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N-alpha-acetyltransferase 60

N-alpha-acetyltransferase that specifically mediates the acetylation of N-terminal residues of the transmembrane proteins, with a strong preference for N-termini facing the cytosol. Displays N-terminal acetyltransferase activity towards a range of N-terminal sequences including those starting with Met-Lys, Met-Val, Met-Ala and Met-Met. Required for normal chromosomal segregation during anaphase. May also show histone acetyltransferase activity; such results are however unclear in vivo and would require additional experimental evidences.

AlphaFold DB , UniProt , Accession H3BJW5, Species MOUSE (Mus musculus, Mouse), Gene Naa60, Length 166 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	32.4	Very low	53.1	Low	242 Å²	242	100 Å²	100	100%	1.192	59%	0.585	S	S	*	*				0	96.2	0	-165.7	161.9	179.6	0	0	106.1	E3	M1-E3 PolarHBondContact O-N 3.35Å
2	T	40.1	Very low	55.2	Low	133 Å²	133	99 Å²	99	82%	0.816	57%	0.57	S	S	*	*			trans	-80.5	105.4	180	42.7	0	0	0	0	107.6	V4	T2-V4 PolarHBondContact O-N 3.16Å; T2-V4 VanDerWaalsContact O-N 3.16Å
3	E	47.9	Very low	57.2	Low	155 Å²	155	94.2 Å²	94.2	72%	0.724	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-60.9	117.7	172.1	-72.8	-149	149.8	0	0	108.7	M1 V5	M1-E3 PolarHBondContact O-N 3.35Å; E3-V5 PolarHBondContact O-N 3.2Å
4	V	53.6	Low	59.1	Low	119 Å²	119	92.1 Å²	92.1	72%	0.721	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-70	116.1	170.6	177.9	0	0	0	0	106.3	T2 P6	T2-V4 PolarHBondContact O-N 3.16Å; T2-V4 VanDerWaalsContact O-N 3.16Å; V4-P6 VanDerWaalsContact O-CD 3.3Å; V4-P6 WeakPolarHBondContact O-CD 3.49Å
5	V	55.1	Low	60.8	Low	16 Å²	16	89.9 Å²	89.9	10%	0.097	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-60.3	118.1	178.9	178.5	0	0	0	0	108.1	E3 A9 E106 F107 H110	E3-V5 PolarHBondContact O-N 3.2Å; V5-A9 HydrophobicContact CG1-CB 3.3Å; V5-E106 HydrophobicContact CG2-CB 4.31Å; V5-F107 HydrophobicContact CG1-CD1 4.38Å; V5-F107 HydrophobicContact CG1-CE1 3.96Å; V5-F107 HydrophobicContact CG1-CZ 4.11Å; V5-F107 HydrophobicContact CG2-CD2 4.29Å; V5-F107 HydrophobicContact CG2-CE2 3.93Å; V5-F107 HydrophobicContact CG2-CZ 4.11Å; V5-H110 PolarHBondContact O-CD2 3.42Å
6	P	59.4	Low	62.7	Low	55 Å²	55	89.6 Å²	89.6	36%	0.357	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-61.8	150.8	-177.4	-21.3	31.7	0	0	0	111.6	V4 S8 A9	V4-P6 VanDerWaalsContact O-CD 3.3Å; V4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-S8 PolarHBondContact O-N 3.29Å; P6-S8 VanDerWaalsContact O-N 3.07Å; P6-A9 WeakPolarHBondContact O-CB 3.3Å; P6-A9 PolarHBondContact O-N 3.18Å
7	S	54.7	Low	64.5	Low	122 Å²	122	90.5 Å²	90.5	85%	0.853	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.2	172.8	41.8	0	0	0	0	113.7	A9	S7-A9 VanDerWaalsContact C-N 3.32Å
8	S	58.3	Low	66.2	Low	60 Å²	60	86.3 Å²	86.3	42%	0.42	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.8	171.1	61.1	0	0	0	0	114.3	P6 L10 S11	P6-S8 PolarHBondContact O-N 3.29Å; P6-S8 VanDerWaalsContact O-N 3.07Å; S8-L10 PolarHBondContact O-N 3.32Å; S8-S11 PolarHBondContact O-N 3.42Å
9	A	59	Low	67.8	Low	5 Å²	5	84.5 Å²	84.5	4%	0.041	48%	0.48	C	S	.	.	H	α-helix	trans	-60.4	-31.8	-173.1	0	0	0	0	0	113	V5 P6 S7 S11 E12 V13 Y59	V5-A9 HydrophobicContact CG1-CB 3.3Å; P6-A9 WeakPolarHBondContact O-CB 3.3Å; P6-A9 PolarHBondContact O-N 3.18Å; S7-A9 VanDerWaalsContact C-N 3.32Å; A9-S11 VanDerWaalsContact C-N 3.31Å; A9-S11 PolarHBondContact O-N 3.28Å; A9-E12 PolarHBondContact O-N 3Å; A9-E12 VanDerWaalsContact O-N 3.15Å; A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.48Å; A9-Y59 HydrophobicContact CB-CD2 4.29Å; A9-Y59 HydrophobicContact CB-CE2 3.69Å
10	L	59.5	Low	69.3	Low	78 Å²	78	85.8 Å²	85.8	41%	0.408	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-37.6	175.8	-86.2	167.1	0	0	0	113.3	S8 E12 V13 I112	S8-L10 PolarHBondContact O-N 3.32Å; L10-E12 PolarHBondContact O-N 2.75Å; L10-V13 PolarHBondContact O-N 3.06Å; L10-I112 HydrophobicContact CD2-CB 4.43Å; L10-I112 HydrophobicContact CD2-CD1 3.97Å; L10-I112 HydrophobicContact CD2-CG1 3.61Å; L10-I112 HydrophobicContact CG-CG1 4.14Å
11	S	64.4	Low	70.6	Confident	115 Å²	115	88.2 Å²	88.2	80%	0.804	49%	0.494	S	S	*	.	H	α-helix	trans	-73	-18.5	179.3	-57.1	0	0	0	0	113.1	S8 A9	S8-S11 PolarHBondContact O-N 3.42Å; A9-S11 VanDerWaalsContact C-N 3.31Å; A9-S11 PolarHBondContact O-N 3.28Å
12	E	78	Confident	73.8	Confident	88 Å²	88	77.3 Å²	77.3	41%	0.411	44%	0.44	S	S	.	.	H	α-helix	trans	-96.9	-7.2	177.8	-74.9	174.2	-156.9	0	0	112.4	A9 L10 S14 Y59 R60	A9-E12 PolarHBondContact O-N 3Å; A9-E12 VanDerWaalsContact O-N 3.15Å; L10-E12 PolarHBondContact O-N 2.75Å; E12-S14 PolarHBondContact O-N 2.96Å; E12-Y59 HydrophobicContact CB-CD2 3.89Å; E12-Y59 HydrophobicContact CB-CE2 3.58Å; E12-Y59 HydrophobicContact CG-CE2 4.4Å; E12-Y59 WeakPolarHBondContact OE2-CE2 3.49Å; E12-Y59 PolarHBondContact OE2-OH 3.07Å; E12-R60 IonicContact OE2-NE 3.94Å; E12-R60 PolarHBondContact OE2-NE 3.39Å; E12-R60 IonicContact OE2-NH2 3.94Å
13	V	81.1	Confident	76.5	Confident	36 Å²	36	72.3 Å²	72.3	22%	0.218	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.4	174.8	172.3	0	0	0	0	109.2	A9 L10 A57 T58 Y59	A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.48Å; L10-V13 PolarHBondContact O-N 3.06Å; V13-A57 HydrophobicContact CG1-CB 3.89Å; V13-T58 CarbonylContact C-O 3.59Å; V13-T58 VanDerWaalsContact CA-O 3.28Å; V13-T58 WeakPolarHBondContact CA-O 3.31Å; V13-Y59 HydrophobicContact CG2-CD2 4.22Å
14	S	84.1	Confident	78.9	Confident	65 Å²	65	71.1 Å²	71.1	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.2	173.5	72.3	0	0	0	0	111.2	E12 T58	E12-S14 PolarHBondContact O-N 2.96Å; S14-T58 PolarHBondContact N-O 3.31Å; S14-T58 PolarHBondContact O-N 2.9Å; S14-T58 PolarHBondContact O-OG1 2.78Å; S14-T58 VanDerWaalsContact O-OG1 3.11Å; S14-T58 PolarHBondContact OG-OG1 3.39Å
15	L	85.1	Confident	81	Confident	59 Å²	59	68.6 Å²	68.6	31%	0.309	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.8	-179.8	-59.7	179.3	0	0	0	110.3	L55 A56 A57 Y117 H120	L15-L55 HydrophobicContact CB-CD1 4.49Å; L15-L55 HydrophobicContact CB-CD2 4.07Å; L15-L55 HydrophobicContact CB-CG 4.4Å; L15-L55 HydrophobicContact CD1-CD2 3.95Å; L15-L55 HydrophobicContact CD2-CD2 4.25Å; L15-L55 HydrophobicContact CG-CD2 4.32Å; L15-A56 WeakPolarHBondContact CA-O 3.28Å; L15-A57 HydrophobicContact CD2-CB 3.94Å; L15-Y117 HydrophobicContact CD2-CE2 4.34Å; L15-H120 VanDerWaalsContact CD1-CD2 3.45Å; L15-H120 WeakPolarHBondContact CD1-CD2 3.48Å
16	R	91.3	Very high	82.9	Confident	86 Å²	86	67.8 Å²	67.8	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.7	171.4	65.7	171.5	-176.4	80.4	-4.9	111	D22 L55 A56 T58	R16-D22 IonicContact CZ-OD1 3.58Å; R16-D22 IonicContact CZ-OD2 3.5Å; R16-D22 IonicContact NH1-OD1 3.54Å; R16-D22 IonicContact NH1-OD2 2.71Å; R16-D22 PolarHBondContact NH1-OD2 3.23Å; R16-D22 IonicContact NH2-OD1 2.7Å; R16-D22 PolarHBondContact NH2-OD1 3.17Å; R16-D22 IonicContact NH2-OD2 3.39Å; R16-D22 PolarHBondContact NH2-OD2 3.43Å; R16-L55 WeakPolarHBondContact O-CD1 3.27Å; R16-A56 PolarHBondContact N-O 2.88Å; R16-A56 PolarHBondContact O-N 3.14Å; R16-T58 HydrophobicContact CG-CG2 4.14Å
