A0A087XMR0_POEFO Loading...

Microtubule-associated protein 1 light chain 3 beta

AlphaFold DB , UniProt , Accession A0A087XMR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 aa.

						>A0A087XMR0_POEFO|A0A087XMR0
MSSEKTFKQRRTFEQRVEDVRLIQDQHPNKIPVIIERYTGEKQLPILDKTKFLVPDHVNMSELIKIIRRRLQLNSNQAFYLLVNGHSMVSVSAPISEVYEREKDHDGFLYMVYASQETFGRHSRGPWGPSSPVL
					

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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	40.3	Very low	79.6	Confident	219 Å²	219	109.5 Å²	109.5	100%	1.079	54%	0.543	S	S	*	.				0	103.2	0	-70.5	-169.9	165.2	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.75Å
2	S	43.4	Very low	81.1	Confident	112 Å²	112	106.1 Å²	106.1	78%	0.783	53%	0.533	S	S	*	.			trans	-69.2	103.8	176.2	44.6	0	0	0	0	108.1	E4	S2-E4 PolarHBondContact O-N 3.1Å
3	S	58.3	Low	82.5	Confident	108 Å²	108	104.4 Å²	104.4	76%	0.755	52%	0.521	S	S	*	.			trans	-62	104	164.4	-174.5	0	0	0	0	106.3	M1 K5	M1-S3 PolarHBondContact O-N 2.75Å; S3-K5 PolarHBondContact O-N 3.3Å
4	E	73.3	Confident	83.6	Confident	126 Å²	126	106 Å²	106	59%	0.589	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-58.8	128.3	173.9	-74.2	-171.2	151.4	0	0	108.4	S2 T6	S2-E4 PolarHBondContact O-N 3.1Å; E4-T6 PolarHBondContact O-N 3.39Å
5	K	87.3	Confident	84.6	Confident	142 Å²	142	104.7 Å²	104.7	62%	0.617	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-63.8	130.4	177.8	-69.8	-177	179.7	-178	0	108.8	S3 Q9 R10	S3-K5 PolarHBondContact O-N 3.3Å; K5-Q9 VanDerWaalsContact CA-OE1 3.3Å; K5-Q9 HydrophobicContact CB-CB 4.03Å; K5-R10 HydrophobicContact CB-CG 3.71Å; K5-R10 WeakPolarHBondContact O-CD 3.39Å; K5-R10 PolarHBondContact O-NE 3.25Å
6	T	93.7	Very high	85.5	Confident	49 Å²	49	99.4 Å²	99.4	30%	0.301	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-62.4	162.5	177.8	68.2	0	0	0	0	111.1	E4 K8 Q9 R10 E36	E4-T6 PolarHBondContact O-N 3.39Å; T6-K8 PolarHBondContact O-N 3.5Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 3.05Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.45Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; T6-R10 WeakPolarHBondContact O-CG 3.36Å; T6-R10 PolarHBondContact O-N 3.46Å; T6-E36 WeakPolarHBondContact CB-OE2 3.28Å
7	F	95.8	Very high	86.2	Confident	4 Å²	4	97 Å²	97	2%	0.018	48%	0.482	C	S	.	.	H	α-helix	trans	-55.8	-40.7	177.4	-177.6	-114.9	0	0	0	112.1	Q9 R10 R11 R16 I34 E36 K51 F108 Y110	F7-Q9 VanDerWaalsContact C-N 3.28Å; F7-Q9 PolarHBondContact O-N 3Å; F7-R10 PolarHBondContact O-N 3.3Å; F7-R10 VanDerWaalsContact O-N 3.15Å; F7-R11 HydrophobicContact CD2-CG 4.26Å; F7-R11 HydrophobicContact CE2-CB 4.41Å; F7-R11 HydrophobicContact CE2-CG 3.7Å; F7-R11 HydrophobicContact CZ-CB 4.46Å; F7-R11 HydrophobicContact CZ-CG 4.1Å; F7-R11 PolarHBondContact O-N 3Å; F7-R16 HydrophobicContact CD1-CG 4.34Å; F7-R16 HydrophobicContact CE1-CG 3.6Å; F7-R16 HydrophobicContact CZ-CG 4.01Å; F7-I34 HydrophobicContact CB-CG2 3.83Å; F7-I34 HydrophobicContact CD1-CD1 3.57Å; F7-I34 HydrophobicContact CD1-CG1 3.65Å; F7-I34 HydrophobicContact CD1-CG2 4.38Å; F7-I34 HydrophobicContact CD2-CD1 4.33Å; F7-I34 HydrophobicContact CE1-CD1 3.71Å; F7-I34 HydrophobicContact CE1-CG1 4.04Å; F7-I34 HydrophobicContact CE2-CD1 4.46Å; F7-I34 HydrophobicContact CG-CD1 3.9Å; F7-I34 HydrophobicContact CG-CG1 4.25Å; F7-I34 HydrophobicContact CG-CG2 4.29Å; F7-I34 HydrophobicContact CZ-CD1 4.17Å; F7-E36 PolarHBondContact N-OE1 3.15Å; F7-E36 PolarHBondContact N-OE2 2.6Å; F7-K51 HydrophobicContact CD2-CD 4.42Å; F7-K51 HydrophobicContact CE2-CD 3.78Å; F7-K51 HydrophobicContact CE2-CG 4.3Å; F7-K51 HydrophobicContact CZ-CD 4.25Å; F7-F108 AromaticContact CE1-CD2 3.94Å; F7-F108 HydrophobicContact CE1-CD2 3.94Å; F7-F108 AromaticContact CE1-CE2 3.71Å; F7-F108 HydrophobicContact CE1-CE2 3.71Å; F7-F108 HydrophobicContact CE1-CG 4.47Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 HydrophobicContact CZ-CE2 4.05Å; F7-F108 HydrophobicContact CZ-CZ 4.13Å; F7-Y110 HydrophobicContact CD1-CE1 4.12Å
8	K	96.1	Very high	86.9	Confident	83 Å²	83	95.8 Å²	95.8	36%	0.361	48%	0.475	S	S	.	.	H	α-helix	trans	-66.4	-24.7	175.5	-65.4	-164.6	-179	-171.5	0	113.8	T6 R11 D104 Y110	T6-K8 PolarHBondContact O-N 3.5Å; K8-R11 VanDerWaalsContact O-O 3.04Å; K8-D104 IonicContact NZ-OD1 2.96Å; K8-D104 PolarHBondContact NZ-OD1 2.72Å; K8-D104 IonicContact NZ-OD2 3.26Å; K8-D104 PolarHBondContact NZ-OD2 3.35Å; K8-Y110 HydrophobicContact CD-CE1 4.31Å; K8-Y110 WeakPolarHBondContact CE-OH 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.8Å; K8-Y110 WeakPolarHBondContact CG-OH 3.31Å
9	Q	95.5	Very high	87.5	Confident	126 Å²	126	92.4 Å²	92.4	59%	0.589	46%	0.459	S	S	*	.	H	α-helix	trans	-83.8	-23.8	173.6	-71.8	173.4	-27	0	0	112.8	K5 T6 F7	K5-Q9 VanDerWaalsContact CA-OE1 3.3Å; K5-Q9 HydrophobicContact CB-CB 4.03Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 3.05Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.45Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; F7-Q9 VanDerWaalsContact C-N 3.28Å; F7-Q9 PolarHBondContact O-N 3Å
10	R	95.2	Very high	88	Confident	129 Å²	129	88.1 Å²	88.1	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-89.1	-21.4	-179.7	-68.7	-176.1	-71	149.6	-3	113.3	K5 T6 F7 E36 T50	K5-R10 HydrophobicContact CB-CG 3.71Å; K5-R10 WeakPolarHBondContact O-CD 3.39Å; K5-R10 PolarHBondContact O-NE 3.25Å; T6-R10 WeakPolarHBondContact O-CG 3.36Å; T6-R10 PolarHBondContact O-N 3.46Å; F7-R10 PolarHBondContact O-N 3.3Å; F7-R10 VanDerWaalsContact O-N 3.15Å; R10-E36 IonicContact NH2-OE1 2.94Å; R10-E36 PolarHBondContact NH2-OE1 2.77Å; R10-T50 PolarHBondContact NH2-OG1 3.44Å
11	R	96.4	Very high	88.5	Confident	106 Å²	106	89.5 Å²	89.5	40%	0.4	44%	0.438	S	S	.	.	S	Bend	trans	-132.6	135.6	-177.6	-66.7	-65.4	-176.2	127.3	-5.1	110.6	F7 K8 Q15 R16 D19	F7-R11 HydrophobicContact CD2-CG 4.26Å; F7-R11 HydrophobicContact CE2-CB 4.41Å; F7-R11 HydrophobicContact CE2-CG 3.7Å; F7-R11 HydrophobicContact CZ-CB 4.46Å; F7-R11 HydrophobicContact CZ-CG 4.1Å; F7-R11 PolarHBondContact O-N 3Å; K8-R11 VanDerWaalsContact O-O 3.04Å; R11-Q15 HydrophobicContact CB-CB 4.5Å; R11-R16 HydrophobicContact CB-CG 3.79Å; R11-D19 IonicContact NH1-OD1 2.6Å
12	T	98.3	Very high	91.3	Very high	69 Å²	69	82.2 Å²	82.2	42%	0.423	40%	0.403	S	S	.	.			trans	-65.7	167.6	175.4	78.7	0	0	0	0	110.7	E14 Q15 R16	T12-E14 WeakPolarHBondContact CB-OE2 3.3Å; T12-E14 PolarHBondContact OG1-OE2 3.36Å; T12-Q15 VanDerWaalsContact N-OE1 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.35Å; T12-Q15 PolarHBondContact OG1-N 2.82Å; T12-R16 WeakPolarHBondContact O-CG 3.36Å; T12-R16 PolarHBondContact O-N 3.23Å; T12-R16 PolarHBondContact O-NE 2.86Å
13	F	98.4	Very high	93.9	Very high	84 Å²	84	78 Å²	78	37%	0.368	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-45.1	177.6	178.8	-95.6	0	0	0	111.8	Q15 R16 V17 H105 D106	F13-Q15 VanDerWaalsContact C-N 3.33Å; F13-Q15 PolarHBondContact O-N 3.01Å; F13-R16 VanDerWaalsContact CA-NH2 3.35Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.1Å; F13-V17 HydrophobicContact CD1-CG2 4.05Å; F13-V17 HydrophobicContact CE1-CG2 3.58Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.2Å; F13-V17 PolarHBondContact O-N 2.92Å; F13-H105 HydrophobicContact CE2-CB 4.09Å; F13-H105 HydrophobicContact CZ-CB 4.29Å; F13-D106 HydrophobicContact CD2-CB 4.05Å; F13-D106 HydrophobicContact CE2-CB 3.76Å; F13-D106 HydrophobicContact CZ-CB 4.48Å
14	E	98.6	Very high	95.7	Very high	127 Å²	127	77.1 Å²	77.1	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-63	-41.2	-178.1	-56	69.8	-148.9	0	0	111.1	T12 R16 V17 E18	T12-E14 WeakPolarHBondContact CB-OE2 3.3Å; T12-E14 PolarHBondContact OG1-OE2 3.36Å; E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.86Å; E14-V17 PolarHBondContact O-N 3.32Å; E14-E18 WeakPolarHBondContact O-CB 3.47Å; E14-E18 PolarHBondContact O-N 2.97Å
15	Q	98.4	Very high	96.8	Very high	87 Å²	87	76.4 Å²	76.4	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-36.4	174.9	-72	177.1	-23.5	0	0	112.3	R11 T12 F13 D19	R11-Q15 HydrophobicContact CB-CB 4.5Å; T12-Q15 VanDerWaalsContact N-OE1 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.35Å; T12-Q15 PolarHBondContact OG1-N 2.82Å; F13-Q15 VanDerWaalsContact C-N 3.33Å; F13-Q15 PolarHBondContact O-N 3.01Å; Q15-D19 WeakPolarHBondContact O-CB 3.38Å; Q15-D19 PolarHBondContact O-N 3.21Å
16	R	98.6	Very high	97.3	Very high	19 Å²	19	75.9 Å²	75.9	7%	0.072	36%	0.356	C	S	.	.	H	α-helix	trans	-72.1	-41.7	178.7	-69.3	179.9	-71.5	124.4	-1.2	111.7	F7 R11 T12 F13 E14 E18 D19 V20 D104 D106 F108 Y110	F7-R16 HydrophobicContact CD1-CG 4.34Å; F7-R16 HydrophobicContact CE1-CG 3.6Å; F7-R16 HydrophobicContact CZ-CG 4.01Å; R11-R16 HydrophobicContact CB-CG 3.79Å; T12-R16 WeakPolarHBondContact O-CG 3.36Å; T12-R16 PolarHBondContact O-N 3.23Å; T12-R16 PolarHBondContact O-NE 2.86Å; F13-R16 VanDerWaalsContact CA-NH2 3.35Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.1Å; E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.86Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 3.38Å; R16-D19 WeakPolarHBondContact O-CB 3.34Å; R16-D19 PolarHBondContact O-N 3.05Å; R16-V20 WeakPolarHBondContact O-CG2 3.48Å; R16-V20 PolarHBondContact O-N 3.43Å; R16-D104 IonicContact NH1-OD1 3.95Å; R16-D106 HydrophobicContact CB-CB 3.91Å; R16-D106 VanDerWaalsContact CB-OD2 3.28Å; R16-D106 WeakPolarHBondContact CB-OD2 3.37Å; R16-D106 VanDerWaalsContact CD-OD2 3.27Å; R16-D106 WeakPolarHBondContact CD-OD2 3.35Å; R16-D106 IonicContact CZ-OD2 3.34Å; R16-D106 IonicContact NE-OD2 3.82Å; R16-D106 IonicContact NH1-OD2 2.62Å; R16-D106 PolarHBondContact NH1-OD2 3.02Å; R16-F108 HydrophobicContact CB-CD2 4.27Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; R16-Y110 WeakPolarHBondContact CD-OH 3.38Å; R16-Y110 PolarHBondContact NH1-OH 3.48Å
