L129-Y137 HydrophobicContact CB-CD2 4.42Å; Y130-Y137 AromaticContact CD2-CD1 3.95Å; Y130-Y137 HydrophobicContact CD2-CD1 3.95Å; Y130-Y137 AromaticContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE2 4.45Å; Y130-Y137 HydrophobicContact CD2-CG 4.38Å; Y130-Y137 HydrophobicContact CE2-CE1 4.39Å; N133-Y137 PolarHBondContact O-N 3.01Å; K134-Y137 WeakPolarHBondContact O-CB 3.46Å; K134-Y137 PolarHBondContact O-N 2.86Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.83Å; Y137-R140 WeakPolarHBondContact O-CB 3.33Å; Y137-R140 PolarHBondContact O-N 2.91Å; Y137-V141 HydrophobicContact CD1-CG2 4.16Å; Y137-V141 HydrophobicContact CD2-CG2 4.41Å; Y137-V141 HydrophobicContact CE1-CG2 3.69Å; Y137-V141 HydrophobicContact CE2-CG2 3.94Å; Y137-V141 HydrophobicContact CG-CG2 4.49Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 3.07Å
138	E	96.4	Very high	95.8	Very high	74 Å²	74	74.4 Å²	74.4	35%	0.346	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-45.9	178.9	-75.1	170.6	-179	0	0	111.3	P47 K134 R140 V141 S142	P47-E138 HydrophobicContact CB-CG 4.14Å; P47-E138 HydrophobicContact CG-CG 3.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 HydrophobicContact CG-CG 4.39Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 VanDerWaalsContact O-CG 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.25Å; K134-E138 PolarHBondContact O-N 3.49Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 2.85Å; E138-V141 PolarHBondContact O-N 2.98Å; E138-V141 VanDerWaalsContact O-N 3.12Å; E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 3.16Å
139	K	97.4	Very high	95.7	Very high	142 Å²	142	75.8 Å²	75.8	62%	0.617	35%	0.348	S	S	*	.	H	α-helix	trans	-56.3	-40.7	176	-176.3	-174.8	175.1	-169.5	0	112.7	R135 Y137 A143	R135-K139 WeakPolarHBondContact O-CB 3.29Å; R135-K139 PolarHBondContact O-N 2.85Å; R135-K139 VanDerWaalsContact O-N 3.09Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.83Å; K139-A143 PolarHBondContact O-N 2.81Å
140	R	97.2	Very high	95.3	Very high	86 Å²	86	84.2 Å²	84.2	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-71	-40.2	177.5	-72.5	-175	-178.2	-143.6	4.9	111.8	F77 E136 Y137 E138 A143 I144	F77-R140 HydrophobicContact CD1-CB 3.72Å; F77-R140 HydrophobicContact CE1-CB 3.82Å; F77-R140 HydrophobicContact CE1-CG 4.45Å; F77-R140 HydrophobicContact CG-CB 4.33Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.93Å; E136-R140 IonicContact OE1-NE 3.57Å; E136-R140 PolarHBondContact OE1-NE 3.47Å; E136-R140 VanDerWaalsContact OE1-NE 3.14Å; E136-R140 IonicContact OE1-NH2 3.38Å; Y137-R140 WeakPolarHBondContact O-CB 3.33Å; Y137-R140 PolarHBondContact O-N 2.91Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 2.85Å; R140-A143 PolarHBondContact O-N 2.78Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.44Å
141	V	97	Very high	94.2	Very high	0 Å²	0	83.5 Å²	83.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-43.3	175.9	-179.8	0	0	0	0	110.7	P47 F48 F77 Y137 E138 A143 I144 V145	P47-V141 HydrophobicContact CB-CB 4.07Å; P47-V141 HydrophobicContact CB-CG1 3.92Å; P47-V141 VanDerWaalsContact O-CG1 3.24Å; P47-V141 WeakPolarHBondContact O-CG1 3.37Å; F48-V141 HydrophobicContact CD1-CG1 3.47Å; F48-V141 VanDerWaalsContact CD1-CG1 3.47Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CG1 3.44Å; F48-V141 VanDerWaalsContact CE1-CG1 3.44Å; F48-V141 HydrophobicContact CE1-CG2 4.29Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CG2 3.93Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; Y137-V141 HydrophobicContact CD1-CG2 4.16Å; Y137-V141 HydrophobicContact CD2-CG2 4.41Å; Y137-V141 HydrophobicContact CE1-CG2 3.69Å; Y137-V141 HydrophobicContact CE2-CG2 3.94Å; Y137-V141 HydrophobicContact CG-CG2 4.49Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 3.07Å; E138-V141 PolarHBondContact O-N 2.98Å; E138-V141 VanDerWaalsContact O-N 3.12Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.13Å; V141-I144 CarbonylContact O-C 3.57Å; V141-I144 WeakPolarHBondContact O-CA 3.1Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 3.46Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 PolarHBondContact O-N 3.02Å
142	S	96.1	Very high	92.2	Very high	54 Å²	54	84.1 Å²	84.1	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-57.1	-40.5	176.2	-56	0	0	0	0	112.4	E138 I144 V145 E146	E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 3.16Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.44Å; S142-V145 WeakPolarHBondContact O-CB 3.46Å; S142-V145 PolarHBondContact O-N 3.26Å; S142-E146 WeakPolarHBondContact O-CG 3.41Å; S142-E146 PolarHBondContact O-N 3.35Å