17	L	93.3	Very high	84.7	Confident	105 Å²	105	68.8 Å²	68.8	55%	0.55	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.4	170.7	-65.5	173.2	0	0	0	110.2	F53 S54 L55	L17-F53 HydrophobicContact CD2-CD2 4.46Å; L17-F53 HydrophobicContact CD2-CE2 4.2Å; L17-S54 CarbonylContact C-O 3.57Å; L17-S54 VanDerWaalsContact CA-O 3.31Å; L17-S54 WeakPolarHBondContact CA-O 3.35Å; L17-S54 WeakPolarHBondContact CD2-O 2.87Å; L17-L55 HydrophobicContact CD2-CD1 3.96Å; L17-L55 HydrophobicContact CG-CD1 4.47Å
18	L	94.9	Very high	86.6	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.073	37%	0.373	C	S	.	.			trans	-64	146.3	166.8	-69.4	-177.4	0	0	0	109.9	D22 V26 I46 T47 S54 A56 I63 M66 V68	L18-D22 WeakPolarHBondContact CA-OD2 3.06Å; L18-D22 HydrophobicContact CD2-CB 4.01Å; L18-V26 HydrophobicContact CD1-CG2 3.99Å; L18-V26 HydrophobicContact CD2-CG2 3.86Å; L18-I46 HydrophobicContact CD1-CD1 4.45Å; L18-T47 HydrophobicContact CB-CG2 4.33Å; L18-T47 HydrophobicContact CD1-CG2 4.39Å; L18-S54 PolarHBondContact N-O 3.4Å; L18-A56 HydrophobicContact CD2-CB 3.7Å; L18-A56 HydrophobicContact CG-CB 4.46Å; L18-I63 HydrophobicContact CD2-CD1 3.91Å; L18-M66 HydrophobicContact CD1-SD 4.23Å; L18-V68 HydrophobicContact CD1-CG2 4.49Å
19	C	96.4	Very high	88.3	Confident	52 Å²	52	66.8 Å²	66.8	35%	0.351	36%	0.356	S	S	.	.			trans	-127.2	171.9	171.5	67.5	0	0	0	0	110.8	D21 D22 T47	C19-D21 PolarHBondContact O-N 2.94Å; C19-D22 PolarHBondContact N-OD2 3.12Å; C19-D22 WeakPolarHBondContact O-CB 3.5Å; C19-D22 PolarHBondContact O-N 3.36Å; C19-D22 PolarHBondContact SG-OD2 3.42Å; C19-T47 CarbonylContact C-O 3.59Å; C19-T47 WeakPolarHBondContact CA-O 3.45Å; C19-T47 WeakPolarHBondContact O-CB 3.29Å
20	H	97.3	Very high	89.9	Confident	111 Å²	111	66.5 Å²	66.5	51%	0.514	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-53.1	-36.8	-179.3	-174.7	74.4	0	0	0	113.5	D22 I23 S48	H20-D22 PolarHBondContact O-N 2.94Å; H20-I23 WeakPolarHBondContact O-CD1 3.35Å; H20-I23 WeakPolarHBondContact O-CG1 3.1Å; H20-I23 PolarHBondContact O-N 2.81Å; H20-S48 PolarHBondContact ND1-OG 3.23Å
21	D	97.7	Very high	91.3	Very high	137 Å²	137	65.3 Å²	65.3	73%	0.733	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.6	-178.1	-57.3	-26.5	0	0	0	112.9	C19 I23	C19-D21 PolarHBondContact O-N 2.94Å; D21-I23 VanDerWaalsContact C-N 3.34Å
22	D	97.8	Very high	92.5	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.064	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-82.7	-7.8	179.7	-62.9	-45.5	0	0	0	113.6	R16 L18 C19 H20 D24 T25 V26 I63	R16-D22 IonicContact CZ-OD1 3.58Å; R16-D22 IonicContact CZ-OD2 3.5Å; R16-D22 IonicContact NH1-OD1 3.54Å; R16-D22 IonicContact NH1-OD2 2.71Å; R16-D22 PolarHBondContact NH1-OD2 3.23Å; R16-D22 IonicContact NH2-OD1 2.7Å; R16-D22 PolarHBondContact NH2-OD1 3.17Å; R16-D22 IonicContact NH2-OD2 3.39Å; R16-D22 PolarHBondContact NH2-OD2 3.43Å; L18-D22 WeakPolarHBondContact CA-OD2 3.06Å; L18-D22 HydrophobicContact CD2-CB 4.01Å; C19-D22 PolarHBondContact N-OD2 3.12Å; C19-D22 WeakPolarHBondContact O-CB 3.5Å; C19-D22 PolarHBondContact O-N 3.36Å; C19-D22 PolarHBondContact SG-OD2 3.42Å; H20-D22 PolarHBondContact O-N 2.94Å; D22-D24 PolarHBondContact O-N 3.04Å; D22-T25 PolarHBondContact O-N 3.5Å; D22-T25 VanDerWaalsContact O-N 3.12Å; D22-V26 HydrophobicContact CB-CG2 4.07Å; D22-V26 WeakPolarHBondContact O-CB 3.35Å; D22-V26 VanDerWaalsContact O-CG2 3.31Å; D22-V26 WeakPolarHBondContact O-CG2 3.28Å; D22-V26 PolarHBondContact O-N 2.84Å; D22-I63 HydrophobicContact CB-CD1 4.06Å
23	I	97.8	Very high	92.9	Very high	28 Å²	28	62.5 Å²	62.5	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-50.8	-51.3	-171	-75.1	168.2	0	0	0	112.4	H20 D21 T25 V26 K27 R44 T47	H20-I23 WeakPolarHBondContact O-CD1 3.35Å; H20-I23 WeakPolarHBondContact O-CG1 3.1Å; H20-I23 PolarHBondContact O-N 2.81Å; D21-I23 VanDerWaalsContact C-N 3.34Å; I23-T25 VanDerWaalsContact C-N 3.35Å; I23-T25 PolarHBondContact O-N 3.34Å; I23-V26 PolarHBondContact O-N 2.77Å; I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 3.16Å; I23-R44 HydrophobicContact CD1-CG 3.91Å; I23-T47 HydrophobicContact CG1-CG2 3.84Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.01Å
24	D	97.8	Very high	93.2	Very high	131 Å²	131	63.1 Å²	63.1	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-67.2	-38.9	-175.7	-68.1	-29.7	0	0	0	111.6	D22 K27 H28	D22-D24 PolarHBondContact O-N 3.04Å; D24-K27 PolarHBondContact O-N 3.27Å; D24-H28 PolarHBondContact O-N 3.37Å
25	T	97.4	Very high	93.3	Very high	65 Å²	65	66.5 Å²	66.5	40%	0.399	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-46.1	176.5	-60.6	0	0	0	0	110.6	D22 I23 H28 L29 I63	D22-T25 PolarHBondContact O-N 3.5Å; D22-T25 VanDerWaalsContact O-N 3.12Å; I23-T25 VanDerWaalsContact C-N 3.35Å; I23-T25 PolarHBondContact O-N 3.34Å; T25-H28 PolarHBondContact O-N 2.98Å; T25-L29 HydrophobicContact CG2-CD1 3.99Å; T25-L29 HydrophobicContact CG2-CG 4.49Å; T25-L29 WeakPolarHBondContact O-CB 3.49Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 3.17Å; T25-I63 HydrophobicContact CG2-CB 4.2Å; T25-I63 HydrophobicContact CG2-CD1 4.09Å; T25-I63 HydrophobicContact CG2-CG1 4.4Å
26	V	96.3	Very high	93.2	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.3	-40.5	179.5	173	0	0	0	0	111.1	L18 D22 I23 L29 C30 Y43 I46 I63 M66	L18-V26 HydrophobicContact CD1-CG2 3.99Å; L18-V26 HydrophobicContact CD2-CG2 3.86Å; D22-V26 HydrophobicContact CB-CG2 4.07Å; D22-V26 WeakPolarHBondContact O-CB 3.35Å; D22-V26 VanDerWaalsContact O-CG2 3.31Å; D22-V26 WeakPolarHBondContact O-CG2 3.28Å; D22-V26 PolarHBondContact O-N 2.84Å; I23-V26 PolarHBondContact O-N 2.77Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-C30 VanDerWaalsContact O-CB 3.32Å; V26-C30 WeakPolarHBondContact O-CB 3.4Å; V26-C30 PolarHBondContact O-N 3.07Å; V26-C30 PolarHBondContact O-SG 3.45Å; V26-Y43 HydrophobicContact CG1-CD1 3.88Å; V26-Y43 HydrophobicContact CG1-CE1 4.07Å; V26-I46 HydrophobicContact CG1-CD1 3.96Å; V26-I63 HydrophobicContact CG2-CD1 4.41Å; V26-M66 HydrophobicContact CG1-CE 3.82Å; V26-M66 HydrophobicContact CG1-SD 3.65Å; V26-M66 HydrophobicContact CG2-SD 4.21Å
27	K	96.4	Very high	92.9	Very high	75 Å²	75	72.6 Å²	72.6	33%	0.326	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-44	176.7	-175	169.9	-179	176.2	0	111.7	I23 D24 G31 D40 Y43	I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 3.16Å; D24-K27 PolarHBondContact O-N 3.27Å; K27-G31 PolarHBondContact O-N 2.64Å; K27-G31 VanDerWaalsContact O-N 3.11Å; K27-D40 IonicContact NZ-OD1 3.49Å; K27-D40 PolarHBondContact NZ-OD1 3.44Å; K27-Y43 HydrophobicContact CB-CD1 4.3Å; K27-Y43 HydrophobicContact CB-CD2 4.41Å; K27-Y43 HydrophobicContact CB-CE1 4.09Å; K27-Y43 HydrophobicContact CB-CE2 4.19Å; K27-Y43 HydrophobicContact CB-CG 4.45Å; K27-Y43 HydrophobicContact CD-CD2 4.29Å; K27-Y43 HydrophobicContact CD-CE2 4.12Å; K27-Y43 HydrophobicContact CG-CD2 4.28Å; K27-Y43 HydrophobicContact CG-CE1 4.46Å; K27-Y43 HydrophobicContact CG-CE2 3.78Å