17	V	98.6	Very high	97.5	Very high	59 Å²	59	77.2 Å²	77.2	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-47	173.2	171.7	0	0	0	0	110.8	F13 E14 V20 R21 D106	F13-V17 HydrophobicContact CD1-CG2 4.05Å; F13-V17 HydrophobicContact CE1-CG2 3.58Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.2Å; F13-V17 PolarHBondContact O-N 2.92Å; E14-V17 PolarHBondContact O-N 3.32Å; V17-V20 PolarHBondContact O-N 3.34Å; V17-R21 PolarHBondContact O-N 2.98Å; V17-D106 HydrophobicContact CG2-CB 4.17Å
18	E	98.5	Very high	97.5	Very high	75 Å²	75	81.7 Å²	81.7	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-66.4	-41.2	178.4	-177.6	59.3	-167.6	0	0	112.1	E14 R16 V20 R21 L22	E14-E18 WeakPolarHBondContact O-CB 3.47Å; E14-E18 PolarHBondContact O-N 2.97Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 3.38Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 3.29Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-CZ 3.39Å; E18-R21 IonicContact OE1-NE 3.68Å; E18-R21 PolarHBondContact OE1-NE 3.49Å; E18-R21 IonicContact OE1-NH2 3.68Å; E18-R21 PolarHBondContact OE1-NH2 2.91Å; E18-R21 IonicContact OE2-CZ 3.45Å; E18-R21 IonicContact OE2-NE 3.67Å; E18-R21 PolarHBondContact OE2-NE 2.96Å; E18-R21 IonicContact OE2-NH2 2.72Å; E18-L22 HydrophobicContact CG-CD1 4.25Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.26Å
19	D	98	Very high	97.5	Very high	32 Å²	32	82.9 Å²	82.9	17%	0.171	40%	0.398	C	S	.	.	H	α-helix	trans	-54.5	-46.2	172.9	-89.8	14.3	0	0	0	110.7	R11 Q15 R16 L22 I23 K51 F108	R11-D19 IonicContact NH1-OD1 2.6Å; Q15-D19 WeakPolarHBondContact O-CB 3.38Å; Q15-D19 PolarHBondContact O-N 3.21Å; R16-D19 WeakPolarHBondContact O-CB 3.34Å; R16-D19 PolarHBondContact O-N 3.05Å; D19-L22 PolarHBondContact O-N 2.74Å; D19-I23 WeakPolarHBondContact O-CB 3.43Å; D19-I23 WeakPolarHBondContact O-CD1 3.32Å; D19-I23 WeakPolarHBondContact O-CG1 3.43Å; D19-I23 PolarHBondContact O-N 3.47Å; D19-K51 IonicContact OD2-NZ 3.35Å; D19-K51 PolarHBondContact OD2-NZ 3.32Å; D19-F108 HydrophobicContact CB-CE2 4.11Å; D19-F108 HydrophobicContact CB-CZ 4.1Å
20	V	98.3	Very high	97.6	Very high	6 Å²	6	80.7 Å²	80.7	4%	0.036	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-44.5	179	172.6	0	0	0	0	111.3	R16 V17 E18 L22 I23 Q24 P32 D106 F108	R16-V20 WeakPolarHBondContact O-CG2 3.48Å; R16-V20 PolarHBondContact O-N 3.43Å; V17-V20 PolarHBondContact O-N 3.34Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 3.29Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.4Å; V20-I23 PolarHBondContact O-N 3.26Å; V20-I23 VanDerWaalsContact O-N 3.15Å; V20-Q24 HydrophobicContact CG1-CG 4.13Å; V20-Q24 WeakPolarHBondContact O-CG 3.4Å; V20-Q24 PolarHBondContact O-N 2.99Å; V20-P32 HydrophobicContact CG1-CG 4.32Å; V20-P32 HydrophobicContact CG2-CG 4.35Å; V20-D106 WeakPolarHBondContact CG2-O 3.41Å; V20-F108 HydrophobicContact CG2-CD1 4.34Å; V20-F108 HydrophobicContact CG2-CD2 3.35Å; V20-F108 HydrophobicContact CG2-CE1 4.32Å; V20-F108 HydrophobicContact CG2-CE2 3.34Å; V20-F108 HydrophobicContact CG2-CG 3.88Å; V20-F108 HydrophobicContact CG2-CZ 3.84Å
21	R	98.2	Very high	97.8	Very high	117 Å²	117	75.3 Å²	75.3	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-54.6	-49.6	177.4	-169.5	-174	75.4	79.7	-0.1	110.9	V17 E18 I23 Q24 D25	V17-R21 PolarHBondContact O-N 2.98Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-CZ 3.39Å; E18-R21 IonicContact OE1-NE 3.68Å; E18-R21 PolarHBondContact OE1-NE 3.49Å; E18-R21 IonicContact OE1-NH2 3.68Å; E18-R21 PolarHBondContact OE1-NH2 2.91Å; E18-R21 IonicContact OE2-CZ 3.45Å; E18-R21 IonicContact OE2-NE 3.67Å; E18-R21 PolarHBondContact OE2-NE 2.96Å; E18-R21 IonicContact OE2-NH2 2.72Å; R21-I23 PolarHBondContact O-N 2.96Å; R21-Q24 PolarHBondContact O-N 3.43Å; R21-D25 IonicContact NH1-OD2 3.44Å; R21-D25 PolarHBondContact NH1-OD2 3.33Å; R21-D25 PolarHBondContact O-N 3.43Å
22	L	98.2	Very high	97.9	Very high	66 Å²	66	70.4 Å²	70.4	35%	0.346	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178.5	-66.7	173.6	0	0	0	112.7	E18 D19 V20 Q26	E18-L22 HydrophobicContact CG-CD1 4.25Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.26Å; D19-L22 PolarHBondContact O-N 2.74Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.4Å; L22-Q26 WeakPolarHBondContact O-CB 3.35Å; L22-Q26 VanDerWaalsContact O-CG 3.3Å; L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 2.91Å; L22-Q26 VanDerWaalsContact O-N 3.1Å
23	I	97.7	Very high	97.9	Very high	24 Å²	24	67.1 Å²	67.1	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.7	-73.4	163.2	0	0	0	110.7	D19 V20 R21 D25 Q26 H27 P32 L53 F108	D19-I23 WeakPolarHBondContact O-CB 3.43Å; D19-I23 WeakPolarHBondContact O-CD1 3.32Å; D19-I23 WeakPolarHBondContact O-CG1 3.43Å; D19-I23 PolarHBondContact O-N 3.47Å; V20-I23 PolarHBondContact O-N 3.26Å; V20-I23 VanDerWaalsContact O-N 3.15Å; R21-I23 PolarHBondContact O-N 2.96Å; I23-D25 VanDerWaalsContact C-N 3.34Å; I23-Q26 PolarHBondContact O-N 2.82Å; I23-H27 WeakPolarHBondContact O-CA 3.34Å; I23-H27 WeakPolarHBondContact O-CB 3.49Å; I23-H27 PolarHBondContact O-N 2.96Å; I23-P32 HydrophobicContact CD1-CB 4.23Å; I23-P32 HydrophobicContact CG2-CB 4.25Å; I23-L53 HydrophobicContact CD1-CD2 4.28Å; I23-L53 HydrophobicContact CG1-CD2 4.39Å; I23-L53 HydrophobicContact CG2-CD2 3.44Å; I23-L53 VanDerWaalsContact CG2-CD2 3.44Å; I23-F108 HydrophobicContact CD1-CE1 4.23Å; I23-F108 HydrophobicContact CD1-CZ 4.1Å
24	Q	95.9	Very high	97.9	Very high	89 Å²	89	63.1 Å²	63.1	42%	0.416	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.5	-73.1	179.3	-29.7	0	0	111.7	V20 R21 P28	V20-Q24 HydrophobicContact CG1-CG 4.13Å; V20-Q24 WeakPolarHBondContact O-CG 3.4Å; V20-Q24 PolarHBondContact O-N 2.99Å; R21-Q24 PolarHBondContact O-N 3.43Å; Q24-P28 WeakPolarHBondContact O-CA 3.32Å
25	D	97.3	Very high	97.8	Very high	112 Å²	112	57.1 Å²	57.1	60%	0.599	28%	0.283	S	S	*	.	H	α-helix	trans	-63.7	-40.7	174.9	-73.1	-11	0	0	0	111.9	R21 I23	R21-D25 IonicContact NH1-OD2 3.44Å; R21-D25 PolarHBondContact NH1-OD2 3.33Å; R21-D25 PolarHBondContact O-N 3.43Å; I23-D25 VanDerWaalsContact C-N 3.34Å
26	Q	98	Very high	97.7	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	27%	0.27	S	S	*	.	H	α-helix	trans	-85	-29.3	-176.9	-68.8	174.7	41.7	0	0	113.8	L22 I23	L22-Q26 WeakPolarHBondContact O-CB 3.35Å; L22-Q26 VanDerWaalsContact O-CG 3.3Å; L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 2.91Å; L22-Q26 VanDerWaalsContact O-N 3.1Å; I23-Q26 PolarHBondContact O-N 2.82Å
27	H	97.4	Very high	97.6	Very high	77 Å²	77	57.8 Å²	57.8	36%	0.356	28%	0.283	S	S	.	.			trans	-141	64.1	-168.6	-57.8	-48.2	0	0	0	111.3	I23 N29 K30 L53	I23-H27 WeakPolarHBondContact O-CA 3.34Å; I23-H27 WeakPolarHBondContact O-CB 3.49Å; I23-H27 PolarHBondContact O-N 2.96Å; H27-N29 PolarHBondContact O-N 2.85Å; H27-N29 VanDerWaalsContact O-N 3.1Å; H27-K30 HydrophobicContact CB-CB 3.89Å; H27-K30 HydrophobicContact CB-CG 3.8Å; H27-K30 WeakPolarHBondContact O-CB 3.41Å; H27-K30 PolarHBondContact O-N 2.85Å; H27-L53 VanDerWaalsContact CD2-CD1 3.45Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.4Å
28	P	96.1	Very high	97.3	Very high	98 Å²	98	57.8 Å²	57.8	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.7	-171.3	22.4	-34.4	0	0	0	114.3	Q24 K30	Q24-P28 WeakPolarHBondContact O-CA 3.32Å; P28-K30 VanDerWaalsContact C-N 3.34Å
29	N	96.4	Very high	96.8	Very high	108 Å²	108	59.8 Å²	59.8	58%	0.578	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	19.8	-179.6	-53.7	-21.4	0	0	0	112.7	H27 D56	H27-N29 PolarHBondContact O-N 2.85Å; H27-N29 VanDerWaalsContact O-N 3.1Å; N29-D56 PolarHBondContact O-N 3.37Å
30	K	98	Very high	96.2	Very high	80 Å²	80	60.8 Å²	60.8	35%	0.348	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.5	179.6	-62.1	-76.9	-175.8	165.4	0	110	H27 P28 L53 V54 P55	H27-K30 HydrophobicContact CB-CB 3.89Å; H27-K30 HydrophobicContact CB-CG 3.8Å; H27-K30 WeakPolarHBondContact O-CB 3.41Å; H27-K30 PolarHBondContact O-N 2.85Å; P28-K30 VanDerWaalsContact C-N 3.34Å; K30-L53 HydrophobicContact CB-CB 4.18Å; K30-L53 HydrophobicContact CB-CD2 4.5Å; K30-L53 HydrophobicContact CD-CB 4.31Å; K30-L53 HydrophobicContact CG-CB 4.41Å; K30-V54 CarbonylContact C-O 3.54Å; K30-V54 WeakPolarHBondContact CA-O 3.42Å; K30-P55 HydrophobicContact CD-CG 4.39Å
31	I	98.3	Very high	95.9	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.6	173.5	-54.1	-51.1	0	0	0	109.4	V33 V54 I95 Y99	I31-V33 HydrophobicContact CB-CG2 4.41Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 2.91Å; I31-V54 PolarHBondContact N-O 3.49Å; I31-V54 PolarHBondContact O-N 2.83Å; I31-I95 HydrophobicContact CG1-CG2 4.01Å; I31-Y99 HydrophobicContact CD1-CD1 3.87Å; I31-Y99 HydrophobicContact CD1-CE1 4.38Å; I31-Y99 HydrophobicContact CD1-CG 4.15Å; I31-Y99 HydrophobicContact CG2-CD1 4.35Å; I31-Y99 HydrophobicContact CG2-CD2 3.5Å; I31-Y99 HydrophobicContact CG2-CE2 4.08Å; I31-Y99 HydrophobicContact CG2-CG 3.64Å
32	P	98.3	Very high	95.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.013	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.8	173.7	30.8	-32.7	0	0	0	110.6	V20 I23 L53 Y99 F108 L109	V20-P32 HydrophobicContact CG1-CG 4.32Å; V20-P32 HydrophobicContact CG2-CG 4.35Å; I23-P32 HydrophobicContact CD1-CB 4.23Å; I23-P32 HydrophobicContact CG2-CB 4.25Å; P32-L53 HydrophobicContact CB-CD2 4.42Å; P32-Y99 HydrophobicContact CG-CE2 4.44Å; P32-F108 HydrophobicContact CB-CD1 3.63Å; P32-F108 HydrophobicContact CB-CE1 3.62Å; P32-F108 HydrophobicContact CG-CD1 4.41Å; P32-L109 PolarHBondContact O-N 3.02Å