143	A	96.8	Very high	92	Very high	53 Å²	53	81.3 Å²	81.3	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-32.1	175.3	0	0	0	0	0	112.9	K139 R140 V141 Q147	K139-A143 PolarHBondContact O-N 2.81Å; R140-A143 PolarHBondContact O-N 2.78Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.13Å; A143-Q147 WeakPolarHBondContact O-CB 2.97Å; A143-Q147 PolarHBondContact O-N 3.48Å; A143-Q147 VanDerWaalsContact O-N 3.13Å
144	I	96.5	Very high	91.9	Very high	14 Å²	14	81.5 Å²	81.5	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-74.4	-40.2	175	-63.2	-57	0	0	0	111.3	F53 K75 F77 R140 V141 S142 Q147 S148	F53-I144 HydrophobicContact CE1-CG2 4.08Å; K75-I144 HydrophobicContact CB-CD1 4.35Å; K75-I144 HydrophobicContact CD-CD1 3.76Å; K75-I144 HydrophobicContact CG-CD1 3.88Å; K75-I144 WeakPolarHBondContact O-CG2 3.44Å; F77-I144 HydrophobicContact CB-CG1 3.83Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.44Å; V141-I144 CarbonylContact O-C 3.57Å; V141-I144 WeakPolarHBondContact O-CA 3.1Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 3.46Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.44Å; I144-Q147 PolarHBondContact O-N 3.37Å; I144-S148 PolarHBondContact O-N 3.05Å
145	V	97	Very high	91.7	Very high	9 Å²	9	79.5 Å²	79.5	6%	0.055	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-52.4	172.5	166.1	0	0	0	0	110.1	E49 F53 V141 S142 Q147 S148 W149	E49-V145 WeakPolarHBondContact O-CG1 3.41Å; F53-V145 HydrophobicContact CZ-CG2 4.04Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 PolarHBondContact O-N 3.02Å; S142-V145 WeakPolarHBondContact O-CB 3.46Å; S142-V145 PolarHBondContact O-N 3.26Å; V145-Q147 VanDerWaalsContact C-N 3.26Å; V145-Q147 PolarHBondContact O-N 3.23Å; V145-S148 WeakPolarHBondContact O-CB 3.16Å; V145-S148 PolarHBondContact O-N 3.19Å; V145-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-OG 3.24Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å
146	E	96.1	Very high	91.4	Very high	100 Å²	100	71.8 Å²	71.8	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-36.7	177.2	-72	177.2	-160.7	0	0	112.8	S142 S148 W149	S142-E146 WeakPolarHBondContact O-CG 3.41Å; S142-E146 PolarHBondContact O-N 3.35Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.26Å; E146-W149 HydrophobicContact CG-CE3 4.48Å; E146-W149 HydrophobicContact CG-CH2 4.12Å; E146-W149 HydrophobicContact CG-CZ3 3.87Å
147	Q	95.6	Very high	91.1	Very high	78 Å²	78	72.9 Å²	72.9	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-36.3	177.8	-174.7	167.4	12.6	0	0	111.6	A143 I144 V145 W149 R150	A143-Q147 WeakPolarHBondContact O-CB 2.97Å; A143-Q147 PolarHBondContact O-N 3.48Å; A143-Q147 VanDerWaalsContact O-N 3.13Å; I144-Q147 PolarHBondContact O-N 3.37Å; V145-Q147 VanDerWaalsContact C-N 3.26Å; V145-Q147 PolarHBondContact O-N 3.23Å; Q147-W149 PolarHBondContact O-N 2.57Å; Q147-R150 PolarHBondContact O-N 3.07Å
148	S	95.1	Very high	90.7	Very high	3 Å²	3	77.5 Å²	77.5	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-59.8	-28.3	-178.6	80.3	0	0	0	0	113.3	T52 I144 V145 E146 R150	T52-S148 PolarHBondContact N-OG 2.91Å; T52-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.05Å; V145-S148 WeakPolarHBondContact O-CB 3.16Å; V145-S148 PolarHBondContact O-N 3.19Å; V145-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-OG 3.24Å; E146-S148 VanDerWaalsContact C-N 3.33Å; S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.28Å
149	W	92.6	Very high	90.3	Very high	131 Å²	131	77.8 Å²	77.8	50%	0.496	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-72.1	-23.5	177.8	-52	-27.8	0	0	0	113.7	D50 V145 E146 Q147 D151	D50-W149 HydrophobicContact CB-CZ2 4.24Å; D50-W149 PolarHBondContact O-NE1 2.88Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.26Å; E146-W149 HydrophobicContact CG-CE3 4.48Å; E146-W149 HydrophobicContact CG-CH2 4.12Å; E146-W149 HydrophobicContact CG-CZ3 3.87Å; Q147-W149 PolarHBondContact O-N 2.57Å; W149-D151 VanDerWaalsContact C-N 3.35Å
150	R	86.4	Confident	89.7	Confident	203 Å²	203	72.8 Å²	72.8	77%	0.766	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-84.1	-15.7	-177.5	-60.1	-175.7	-175	-179.1	3	112.8	Q147 S148 C152	Q147-R150 PolarHBondContact O-N 3.07Å; S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.28Å; R150-C152 PolarHBondContact O-N 2.76Å
151	D	69.7	Low	89.1	Confident	73 Å²	73	71.8 Å²	71.8	39%	0.39	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-81.3	-0.1	-179.4	-66.5	-23.1	0	0	0	112.1	K54 W149	K54-D151 PolarHBondContact NZ-O 2.82Å; W149-D151 VanDerWaalsContact C-N 3.35Å
152	C	50.5	Low	88.4	Confident	143 Å²	143	78.3 Å²	78.3	97%	0.966	40%	0.401	S	S	*	.			trans	-73.1	0	179.1	-75.9	0	0	0	0	114.1	R150	R150-C152 PolarHBondContact O-N 2.76Å

Retrieved 152 of 152 residues in 845.8 ms (Link to these results)

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