28	H	95.6	Very high	92.8	Very high	125 Å²	125	69.9 Å²	69.9	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-51	175.6	-177.8	55.5	0	0	0	111.7	D24 T25 C30 G31 D32	D24-H28 PolarHBondContact O-N 3.37Å; T25-H28 PolarHBondContact O-N 2.98Å; H28-C30 PolarHBondContact O-N 3.49Å; H28-G31 PolarHBondContact O-N 2.88Å; H28-G31 VanDerWaalsContact O-N 3.12Å; H28-D32 IonicContact NE2-OD2 2.68Å; H28-D32 PolarHBondContact O-N 2.68Å
29	L	93.4	Very high	92.8	Very high	15 Å²	15	73 Å²	73	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-61.5	-41.8	179.7	-71.2	175.1	0	0	0	112.8	T25 V26 G31 D32 W33 I63 V104	T25-L29 HydrophobicContact CG2-CD1 3.99Å; T25-L29 HydrophobicContact CG2-CG 4.49Å; T25-L29 WeakPolarHBondContact O-CB 3.49Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 3.17Å; V26-L29 PolarHBondContact O-N 2.85Å; L29-G31 VanDerWaalsContact C-N 3.3Å; L29-G31 PolarHBondContact O-N 3.07Å; L29-D32 PolarHBondContact O-N 3.37Å; L29-W33 HydrophobicContact CB-CD2 4.26Å; L29-W33 HydrophobicContact CB-CE3 4.23Å; L29-W33 HydrophobicContact CB-CH2 3.8Å; L29-W33 HydrophobicContact CB-CZ2 3.79Å; L29-W33 HydrophobicContact CB-CZ3 3.99Å; L29-W33 HydrophobicContact CD1-CH2 3.83Å; L29-W33 HydrophobicContact CD1-CZ2 3.95Å; L29-W33 HydrophobicContact CD2-CZ2 3.9Å; L29-W33 HydrophobicContact CG-CH2 4.29Å; L29-W33 HydrophobicContact CG-CZ2 4.11Å; L29-W33 WeakPolarHBondContact O-CB 3.31Å; L29-W33 VanDerWaalsContact O-CD2 3.3Å; L29-W33 PolarHBondContact O-N 3.11Å; L29-I63 HydrophobicContact CD1-CB 3.97Å; L29-I63 HydrophobicContact CD1-CG2 3.68Å; L29-V104 HydrophobicContact CD2-CG1 3.54Å
30	C	92	Very high	92.8	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60.4	-39.8	174.5	-83.1	0	0	0	0	112.3	V26 H28 D32 W33 F34 Y43 M66	V26-C30 VanDerWaalsContact O-CB 3.32Å; V26-C30 WeakPolarHBondContact O-CB 3.4Å; V26-C30 PolarHBondContact O-N 3.07Å; V26-C30 PolarHBondContact O-SG 3.45Å; H28-C30 PolarHBondContact O-N 3.49Å; C30-D32 PolarHBondContact O-N 3.05Å; C30-W33 PolarHBondContact O-N 2.87Å; C30-F34 HydrophobicContact CB-CD2 4.35Å; C30-F34 PolarHBondContact O-N 3.46Å; C30-Y43 HydrophobicContact CB-CE1 3.97Å; C30-Y43 WeakPolarHBondContact CB-OH 3.27Å; C30-M66 WeakPolarHBondContact SG-CE 3.36Å
31	G	90.3	Very high	92.7	Very high	52 Å²	52	71.7 Å²	71.7	54%	0.536	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-32.1	175.9	0	0	0	0	0	113.2	K27 H28 L29	K27-G31 PolarHBondContact O-N 2.64Å; K27-G31 VanDerWaalsContact O-N 3.11Å; H28-G31 PolarHBondContact O-N 2.88Å; H28-G31 VanDerWaalsContact O-N 3.12Å; L29-G31 VanDerWaalsContact C-N 3.3Å; L29-G31 PolarHBondContact O-N 3.07Å
32	D	89.6	Confident	92.6	Very high	114 Å²	114	67 Å²	67	61%	0.61	36%	0.364	S	S	*	.	H	α-helix	trans	-81.6	-32.4	175.3	-70.1	-18	0	0	0	113	H28 L29 C30	H28-D32 IonicContact NE2-OD2 2.68Å; H28-D32 PolarHBondContact O-N 2.68Å; L29-D32 PolarHBondContact O-N 3.37Å; C30-D32 PolarHBondContact O-N 3.05Å
33	W	86.6	Confident	92.6	Very high	30 Å²	30	66.7 Å²	66.7	11%	0.114	36%	0.362	C	S	.	.	H	α-helix	trans	-85.3	-34.2	-173.3	-64.9	-11.9	0	0	0	113.7	L29 C30 M66 V103 V104	L29-W33 HydrophobicContact CB-CD2 4.26Å; L29-W33 HydrophobicContact CB-CE3 4.23Å; L29-W33 HydrophobicContact CB-CH2 3.8Å; L29-W33 HydrophobicContact CB-CZ2 3.79Å; L29-W33 HydrophobicContact CB-CZ3 3.99Å; L29-W33 HydrophobicContact CD1-CH2 3.83Å; L29-W33 HydrophobicContact CD1-CZ2 3.95Å; L29-W33 HydrophobicContact CD2-CZ2 3.9Å; L29-W33 HydrophobicContact CG-CH2 4.29Å; L29-W33 HydrophobicContact CG-CZ2 4.11Å; L29-W33 WeakPolarHBondContact O-CB 3.31Å; L29-W33 VanDerWaalsContact O-CD2 3.3Å; L29-W33 PolarHBondContact O-N 3.11Å; C30-W33 PolarHBondContact O-N 2.87Å; W33-M66 HydrophobicContact CE3-CE 4.32Å; W33-M66 HydrophobicContact CH2-CG 4.21Å; W33-M66 HydrophobicContact CZ3-CE 3.81Å; W33-M66 HydrophobicContact CZ3-CG 3.69Å; W33-M66 HydrophobicContact CZ3-SD 3.95Å; W33-V103 PolarHBondContact NE1-O 3.46Å; W33-V104 HydrophobicContact CZ2-CG1 4Å
34	F	86.4	Confident	92.6	Very high	49 Å²	49	71.2 Å²	71.2	22%	0.215	38%	0.377	C	S	.	.			trans	-127.3	138	-171.6	-51.8	-70.9	0	0	0	110.8	C30 I36 Y38 S100 L101	C30-F34 HydrophobicContact CB-CD2 4.35Å; C30-F34 PolarHBondContact O-N 3.46Å; F34-I36 PolarHBondContact O-N 2.86Å; F34-Y38 HydrophobicContact CD2-CE2 4.25Å; F34-S100 WeakPolarHBondContact CE2-OG 3.15Å; F34-S100 WeakPolarHBondContact CZ-OG 3.49Å; F34-L101 WeakPolarHBondContact CZ-O 3.45Å
35	P	85.8	Confident	92.5	Very high	136 Å²	136	68.6 Å²	68.6	88%	0.883	36%	0.363	S	S	*	.	S	Bend	trans	-78.3	26.8	177.2	34.9	-37	0	0	0	112.7
36	I	83.4	Confident	92.4	Very high	105 Å²	105	65.6 Å²	65.6	54%	0.538	34%	0.344	S	S	.	.	S	Bend	trans	-133	137.1	-173.7	-54.5	175.6	0	0	0	108.8	F34	F34-I36 PolarHBondContact O-N 2.86Å
37	E	85.3	Confident	92.4	Very high	169 Å²	169	66 Å²	66	79%	0.79	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-93.6	123.7	175.1	-168.2	172.4	-170	0	0	110.8
38	Y	91.8	Very high	92.3	Very high	48 Å²	48	65.7 Å²	65.7	19%	0.188	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-90.9	146.6	173	-59	-78.2	0	0	0	110.7	F34 W42 Y43	F34-Y38 HydrophobicContact CD2-CE2 4.25Å; Y38-W42 HydrophobicContact CD1-CD2 4.11Å; Y38-W42 HydrophobicContact CD1-CE3 4.34Å; Y38-W42 HydrophobicContact CD1-CG 4.47Å; Y38-W42 HydrophobicContact CD2-CE3 4.22Å; Y38-W42 HydrophobicContact CD2-CH2 4.4Å; Y38-W42 HydrophobicContact CD2-CZ3 4.03Å; Y38-W42 HydrophobicContact CE2-CH2 4.47Å; Y38-W42 HydrophobicContact CG-CD2 4.06Å; Y38-W42 AromaticContact CG-CE3 3.84Å; Y38-W42 HydrophobicContact CG-CE3 3.84Å; Y38-W42 HydrophobicContact CG-CZ3 4.1Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.47Å
39	P	94.5	Very high	92.1	Very high	80 Å²	80	63 Å²	63	52%	0.519	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69	152.9	176.6	29.1	-34.7	0	0	0	111.8	S41 W42	P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.1Å; P39-W42 HydrophobicContact CG-CB 4.03Å; P39-W42 VanDerWaalsContact O-CB 3.28Å; P39-W42 WeakPolarHBondContact O-CB 3.17Å; P39-W42 PolarHBondContact O-N 2.99Å
40	D	95.1	Very high	91.9	Very high	81 Å²	81	72.1 Å²	72.1	43%	0.433	38%	0.383	S	S	.	.	H	α-helix	trans	-56.4	-30.8	179.5	-71.2	-17.8	0	0	0	113.9	K27 W42 Y43 R44	K27-D40 IonicContact NZ-OD1 3.49Å; K27-D40 PolarHBondContact NZ-OD1 3.44Å; D40-W42 VanDerWaalsContact C-N 3.28Å; D40-W42 PolarHBondContact O-N 2.86Å; D40-Y43 PolarHBondContact O-N 2.86Å; D40-R44 PolarHBondContact O-N 3.12Å; D40-R44 VanDerWaalsContact O-N 3.11Å
41	S	96.3	Very high	91.7	Very high	54 Å²	54	77.1 Å²	77.1	38%	0.378	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-36.2	174.9	55.2	0	0	0	0	112.4	P39 R44 D45	P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.1Å; S41-R44 PolarHBondContact O-N 3.03Å; S41-D45 WeakPolarHBondContact O-CB 3.41Å; S41-D45 PolarHBondContact O-N 3.36Å