33	V	98.3	Very high	95.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133	-176.6	-168.8	0	0	0	0	110.6	I31 I35 F52 V54 I95 L109 M111	I31-V33 HydrophobicContact CB-CG2 4.41Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 2.91Å; V33-I35 HydrophobicContact CG1-CD1 4.03Å; V33-I35 HydrophobicContact CG1-CG1 3.65Å; V33-F52 HydrophobicContact CB-CB 4.4Å; V33-F52 PolarHBondContact N-O 3.4Å; V33-F52 PolarHBondContact O-N 3.22Å; V33-V54 HydrophobicContact CB-CG2 4.34Å; V33-V54 HydrophobicContact CG2-CB 4.35Å; V33-V54 HydrophobicContact CG2-CG2 3.76Å; V33-I95 HydrophobicContact CG2-CD1 3.76Å; V33-L109 CarbonylContact C-O 3.57Å; V33-L109 WeakPolarHBondContact CA-O 3.15Å; V33-L109 HydrophobicContact CG1-CB 4.26Å; V33-L109 HydrophobicContact CG2-CB 4.22Å; V33-L109 HydrophobicContact CG2-CD2 4.4Å; V33-M111 HydrophobicContact CG1-CE 4.13Å; V33-M111 HydrophobicContact CG1-CG 4.21Å; V33-M111 HydrophobicContact CG1-SD 4.15Å
34	I	98.3	Very high	94.9	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.4	169.5	-55.6	-60.3	0	0	0	108.4	F7 E36 T50 K51 F108 L109 Y110 M111	F7-I34 HydrophobicContact CB-CG2 3.83Å; F7-I34 HydrophobicContact CD1-CD1 3.57Å; F7-I34 HydrophobicContact CD1-CG1 3.65Å; F7-I34 HydrophobicContact CD1-CG2 4.38Å; F7-I34 HydrophobicContact CD2-CD1 4.33Å; F7-I34 HydrophobicContact CE1-CD1 3.71Å; F7-I34 HydrophobicContact CE1-CG1 4.04Å; F7-I34 HydrophobicContact CE2-CD1 4.46Å; F7-I34 HydrophobicContact CG-CD1 3.9Å; F7-I34 HydrophobicContact CG-CG1 4.25Å; F7-I34 HydrophobicContact CG-CG2 4.29Å; F7-I34 HydrophobicContact CZ-CD1 4.17Å; I34-E36 HydrophobicContact CG2-CG 3.91Å; I34-T50 CarbonylContact C-O 3.55Å; I34-T50 WeakPolarHBondContact CA-O 3.24Å; I34-K51 HydrophobicContact CD1-CB 4.29Å; I34-K51 HydrophobicContact CD1-CG 3.65Å; I34-F108 HydrophobicContact CD1-CD1 3.72Å; I34-F108 HydrophobicContact CD1-CE1 3.81Å; I34-F108 HydrophobicContact CD1-CG 4.35Å; I34-F108 HydrophobicContact CD1-CZ 4.5Å; I34-F108 HydrophobicContact CG1-CB 4.08Å; I34-F108 HydrophobicContact CG1-CD1 3.62Å; I34-F108 HydrophobicContact CG1-CE1 4.24Å; I34-F108 HydrophobicContact CG1-CG 3.91Å; I34-L109 PolarHBondContact N-O 3.36Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.81Å; I34-Y110 HydrophobicContact CB-CG 4.46Å; I34-Y110 HydrophobicContact CG1-CD1 4.2Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.92Å; I34-Y110 HydrophobicContact CG2-CE1 3.92Å; I34-M111 PolarHBondContact O-N 3.02Å
35	I	97.6	Very high	94.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112	178.4	-50.5	-179.3	0	0	0	108.5	V33 L47 T50 F52 L63 I67 L81 M111 Y113	V33-I35 HydrophobicContact CG1-CD1 4.03Å; V33-I35 HydrophobicContact CG1-CG1 3.65Å; I35-L47 HydrophobicContact CB-CD1 4.46Å; I35-L47 HydrophobicContact CG2-CD1 4.05Å; I35-T50 PolarHBondContact N-O 3.28Å; I35-T50 WeakPolarHBondContact O-CA 3.42Å; I35-T50 WeakPolarHBondContact O-CB 3.27Å; I35-F52 HydrophobicContact CB-CD2 4.04Å; I35-F52 HydrophobicContact CB-CE2 3.84Å; I35-F52 HydrophobicContact CD1-CD2 3.91Å; I35-F52 HydrophobicContact CD1-CE2 4.18Å; I35-F52 HydrophobicContact CD1-CG 4.41Å; I35-F52 HydrophobicContact CG1-CD2 3.87Å; I35-F52 HydrophobicContact CG1-CE2 4.15Å; I35-L63 HydrophobicContact CD1-CD1 4.21Å; I35-L63 HydrophobicContact CD1-CD2 4.46Å; I35-I67 HydrophobicContact CD1-CD1 3.61Å; I35-I67 HydrophobicContact CD1-CG1 3.97Å; I35-L81 HydrophobicContact CG2-CD1 3.86Å; I35-M111 WeakPolarHBondContact CA-O 3.42Å; I35-M111 HydrophobicContact CG1-CB 4.27Å; I35-Y113 HydrophobicContact CG2-CD1 4.04Å
36	E	96.5	Very high	94.6	Very high	27 Å²	27	62 Å²	62	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.2	-178.3	-66.6	-174.8	140	0	0	111	T6 F7 R10 I34 T50 M111 V112 Y113	T6-E36 WeakPolarHBondContact CB-OE2 3.28Å; F7-E36 PolarHBondContact N-OE1 3.15Å; F7-E36 PolarHBondContact N-OE2 2.6Å; R10-E36 IonicContact NH2-OE1 2.94Å; R10-E36 PolarHBondContact NH2-OE1 2.77Å; I34-E36 HydrophobicContact CG2-CG 3.91Å; E36-T50 HydrophobicContact CG-CG2 3.99Å; E36-M111 PolarHBondContact N-O 3.09Å; E36-M111 VanDerWaalsContact N-O 3.08Å; E36-V112 CarbonylContact O-C 3.56Å; E36-V112 WeakPolarHBondContact O-CA 3.34Å; E36-Y113 WeakPolarHBondContact O-CD1 3.28Å; E36-Y113 PolarHBondContact O-N 3.41Å
37	R	94.9	Very high	94.4	Very high	93 Å²	93	56.2 Å²	56.2	35%	0.351	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137	175.2	-167.4	170.6	67.3	175.3	-3.7	109.5	E41 L44 Y113	R37-E41 HydrophobicContact CG-CB 3.81Å; R37-E41 HydrophobicContact CG-CG 3.72Å; R37-L44 PolarHBondContact NH1-O 3.5Å; R37-L44 VanDerWaalsContact NH1-O 3.09Å; R37-Y113 VanDerWaalsContact CA-CE1 3.48Å; R37-Y113 HydrophobicContact CB-CE1 3.83Å; R37-Y113 HydrophobicContact CB-CE2 4.03Å; R37-Y113 HydrophobicContact CG-CD2 4.34Å; R37-Y113 HydrophobicContact CG-CE1 4.39Å; R37-Y113 HydrophobicContact CG-CE2 3.68Å
38	Y	92.7	Very high	94.1	Very high	60 Å²	60	57.9 Å²	57.9	24%	0.235	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.3	143.2	177.2	-174.2	-100.6	0	0	0	112	G40 E41 V112 Y113 A114 T118 H122	Y38-G40 PolarHBondContact O-N 3.29Å; Y38-E41 VanDerWaalsContact O-CB 3.28Å; Y38-E41 WeakPolarHBondContact O-CB 3.37Å; Y38-E41 PolarHBondContact O-N 3.37Å; Y38-E41 VanDerWaalsContact O-N 3.09Å; Y38-V112 HydrophobicContact CD2-CB 4.32Å; Y38-V112 HydrophobicContact CD2-CG2 3.71Å; Y38-Y113 VanDerWaalsContact CB-O 3.31Å; Y38-Y113 WeakPolarHBondContact CB-O 3.21Å; Y38-Y113 PolarHBondContact N-O 2.79Å; Y38-A114 HydrophobicContact CG-CB 4.2Å; Y38-T118 HydrophobicContact CD1-CG2 3.92Å; Y38-T118 HydrophobicContact CE1-CG2 4.37Å; Y38-H122 AromaticContact CE1-CD2 3.96Å; Y38-H122 AromaticContact CE1-NE2 3.99Å; Y38-H122 AromaticContact CZ-CD2 3.99Å; Y38-H122 PolarHBondContact OH-CD2 3.21Å
39	T	88.1	Confident	93.9	Very high	117 Å²	117	59.1 Å²	59.1	72%	0.718	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	119.5	177.2	-58.4	0	0	0	0	110.4
40	G	86.7	Confident	93.9	Very high	52 Å²	52	55.3 Å²	55.3	54%	0.536	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-3.7	-178.5	0	0	0	0	0	114.6	Y38 K42	Y38-G40 PolarHBondContact O-N 3.29Å; G40-K42 PolarHBondContact O-N 3.03Å
41	E	90.6	Very high	93.8	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.019	28%	0.284	C	S	.	.			trans	-67.3	126.5	165.6	175.2	52.2	-119	0	0	110.2	R37 Y38 Q43 L44 S115 T118	R37-E41 HydrophobicContact CG-CB 3.81Å; R37-E41 HydrophobicContact CG-CG 3.72Å; Y38-E41 VanDerWaalsContact O-CB 3.28Å; Y38-E41 WeakPolarHBondContact O-CB 3.37Å; Y38-E41 PolarHBondContact O-N 3.37Å; Y38-E41 VanDerWaalsContact O-N 3.09Å; E41-Q43 WeakPolarHBondContact OE1-CA 3.48Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.33Å; E41-Q43 PolarHBondContact OE1-N 3.39Å; E41-L44 HydrophobicContact CG-CB 4.04Å; E41-L44 HydrophobicContact CG-CD1 4.49Å; E41-L44 HydrophobicContact CG-CG 4.33Å; E41-L44 PolarHBondContact OE1-N 3.07Å; E41-S115 WeakPolarHBondContact OE2-CB 3.37Å; E41-S115 PolarHBondContact OE2-N 3.08Å; E41-S115 PolarHBondContact OE2-OG 3.35Å; E41-T118 HydrophobicContact CB-CG2 4.31Å; E41-T118 WeakPolarHBondContact OE2-CB 3.49Å; E41-T118 PolarHBondContact OE2-OG1 3.21Å
42	K	89.4	Confident	93.8	Very high	149 Å²	149	56.2 Å²	56.2	65%	0.648	29%	0.286	S	S	*	.			trans	-128.8	-12.4	-174.7	-65.2	-177.1	-175.4	-178.3	0	114.1	G40	G40-K42 PolarHBondContact O-N 3.03Å
43	Q	90.4	Very high	93.8	Very high	139 Å²	139	59.4 Å²	59.4	65%	0.65	30%	0.302	S	S	*	.	S	Bend	trans	-90.7	-39.4	-177.2	-54.6	-57.1	-30.8	0	0	111.5	E41	E41-Q43 WeakPolarHBondContact OE1-CA 3.48Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.33Å; E41-Q43 PolarHBondContact OE1-N 3.39Å
44	L	93.4	Very high	93.7	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	31%	0.305	C	S	.	.	S	Bend	trans	-82.6	143.2	-177.2	-59	-178.5	0	0	0	112.3	R37 E41 L73 F79 Y113 A114	R37-L44 PolarHBondContact NH1-O 3.5Å; R37-L44 VanDerWaalsContact NH1-O 3.09Å; E41-L44 HydrophobicContact CG-CB 4.04Å; E41-L44 HydrophobicContact CG-CD1 4.49Å; E41-L44 HydrophobicContact CG-CG 4.33Å; E41-L44 PolarHBondContact OE1-N 3.07Å; L44-L73 HydrophobicContact CD2-CD1 4.18Å; L44-L73 HydrophobicContact CD2-CD2 3.91Å; L44-F79 HydrophobicContact CD1-CB 3.62Å; L44-Y113 HydrophobicContact CB-CD2 4.29Å; L44-Y113 HydrophobicContact CB-CE2 4Å; L44-Y113 HydrophobicContact CD1-CD2 3.84Å; L44-Y113 HydrophobicContact CD1-CE2 4.39Å; L44-A114 VanDerWaalsContact CD1-C 3.44Å
45	P	94.1	Very high	93.7	Very high	58 Å²	58	61.3 Å²	61.3	38%	0.377	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-65.4	165.3	176.6	26.2	-30.7	0	0	0	111.8	L71 L73 Y113	P45-L71 HydrophobicContact CG-CB 4.19Å; P45-L71 HydrophobicContact CG-CD2 4Å; P45-L71 WeakPolarHBondContact CG-O 3.23Å; P45-L71 WeakPolarHBondContact O-CD2 3.34Å; P45-L73 HydrophobicContact CG-CD2 4.32Å; P45-Y113 WeakPolarHBondContact O-CE2 3.29Å; P45-Y113 PolarHBondContact O-OH 2.64Å
46	I	92.6	Very high	93.7	Very high	82 Å²	82	63.8 Å²	63.8	42%	0.421	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-87.8	135.3	176.3	-59.2	176	0	0	0	108.8	Y113	I46-Y113 WeakPolarHBondContact CA-OH 3.24Å
47	L	94.2	Very high	93.6	Very high	10 Å²	10	68.9 Å²	68.9	5%	0.052	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.4	141.5	171.7	-73.7	171.8	0	0	0	111.1	I35 K49 F52 I67 R70 L71 Y113	I35-L47 HydrophobicContact CB-CD1 4.46Å; I35-L47 HydrophobicContact CG2-CD1 4.05Å; L47-K49 WeakPolarHBondContact CB-O 3.34Å; L47-K49 PolarHBondContact O-N 2.86Å; L47-F52 HydrophobicContact CD1-CE2 4.31Å; L47-F52 HydrophobicContact CD1-CZ 4.17Å; L47-I67 HydrophobicContact CD1-CG2 4.43Å; L47-R70 HydrophobicContact CD2-CB 3.6Å; L47-L71 HydrophobicContact CD2-CD2 3.69Å; L47-L71 HydrophobicContact CD2-CG 3.84Å; L47-L71 HydrophobicContact CG-CD2 3.82Å; L47-L71 HydrophobicContact CG-CG 4.37Å; L47-Y113 HydrophobicContact CD1-CD1 4.14Å; L47-Y113 HydrophobicContact CD1-CE1 3.66Å; L47-Y113 HydrophobicContact CG-CE1 3.88Å; L47-Y113 PolarHBondContact N-OH 3.25Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å
48	D	90.8	Very high	93.7	Very high	112 Å²	112	65 Å²	65	60%	0.599	34%	0.338	S	S	*	.	S	Bend	trans	-61.8	-31.3	173.5	66.7	-45	0	0	0	112.9	R70	D48-R70 IonicContact OD1-NH1 2.86Å; D48-R70 PolarHBondContact OD1-NH1 3.4Å; D48-R70 IonicContact OD2-NH1 2.82Å; D48-R70 PolarHBondContact OD2-NH1 2.91Å
49	K	93.2	Very high	93.8	Very high	124 Å²	124	64.4 Å²	64.4	54%	0.539	34%	0.339	S	S	.	.			trans	-135.9	141.3	-178.5	-65.2	180	-173.4	-174.6	0	109.7	L47 F52	L47-K49 WeakPolarHBondContact CB-O 3.34Å; L47-K49 PolarHBondContact O-N 2.86Å; K49-F52 WeakPolarHBondContact O-CE2 3.12Å; K49-F52 WeakPolarHBondContact O-CZ 3.28Å
50	T	95.1	Very high	94.2	Very high	28 Å²	28	59 Å²	59	17%	0.172	31%	0.305	C	S	.	.			trans	-110.3	-16	177.4	67.1	0	0	0	0	113.5	R10 I34 I35 E36 F52	R10-T50 PolarHBondContact NH2-OG1 3.44Å; I34-T50 CarbonylContact C-O 3.55Å; I34-T50 WeakPolarHBondContact CA-O 3.24Å; I35-T50 PolarHBondContact N-O 3.28Å; I35-T50 WeakPolarHBondContact O-CA 3.42Å; I35-T50 WeakPolarHBondContact O-CB 3.27Å; E36-T50 HydrophobicContact CG-CG2 3.99Å; T50-F52 WeakPolarHBondContact O-CD2 3.32Å
51	K	96.4	Very high	94.6	Very high	89 Å²	89	58.2 Å²	58.2	39%	0.387	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.9	175.3	-61.4	-175	67.1	173.7	0	110.1	F7 D19 I34	F7-K51 HydrophobicContact CD2-CD 4.42Å; F7-K51 HydrophobicContact CE2-CD 3.78Å; F7-K51 HydrophobicContact CE2-CG 4.3Å; F7-K51 HydrophobicContact CZ-CD 4.25Å; D19-K51 IonicContact OD2-NZ 3.35Å; D19-K51 PolarHBondContact OD2-NZ 3.32Å; I34-K51 HydrophobicContact CD1-CB 4.29Å; I34-K51 HydrophobicContact CD1-CG 3.65Å
52	F	97.8	Very high	94.9	Very high	26 Å²	26	62.1 Å²	62.1	11%	0.114	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.4	-178.9	-62.9	-91.6	0	0	0	111.4	V33 I35 L47 K49 T50 V54 I67	V33-F52 HydrophobicContact CB-CB 4.4Å; V33-F52 PolarHBondContact N-O 3.4Å; V33-F52 PolarHBondContact O-N 3.22Å; I35-F52 HydrophobicContact CB-CD2 4.04Å; I35-F52 HydrophobicContact CB-CE2 3.84Å; I35-F52 HydrophobicContact CD1-CD2 3.91Å; I35-F52 HydrophobicContact CD1-CE2 4.18Å; I35-F52 HydrophobicContact CD1-CG 4.41Å; I35-F52 HydrophobicContact CG1-CD2 3.87Å; I35-F52 HydrophobicContact CG1-CE2 4.15Å; L47-F52 HydrophobicContact CD1-CE2 4.31Å; L47-F52 HydrophobicContact CD1-CZ 4.17Å; K49-F52 WeakPolarHBondContact O-CE2 3.12Å; K49-F52 WeakPolarHBondContact O-CZ 3.28Å; T50-F52 WeakPolarHBondContact O-CD2 3.32Å; F52-V54 HydrophobicContact CB-CG2 4.22Å; F52-I67 HydrophobicContact CE1-CD1 4.28Å; F52-I67 HydrophobicContact CZ-CD1 4.15Å
53	L	98	Very high	95.2	Very high	70 Å²	70	55.1 Å²	55.1	37%	0.366	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.6	169.3	-67.6	-179.4	0	0	0	108.2	I23 H27 K30 P32	I23-L53 HydrophobicContact CD1-CD2 4.28Å; I23-L53 HydrophobicContact CG1-CD2 4.39Å; I23-L53 HydrophobicContact CG2-CD2 3.44Å; I23-L53 VanDerWaalsContact CG2-CD2 3.44Å; H27-L53 VanDerWaalsContact CD2-CD1 3.45Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.4Å; K30-L53 HydrophobicContact CB-CB 4.18Å; K30-L53 HydrophobicContact CB-CD2 4.5Å; K30-L53 HydrophobicContact CD-CB 4.31Å; K30-L53 HydrophobicContact CG-CB 4.41Å; P32-L53 HydrophobicContact CB-CD2 4.42Å
54	V	97.9	Very high	95.4	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.2	-173.7	-171.3	0	0	0	0	109	K30 I31 V33 F52 D56 V58 L63 I95	K30-V54 CarbonylContact C-O 3.54Å; K30-V54 WeakPolarHBondContact CA-O 3.42Å; I31-V54 PolarHBondContact N-O 3.49Å; I31-V54 PolarHBondContact O-N 2.83Å; V33-V54 HydrophobicContact CB-CG2 4.34Å; V33-V54 HydrophobicContact CG2-CB 4.35Å; V33-V54 HydrophobicContact CG2-CG2 3.76Å; F52-V54 HydrophobicContact CB-CG2 4.22Å; V54-D56 PolarHBondContact O-N 3.22Å; V54-V58 HydrophobicContact CG1-CB 3.82Å; V54-V58 HydrophobicContact CG1-CG1 3.87Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-L63 HydrophobicContact CG2-CD1 4.11Å; V54-I95 HydrophobicContact CB-CD1 3.83Å; V54-I95 HydrophobicContact CG1-CD1 3.78Å; V54-I95 HydrophobicContact CG1-CG2 4.07Å; V54-I95 HydrophobicContact CG2-CD1 4.03Å
55	P	98.1	Very high	95.5	Very high	31 Å²	31	56 Å²	56	20%	0.201	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	139.2	172.1	-14.2	22.9	0	0	0	111.7	K30 H57 V58 I95	K30-P55 HydrophobicContact CD-CG 4.39Å; P55-H57 VanDerWaalsContact C-N 3.28Å; P55-H57 WeakPolarHBondContact CB-CE1 3.21Å; P55-H57 PolarHBondContact O-N 3.35Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.83Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 2.99Å; P55-V58 VanDerWaalsContact O-N 3.08Å; P55-I95 WeakPolarHBondContact O-CG2 3.4Å
56	D	96.5	Very high	95.6	Very high	52 Å²	52	55.8 Å²	55.8	28%	0.278	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.2	-178.4	53.1	8.9	0	0	0	115.5	N29 V54 V58 S96	N29-D56 PolarHBondContact O-N 3.37Å; V54-D56 PolarHBondContact O-N 3.22Å; D56-V58 VanDerWaalsContact C-N 3.33Å; D56-S96 PolarHBondContact O-N 2.81Å; D56-S96 PolarHBondContact O-OG 2.76Å
57	H	93.8	Very high	95.8	Very high	135 Å²	135	51.9 Å²	51.9	63%	0.625	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.4	179.6	61.9	-85.6	0	0	0	114.1	P55 N59	P55-H57 VanDerWaalsContact C-N 3.28Å; P55-H57 WeakPolarHBondContact CB-CE1 3.21Å; P55-H57 PolarHBondContact O-N 3.35Å; H57-N59 PolarHBondContact O-N 3.49Å
58	V	97.1	Very high	95.8	Very high	12 Å²	12	54.8 Å²	54.8	7%	0.073	27%	0.268	C	S	.	.			trans	-67.9	128.6	176.3	170.9	0	0	0	0	108.4	V54 P55 D56 E62 I95	V54-V58 HydrophobicContact CG1-CB 3.82Å; V54-V58 HydrophobicContact CG1-CG1 3.87Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.83Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 2.99Å; P55-V58 VanDerWaalsContact O-N 3.08Å; D56-V58 VanDerWaalsContact C-N 3.33Å; V58-E62 HydrophobicContact CG1-CB 3.8Å; V58-I95 VanDerWaalsContact O-CB 3.32Å; V58-I95 WeakPolarHBondContact O-CB 3.46Å; V58-I95 VanDerWaalsContact O-CG2 3.24Å; V58-I95 WeakPolarHBondContact O-CG2 3.41Å; V58-I95 PolarHBondContact O-N 3.49Å
59	N	95.9	Very high	96	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.251	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-92.1	161.8	176.2	37.3	24.5	0	0	0	111.7	H57 S61 E62 L63 A93	H57-N59 PolarHBondContact O-N 3.49Å; N59-S61 PolarHBondContact O-N 2.85Å; N59-S61 VanDerWaalsContact O-N 3.15Å; N59-E62 WeakPolarHBondContact O-CB 3.38Å; N59-E62 PolarHBondContact O-N 2.8Å; N59-E62 VanDerWaalsContact OD1-CG 3.23Å; N59-E62 WeakPolarHBondContact OD1-CG 3.22Å; N59-E62 PolarHBondContact OD1-OE2 3.5Å; N59-L63 PolarHBondContact O-N 3.34Å; N59-L63 VanDerWaalsContact O-N 3.16Å; N59-A93 VanDerWaalsContact CA-O 3.28Å; N59-A93 WeakPolarHBondContact CA-O 3.39Å; N59-A93 WeakPolarHBondContact CB-O 3.35Å
60	M	95.4	Very high	96.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-33.1	-171.9	-71.4	-58.6	-56.5	0	0	113.3	E62 L63 I64 L81 V89 A93 I95 V98 M111	M60-E62 VanDerWaalsContact C-N 3.34Å; M60-E62 PolarHBondContact O-N 3Å; M60-L63 HydrophobicContact CE-CD2 4.1Å; M60-L63 PolarHBondContact O-N 2.79Å; M60-L63 HydrophobicContact SD-CD2 4.23Å; M60-I64 WeakPolarHBondContact O-CB 3.36Å; M60-I64 WeakPolarHBondContact O-CD1 3.32Å; M60-I64 WeakPolarHBondContact O-CG1 3.46Å; M60-I64 PolarHBondContact O-N 3.24Å; M60-L81 HydrophobicContact CE-CD2 4.04Å; M60-V89 HydrophobicContact CB-CG2 4.41Å; M60-V89 HydrophobicContact CE-CG2 3.7Å; M60-V89 HydrophobicContact CG-CG2 3.7Å; M60-V89 HydrophobicContact SD-CG2 4.12Å; M60-A93 PolarHBondContact N-O 3.16Å; M60-I95 HydrophobicContact SD-CG1 4.27Å; M60-V98 HydrophobicContact CG-CG2 4.01Å; M60-V98 HydrophobicContact SD-CG2 4.19Å; M60-M111 HydrophobicContact CE-CE 3.88Å; M60-M111 HydrophobicContact CE-SD 4.08Å; M60-M111 HydrophobicContact SD-CE 4.07Å
61	S	95.3	Very high	96.2	Very high	36 Å²	36	55.2 Å²	55.2	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-37.4	176.1	75.3	0	0	0	0	113.1	N59 K65 V91	N59-S61 PolarHBondContact O-N 2.85Å; N59-S61 VanDerWaalsContact O-N 3.15Å; S61-K65 VanDerWaalsContact O-CG 3.29Å; S61-K65 WeakPolarHBondContact O-CG 3.38Å; S61-K65 PolarHBondContact O-N 2.8Å; S61-K65 VanDerWaalsContact O-N 3.1Å; S61-V91 VanDerWaalsContact CB-O 3.31Å; S61-V91 WeakPolarHBondContact CB-O 3.39Å; S61-V91 PolarHBondContact N-O 3.28Å
62	E	96.9	Very high	96.1	Very high	86 Å²	86	58.9 Å²	58.9	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-72.1	-42	176.6	-72	180	166.4	0	0	110.9	V58 N59 M60 I64 K65 I66	V58-E62 HydrophobicContact CG1-CB 3.8Å; N59-E62 WeakPolarHBondContact O-CB 3.38Å; N59-E62 PolarHBondContact O-N 2.8Å; N59-E62 VanDerWaalsContact OD1-CG 3.23Å; N59-E62 WeakPolarHBondContact OD1-CG 3.22Å; N59-E62 PolarHBondContact OD1-OE2 3.5Å; M60-E62 VanDerWaalsContact C-N 3.34Å; M60-E62 PolarHBondContact O-N 3Å; E62-I64 PolarHBondContact O-N 2.89Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 3.1Å; E62-I66 WeakPolarHBondContact O-CG1 3.43Å; E62-I66 PolarHBondContact O-N 3.27Å
63	L	96.6	Very high	95.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-47	173.4	-179.1	61	0	0	0	111.2	I35 V54 N59 M60 K65 I66 I67 L81 I95 M111	I35-L63 HydrophobicContact CD1-CD1 4.21Å; I35-L63 HydrophobicContact CD1-CD2 4.46Å; V54-L63 HydrophobicContact CG2-CD1 4.11Å; N59-L63 PolarHBondContact O-N 3.34Å; N59-L63 VanDerWaalsContact O-N 3.16Å; M60-L63 HydrophobicContact CE-CD2 4.1Å; M60-L63 PolarHBondContact O-N 2.79Å; M60-L63 HydrophobicContact SD-CD2 4.23Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.39Å; L63-I66 WeakPolarHBondContact O-CB 3.47Å; L63-I66 PolarHBondContact O-N 3.34Å; L63-I67 HydrophobicContact CD1-CD1 4.39Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.62Å; L63-L81 HydrophobicContact CD2-CD2 3.97Å; L63-L81 HydrophobicContact CG-CD2 4.12Å; L63-I95 HydrophobicContact CD2-CD1 3.84Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.87Å