42	W	95.9	Very high	91.7	Very high	38 Å²	38	76.1 Å²	76.1	14%	0.144	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-45	178.5	-177.1	87.4	0	0	0	110.8	Y38 P39 D40 R44 D45 I46 L99	Y38-W42 HydrophobicContact CD1-CD2 4.11Å; Y38-W42 HydrophobicContact CD1-CE3 4.34Å; Y38-W42 HydrophobicContact CD1-CG 4.47Å; Y38-W42 HydrophobicContact CD2-CE3 4.22Å; Y38-W42 HydrophobicContact CD2-CH2 4.4Å; Y38-W42 HydrophobicContact CD2-CZ3 4.03Å; Y38-W42 HydrophobicContact CE2-CH2 4.47Å; Y38-W42 HydrophobicContact CG-CD2 4.06Å; Y38-W42 AromaticContact CG-CE3 3.84Å; Y38-W42 HydrophobicContact CG-CE3 3.84Å; Y38-W42 HydrophobicContact CG-CZ3 4.1Å; P39-W42 HydrophobicContact CG-CB 4.03Å; P39-W42 VanDerWaalsContact O-CB 3.28Å; P39-W42 WeakPolarHBondContact O-CB 3.17Å; P39-W42 PolarHBondContact O-N 2.99Å; D40-W42 VanDerWaalsContact C-N 3.28Å; D40-W42 PolarHBondContact O-N 2.86Å; W42-R44 PolarHBondContact O-N 3.35Å; W42-D45 WeakPolarHBondContact O-CB 3.16Å; W42-D45 PolarHBondContact O-N 3.16Å; W42-I46 HydrophobicContact CD2-CG2 4.18Å; W42-I46 HydrophobicContact CE3-CD1 4Å; W42-I46 HydrophobicContact CE3-CG1 4.35Å; W42-I46 HydrophobicContact CH2-CD1 3.57Å; W42-I46 HydrophobicContact CH2-CG2 4.44Å; W42-I46 HydrophobicContact CZ2-CD1 4.24Å; W42-I46 HydrophobicContact CZ2-CG2 4Å; W42-I46 HydrophobicContact CZ3-CD1 3.42Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.42Å; W42-I46 HydrophobicContact CZ3-CG1 4.25Å; W42-I46 WeakPolarHBondContact O-CG1 3.36Å; W42-I46 WeakPolarHBondContact O-CG2 3.09Å; W42-I46 PolarHBondContact O-N 3.36Å; W42-L99 HydrophobicContact CZ2-CB 4.38Å
43	Y	96.9	Very high	91.7	Very high	5 Å²	5	72.1 Å²	72.1	2%	0.02	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-40.5	176.3	-66.1	-70.8	0	0	0	112.8	V26 K27 C30 Y38 D40 I46 T47	V26-Y43 HydrophobicContact CG1-CD1 3.88Å; V26-Y43 HydrophobicContact CG1-CE1 4.07Å; K27-Y43 HydrophobicContact CB-CD1 4.3Å; K27-Y43 HydrophobicContact CB-CD2 4.41Å; K27-Y43 HydrophobicContact CB-CE1 4.09Å; K27-Y43 HydrophobicContact CB-CE2 4.19Å; K27-Y43 HydrophobicContact CB-CG 4.45Å; K27-Y43 HydrophobicContact CD-CD2 4.29Å; K27-Y43 HydrophobicContact CD-CE2 4.12Å; K27-Y43 HydrophobicContact CG-CD2 4.28Å; K27-Y43 HydrophobicContact CG-CE1 4.46Å; K27-Y43 HydrophobicContact CG-CE2 3.78Å; C30-Y43 HydrophobicContact CB-CE1 3.97Å; C30-Y43 WeakPolarHBondContact CB-OH 3.27Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.47Å; D40-Y43 PolarHBondContact O-N 2.86Å; Y43-I46 WeakPolarHBondContact O-CG1 3.46Å; Y43-T47 WeakPolarHBondContact O-CB 3.49Å; Y43-T47 VanDerWaalsContact O-CG2 3.29Å; Y43-T47 WeakPolarHBondContact O-CG2 3.14Å; Y43-T47 PolarHBondContact O-N 2.87Å; Y43-T47 PolarHBondContact O-OG1 3.49Å
44	R	97.4	Very high	92	Very high	123 Å²	123	71 Å²	71	46%	0.464	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-42.8	172.8	-73.2	-170.3	-64.7	-95.6	3.2	112	I23 D40 S41 W42 T47 S48	I23-R44 HydrophobicContact CD1-CG 3.91Å; D40-R44 PolarHBondContact O-N 3.12Å; D40-R44 VanDerWaalsContact O-N 3.11Å; S41-R44 PolarHBondContact O-N 3.03Å; W42-R44 PolarHBondContact O-N 3.35Å; R44-T47 PolarHBondContact O-OG1 2.89Å; R44-S48 VanDerWaalsContact O-CB 3.24Å; R44-S48 WeakPolarHBondContact O-CB 3.38Å; R44-S48 PolarHBondContact O-N 2.87Å; R44-S48 VanDerWaalsContact O-N 3.12Å; R44-S48 PolarHBondContact O-OG 3.04Å
45	D	95.8	Very high	92.1	Very high	76 Å²	76	69.2 Å²	69.2	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-50.6	-180	-82.2	-19.3	0	0	0	111.5	S41 W42 T47 S48 N49 F52	S41-D45 WeakPolarHBondContact O-CB 3.41Å; S41-D45 PolarHBondContact O-N 3.36Å; W42-D45 WeakPolarHBondContact O-CB 3.16Å; W42-D45 PolarHBondContact O-N 3.16Å; D45-T47 PolarHBondContact O-N 3.44Å; D45-S48 PolarHBondContact O-N 3.04Å; D45-N49 WeakPolarHBondContact O-CA 3.09Å; D45-N49 WeakPolarHBondContact O-CB 3.44Å; D45-N49 PolarHBondContact O-N 3.46Å; D45-F52 HydrophobicContact CB-CE2 3.95Å
46	I	94.9	Very high	92.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-69.9	-20.7	-175.5	64.7	157.7	0	0	0	113.2	L18 V26 W42 Y43 S54 V68	L18-I46 HydrophobicContact CD1-CD1 4.45Å; V26-I46 HydrophobicContact CG1-CD1 3.96Å; W42-I46 HydrophobicContact CD2-CG2 4.18Å; W42-I46 HydrophobicContact CE3-CD1 4Å; W42-I46 HydrophobicContact CE3-CG1 4.35Å; W42-I46 HydrophobicContact CH2-CD1 3.57Å; W42-I46 HydrophobicContact CH2-CG2 4.44Å; W42-I46 HydrophobicContact CZ2-CD1 4.24Å; W42-I46 HydrophobicContact CZ2-CG2 4Å; W42-I46 HydrophobicContact CZ3-CD1 3.42Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.42Å; W42-I46 HydrophobicContact CZ3-CG1 4.25Å; W42-I46 WeakPolarHBondContact O-CG1 3.36Å; W42-I46 WeakPolarHBondContact O-CG2 3.09Å; W42-I46 PolarHBondContact O-N 3.36Å; Y43-I46 WeakPolarHBondContact O-CG1 3.46Å; I46-S54 WeakPolarHBondContact O-CB 3.25Å; I46-S54 PolarHBondContact O-OG 2.92Å; I46-V68 HydrophobicContact CB-CG1 3.9Å; I46-V68 HydrophobicContact CB-CG2 4.38Å; I46-V68 HydrophobicContact CD1-CG2 3.89Å; I46-V68 HydrophobicContact CG2-CG1 3.6Å
47	T	96.7	Very high	92.5	Very high	9 Å²	9	58 Å²	58	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-95.1	-19.7	-179	53.4	0	0	0	0	113.5	L18 C19 I23 Y43 R44 D45	L18-T47 HydrophobicContact CB-CG2 4.33Å; L18-T47 HydrophobicContact CD1-CG2 4.39Å; C19-T47 CarbonylContact C-O 3.59Å; C19-T47 WeakPolarHBondContact CA-O 3.45Å; C19-T47 WeakPolarHBondContact O-CB 3.29Å; I23-T47 HydrophobicContact CG1-CG2 3.84Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.01Å; Y43-T47 WeakPolarHBondContact O-CB 3.49Å; Y43-T47 VanDerWaalsContact O-CG2 3.29Å; Y43-T47 WeakPolarHBondContact O-CG2 3.14Å; Y43-T47 PolarHBondContact O-N 2.87Å; Y43-T47 PolarHBondContact O-OG1 3.49Å; R44-T47 PolarHBondContact O-OG1 2.89Å; D45-T47 PolarHBondContact O-N 3.44Å
48	S	94.1	Very high	92.6	Very high	68 Å²	68	50.2 Å²	50.2	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-126.5	-21.6	-170.4	-56.9	0	0	0	0	114	H20 R44 D45	H20-S48 PolarHBondContact ND1-OG 3.23Å; R44-S48 VanDerWaalsContact O-CB 3.24Å; R44-S48 WeakPolarHBondContact O-CB 3.38Å; R44-S48 PolarHBondContact O-N 2.87Å; R44-S48 VanDerWaalsContact O-N 3.12Å; R44-S48 PolarHBondContact O-OG 3.04Å; D45-S48 PolarHBondContact O-N 3.04Å
49	N	92	Very high	92.3	Very high	69 Å²	69	49 Å²	49	37%	0.369	25%	0.246	S	C	.	.			trans	-93.4	117.3	-177.3	-169.7	-20.2	0	0	0	111.7	D45 K51 F52	D45-N49 WeakPolarHBondContact O-CA 3.09Å; D45-N49 WeakPolarHBondContact O-CB 3.44Å; D45-N49 PolarHBondContact O-N 3.46Å; N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 WeakPolarHBondContact OD1-CB 3.13Å; N49-K51 PolarHBondContact OD1-N 3.44Å; N49-F52 HydrophobicContact CB-CD2 4.02Å; N49-F52 HydrophobicContact CB-CE2 4.23Å; N49-F52 PolarHBondContact O-N 2.78Å; N49-F52 VanDerWaalsContact O-N 3.09Å
50	K	88.3	Confident	92	Very high	206 Å²	206	52.7 Å²	52.7	90%	0.896	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8	179.9	-61.1	-174.4	179.6	-178.7	0	114.8	F52	K50-F52 PolarHBondContact O-N 3.34Å
51	K	88.9	Confident	91.5	Very high	106 Å²	106	51.9 Å²	51.9	46%	0.461	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.3	170	-173.4	-166.2	-178.3	-148.1	0	111.6	N49 E70	N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 WeakPolarHBondContact OD1-CB 3.13Å; N49-K51 PolarHBondContact OD1-N 3.44Å; K51-E70 WeakPolarHBondContact CE-OE1 3.28Å; K51-E70 HydrophobicContact CG-CG 4.44Å; K51-E70 IonicContact NZ-OE1 2.67Å; K51-E70 PolarHBondContact NZ-OE1 2.87Å; K51-E70 IonicContact NZ-OE2 2.79Å; K51-E70 PolarHBondContact NZ-OE2 3.35Å