64	I	95.1	Very high	95.6	Very high	45 Å²	45	60.3 Å²	60.3	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.4	-71.2	163.5	0	0	0	110.8	M60 E62 I66 I67 R68 F79 L81 V91	M60-I64 WeakPolarHBondContact O-CB 3.36Å; M60-I64 WeakPolarHBondContact O-CD1 3.32Å; M60-I64 WeakPolarHBondContact O-CG1 3.46Å; M60-I64 PolarHBondContact O-N 3.24Å; E62-I64 PolarHBondContact O-N 2.89Å; I64-I66 VanDerWaalsContact C-N 3.35Å; I64-I66 PolarHBondContact O-N 2.97Å; I64-I67 PolarHBondContact O-N 2.94Å; I64-R68 WeakPolarHBondContact O-CB 3.38Å; I64-R68 PolarHBondContact O-N 3.24Å; I64-F79 HydrophobicContact CG2-CE1 4.17Å; I64-F79 HydrophobicContact CG2-CZ 3.92Å; I64-L81 HydrophobicContact CG1-CB 4.26Å; I64-L81 HydrophobicContact CG1-CD2 4.09Å; I64-V91 HydrophobicContact CD1-CG1 4.09Å
65	K	94.8	Very high	95	Very high	118 Å²	118	64.9 Å²	64.9	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-39.4	175.3	-71.6	169.1	-173.6	171.8	0	112.1	S61 E62 L63 R69	S61-K65 VanDerWaalsContact O-CG 3.29Å; S61-K65 WeakPolarHBondContact O-CG 3.38Å; S61-K65 PolarHBondContact O-N 2.8Å; S61-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 3.1Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.39Å; K65-R69 WeakPolarHBondContact O-CG 3.29Å; K65-R69 PolarHBondContact O-N 3.15Å; K65-R69 VanDerWaalsContact O-N 3.12Å
66	I	95.9	Very high	94.4	Very high	55 Å²	55	70.6 Å²	70.6	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-48.8	176.4	-68.1	162.1	0	0	0	110.5	E62 L63 I64 R68 R69 R70	E62-I66 WeakPolarHBondContact O-CG1 3.43Å; E62-I66 PolarHBondContact O-N 3.27Å; L63-I66 WeakPolarHBondContact O-CB 3.47Å; L63-I66 PolarHBondContact O-N 3.34Å; I64-I66 VanDerWaalsContact C-N 3.35Å; I64-I66 PolarHBondContact O-N 2.97Å; I66-R68 PolarHBondContact O-N 3Å; I66-R69 VanDerWaalsContact CG1-NH2 3.33Å; I66-R69 PolarHBondContact O-N 3.25Å; I66-R70 PolarHBondContact O-N 3.13Å
67	I	96.4	Very high	94	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-40.3	-179.8	-59.5	-51.8	0	0	0	111.1	I35 L47 F52 L63 I64 R69 R70 L71 F79	I35-I67 HydrophobicContact CD1-CD1 3.61Å; I35-I67 HydrophobicContact CD1-CG1 3.97Å; L47-I67 HydrophobicContact CD1-CG2 4.43Å; F52-I67 HydrophobicContact CE1-CD1 4.28Å; F52-I67 HydrophobicContact CZ-CD1 4.15Å; L63-I67 HydrophobicContact CD1-CD1 4.39Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.62Å; I64-I67 PolarHBondContact O-N 2.94Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.36Å; I67-R70 PolarHBondContact O-N 3.42Å; I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.26Å; I67-L71 WeakPolarHBondContact O-CB 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.47Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-F79 HydrophobicContact CB-CE2 4.44Å; I67-F79 HydrophobicContact CB-CZ 4.26Å; I67-F79 HydrophobicContact CG2-CE2 3.95Å; I67-F79 HydrophobicContact CG2-CZ 4.16Å
68	R	95.4	Very high	93.7	Very high	70 Å²	70	67.2 Å²	67.2	26%	0.264	33%	0.334	S	S	.	.	H	α-helix	trans	-53.9	-47.9	172.6	-173.2	177.2	-86.7	-90.8	-3.2	112.2	I64 I66 L71 Q72 L73 N74 Q77 F79	I64-R68 WeakPolarHBondContact O-CB 3.38Å; I64-R68 PolarHBondContact O-N 3.24Å; I66-R68 PolarHBondContact O-N 3Å; R68-L71 PolarHBondContact O-N 3.44Å; R68-Q72 PolarHBondContact O-N 3.01Å; R68-Q72 VanDerWaalsContact O-N 3.13Å; R68-L73 HydrophobicContact CG-CB 4.03Å; R68-L73 PolarHBondContact O-N 3.05Å; R68-L73 VanDerWaalsContact O-N 3.15Å; R68-N74 PolarHBondContact NH1-O 3.34Å; R68-Q77 PolarHBondContact NH1-O 3.1Å; R68-Q77 PolarHBondContact NH2-O 3.23Å; R68-F79 HydrophobicContact CB-CE1 3.8Å; R68-F79 HydrophobicContact CB-CZ 4.29Å; R68-F79 HydrophobicContact CG-CE1 4.25Å
69	R	95.1	Very high	93.5	Very high	164 Å²	164	67.5 Å²	67.5	62%	0.619	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-41.4	179.3	-73.6	-170.3	-60.8	-96	4	112	K65 I66 I67 L71 Q72	K65-R69 WeakPolarHBondContact O-CG 3.29Å; K65-R69 PolarHBondContact O-N 3.15Å; K65-R69 VanDerWaalsContact O-N 3.12Å; I66-R69 VanDerWaalsContact CG1-NH2 3.33Å; I66-R69 PolarHBondContact O-N 3.25Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.36Å; R69-L71 VanDerWaalsContact C-N 3.34Å; R69-Q72 PolarHBondContact O-N 3.12Å
70	R	95.9	Very high	93.3	Very high	104 Å²	104	68.7 Å²	68.7	39%	0.392	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-36.8	177.4	-75.7	-172.8	167.1	-100.8	-2.4	112.9	L47 D48 I66 I67 Q72	L47-R70 HydrophobicContact CD2-CB 3.6Å; D48-R70 IonicContact OD1-NH1 2.86Å; D48-R70 PolarHBondContact OD1-NH1 3.4Å; D48-R70 IonicContact OD2-NH1 2.82Å; D48-R70 PolarHBondContact OD2-NH1 2.91Å; I66-R70 PolarHBondContact O-N 3.13Å; I67-R70 PolarHBondContact O-N 3.42Å; R70-Q72 PolarHBondContact O-N 2.88Å
71	L	95.6	Very high	93.2	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.3	173	-69.3	173.7	0	0	0	113.1	P45 L47 I67 R68 R69 L73 F79 Y113	P45-L71 HydrophobicContact CG-CB 4.19Å; P45-L71 HydrophobicContact CG-CD2 4Å; P45-L71 WeakPolarHBondContact CG-O 3.23Å; P45-L71 WeakPolarHBondContact O-CD2 3.34Å; L47-L71 HydrophobicContact CD2-CD2 3.69Å; L47-L71 HydrophobicContact CD2-CG 3.84Å; L47-L71 HydrophobicContact CG-CD2 3.82Å; L47-L71 HydrophobicContact CG-CG 4.37Å; I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.26Å; I67-L71 WeakPolarHBondContact O-CB 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.47Å; I67-L71 PolarHBondContact O-N 3.48Å; R68-L71 PolarHBondContact O-N 3.44Å; R69-L71 VanDerWaalsContact C-N 3.34Å; L71-L73 HydrophobicContact CB-CD1 4.05Å; L71-L73 HydrophobicContact CB-CD2 4.02Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.42Å; L71-L73 PolarHBondContact O-N 2.93Å; L71-F79 HydrophobicContact CD1-CD2 4.49Å; L71-F79 HydrophobicContact CD1-CE2 4.5Å; L71-Y113 HydrophobicContact CD1-CD2 3.82Å; L71-Y113 HydrophobicContact CD1-CE2 3.96Å; L71-Y113 HydrophobicContact CD1-CG 4.32Å; L71-Y113 HydrophobicContact CD2-CD2 4.38Å; L71-Y113 HydrophobicContact CD2-CE2 3.67Å; L71-Y113 HydrophobicContact CG-CE2 4.48Å
72	Q	95.3	Very high	93.1	Very high	165 Å²	165	67.6 Å²	67.6	77%	0.771	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37	-177.2	-56.2	-179.5	-5.4	0	0	113.1	R68 R69 R70	R68-Q72 PolarHBondContact O-N 3.01Å; R68-Q72 VanDerWaalsContact O-N 3.13Å; R69-Q72 PolarHBondContact O-N 3.12Å; R70-Q72 PolarHBondContact O-N 2.88Å
73	L	93.7	Very high	92.8	Very high	18 Å²	18	63.5 Å²	63.5	9%	0.094	31%	0.308	C	S	.	.			trans	-80	138.3	-176.9	-57.3	180	0	0	0	112	L44 P45 R68 L71 Q77 F79	L44-L73 HydrophobicContact CD2-CD1 4.18Å; L44-L73 HydrophobicContact CD2-CD2 3.91Å; P45-L73 HydrophobicContact CG-CD2 4.32Å; R68-L73 HydrophobicContact CG-CB 4.03Å; R68-L73 PolarHBondContact O-N 3.05Å; R68-L73 VanDerWaalsContact O-N 3.15Å; L71-L73 HydrophobicContact CB-CD1 4.05Å; L71-L73 HydrophobicContact CB-CD2 4.02Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.42Å; L71-L73 PolarHBondContact O-N 2.93Å; L73-Q77 HydrophobicContact CB-CB 4.2Å; L73-F79 HydrophobicContact CD1-CB 4.17Å; L73-F79 HydrophobicContact CD1-CD1 3.54Å; L73-F79 HydrophobicContact CD1-CE1 4.15Å; L73-F79 HydrophobicContact CD1-CG 3.95Å
74	N	90.1	Very high	92.4	Very high	108 Å²	108	65.7 Å²	65.7	58%	0.578	32%	0.319	S	S	*	.			trans	-69.7	159.8	174.5	-54.5	2.2	0	0	0	110	R68 N76 Q77	R68-N74 PolarHBondContact NH1-O 3.34Å; N74-N76 PolarHBondContact O-N 3.18Å; N74-N76 VanDerWaalsContact O-N 3.1Å; N74-Q77 HydrophobicContact CB-CG 4.46Å; N74-Q77 PolarHBondContact O-N 3.47Å
75	S	86.3	Confident	91.6	Very high	105 Å²	105	64.9 Å²	64.9	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.7	177	52.9	0	0	0	0	113.2	Q77	S75-Q77 VanDerWaalsContact C-N 3.34Å
76	N	86.1	Confident	90.7	Very high	151 Å²	151	65.4 Å²	65.4	81%	0.807	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.3	-175.3	-57.8	-1.6	0	0	0	113.1	N74	N74-N76 PolarHBondContact O-N 3.18Å; N74-N76 VanDerWaalsContact O-N 3.1Å
77	Q	87.4	Confident	89.9	Confident	76 Å²	76	64.3 Å²	64.3	36%	0.355	32%	0.323	S	S	.	.			trans	-87	113.5	175.3	-70.5	175.1	-62.1	0	0	108.9	R68 L73 N74 S75	R68-Q77 PolarHBondContact NH1-O 3.1Å; R68-Q77 PolarHBondContact NH2-O 3.23Å; L73-Q77 HydrophobicContact CB-CB 4.2Å; N74-Q77 HydrophobicContact CB-CG 4.46Å; N74-Q77 PolarHBondContact O-N 3.47Å; S75-Q77 VanDerWaalsContact C-N 3.34Å
78	A	87.8	Confident	89.1	Confident	40 Å²	40	70.3 Å²	70.3	33%	0.331	35%	0.353	S	S	.	.			trans	-85.6	142.5	172.7	0	0	0	0	0	110.4	Q116	A78-Q116 HydrophobicContact CB-CB 4.29Å
79	F	93.1	Very high	88.5	Confident	18 Å²	18	68.8 Å²	68.8	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.2	169.1	82.5	-76	0	0	0	109.8	L44 I64 I67 R68 L71 L73 L81 A114	L44-F79 HydrophobicContact CD1-CB 3.62Å; I64-F79 HydrophobicContact CG2-CE1 4.17Å; I64-F79 HydrophobicContact CG2-CZ 3.92Å; I67-F79 HydrophobicContact CB-CE2 4.44Å; I67-F79 HydrophobicContact CB-CZ 4.26Å; I67-F79 HydrophobicContact CG2-CE2 3.95Å; I67-F79 HydrophobicContact CG2-CZ 4.16Å; R68-F79 HydrophobicContact CB-CE1 3.8Å; R68-F79 HydrophobicContact CB-CZ 4.29Å; R68-F79 HydrophobicContact CG-CE1 4.25Å; L71-F79 HydrophobicContact CD1-CD2 4.49Å; L71-F79 HydrophobicContact CD1-CE2 4.5Å; L73-F79 HydrophobicContact CD1-CB 4.17Å; L73-F79 HydrophobicContact CD1-CD1 3.54Å; L73-F79 HydrophobicContact CD1-CE1 4.15Å; L73-F79 HydrophobicContact CD1-CG 3.95Å; F79-L81 HydrophobicContact CE2-CB 4.41Å; F79-A114 CarbonylContact C-O 3.53Å; F79-A114 VanDerWaalsContact CA-O 3.29Å; F79-A114 WeakPolarHBondContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CB-O 3.42Å
80	Y	91.6	Very high	88.1	Confident	73 Å²	73	64.3 Å²	64.3	29%	0.286	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.3	174	-63	-71.6	0	0	0	110.1	M88 Y113 A114 Q116 F119	Y80-M88 HydrophobicContact CD1-SD 4.15Å; Y80-M88 HydrophobicContact CE1-SD 4.29Å; Y80-Y113 WeakPolarHBondContact O-CA 3.31Å; Y80-A114 PolarHBondContact N-O 2.89Å; Y80-A114 PolarHBondContact O-N 3.45Å; Y80-A114 VanDerWaalsContact O-N 3.08Å; Y80-Q116 HydrophobicContact CE2-CB 4.06Å; Y80-Q116 HydrophobicContact CE2-CG 4.04Å; Y80-F119 HydrophobicContact CD2-CB 3.77Å; Y80-F119 HydrophobicContact CD2-CD1 4Å; Y80-F119 HydrophobicContact CD2-CG 4.02Å; Y80-F119 HydrophobicContact CE2-CB 4.1Å; Y80-F119 AromaticContact CE2-CD1 3.92Å; Y80-F119 HydrophobicContact CE2-CD1 3.92Å; Y80-F119 HydrophobicContact CE2-CG 4.32Å
81	L	93.1	Very high	87.7	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.073	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.2	167.7	-174.2	66.4	0	0	0	107.2	I35 M60 L63 I64 F79 M111	I35-L81 HydrophobicContact CG2-CD1 3.86Å; M60-L81 HydrophobicContact CE-CD2 4.04Å; L63-L81 HydrophobicContact CD2-CD2 3.97Å; L63-L81 HydrophobicContact CG-CD2 4.12Å; I64-L81 HydrophobicContact CG1-CB 4.26Å; I64-L81 HydrophobicContact CG1-CD2 4.09Å; F79-L81 HydrophobicContact CE2-CB 4.41Å; L81-M111 HydrophobicContact CD1-CB 3.93Å; L81-M111 HydrophobicContact CD1-SD 4.26Å; L81-M111 HydrophobicContact CD2-SD 3.75Å; L81-M111 HydrophobicContact CG-CB 4.35Å; L81-M111 HydrophobicContact CG-SD 3.91Å
82	L	91.9	Very high	87.5	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.4	-171.8	-57.1	171.3	0	0	0	109.5	M88 M111 V112 F119	L82-M88 HydrophobicContact CD2-CG 3.92Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.33Å; L82-V112 HydrophobicContact CB-CG2 3.87Å; L82-V112 HydrophobicContact CD1-CG2 4.24Å; L82-V112 PolarHBondContact N-O 3.48Å; L82-V112 PolarHBondContact O-N 3.2Å; L82-F119 HydrophobicContact CD1-CD2 3.81Å; L82-F119 HydrophobicContact CD1-CE2 3.85Å; L82-F119 HydrophobicContact CD2-CD2 4.4Å; L82-F119 HydrophobicContact CD2-CE2 3.95Å; L82-F119 HydrophobicContact CD2-CZ 4.38Å
83	V	92.4	Very high	87.4	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.9	175	-172.7	0	0	0	0	109	G85 H86 S87 V89 V98 E102 L109 M111	V83-G85 PolarHBondContact O-N 3.35Å; V83-H86 PolarHBondContact O-N 3.16Å; V83-H86 VanDerWaalsContact O-N 3.12Å; V83-S87 PolarHBondContact N-O 3.48Å; V83-S87 PolarHBondContact O-N 2.68Å; V83-V89 HydrophobicContact CB-CG1 4.33Å; V83-V89 HydrophobicContact CG2-CB 4.5Å; V83-V89 HydrophobicContact CG2-CG1 3.74Å; V83-V89 HydrophobicContact CG2-CG2 3.9Å; V83-V98 HydrophobicContact CG1-CG1 4.18Å; V83-V98 HydrophobicContact CG2-CG1 4.05Å; V83-E102 HydrophobicContact CG1-CB 3.59Å; V83-E102 HydrophobicContact CG1-CG 3.9Å; V83-L109 HydrophobicContact CG1-CD1 3.82Å; V83-M111 HydrophobicContact CG2-CE 4.17Å; V83-M111 HydrophobicContact CG2-CG 4.33Å; V83-M111 HydrophobicContact CG2-SD 4.48Å
84	N	87.8	Confident	87.5	Confident	48 Å²	48	61.4 Å²	61.4	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	23	-175.7	-67.2	-32.9	0	0	0	114.6	H86 E102 Y110	N84-H86 PolarHBondContact O-CE1 2.96Å; N84-H86 PolarHBondContact O-N 3.31Å; N84-H86 PolarHBondContact O-ND1 3.15Å; N84-E102 PolarHBondContact ND2-O 3.09Å; N84-E102 PolarHBondContact ND2-OE2 2.7Å; N84-E102 PolarHBondContact OD1-O 2.89Å; N84-Y110 PolarHBondContact N-O 2.91Å
85	G	77.3	Confident	87.9	Confident	29 Å²	29	56.2 Å²	56.2	30%	0.299	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-2.4	178.2	0	0	0	0	0	116.5	V83	V83-G85 PolarHBondContact O-N 3.35Å
86	H	75.6	Confident	88.4	Confident	129 Å²	129	53 Å²	53	60%	0.597	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	-28	-172.3	56.6	-81.8	0	0	0	115.1	V83 N84	V83-H86 PolarHBondContact O-N 3.16Å; V83-H86 VanDerWaalsContact O-N 3.12Å; N84-H86 PolarHBondContact O-CE1 2.96Å; N84-H86 PolarHBondContact O-N 3.31Å; N84-H86 PolarHBondContact O-ND1 3.15Å
87	S	79	Confident	88.9	Confident	31 Å²	31	49.3 Å²	49.3	22%	0.217	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-95.5	126.2	-171.9	-66.6	0	0	0	0	112.4	V83	V83-S87 PolarHBondContact N-O 3.48Å; V83-S87 PolarHBondContact O-N 2.68Å
88	M	81.1	Confident	89.3	Confident	126 Å²	126	46 Å²	46	62%	0.621	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-83.9	127.2	160.9	-69.3	-169.9	-66.8	0	0	108.4	Y80 L82	Y80-M88 HydrophobicContact CD1-SD 4.15Å; Y80-M88 HydrophobicContact CE1-SD 4.29Å; L82-M88 HydrophobicContact CD2-CG 3.92Å
89	V	83.1	Confident	89.7	Confident	39 Å²	39	45 Å²	45	24%	0.236	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-102.5	157.6	176.6	-66.2	0	0	0	0	110.5	M60 V83 V91 V98	M60-V89 HydrophobicContact CB-CG2 4.41Å; M60-V89 HydrophobicContact CE-CG2 3.7Å; M60-V89 HydrophobicContact CG-CG2 3.7Å; M60-V89 HydrophobicContact SD-CG2 4.12Å; V83-V89 HydrophobicContact CB-CG1 4.33Å; V83-V89 HydrophobicContact CG2-CB 4.5Å; V83-V89 HydrophobicContact CG2-CG1 3.74Å; V83-V89 HydrophobicContact CG2-CG2 3.9Å; V89-V91 PolarHBondContact O-N 2.88Å; V89-V98 HydrophobicContact CB-CG2 4.26Å; V89-V98 HydrophobicContact CG1-CG1 4.16Å; V89-V98 HydrophobicContact CG1-CG2 4.32Å; V89-V98 HydrophobicContact CG2-CG2 4.25Å
90	S	85.6	Confident	89.8	Confident	70 Å²	70	51.2 Å²	51.2	49%	0.49	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-57.2	130.4	173.7	180	0	0	0	0	110.2	S92 A93	S90-S92 PolarHBondContact O-N 3.4Å; S90-S92 PolarHBondContact OG-N 3.31Å; S90-S92 PolarHBondContact OG-OG 2.68Å; S90-A93 WeakPolarHBondContact O-CB 3.34Å; S90-A93 PolarHBondContact O-N 2.91Å; S90-A93 VanDerWaalsContact O-N 3.13Å
91	V	87.6	Confident	90	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.7	179.2	-62.7	0	0	0	0	112.7	S61 I64 V89	S61-V91 VanDerWaalsContact CB-O 3.31Å; S61-V91 WeakPolarHBondContact CB-O 3.39Å; S61-V91 PolarHBondContact N-O 3.28Å; I64-V91 HydrophobicContact CD1-CG1 4.09Å; V89-V91 PolarHBondContact O-N 2.88Å
92	S	91.8	Very high	90.1	Very high	84 Å²	84	58.1 Å²	58.1	59%	0.587	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.8	177	64	0	0	0	0	113.5	S90	S90-S92 PolarHBondContact O-N 3.4Å; S90-S92 PolarHBondContact OG-N 3.31Å; S90-S92 PolarHBondContact OG-OG 2.68Å
93	A	93.6	Very high	90.3	Very high	14 Å²	14	63.1 Å²	63.1	12%	0.116	34%	0.335	C	S	.	.	S	Bend	trans	-65.4	134.1	-177	0	0	0	0	0	110.7	N59 M60 S90 V98	N59-A93 VanDerWaalsContact CA-O 3.28Å; N59-A93 WeakPolarHBondContact CA-O 3.39Å; N59-A93 WeakPolarHBondContact CB-O 3.35Å; M60-A93 PolarHBondContact N-O 3.16Å; S90-A93 WeakPolarHBondContact O-CB 3.34Å; S90-A93 PolarHBondContact O-N 2.91Å; S90-A93 VanDerWaalsContact O-N 3.13Å; A93-V98 HydrophobicContact CB-CG2 4.16Å
94	P	96	Very high	90.6	Very high	48 Å²	48	65.1 Å²	65.1	31%	0.312	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-58.1	144.2	166.1	-21.4	33.6	0	0	0	110.7	S96 E97 V98	P94-S96 PolarHBondContact O-N 3.47Å; P94-E97 PolarHBondContact O-N 3.02Å; P94-V98 PolarHBondContact O-N 2.9Å
95	I	96.6	Very high	91.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66.8	-26.5	179	-162.6	173.9	0	0	0	112.3	I31 V33 V54 P55 V58 M60 L63 V98 Y99 L109 M111	I31-I95 HydrophobicContact CG1-CG2 4.01Å; V33-I95 HydrophobicContact CG2-CD1 3.76Å; V54-I95 HydrophobicContact CB-CD1 3.83Å; V54-I95 HydrophobicContact CG1-CD1 3.78Å; V54-I95 HydrophobicContact CG1-CG2 4.07Å; V54-I95 HydrophobicContact CG2-CD1 4.03Å; P55-I95 WeakPolarHBondContact O-CG2 3.4Å; V58-I95 VanDerWaalsContact O-CB 3.32Å; V58-I95 WeakPolarHBondContact O-CB 3.46Å; V58-I95 VanDerWaalsContact O-CG2 3.24Å; V58-I95 WeakPolarHBondContact O-CG2 3.41Å; V58-I95 PolarHBondContact O-N 3.49Å; M60-I95 HydrophobicContact SD-CG1 4.27Å; L63-I95 HydrophobicContact CD2-CD1 3.84Å; I95-V98 PolarHBondContact O-N 3.08Å; I95-Y99 VanDerWaalsContact O-CB 3.28Å; I95-Y99 WeakPolarHBondContact O-CB 3.21Å; I95-Y99 PolarHBondContact O-N 2.99Å; I95-L109 HydrophobicContact CD1-CD2 4.4Å; I95-L109 HydrophobicContact CG1-CD2 4.07Å; I95-M111 HydrophobicContact CD1-CE 4.36Å
96	S	97.3	Very high	92.1	Very high	36 Å²	36	69.9 Å²	69.9	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-45.1	172.4	52.3	0	0	0	0	112.2	D56 P94 Y99 E100	D56-S96 PolarHBondContact O-N 2.81Å; D56-S96 PolarHBondContact O-OG 2.76Å; P94-S96 PolarHBondContact O-N 3.47Å; S96-Y99 WeakPolarHBondContact O-CB 3.39Å; S96-Y99 PolarHBondContact O-N 2.84Å; S96-E100 WeakPolarHBondContact O-CG 3.2Å; S96-E100 PolarHBondContact O-N 2.93Å
97	E	96.1	Very high	93.1	Very high	74 Å²	74	64.4 Å²	64.4	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.6	-174.6	-175.3	170.9	0	0	111.4	P94 Y99 E100 R101	P94-E97 PolarHBondContact O-N 3.02Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 3.05Å; E97-E100 PolarHBondContact O-N 2.93Å; E97-R101 WeakPolarHBondContact O-CG 3.38Å; E97-R101 PolarHBondContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.34Å; E97-R101 IonicContact OE1-NE 3.48Å; E97-R101 PolarHBondContact OE1-NE 3.04Å; E97-R101 IonicContact OE1-NH2 2.68Å; E97-R101 PolarHBondContact OE1-NH2 3.22Å
98	V	95.9	Very high	94.1	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-43.3	174.6	178.6	0	0	0	0	110.3	M60 V83 V89 A93 P94 I95 E100 R101 E102 L109	M60-V98 HydrophobicContact CG-CG2 4.01Å; M60-V98 HydrophobicContact SD-CG2 4.19Å; V83-V98 HydrophobicContact CG1-CG1 4.18Å; V83-V98 HydrophobicContact CG2-CG1 4.05Å; V89-V98 HydrophobicContact CB-CG2 4.26Å; V89-V98 HydrophobicContact CG1-CG1 4.16Å; V89-V98 HydrophobicContact CG1-CG2 4.32Å; V89-V98 HydrophobicContact CG2-CG2 4.25Å; A93-V98 HydrophobicContact CB-CG2 4.16Å; P94-V98 PolarHBondContact O-N 2.9Å; I95-V98 PolarHBondContact O-N 3.08Å; V98-E100 PolarHBondContact O-N 3.29Å; V98-R101 PolarHBondContact O-N 3.41Å; V98-E102 HydrophobicContact CG1-CB 4.37Å; V98-E102 HydrophobicContact CG1-CG 4.33Å; V98-E102 VanDerWaalsContact O-CB 3.25Å; V98-E102 WeakPolarHBondContact O-CB 3.44Å; V98-E102 PolarHBondContact O-N 2.81Å; V98-L109 HydrophobicContact CG1-CD1 4.42Å; V98-L109 HydrophobicContact CG1-CD2 4.12Å