52	F	90.4	Very high	91.3	Very high	30 Å²	30	52.1 Å²	52.1	13%	0.132	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.2	179.8	-58.4	-73.4	0	0	0	110.6	D45 N49 K50 S54 V68 A69 E70 L99	D45-F52 HydrophobicContact CB-CE2 3.95Å; N49-F52 HydrophobicContact CB-CD2 4.02Å; N49-F52 HydrophobicContact CB-CE2 4.23Å; N49-F52 PolarHBondContact O-N 2.78Å; N49-F52 VanDerWaalsContact O-N 3.09Å; K50-F52 PolarHBondContact O-N 3.34Å; F52-S54 WeakPolarHBondContact CB-OG 3.33Å; F52-S54 PolarHBondContact O-N 3.2Å; F52-V68 HydrophobicContact CB-CG1 4.47Å; F52-A69 CarbonylContact C-O 3.38Å; F52-A69 WeakPolarHBondContact CA-O 3.12Å; F52-E70 HydrophobicContact CD1-CB 3.94Å; F52-E70 HydrophobicContact CD1-CG 4.49Å; F52-E70 HydrophobicContact CE1-CB 4.01Å; F52-E70 HydrophobicContact CE1-CG 4.35Å; F52-E70 WeakPolarHBondContact CE1-OE2 3.32Å; F52-L99 HydrophobicContact CD1-CD1 4.07Å; F52-L99 HydrophobicContact CE1-CD1 4.16Å; F52-L99 HydrophobicContact CE1-CD2 3.97Å
53	F	89.7	Confident	91.2	Very high	30 Å²	30	50.9 Å²	50.9	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	99	160.8	-175.9	-97.9	0	0	0	108.1	L17 L55 I67 V68 A69 L125 L128	L17-F53 HydrophobicContact CD2-CD2 4.46Å; L17-F53 HydrophobicContact CD2-CE2 4.2Å; F53-L55 HydrophobicContact CE1-CB 3.8Å; F53-L55 HydrophobicContact CE1-CD2 4.34Å; F53-L55 HydrophobicContact CZ-CB 4.02Å; F53-L55 HydrophobicContact CZ-CD1 4.22Å; F53-L55 HydrophobicContact CZ-CD2 4.15Å; F53-L55 HydrophobicContact CZ-CG 4.37Å; F53-I67 HydrophobicContact CE1-CG2 4.44Å; F53-V68 WeakPolarHBondContact O-CA 3.29Å; F53-A69 PolarHBondContact N-O 3.27Å; F53-A69 PolarHBondContact O-N 2.84Å; F53-L125 HydrophobicContact CD1-CD2 3.32Å; F53-L125 HydrophobicContact CD1-CG 4.24Å; F53-L125 HydrophobicContact CD2-CD2 4.32Å; F53-L125 HydrophobicContact CE1-CD2 3.41Å; F53-L125 VanDerWaalsContact CE1-CD2 3.41Å; F53-L125 HydrophobicContact CE1-CG 3.91Å; F53-L125 HydrophobicContact CE2-CD2 4.42Å; F53-L125 HydrophobicContact CG-CD2 3.77Å; F53-L125 HydrophobicContact CZ-CD2 3.98Å; F53-L125 HydrophobicContact CZ-CG 4.48Å; F53-L128 HydrophobicContact CD2-CD1 3.73Å; F53-L128 HydrophobicContact CE2-CD1 3.25Å; F53-L128 HydrophobicContact CZ-CD1 3.99Å
54	S	92	Very high	90.8	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	100.8	-175.6	-60.9	0	0	0	0	109.8	L17 L18 I46 F52 I67	L17-S54 CarbonylContact C-O 3.57Å; L17-S54 VanDerWaalsContact CA-O 3.31Å; L17-S54 WeakPolarHBondContact CA-O 3.35Å; L17-S54 WeakPolarHBondContact CD2-O 2.87Å; L18-S54 PolarHBondContact N-O 3.4Å; I46-S54 WeakPolarHBondContact O-CB 3.25Å; I46-S54 PolarHBondContact O-OG 2.92Å; F52-S54 WeakPolarHBondContact CB-OG 3.33Å; F52-S54 PolarHBondContact O-N 3.2Å; S54-I67 CarbonylContact C-O 3.57Å; S54-I67 WeakPolarHBondContact CA-O 3.31Å
55	L	89.4	Confident	90.3	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.4	-174.5	-162.7	78.1	0	0	0	110.8	L15 R16 L17 F53 M66 I67 L121	L15-L55 HydrophobicContact CB-CD1 4.49Å; L15-L55 HydrophobicContact CB-CD2 4.07Å; L15-L55 HydrophobicContact CB-CG 4.4Å; L15-L55 HydrophobicContact CD1-CD2 3.95Å; L15-L55 HydrophobicContact CD2-CD2 4.25Å; L15-L55 HydrophobicContact CG-CD2 4.32Å; R16-L55 WeakPolarHBondContact O-CD1 3.27Å; L17-L55 HydrophobicContact CD2-CD1 3.96Å; L17-L55 HydrophobicContact CG-CD1 4.47Å; F53-L55 HydrophobicContact CE1-CB 3.8Å; F53-L55 HydrophobicContact CE1-CD2 4.34Å; F53-L55 HydrophobicContact CZ-CB 4.02Å; F53-L55 HydrophobicContact CZ-CD1 4.22Å; F53-L55 HydrophobicContact CZ-CD2 4.15Å; F53-L55 HydrophobicContact CZ-CG 4.37Å; L55-M66 CarbonylContact O-C 3.53Å; L55-M66 WeakPolarHBondContact O-CA 3.18Å; L55-M66 WeakPolarHBondContact O-CB 3.37Å; L55-I67 HydrophobicContact CB-CG2 3.93Å; L55-I67 PolarHBondContact N-O 3Å; L55-I67 PolarHBondContact O-N 2.7Å; L55-L121 HydrophobicContact CB-CD2 4.37Å; L55-L121 HydrophobicContact CD2-CD2 3.22Å; L55-L121 HydrophobicContact CG-CD2 4.3Å
56	A	91.3	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.4	172	0	0	0	0	0	111.2	L15 R16 L18 T58 I63 G65	L15-A56 WeakPolarHBondContact CA-O 3.28Å; R16-A56 PolarHBondContact N-O 2.88Å; R16-A56 PolarHBondContact O-N 3.14Å; L18-A56 HydrophobicContact CD2-CB 3.7Å; L18-A56 HydrophobicContact CG-CB 4.46Å; A56-T58 HydrophobicContact CB-CG2 4.44Å; A56-I63 HydrophobicContact CB-CD1 4.26Å; A56-I63 HydrophobicContact CB-CG1 4.19Å; A56-I63 HydrophobicContact CB-CG2 4.13Å; A56-G65 CarbonylContact C-O 3.5Å; A56-G65 WeakPolarHBondContact CA-O 3.3Å
57	A	86.4	Confident	89.8	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.7	156.8	0	0	0	0	0	109.2	V13 L15 I63 V64 G65 Y117	V13-A57 HydrophobicContact CG1-CB 3.89Å; L15-A57 HydrophobicContact CD2-CB 3.94Å; A57-I63 WeakPolarHBondContact O-CA 3.45Å; A57-V64 HydrophobicContact CB-CG2 4.17Å; A57-V64 WeakPolarHBondContact O-CG2 3.47Å; A57-V64 PolarHBondContact O-N 3.35Å; A57-G65 PolarHBondContact N-O 3.33Å; A57-G65 PolarHBondContact O-N 3.25Å; A57-Y117 HydrophobicContact CB-CE2 3.67Å
58	T	87.8	Confident	89.5	Confident	6 Å²	6	41.5 Å²	41.5	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.6	179.4	63.6	0	0	0	0	110.5	V13 S14 R16 A56 A62 I63	V13-T58 CarbonylContact C-O 3.59Å; V13-T58 VanDerWaalsContact CA-O 3.28Å; V13-T58 WeakPolarHBondContact CA-O 3.31Å; S14-T58 PolarHBondContact N-O 3.31Å; S14-T58 PolarHBondContact O-N 2.9Å; S14-T58 PolarHBondContact O-OG1 2.78Å; S14-T58 VanDerWaalsContact O-OG1 3.11Å; S14-T58 PolarHBondContact OG-OG1 3.39Å; R16-T58 HydrophobicContact CG-CG2 4.14Å; A56-T58 HydrophobicContact CB-CG2 4.44Å; T58-A62 CarbonylContact C-O 3.45Å; T58-A62 WeakPolarHBondContact CA-O 3.35Å; T58-I63 HydrophobicContact CG2-CG1 4.22Å
59	Y	84.5	Confident	89.2	Confident	22 Å²	22	38.4 Å²	38.4	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.2	173.1	178.2	-104.5	0	0	0	107.8	A9 E12 V13 G61 A62 F107	A9-Y59 HydrophobicContact CB-CD2 4.29Å; A9-Y59 HydrophobicContact CB-CE2 3.69Å; E12-Y59 HydrophobicContact CB-CD2 3.89Å; E12-Y59 HydrophobicContact CB-CE2 3.58Å; E12-Y59 HydrophobicContact CG-CE2 4.4Å; E12-Y59 WeakPolarHBondContact OE2-CE2 3.49Å; E12-Y59 PolarHBondContact OE2-OH 3.07Å; V13-Y59 HydrophobicContact CG2-CD2 4.22Å; Y59-G61 PolarHBondContact O-N 3.18Å; Y59-G61 VanDerWaalsContact O-N 3.16Å; Y59-A62 PolarHBondContact N-O 3.1Å; Y59-A62 PolarHBondContact O-N 3.15Å; Y59-F107 AromaticContact CD1-CE1 3.98Å; Y59-F107 HydrophobicContact CD1-CE1 3.98Å; Y59-F107 AromaticContact CD1-CZ 3.48Å; Y59-F107 HydrophobicContact CD1-CZ 3.48Å; Y59-F107 VanDerWaalsContact CD1-CZ 3.48Å; Y59-F107 HydrophobicContact CD2-CE1 4.23Å; Y59-F107 HydrophobicContact CE1-CZ 4.06Å; Y59-F107 AromaticContact CG-CE1 3.77Å; Y59-F107 HydrophobicContact CG-CE1 3.77Å; Y59-F107 AromaticContact CG-CZ 3.75Å; Y59-F107 HydrophobicContact CG-CZ 3.75Å
60	R	87.6	Confident	89.1	Confident	158 Å²	158	36.2 Å²	36.2	60%	0.596	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	38.1	-175.3	-60	-178.9	174.9	179.6	-1.9	113.3	E12 A62	E12-R60 IonicContact OE2-NE 3.94Å; E12-R60 PolarHBondContact OE2-NE 3.39Å; E12-R60 IonicContact OE2-NH2 3.94Å; R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 2.89Å
61	G	86.2	Confident	88.9	Confident	65 Å²	65	30.7 Å²	30.7	67%	0.67	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	-13	179.3	0	0	0	0	0	115.7	Y59	Y59-G61 PolarHBondContact O-N 3.18Å; Y59-G61 VanDerWaalsContact O-N 3.16Å
62	A	91.1	Very high	88.8	Confident	58 Å²	58	26.5 Å²	26.5	48%	0.479	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.5	177.2	0	0	0	0	0	111.5	T58 Y59 R60 V64	T58-A62 CarbonylContact C-O 3.45Å; T58-A62 WeakPolarHBondContact CA-O 3.35Å; Y59-A62 PolarHBondContact N-O 3.1Å; Y59-A62 PolarHBondContact O-N 3.15Å; R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 2.89Å; A62-V64 PolarHBondContact O-N 3.47Å
63	I	93.1	Very high	88.7	Confident	12 Å²	12	26.7 Å²	26.7	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.7	174.4	-60.2	176.7	0	0	0	108.9	L18 D22 T25 V26 L29 A56 A57 T58 G65	L18-I63 HydrophobicContact CD2-CD1 3.91Å; D22-I63 HydrophobicContact CB-CD1 4.06Å; T25-I63 HydrophobicContact CG2-CB 4.2Å; T25-I63 HydrophobicContact CG2-CD1 4.09Å; T25-I63 HydrophobicContact CG2-CG1 4.4Å; V26-I63 HydrophobicContact CG2-CD1 4.41Å; L29-I63 HydrophobicContact CD1-CB 3.97Å; L29-I63 HydrophobicContact CD1-CG2 3.68Å; A56-I63 HydrophobicContact CB-CD1 4.26Å; A56-I63 HydrophobicContact CB-CG1 4.19Å; A56-I63 HydrophobicContact CB-CG2 4.13Å; A57-I63 WeakPolarHBondContact O-CA 3.45Å; T58-I63 HydrophobicContact CG2-CG1 4.22Å; I63-G65 WeakPolarHBondContact CG2-O 3.41Å
64	V	88.8	Confident	88.5	Confident	11 Å²	11	27 Å²	27	7%	0.067	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-10.3	178	-65.5	0	0	0	0	112.6	A57 A62 V103 V104 F107	A57-V64 HydrophobicContact CB-CG2 4.17Å; A57-V64 WeakPolarHBondContact O-CG2 3.47Å; A57-V64 PolarHBondContact O-N 3.35Å; A62-V64 PolarHBondContact O-N 3.47Å; V64-V103 CarbonylContact O-C 3.6Å; V64-V103 WeakPolarHBondContact O-CA 3.22Å; V64-V103 WeakPolarHBondContact O-CG1 3.42Å; V64-V104 HydrophobicContact CB-CG2 3.88Å; V64-V104 HydrophobicContact CG1-CG2 4.19Å; V64-V104 WeakPolarHBondContact O-CG2 3.44Å; V64-V104 PolarHBondContact O-N 3.24Å; V64-F107 HydrophobicContact CB-CD1 4.31Å; V64-F107 HydrophobicContact CB-CD2 4.29Å; V64-F107 HydrophobicContact CB-CE1 4.42Å; V64-F107 HydrophobicContact CB-CE2 4.37Å; V64-F107 HydrophobicContact CB-CG 4.24Å; V64-F107 HydrophobicContact CB-CZ 4.45Å; V64-F107 HydrophobicContact CG1-CD1 4.5Å; V64-F107 HydrophobicContact CG1-CD2 4.16Å; V64-F107 HydrophobicContact CG1-CE1 4.16Å; V64-F107 HydrophobicContact CG1-CE2 3.77Å; V64-F107 HydrophobicContact CG1-CZ 3.78Å; V64-F107 HydrophobicContact CG2-CD1 4.32Å; V64-F107 HydrophobicContact CG2-CE1 4.4Å
65	G	87.3	Confident	88.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	163.3	172	0	0	0	0	0	111.6	A56 A57 I63 G102	A56-G65 CarbonylContact C-O 3.5Å; A56-G65 WeakPolarHBondContact CA-O 3.3Å; A57-G65 PolarHBondContact N-O 3.33Å; A57-G65 PolarHBondContact O-N 3.25Å; I63-G65 WeakPolarHBondContact CG2-O 3.41Å; G65-G102 CarbonylContact C-O 3.55Å; G65-G102 WeakPolarHBondContact CA-O 3.41Å
66	M	91.3	Very high	88.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.3	173	79.9	-171.6	-178.8	0	0	112.2	L18 V26 C30 W33 L55 V68 L101 G102 Y117	L18-M66 HydrophobicContact CD1-SD 4.23Å; V26-M66 HydrophobicContact CG1-CE 3.82Å; V26-M66 HydrophobicContact CG1-SD 3.65Å; V26-M66 HydrophobicContact CG2-SD 4.21Å; C30-M66 WeakPolarHBondContact SG-CE 3.36Å; W33-M66 HydrophobicContact CE3-CE 4.32Å; W33-M66 HydrophobicContact CH2-CG 4.21Å; W33-M66 HydrophobicContact CZ3-CE 3.81Å; W33-M66 HydrophobicContact CZ3-CG 3.69Å; W33-M66 HydrophobicContact CZ3-SD 3.95Å; L55-M66 CarbonylContact O-C 3.53Å; L55-M66 WeakPolarHBondContact O-CA 3.18Å; L55-M66 WeakPolarHBondContact O-CB 3.37Å; M66-V68 HydrophobicContact CE-CG2 4.49Å; M66-V68 HydrophobicContact SD-CG2 4.44Å; M66-L101 WeakPolarHBondContact O-CA 3.28Å; M66-G102 PolarHBondContact N-O 2.95Å; M66-G102 PolarHBondContact O-N 3.07Å; M66-Y117 VanDerWaalsContact CA-OH 3.3Å; M66-Y117 WeakPolarHBondContact CA-OH 3.36Å; M66-Y117 PolarHBondContact N-OH 3.25Å
67	I	88.3	Confident	88.1	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.2	162.6	-172.8	169.1	0	0	0	109.1	F53 S54 L55 I98 S100 L101 L121	F53-I67 HydrophobicContact CE1-CG2 4.44Å; S54-I67 CarbonylContact C-O 3.57Å; S54-I67 WeakPolarHBondContact CA-O 3.31Å; L55-I67 HydrophobicContact CB-CG2 3.93Å; L55-I67 PolarHBondContact N-O 3Å; L55-I67 PolarHBondContact O-N 2.7Å; I67-I98 HydrophobicContact CD1-CD1 4.27Å; I67-I98 HydrophobicContact CD1-CG1 4.45Å; I67-I98 HydrophobicContact CD1-CG2 4.47Å; I67-I98 HydrophobicContact CG1-CG2 4.26Å; I67-S100 CarbonylContact C-O 3.48Å; I67-S100 WeakPolarHBondContact CA-O 3.39Å; I67-L101 HydrophobicContact CB-CD1 3.93Å; I67-L101 HydrophobicContact CD1-CD1 4.28Å; I67-L101 HydrophobicContact CG1-CD1 4.14Å; I67-L121 HydrophobicContact CB-CD1 3.78Å; I67-L121 HydrophobicContact CD1-CD1 4Å; I67-L121 HydrophobicContact CG1-CD1 4.49Å; I67-L121 HydrophobicContact CG2-CD1 3.53Å; I67-L121 HydrophobicContact CG2-CD2 3.55Å; I67-L121 HydrophobicContact CG2-CG 4.11Å
68	V	90.6	Very high	88.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.2	172.7	-179.2	0	0	0	0	107.9	L18 I46 F52 F53 M66 L99 S100	L18-V68 HydrophobicContact CD1-CG2 4.49Å; I46-V68 HydrophobicContact CB-CG1 3.9Å; I46-V68 HydrophobicContact CB-CG2 4.38Å; I46-V68 HydrophobicContact CD1-CG2 3.89Å; I46-V68 HydrophobicContact CG2-CG1 3.6Å; F52-V68 HydrophobicContact CB-CG1 4.47Å; F53-V68 WeakPolarHBondContact O-CA 3.29Å; M66-V68 HydrophobicContact CE-CG2 4.49Å; M66-V68 HydrophobicContact SD-CG2 4.44Å; V68-L99 HydrophobicContact CB-CB 4.49Å; V68-L99 HydrophobicContact CG1-CB 4.21Å; V68-L99 HydrophobicContact CG1-CD1 4.29Å; V68-L99 PolarHBondContact O-N 3.33Å; V68-S100 PolarHBondContact N-O 3.3Å; V68-S100 PolarHBondContact O-N 3.29Å
69	A	88.7	Confident	88	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.8	178.7	0	0	0	0	0	112	F52 F53 Y97 I98	F52-A69 CarbonylContact C-O 3.38Å; F52-A69 WeakPolarHBondContact CA-O 3.12Å; F53-A69 PolarHBondContact N-O 3.27Å; F53-A69 PolarHBondContact O-N 2.84Å; A69-Y97 CarbonylContact C-O 3.52Å; A69-Y97 WeakPolarHBondContact CA-O 3.07Å; A69-I98 HydrophobicContact CB-CG1 4.47Å
70	E	89.4	Confident	88.2	Confident	24 Å²	24	57.6 Å²	57.6	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.7	170.7	-179.3	-178.1	150.8	0	0	109.4	K51 F52 K72 A96 Y97 L99	K51-E70 WeakPolarHBondContact CE-OE1 3.28Å; K51-E70 HydrophobicContact CG-CG 4.44Å; K51-E70 IonicContact NZ-OE1 2.67Å; K51-E70 PolarHBondContact NZ-OE1 2.87Å; K51-E70 IonicContact NZ-OE2 2.79Å; K51-E70 PolarHBondContact NZ-OE2 3.35Å; F52-E70 HydrophobicContact CD1-CB 3.94Å; F52-E70 HydrophobicContact CD1-CG 4.49Å; F52-E70 HydrophobicContact CE1-CB 4.01Å; F52-E70 HydrophobicContact CE1-CG 4.35Å; F52-E70 WeakPolarHBondContact CE1-OE2 3.32Å; E70-K72 HydrophobicContact CG-CB 4.31Å; E70-A96 WeakPolarHBondContact O-CA 3.24Å; E70-Y97 PolarHBondContact N-O 3.19Å; E70-Y97 PolarHBondContact O-N 3.46Å; E70-L99 HydrophobicContact CB-CD1 3.81Å
71	I	84.9	Confident	88.2	Confident	90 Å²	90	52.3 Å²	52.3	46%	0.462	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.7	167.5	-58.6	176.5	0	0	0	107.8	Q94 V95	I71-Q94 HydrophobicContact CG2-CB 4.03Å; I71-Q94 HydrophobicContact CG2-CG 4.45Å; I71-V95 WeakPolarHBondContact CA-O 3.22Å