99	Y	97.2	Very high	94.9	Very high	18 Å²	18	57.1 Å²	57.1	7%	0.071	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-43.5	180	177.9	-111.2	0	0	0	113	I31 P32 I95 S96 E97 R101 E102 K103 G107 L109	I31-Y99 HydrophobicContact CD1-CD1 3.87Å; I31-Y99 HydrophobicContact CD1-CE1 4.38Å; I31-Y99 HydrophobicContact CD1-CG 4.15Å; I31-Y99 HydrophobicContact CG2-CD1 4.35Å; I31-Y99 HydrophobicContact CG2-CD2 3.5Å; I31-Y99 HydrophobicContact CG2-CE2 4.08Å; I31-Y99 HydrophobicContact CG2-CG 3.64Å; P32-Y99 HydrophobicContact CG-CE2 4.44Å; I95-Y99 VanDerWaalsContact O-CB 3.28Å; I95-Y99 WeakPolarHBondContact O-CB 3.21Å; I95-Y99 PolarHBondContact O-N 2.99Å; S96-Y99 WeakPolarHBondContact O-CB 3.39Å; S96-Y99 PolarHBondContact O-N 2.84Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 3.05Å; Y99-R101 PolarHBondContact O-N 2.8Å; Y99-E102 PolarHBondContact O-N 3.1Å; Y99-K103 HydrophobicContact CD1-CD 4.47Å; Y99-K103 HydrophobicContact CD2-CB 3.66Å; Y99-K103 HydrophobicContact CD2-CD 4.5Å; Y99-K103 HydrophobicContact CE1-CD 3.98Å; Y99-K103 HydrophobicContact CE2-CB 3.52Å; Y99-K103 HydrophobicContact CE2-CD 4.03Å; Y99-K103 HydrophobicContact CE2-CG 4.41Å; Y99-K103 HydrophobicContact CG-CB 4.41Å; Y99-K103 VanDerWaalsContact O-CB 3.22Å; Y99-K103 WeakPolarHBondContact O-CB 3.44Å; Y99-K103 WeakPolarHBondContact O-CG 3.25Å; Y99-K103 PolarHBondContact O-N 3.08Å; Y99-G107 WeakPolarHBondContact CE2-O 3.17Å; Y99-G107 PolarHBondContact OH-O 3.01Å; Y99-L109 HydrophobicContact CD2-CB 4.01Å
100	E	96.2	Very high	95.6	Very high	149 Å²	149	56.4 Å²	56.4	70%	0.696	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-36	178	-75.2	176	-175.1	0	0	112.7	S96 E97 V98	S96-E100 WeakPolarHBondContact O-CG 3.2Å; S96-E100 PolarHBondContact O-N 2.93Å; E97-E100 PolarHBondContact O-N 2.93Å; V98-E100 PolarHBondContact O-N 3.29Å
101	R	94.3	Very high	96.1	Very high	180 Å²	180	53.2 Å²	53.2	68%	0.679	27%	0.268	S	S	*	.	H	α-helix	trans	-85.8	-34.9	-177.5	-63.1	174.3	-173.3	-128.1	8.2	113.3	E97 V98 Y99	E97-R101 WeakPolarHBondContact O-CG 3.38Å; E97-R101 PolarHBondContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.34Å; E97-R101 IonicContact OE1-NE 3.48Å; E97-R101 PolarHBondContact OE1-NE 3.04Å; E97-R101 IonicContact OE1-NH2 2.68Å; E97-R101 PolarHBondContact OE1-NH2 3.22Å; V98-R101 PolarHBondContact O-N 3.41Å; Y99-R101 PolarHBondContact O-N 2.8Å
102	E	95.9	Very high	96.5	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-122.4	0.1	-162.4	-62.6	-70.2	161.8	0	0	114.4	V83 N84 V98 Y99 L109	V83-E102 HydrophobicContact CG1-CB 3.59Å; V83-E102 HydrophobicContact CG1-CG 3.9Å; N84-E102 PolarHBondContact ND2-O 3.09Å; N84-E102 PolarHBondContact ND2-OE2 2.7Å; N84-E102 PolarHBondContact OD1-O 2.89Å; V98-E102 HydrophobicContact CG1-CB 4.37Å; V98-E102 HydrophobicContact CG1-CG 4.33Å; V98-E102 VanDerWaalsContact O-CB 3.25Å; V98-E102 WeakPolarHBondContact O-CB 3.44Å; V98-E102 PolarHBondContact O-N 2.81Å; Y99-E102 PolarHBondContact O-N 3.1Å; E102-L109 HydrophobicContact CB-CD1 3.88Å
103	K	96.7	Very high	96.6	Very high	107 Å²	107	46.6 Å²	46.6	47%	0.465	23%	0.225	S	C	.	.			trans	-58.5	144.4	175.4	68.1	-174.4	-179.9	-175.8	0	111.4	Y99	Y99-K103 HydrophobicContact CD1-CD 4.47Å; Y99-K103 HydrophobicContact CD2-CB 3.66Å; Y99-K103 HydrophobicContact CD2-CD 4.5Å; Y99-K103 HydrophobicContact CE1-CD 3.98Å; Y99-K103 HydrophobicContact CE2-CB 3.52Å; Y99-K103 HydrophobicContact CE2-CD 4.03Å; Y99-K103 HydrophobicContact CE2-CG 4.41Å; Y99-K103 HydrophobicContact CG-CB 4.41Å; Y99-K103 VanDerWaalsContact O-CB 3.22Å; Y99-K103 WeakPolarHBondContact O-CB 3.44Å; Y99-K103 WeakPolarHBondContact O-CG 3.25Å; Y99-K103 PolarHBondContact O-N 3.08Å
104	D	97.9	Very high	96.6	Very high	42 Å²	42	46 Å²	46	23%	0.225	22%	0.22	C	C	.	.			trans	-74.5	165.9	173.4	-165.8	-104.7	0	0	0	110.6	K8 R16 D106 G107 F108 Y110	K8-D104 IonicContact NZ-OD1 2.96Å; K8-D104 PolarHBondContact NZ-OD1 2.72Å; K8-D104 IonicContact NZ-OD2 3.26Å; K8-D104 PolarHBondContact NZ-OD2 3.35Å; R16-D104 IonicContact NH1-OD1 3.95Å; D104-D106 WeakPolarHBondContact CB-OD1 3.33Å; D104-D106 PolarHBondContact O-N 2.89Å; D104-D106 VanDerWaalsContact O-N 3.1Å; D104-G107 PolarHBondContact O-N 2.9Å; D104-F108 PolarHBondContact N-O 2.93Å; D104-Y110 HydrophobicContact CB-CD2 3.61Å; D104-Y110 HydrophobicContact CB-CE2 3.62Å
105	H	97.8	Very high	96.4	Very high	173 Å²	173	43.8 Å²	43.8	80%	0.801	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19	-179.1	-62.4	164.9	0	0	0	113.9	F13 G107	F13-H105 HydrophobicContact CE2-CB 4.09Å; F13-H105 HydrophobicContact CZ-CB 4.29Å; H105-G107 VanDerWaalsContact C-N 3.29Å
106	D	98.3	Very high	95.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.9	174.3	75.3	-17.2	0	0	0	113.8	F13 R16 V17 V20 D104 F108 Y110	F13-D106 HydrophobicContact CD2-CB 4.05Å; F13-D106 HydrophobicContact CE2-CB 3.76Å; F13-D106 HydrophobicContact CZ-CB 4.48Å; R16-D106 HydrophobicContact CB-CB 3.91Å; R16-D106 VanDerWaalsContact CB-OD2 3.28Å; R16-D106 WeakPolarHBondContact CB-OD2 3.37Å; R16-D106 VanDerWaalsContact CD-OD2 3.27Å; R16-D106 WeakPolarHBondContact CD-OD2 3.35Å; R16-D106 IonicContact CZ-OD2 3.34Å; R16-D106 IonicContact NE-OD2 3.82Å; R16-D106 IonicContact NH1-OD2 2.62Å; R16-D106 PolarHBondContact NH1-OD2 3.02Å; V17-D106 HydrophobicContact CG2-CB 4.17Å; V20-D106 WeakPolarHBondContact CG2-O 3.41Å; D104-D106 WeakPolarHBondContact CB-OD1 3.33Å; D104-D106 PolarHBondContact O-N 2.89Å; D104-D106 VanDerWaalsContact O-N 3.1Å; D106-F108 PolarHBondContact OD1-N 3.12Å; D106-F108 WeakPolarHBondContact OD2-CD2 3.14Å; D106-Y110 PolarHBondContact OD2-OH 2.81Å
107	G	98.1	Very high	95.1	Very high	14 Å²	14	52.7 Å²	52.7	14%	0.144	24%	0.243	C	C	.	.	S	Bend	trans	90	2.8	-178.6	0	0	0	0	0	115.8	Y99 D104 H105	Y99-G107 WeakPolarHBondContact CE2-O 3.17Å; Y99-G107 PolarHBondContact OH-O 3.01Å; D104-G107 PolarHBondContact O-N 2.9Å; H105-G107 VanDerWaalsContact C-N 3.29Å
108	F	98.6	Very high	94.3	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-88.8	149.7	169.8	-81	-82.4	0	0	0	111.4	F7 R16 D19 V20 I23 P32 I34 D104 D106 Y110	F7-F108 AromaticContact CE1-CD2 3.94Å; F7-F108 HydrophobicContact CE1-CD2 3.94Å; F7-F108 AromaticContact CE1-CE2 3.71Å; F7-F108 HydrophobicContact CE1-CE2 3.71Å; F7-F108 HydrophobicContact CE1-CG 4.47Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 HydrophobicContact CZ-CE2 4.05Å; F7-F108 HydrophobicContact CZ-CZ 4.13Å; R16-F108 HydrophobicContact CB-CD2 4.27Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; D19-F108 HydrophobicContact CB-CE2 4.11Å; D19-F108 HydrophobicContact CB-CZ 4.1Å; V20-F108 HydrophobicContact CG2-CD1 4.34Å; V20-F108 HydrophobicContact CG2-CD2 3.35Å; V20-F108 HydrophobicContact CG2-CE1 4.32Å; V20-F108 HydrophobicContact CG2-CE2 3.34Å; V20-F108 HydrophobicContact CG2-CG 3.88Å; V20-F108 HydrophobicContact CG2-CZ 3.84Å; I23-F108 HydrophobicContact CD1-CE1 4.23Å; I23-F108 HydrophobicContact CD1-CZ 4.1Å; P32-F108 HydrophobicContact CB-CD1 3.63Å; P32-F108 HydrophobicContact CB-CE1 3.62Å; P32-F108 HydrophobicContact CG-CD1 4.41Å; I34-F108 HydrophobicContact CD1-CD1 3.72Å; I34-F108 HydrophobicContact CD1-CE1 3.81Å; I34-F108 HydrophobicContact CD1-CG 4.35Å; I34-F108 HydrophobicContact CD1-CZ 4.5Å; I34-F108 HydrophobicContact CG1-CB 4.08Å; I34-F108 HydrophobicContact CG1-CD1 3.62Å; I34-F108 HydrophobicContact CG1-CE1 4.24Å; I34-F108 HydrophobicContact CG1-CG 3.91Å; D104-F108 PolarHBondContact N-O 2.93Å; D106-F108 PolarHBondContact OD1-N 3.12Å; D106-F108 WeakPolarHBondContact OD2-CD2 3.14Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.58Å
109	L	97.9	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.9	162	-168.5	51.5	0	0	0	109.7	P32 V33 I34 V83 I95 V98 Y99 E102 M111	P32-L109 PolarHBondContact O-N 3.02Å; V33-L109 CarbonylContact C-O 3.57Å; V33-L109 WeakPolarHBondContact CA-O 3.15Å; V33-L109 HydrophobicContact CG1-CB 4.26Å; V33-L109 HydrophobicContact CG2-CB 4.22Å; V33-L109 HydrophobicContact CG2-CD2 4.4Å; I34-L109 PolarHBondContact N-O 3.36Å; V83-L109 HydrophobicContact CG1-CD1 3.82Å; I95-L109 HydrophobicContact CD1-CD2 4.4Å; I95-L109 HydrophobicContact CG1-CD2 4.07Å; V98-L109 HydrophobicContact CG1-CD1 4.42Å; V98-L109 HydrophobicContact CG1-CD2 4.12Å; Y99-L109 HydrophobicContact CD2-CB 4.01Å; E102-L109 HydrophobicContact CB-CD1 3.88Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.78Å
110	Y	97.8	Very high	91.5	Very high	24 Å²	24	52.6 Å²	52.6	9%	0.094	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.5	178.2	-72.4	-91.7	0	0	0	111.2	F7 K8 R16 I34 N84 D104 D106 F108	F7-Y110 HydrophobicContact CD1-CE1 4.12Å; K8-Y110 HydrophobicContact CD-CE1 4.31Å; K8-Y110 WeakPolarHBondContact CE-OH 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.8Å; K8-Y110 WeakPolarHBondContact CG-OH 3.31Å; R16-Y110 WeakPolarHBondContact CD-OH 3.38Å; R16-Y110 PolarHBondContact NH1-OH 3.48Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.81Å; I34-Y110 HydrophobicContact CB-CG 4.46Å; I34-Y110 HydrophobicContact CG1-CD1 4.2Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.92Å; I34-Y110 HydrophobicContact CG2-CE1 3.92Å; N84-Y110 PolarHBondContact N-O 2.91Å; D104-Y110 HydrophobicContact CB-CD2 3.61Å; D104-Y110 HydrophobicContact CB-CE2 3.62Å; D106-Y110 PolarHBondContact OD2-OH 2.81Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.58Å
111	M	97.1	Very high	89.7	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.3	173	-54.1	-176	-175.1	0	0	110.8	V33 I34 I35 E36 M60 L63 L81 L82 V83 I95 L109	V33-M111 HydrophobicContact CG1-CE 4.13Å; V33-M111 HydrophobicContact CG1-CG 4.21Å; V33-M111 HydrophobicContact CG1-SD 4.15Å; I34-M111 PolarHBondContact O-N 3.02Å; I35-M111 WeakPolarHBondContact CA-O 3.42Å; I35-M111 HydrophobicContact CG1-CB 4.27Å; E36-M111 PolarHBondContact N-O 3.09Å; E36-M111 VanDerWaalsContact N-O 3.08Å; M60-M111 HydrophobicContact CE-CE 3.88Å; M60-M111 HydrophobicContact CE-SD 4.08Å; M60-M111 HydrophobicContact SD-CE 4.07Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.87Å; L81-M111 HydrophobicContact CD1-CB 3.93Å; L81-M111 HydrophobicContact CD1-SD 4.26Å; L81-M111 HydrophobicContact CD2-SD 3.75Å; L81-M111 HydrophobicContact CG-CB 4.35Å; L81-M111 HydrophobicContact CG-SD 3.91Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.33Å; V83-M111 HydrophobicContact CG2-CE 4.17Å; V83-M111 HydrophobicContact CG2-CG 4.33Å; V83-M111 HydrophobicContact CG2-SD 4.48Å; I95-M111 HydrophobicContact CD1-CE 4.36Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.78Å