72	K	86.1	Confident	88	Confident	17 Å²	17	51.3 Å²	51.3	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.4	179.1	62.2	-179	-179.9	171.9	0	111.4	E70 K76 Q94 V95	E70-K72 HydrophobicContact CG-CB 4.31Å; K72-K76 HydrophobicContact CB-CB 4.27Å; K72-K76 HydrophobicContact CB-CD 4.44Å; K72-K76 HydrophobicContact CD-CB 4.05Å; K72-K76 WeakPolarHBondContact CE-O 3.29Å; K72-K76 HydrophobicContact CG-CB 4.38Å; K72-K76 PolarHBondContact NZ-O 2.83Å; K72-Q94 CarbonylContact O-C 3.52Å; K72-Q94 WeakPolarHBondContact O-CA 2.82Å; K72-V95 HydrophobicContact CG-CG2 4.12Å; K72-V95 PolarHBondContact N-O 2.8Å; K72-V95 WeakPolarHBondContact O-CG2 3.34Å; K72-V95 PolarHBondContact O-N 2.8Å
73	N	88.8	Confident	87.7	Confident	35 Å²	35	55 Å²	55	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	145.3	174.5	-176.7	-70.6	0	0	0	110.2	T75 K76 V91 D92	N73-T75 PolarHBondContact O-N 3.11Å; N73-T75 VanDerWaalsContact O-N 3.08Å; N73-T75 WeakPolarHBondContact OD1-CB 3.48Å; N73-T75 WeakPolarHBondContact OD1-CG2 3.44Å; N73-T75 PolarHBondContact OD1-N 2.87Å; N73-T75 PolarHBondContact OD1-OG1 3.33Å; N73-K76 WeakPolarHBondContact O-CA 3.32Å; N73-K76 WeakPolarHBondContact O-CB 3.24Å; N73-K76 PolarHBondContact O-N 2.69Å; N73-V91 PolarHBondContact ND2-O 2.71Å; N73-V91 PolarHBondContact OD1-O 3.04Å; N73-D92 WeakPolarHBondContact ND2-CA 3.36Å
74	R	85.4	Confident	87.4	Confident	37 Å²	37	59.8 Å²	59.8	14%	0.14	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.7	-28.8	179.7	69.3	169.1	-61.8	-178.6	10.9	113.8	K76 I77 L85 A86 F89 S90 T93	R74-K76 PolarHBondContact O-N 3.45Å; R74-I77 HydrophobicContact CB-CD1 4.01Å; R74-I77 VanDerWaalsContact O-CB 3.32Å; R74-I77 WeakPolarHBondContact O-CB 3.28Å; R74-I77 WeakPolarHBondContact O-CD1 3.5Å; R74-I77 VanDerWaalsContact O-CG1 3.24Å; R74-I77 WeakPolarHBondContact O-CG1 3.34Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-L85 HydrophobicContact CB-CD1 4.07Å; R74-L85 PolarHBondContact NH2-O 3.32Å; R74-A86 PolarHBondContact NH1-O 3.43Å; R74-A86 PolarHBondContact NH2-O 3.39Å; R74-F89 PolarHBondContact NH1-O 2.98Å; R74-S90 WeakPolarHBondContact CD-O 3.42Å; R74-T93 WeakPolarHBondContact CB-O 3.17Å; R74-T93 PolarHBondContact N-O 2.82Å
75	T	88.4	Confident	87.2	Confident	98 Å²	98	60.4 Å²	60.4	60%	0.601	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17.1	175.9	59.9	0	0	0	0	113.3	N73 V91	N73-T75 PolarHBondContact O-N 3.11Å; N73-T75 VanDerWaalsContact O-N 3.08Å; N73-T75 WeakPolarHBondContact OD1-CB 3.48Å; N73-T75 WeakPolarHBondContact OD1-CG2 3.44Å; N73-T75 PolarHBondContact OD1-N 2.87Å; N73-T75 PolarHBondContact OD1-OG1 3.33Å; T75-V91 HydrophobicContact CG2-CB 4.39Å
76	K	88.7	Confident	87.1	Confident	139 Å²	139	62.9 Å²	62.9	60%	0.604	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-96.8	5.6	176.2	-58.6	-173.9	177.3	-177.3	0	113.1	K72 N73 R74	K72-K76 HydrophobicContact CB-CB 4.27Å; K72-K76 HydrophobicContact CB-CD 4.44Å; K72-K76 HydrophobicContact CD-CB 4.05Å; K72-K76 WeakPolarHBondContact CE-O 3.29Å; K72-K76 HydrophobicContact CG-CB 4.38Å; K72-K76 PolarHBondContact NZ-O 2.83Å; N73-K76 WeakPolarHBondContact O-CA 3.32Å; N73-K76 WeakPolarHBondContact O-CB 3.24Å; N73-K76 PolarHBondContact O-N 2.69Å; R74-K76 PolarHBondContact O-N 3.45Å
77	I	87.4	Confident	86.8	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.138	37%	0.367	C	S	.	.	S	Bend	trans	-66	145.2	169.4	-62.8	170.8	0	0	0	107.8	R74 D81 V95	R74-I77 HydrophobicContact CB-CD1 4.01Å; R74-I77 VanDerWaalsContact O-CB 3.32Å; R74-I77 WeakPolarHBondContact O-CB 3.28Å; R74-I77 WeakPolarHBondContact O-CD1 3.5Å; R74-I77 VanDerWaalsContact O-CG1 3.24Å; R74-I77 WeakPolarHBondContact O-CG1 3.34Å; R74-I77 PolarHBondContact O-N 3.38Å; I77-D81 HydrophobicContact CG2-CB 3.38Å; I77-D81 WeakPolarHBondContact CG2-O 3.21Å; I77-V95 HydrophobicContact CD1-CB 4.38Å; I77-V95 HydrophobicContact CD1-CG1 3.87Å; I77-V95 HydrophobicContact CD1-CG2 3.71Å; I77-V95 HydrophobicContact CG1-CG2 3.64Å
78	H	85.4	Confident	86.9	Confident	93 Å²	93	73.2 Å²	73.2	43%	0.431	40%	0.4	S	S	.	.			trans	-66.1	157.5	176.9	-63.3	-176	0	0	0	110.5	E80 D81 G82	H78-E80 HydrophobicContact CB-CG 4.14Å; H78-E80 WeakPolarHBondContact CB-OE1 3.44Å; H78-E80 VanDerWaalsContact CB-OE2 3.25Å; H78-E80 WeakPolarHBondContact CB-OE2 3.47Å; H78-E80 IonicContact CG-OE1 3.44Å; H78-E80 IonicContact ND1-OE1 2.95Å; H78-E80 PolarHBondContact ND1-OE1 3.46Å; H78-E80 PolarHBondContact O-N 2.96Å; H78-D81 PolarHBondContact O-N 2.89Å; H78-G82 PolarHBondContact O-N 3.49Å
79	K	86.9	Confident	86.8	Confident	204 Å²	204	78 Å²	78	89%	0.887	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-65.1	-32.9	-172.5	-69.8	-175.9	178.7	179.9	0	112.1	D81 G82	K79-D81 PolarHBondContact O-N 2.8Å; K79-G82 PolarHBondContact O-N 3.43Å
80	E	88.6	Confident	86.8	Confident	132 Å²	132	81 Å²	81	62%	0.617	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.6	175.5	60.6	-89	-159	0	0	113.6	H78	H78-E80 HydrophobicContact CB-CG 4.14Å; H78-E80 WeakPolarHBondContact CB-OE1 3.44Å; H78-E80 VanDerWaalsContact CB-OE2 3.25Å; H78-E80 WeakPolarHBondContact CB-OE2 3.47Å; H78-E80 IonicContact CG-OE1 3.44Å; H78-E80 IonicContact ND1-OE1 2.95Å; H78-E80 PolarHBondContact ND1-OE1 3.46Å; H78-E80 PolarHBondContact O-N 2.96Å
81	D	87.1	Confident	86.7	Confident	46 Å²	46	84.4 Å²	84.4	25%	0.246	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-110.1	10.1	-175.4	-72.9	-29	0	0	0	112.3	I77 H78 K79 D83 I84	I77-D81 HydrophobicContact CG2-CB 3.38Å; I77-D81 WeakPolarHBondContact CG2-O 3.21Å; H78-D81 PolarHBondContact O-N 2.89Å; K79-D81 PolarHBondContact O-N 2.8Å; D81-D83 PolarHBondContact O-N 3.38Å; D81-D83 VanDerWaalsContact O-N 3.11Å; D81-I84 HydrophobicContact CB-CD1 3.61Å; D81-I84 HydrophobicContact CB-CG1 4.23Å; D81-I84 WeakPolarHBondContact O-CB 3.34Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.25Å; D81-I84 PolarHBondContact O-N 2.91Å
82	G	81.8	Confident	86.7	Confident	44 Å²	44	85.9 Å²	85.9	45%	0.454	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.8	-169.6	0	0	0	0	0	114.8	H78 K79	H78-G82 PolarHBondContact O-N 3.49Å; K79-G82 PolarHBondContact O-N 3.43Å
83	D	85.2	Confident	86.8	Confident	137 Å²	137	86.9 Å²	86.9	73%	0.733	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-1	-178.2	67	-14.7	0	0	0	114	D81 L85	D81-D83 PolarHBondContact O-N 3.38Å; D81-D83 VanDerWaalsContact O-N 3.11Å; D83-L85 PolarHBondContact O-N 2.74Å; D83-L85 VanDerWaalsContact O-N 3.14Å
84	I	86	Confident	86.6	Confident	111 Å²	111	90.8 Å²	90.8	57%	0.569	50%	0.498	S	S	*	.	S	Bend	trans	-54.9	-34.4	175.8	-69.9	179	0	0	0	111.6	D81	D81-I84 HydrophobicContact CB-CD1 3.61Å; D81-I84 HydrophobicContact CB-CG1 4.23Å; D81-I84 WeakPolarHBondContact O-CB 3.34Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.25Å; D81-I84 PolarHBondContact O-N 2.91Å
85	L	84.3	Confident	86.6	Confident	25 Å²	25	90.3 Å²	90.3	13%	0.131	50%	0.499	C	S	.	.	S	Bend	trans	-113.4	134.2	174.9	-68.4	-179.4	0	0	0	110.7	R74 D83 F89 T93 V95	R74-L85 HydrophobicContact CB-CD1 4.07Å; R74-L85 PolarHBondContact NH2-O 3.32Å; D83-L85 PolarHBondContact O-N 2.74Å; D83-L85 VanDerWaalsContact O-N 3.14Å; L85-F89 HydrophobicContact CB-CD2 4.37Å; L85-T93 HydrophobicContact CD1-CG2 3.92Å; L85-V95 HydrophobicContact CD1-CG1 3.45Å; L85-V95 VanDerWaalsContact CD1-CG1 3.45Å; L85-V95 HydrophobicContact CG-CG1 4.31Å