112	V	95.5	Very high	87.8	Confident	29 Å²	29	51.8 Å²	51.8	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.1	172.5	-63.6	0	0	0	0	110.9	E36 Y38 L82	E36-V112 CarbonylContact O-C 3.56Å; E36-V112 WeakPolarHBondContact O-CA 3.34Å; Y38-V112 HydrophobicContact CD2-CB 4.32Å; Y38-V112 HydrophobicContact CD2-CG2 3.71Å; L82-V112 HydrophobicContact CB-CG2 3.87Å; L82-V112 HydrophobicContact CD1-CG2 4.24Å; L82-V112 PolarHBondContact N-O 3.48Å; L82-V112 PolarHBondContact O-N 3.2Å
113	Y	94.8	Very high	85.7	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.1	174.4	68.4	-88.1	0	0	0	112.2	I35 E36 R37 Y38 L44 P45 I46 L47 L71 Y80	I35-Y113 HydrophobicContact CG2-CD1 4.04Å; E36-Y113 WeakPolarHBondContact O-CD1 3.28Å; E36-Y113 PolarHBondContact O-N 3.41Å; R37-Y113 VanDerWaalsContact CA-CE1 3.48Å; R37-Y113 HydrophobicContact CB-CE1 3.83Å; R37-Y113 HydrophobicContact CB-CE2 4.03Å; R37-Y113 HydrophobicContact CG-CD2 4.34Å; R37-Y113 HydrophobicContact CG-CE1 4.39Å; R37-Y113 HydrophobicContact CG-CE2 3.68Å; Y38-Y113 VanDerWaalsContact CB-O 3.31Å; Y38-Y113 WeakPolarHBondContact CB-O 3.21Å; Y38-Y113 PolarHBondContact N-O 2.79Å; L44-Y113 HydrophobicContact CB-CD2 4.29Å; L44-Y113 HydrophobicContact CB-CE2 4Å; L44-Y113 HydrophobicContact CD1-CD2 3.84Å; L44-Y113 HydrophobicContact CD1-CE2 4.39Å; P45-Y113 WeakPolarHBondContact O-CE2 3.29Å; P45-Y113 PolarHBondContact O-OH 2.64Å; I46-Y113 WeakPolarHBondContact CA-OH 3.24Å; L47-Y113 HydrophobicContact CD1-CD1 4.14Å; L47-Y113 HydrophobicContact CD1-CE1 3.66Å; L47-Y113 HydrophobicContact CG-CE1 3.88Å; L47-Y113 PolarHBondContact N-OH 3.25Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å; L71-Y113 HydrophobicContact CD1-CD2 3.82Å; L71-Y113 HydrophobicContact CD1-CE2 3.96Å; L71-Y113 HydrophobicContact CD1-CG 4.32Å; L71-Y113 HydrophobicContact CD2-CD2 4.38Å; L71-Y113 HydrophobicContact CD2-CE2 3.67Å; L71-Y113 HydrophobicContact CG-CE2 4.48Å; Y80-Y113 WeakPolarHBondContact O-CA 3.31Å
114	A	93.2	Very high	83.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.6	-179.1	0	0	0	0	0	111.2	Y38 L44 F79 Y80 T118	Y38-A114 HydrophobicContact CG-CB 4.2Å; L44-A114 VanDerWaalsContact CD1-C 3.44Å; F79-A114 CarbonylContact C-O 3.53Å; F79-A114 VanDerWaalsContact CA-O 3.29Å; F79-A114 WeakPolarHBondContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CB-O 3.42Å; Y80-A114 PolarHBondContact N-O 2.89Å; Y80-A114 PolarHBondContact O-N 3.45Å; Y80-A114 VanDerWaalsContact O-N 3.08Å; A114-T118 HydrophobicContact CB-CG2 4.42Å
115	S	91.8	Very high	80.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	163.5	171.6	93.7	0	0	0	0	110.5	E41 E117 T118 F119	E41-S115 WeakPolarHBondContact OE2-CB 3.37Å; E41-S115 PolarHBondContact OE2-N 3.08Å; E41-S115 PolarHBondContact OE2-OG 3.35Å; S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 VanDerWaalsContact CB-OE2 3.24Å; S115-E117 WeakPolarHBondContact CB-OE2 3.09Å; S115-E117 PolarHBondContact O-N 3.27Å; S115-E117 PolarHBondContact OG-N 3.25Å; S115-E117 PolarHBondContact OG-OE2 3.07Å; S115-T118 PolarHBondContact O-N 3.36Å; S115-T118 PolarHBondContact OG-N 2.61Å; S115-T118 PolarHBondContact OG-OG1 2.71Å; S115-F119 PolarHBondContact O-N 3.42Å
116	Q	84.6	Confident	78.2	Confident	102 Å²	102	54.8 Å²	54.8	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-36.1	176.6	-174.2	177.5	2.4	0	0	112.5	A78 Y80 G120	A78-Q116 HydrophobicContact CB-CB 4.29Å; Y80-Q116 HydrophobicContact CE2-CB 4.06Å; Y80-Q116 HydrophobicContact CE2-CG 4.04Å; Q116-G120 WeakPolarHBondContact O-CA 3.42Å; Q116-G120 PolarHBondContact O-N 3.21Å
117	E	81.1	Confident	75.8	Confident	122 Å²	122	66.4 Å²	66.4	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-67.9	-37.6	178.9	-57.6	79.8	-175.5	0	0	112	S115 R121	S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 VanDerWaalsContact CB-OE2 3.24Å; S115-E117 WeakPolarHBondContact CB-OE2 3.09Å; S115-E117 PolarHBondContact O-N 3.27Å; S115-E117 PolarHBondContact OG-N 3.25Å; S115-E117 PolarHBondContact OG-OE2 3.07Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.8Å
118	T	79.8	Confident	73.2	Confident	19 Å²	19	66.6 Å²	66.6	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-70.2	-48.7	177.5	-59.1	0	0	0	0	110.6	Y38 E41 A114 S115 R121	Y38-T118 HydrophobicContact CD1-CG2 3.92Å; Y38-T118 HydrophobicContact CE1-CG2 4.37Å; E41-T118 HydrophobicContact CB-CG2 4.31Å; E41-T118 WeakPolarHBondContact OE2-CB 3.49Å; E41-T118 PolarHBondContact OE2-OG1 3.21Å; A114-T118 HydrophobicContact CB-CG2 4.42Å; S115-T118 PolarHBondContact O-N 3.36Å; S115-T118 PolarHBondContact OG-N 2.61Å; S115-T118 PolarHBondContact OG-OG1 2.71Å; T118-R121 PolarHBondContact O-N 3.21Å
119	F	70.2	Confident	70.6	Confident	50 Å²	50	71.9 Å²	71.9	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-68.6	-42.8	179.6	-172.2	-105	0	0	0	112.4	Y80 L82 S115 R121 H122 S123	Y80-F119 HydrophobicContact CD2-CB 3.77Å; Y80-F119 HydrophobicContact CD2-CD1 4Å; Y80-F119 HydrophobicContact CD2-CG 4.02Å; Y80-F119 HydrophobicContact CE2-CB 4.1Å; Y80-F119 AromaticContact CE2-CD1 3.92Å; Y80-F119 HydrophobicContact CE2-CD1 3.92Å; Y80-F119 HydrophobicContact CE2-CG 4.32Å; L82-F119 HydrophobicContact CD1-CD2 3.81Å; L82-F119 HydrophobicContact CD1-CE2 3.85Å; L82-F119 HydrophobicContact CD2-CD2 4.4Å; L82-F119 HydrophobicContact CD2-CE2 3.95Å; L82-F119 HydrophobicContact CD2-CZ 4.38Å; S115-F119 PolarHBondContact O-N 3.42Å; F119-R121 PolarHBondContact O-N 3.38Å; F119-H122 PolarHBondContact O-N 2.97Å; F119-S123 PolarHBondContact O-N 2.98Å; F119-S123 PolarHBondContact O-OG 3.16Å
120	G	63.4	Low	67.9	Low	27 Å²	27	77.5 Å²	77.5	28%	0.278	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-25.1	179	0	0	0	0	0	114.4	Q116 S123 R124	Q116-G120 WeakPolarHBondContact O-CA 3.42Å; Q116-G120 PolarHBondContact O-N 3.21Å; G120-S123 WeakPolarHBondContact CA-OG 3.38Å; G120-S123 PolarHBondContact O-OG 3.34Å; G120-R124 WeakPolarHBondContact O-CG 3.38Å
121	R	58.8	Low	65.1	Low	206 Å²	206	81.1 Å²	81.1	78%	0.777	42%	0.423	S	S	*	.	H	α-helix	trans	-75.9	-31.4	171.8	-82.8	178	161	-164.3	-4.3	112.9	E117 T118 F119	E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.8Å; T118-R121 PolarHBondContact O-N 3.21Å; F119-R121 PolarHBondContact O-N 3.38Å
122	H	54	Low	62.4	Low	106 Å²	106	87 Å²	87	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-84.1	-31.7	179.1	-76.7	24.6	0	0	0	112.6	Y38 F119 R124 G125	Y38-H122 AromaticContact CE1-CD2 3.96Å; Y38-H122 AromaticContact CE1-NE2 3.99Å; Y38-H122 AromaticContact CZ-CD2 3.99Å; Y38-H122 PolarHBondContact OH-CD2 3.21Å; F119-H122 PolarHBondContact O-N 2.97Å; H122-R124 PolarHBondContact O-N 3.5Å; H122-G125 PolarHBondContact O-N 3.34Å; H122-G125 VanDerWaalsContact O-N 3.16Å
123	S	52.8	Low	59.8	Low	44 Å²	44	92.3 Å²	92.3	31%	0.308	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.2	172.9	54.6	0	0	0	0	114.3	F119 G120 G128	F119-S123 PolarHBondContact O-N 2.98Å; F119-S123 PolarHBondContact O-OG 3.16Å; G120-S123 WeakPolarHBondContact CA-OG 3.38Å; G120-S123 PolarHBondContact O-OG 3.34Å; S123-G128 WeakPolarHBondContact O-CA 3.46Å
124	R	47.7	Very low	57.1	Low	233 Å²	233	103.6 Å²	103.6	88%	0.879	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	4.1	169	-68.9	-173.3	177.5	-162.2	0.1	113.8	G120 H122	G120-R124 WeakPolarHBondContact O-CG 3.38Å; H122-R124 PolarHBondContact O-N 3.5Å
125	G	44.4	Very low	55.3	Low	30 Å²	30	108.8 Å²	108.8	31%	0.309	58%	0.58	S	S	.	*	S	Bend	trans	-78.2	170.7	168.1	0	0	0	0	0	111.5	H122 W127 G128	H122-G125 PolarHBondContact O-N 3.34Å; H122-G125 VanDerWaalsContact O-N 3.16Å; G125-W127 PolarHBondContact O-N 3.17Å; G125-G128 PolarHBondContact O-N 3.04Å
126	P	41.5	Very low	53.4	Low	131 Å²	131	114.4 Å²	114.4	85%	0.851	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	0.4	-177.7	24.8	-32.1	0	0	0	114.8
127	W	48.5	Very low	51.7	Low	247 Å²	247	115.1 Å²	115.1	94%	0.936	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	10.5	179.9	-57.3	98.7	0	0	0	113.3	G125	G125-W127 PolarHBondContact O-N 3.17Å
128	G	43.8	Very low	49.9	Very low	19 Å²	19	114.7 Å²	114.7	20%	0.196	62%	0.621	C	S	.	*	S	Bend	trans	-69.2	151.1	170.9	0	0	0	0	0	111.5	S123 G125 S130	S123-G128 WeakPolarHBondContact O-CA 3.46Å; G125-G128 PolarHBondContact O-N 3.04Å; G128-S130 PolarHBondContact O-N 3.04Å
129	P	43.6	Very low	48.1	Very low	114 Å²	114	120.7 Å²	120.7	74%	0.74	65%	0.652	S	S	*	*			trans	-58.3	119.2	170.5	25.4	-30.5	0	0	0	107.2	S131	P129-S131 PolarHBondContact O-N 2.84Å; P129-S131 VanDerWaalsContact O-N 3.17Å
130	S	40.9	Very low	46.6	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	68%	0.681	S	S	*	*			trans	-44	125.6	178.7	-55.2	0	0	0	0	108.9	G128	G128-S130 PolarHBondContact O-N 3.04Å
131	S	40.3	Very low	45.4	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-48.7	138.5	173.4	-65.8	0	0	0	0	108.6	P129 V133	P129-S131 PolarHBondContact O-N 2.84Å; P129-S131 VanDerWaalsContact O-N 3.17Å; S131-V133 PolarHBondContact O-N 3.02Å
132	P	39.8	Very low	44.4	Very low	126 Å²	126	126.8 Å²	126.8	82%	0.818	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59	119.8	173.2	3.7	3.6	0	0	0	106.9	L134	P132-L134 PolarHBondContact O-N 3.25Å
133	V	41.1	Very low	43.6	Very low	141 Å²	141	128.5 Å²	128.5	86%	0.855	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.6	169.3	-172.6	0	0	0	0	105.4	S131	S131-V133 PolarHBondContact O-N 3.02Å
134	L	38.5	Very low	42.7	Very low	239 Å²	239	136.2 Å²	136.2	100%	1.251	76%	0.76	S	S	*	*			trans	-58.3	0	169.7	-72.4	173.9	0	0	0	110.4	P132	P132-L134 PolarHBondContact O-N 3.25Å

Retrieved 134 of 134 residues in 100.8 ms (Link to these results)

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