86	A	85.1	Confident	86.5	Confident	53 Å²	53	88.2 Å²	88.2	44%	0.438	49%	0.492	S	S	.	.			trans	-54.4	144.8	172.3	0	0	0	0	0	111.6	R74 S88 F89	R74-A86 PolarHBondContact NH1-O 3.43Å; R74-A86 PolarHBondContact NH2-O 3.39Å; A86-S88 PolarHBondContact O-N 3.11Å; A86-S88 VanDerWaalsContact O-N 3.12Å; A86-F89 HydrophobicContact CB-CD2 3.98Å; A86-F89 HydrophobicContact CB-CE2 4.1Å; A86-F89 WeakPolarHBondContact O-CD2 3.12Å; A86-F89 PolarHBondContact O-N 3.19Å
87	S	86.6	Confident	86.4	Confident	118 Å²	118	85.8 Å²	85.8	83%	0.825	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15	179.4	54.4	0	0	0	0	113.6	F89	S87-F89 VanDerWaalsContact C-N 3.31Å; S87-F89 PolarHBondContact O-N 2.91Å
88	S	90.1	Very high	86.4	Confident	104 Å²	104	88.9 Å²	88.9	73%	0.727	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.4	175.1	55.8	0	0	0	0	114.3	A86	A86-S88 PolarHBondContact O-N 3.11Å; A86-S88 VanDerWaalsContact O-N 3.12Å
89	F	87	Confident	86.6	Confident	101 Å²	101	86.7 Å²	86.7	44%	0.443	49%	0.486	S	S	.	.	S	Bend	trans	-68.8	143.7	173.6	-72.3	-81.1	0	0	0	110.9	R74 L85 A86 S87	R74-F89 PolarHBondContact NH1-O 2.98Å; L85-F89 HydrophobicContact CB-CD2 4.37Å; A86-F89 HydrophobicContact CB-CD2 3.98Å; A86-F89 HydrophobicContact CB-CE2 4.1Å; A86-F89 WeakPolarHBondContact O-CD2 3.12Å; A86-F89 PolarHBondContact O-N 3.19Å; S87-F89 VanDerWaalsContact C-N 3.31Å; S87-F89 PolarHBondContact O-N 2.91Å
90	S	89.1	Confident	86.7	Confident	65 Å²	65	77.1 Å²	77.1	46%	0.455	45%	0.445	S	S	.	.			trans	-54.6	148	179.2	179.8	0	0	0	0	111.9	R74 D92 T93	R74-S90 WeakPolarHBondContact CD-O 3.42Å; S90-D92 PolarHBondContact O-N 3.46Å; S90-D92 PolarHBondContact OG-N 3.14Å; S90-D92 VanDerWaalsContact OG-N 3.16Å; S90-T93 PolarHBondContact N-OG1 3.12Å; S90-T93 WeakPolarHBondContact O-CB 3.37Å; S90-T93 PolarHBondContact O-N 3.38Å; S90-T93 PolarHBondContact O-OG1 3.29Å
91	V	87.5	Confident	86.6	Confident	96 Å²	96	73.5 Å²	73.5	58%	0.582	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.7	170.9	-65.1	0	0	0	0	112.1	N73 T75 T93	N73-V91 PolarHBondContact ND2-O 2.71Å; N73-V91 PolarHBondContact OD1-O 3.04Å; T75-V91 HydrophobicContact CG2-CB 4.39Å; V91-T93 VanDerWaalsContact C-N 3.27Å; V91-T93 PolarHBondContact O-N 3.37Å
92	D	86.3	Confident	86.6	Confident	121 Å²	121	71.7 Å²	71.7	65%	0.647	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.6	176.4	-61.4	-43.3	0	0	0	113.3	N73 S90 Q94	N73-D92 WeakPolarHBondContact ND2-CA 3.36Å; S90-D92 PolarHBondContact O-N 3.46Å; S90-D92 PolarHBondContact OG-N 3.14Å; S90-D92 VanDerWaalsContact OG-N 3.16Å; D92-Q94 PolarHBondContact O-N 3.17Å
93	T	86.9	Confident	86.7	Confident	39 Å²	39	70.8 Å²	70.8	24%	0.239	41%	0.407	C	S	.	.			trans	-59.4	128.6	177.8	-63.9	0	0	0	0	110.4	R74 L85 S90 V91	R74-T93 WeakPolarHBondContact CB-O 3.17Å; R74-T93 PolarHBondContact N-O 2.82Å; L85-T93 HydrophobicContact CD1-CG2 3.92Å; S90-T93 PolarHBondContact N-OG1 3.12Å; S90-T93 WeakPolarHBondContact O-CB 3.37Å; S90-T93 PolarHBondContact O-N 3.38Å; S90-T93 PolarHBondContact O-OG1 3.29Å; V91-T93 VanDerWaalsContact C-N 3.27Å; V91-T93 PolarHBondContact O-N 3.37Å
94	Q	85.4	Confident	86.7	Confident	116 Å²	116	65.2 Å²	65.2	54%	0.542	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	153.1	174.6	-63.7	-177.8	-52.1	0	0	111	I71 K72 D92	I71-Q94 HydrophobicContact CG2-CB 4.03Å; I71-Q94 HydrophobicContact CG2-CG 4.45Å; K72-Q94 CarbonylContact O-C 3.52Å; K72-Q94 WeakPolarHBondContact O-CA 2.82Å; D92-Q94 PolarHBondContact O-N 3.17Å
95	V	85.5	Confident	86.5	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.17	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.5	171.9	-64.2	0	0	0	0	109.9	I71 K72 I77 L85	I71-V95 WeakPolarHBondContact CA-O 3.22Å; K72-V95 HydrophobicContact CG-CG2 4.12Å; K72-V95 PolarHBondContact N-O 2.8Å; K72-V95 WeakPolarHBondContact O-CG2 3.34Å; K72-V95 PolarHBondContact O-N 2.8Å; I77-V95 HydrophobicContact CD1-CB 4.38Å; I77-V95 HydrophobicContact CD1-CG1 3.87Å; I77-V95 HydrophobicContact CD1-CG2 3.71Å; I77-V95 HydrophobicContact CG1-CG2 3.64Å; L85-V95 HydrophobicContact CD1-CG1 3.45Å; L85-V95 VanDerWaalsContact CD1-CG1 3.45Å; L85-V95 HydrophobicContact CG-CG1 4.31Å
96	A	86.1	Confident	86.2	Confident	54 Å²	54	71.5 Å²	71.5	45%	0.446	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.4	168.3	0	0	0	0	0	108.6	E70	E70-A96 WeakPolarHBondContact O-CA 3.24Å
97	Y	85.2	Confident	85.6	Confident	88 Å²	88	69.7 Å²	69.7	35%	0.345	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.4	175.3	-173.3	-96.6	0	0	0	108.7	A69 E70 L99	A69-Y97 CarbonylContact C-O 3.52Å; A69-Y97 WeakPolarHBondContact CA-O 3.07Å; E70-Y97 PolarHBondContact N-O 3.19Å; E70-Y97 PolarHBondContact O-N 3.46Å; Y97-L99 HydrophobicContact CD1-CD1 4.28Å; Y97-L99 HydrophobicContact CD1-CG 4.04Å; Y97-L99 HydrophobicContact CE1-CG 4.33Å; Y97-L99 WeakPolarHBondContact O-CD1 3.4Å; Y97-L99 PolarHBondContact O-N 3.29Å
98	I	88.3	Confident	84.8	Confident	92 Å²	92	69.8 Å²	69.8	47%	0.472	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.1	177.8	-59.6	174.4	0	0	0	107.9	I67 A69 L101	I67-I98 HydrophobicContact CD1-CD1 4.27Å; I67-I98 HydrophobicContact CD1-CG1 4.45Å; I67-I98 HydrophobicContact CD1-CG2 4.47Å; I67-I98 HydrophobicContact CG1-CG2 4.26Å; A69-I98 HydrophobicContact CB-CG1 4.47Å; I98-L101 HydrophobicContact CG2-CB 4.17Å
99	L	89.3	Confident	83.4	Confident	46 Å²	46	74 Å²	74	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-37.7	178.7	-67.1	92.6	0	0	0	111.6	W42 F52 V68 E70 Y97	W42-L99 HydrophobicContact CZ2-CB 4.38Å; F52-L99 HydrophobicContact CD1-CD1 4.07Å; F52-L99 HydrophobicContact CE1-CD1 4.16Å; F52-L99 HydrophobicContact CE1-CD2 3.97Å; V68-L99 HydrophobicContact CB-CB 4.49Å; V68-L99 HydrophobicContact CG1-CB 4.21Å; V68-L99 HydrophobicContact CG1-CD1 4.29Å; V68-L99 PolarHBondContact O-N 3.33Å; E70-L99 HydrophobicContact CB-CD1 3.81Å; Y97-L99 HydrophobicContact CD1-CD1 4.28Å; Y97-L99 HydrophobicContact CD1-CG 4.04Å; Y97-L99 HydrophobicContact CE1-CG 4.33Å; Y97-L99 WeakPolarHBondContact O-CD1 3.4Å; Y97-L99 PolarHBondContact O-N 3.29Å
100	S	88.7	Confident	81.8	Confident	4 Å²	4	73.1 Å²	73.1	3%	0.028	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	139.8	-178.5	-167.6	0	0	0	0	110.9	F34 I67 V68	F34-S100 WeakPolarHBondContact CE2-OG 3.15Å; F34-S100 WeakPolarHBondContact CZ-OG 3.49Å; I67-S100 CarbonylContact C-O 3.48Å; I67-S100 WeakPolarHBondContact CA-O 3.39Å; V68-S100 PolarHBondContact N-O 3.3Å; V68-S100 PolarHBondContact O-N 3.29Å
101	L	87.9	Confident	79.8	Confident	56 Å²	56	72 Å²	72	29%	0.293	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	117.4	174.6	175.9	64.9	0	0	0	108.6	F34 M66 I67 I98 Y117 I118 L121	F34-L101 WeakPolarHBondContact CZ-O 3.45Å; M66-L101 WeakPolarHBondContact O-CA 3.28Å; I67-L101 HydrophobicContact CB-CD1 3.93Å; I67-L101 HydrophobicContact CD1-CD1 4.28Å; I67-L101 HydrophobicContact CG1-CD1 4.14Å; I98-L101 HydrophobicContact CG2-CB 4.17Å; L101-Y117 HydrophobicContact CD1-CD1 4.15Å; L101-Y117 HydrophobicContact CD1-CE1 3.73Å; L101-I118 HydrophobicContact CD2-CD1 4.02Å; L101-I118 HydrophobicContact CD2-CG1 4.25Å; L101-L121 HydrophobicContact CD1-CD1 4.41Å
102	G	86	Confident	77.8	Confident	7 Å²	7	68.3 Å²	68.3	7%	0.072	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152	-176.1	0	0	0	0	0	112.8	G65 M66	G65-G102 CarbonylContact C-O 3.55Å; G65-G102 WeakPolarHBondContact CA-O 3.41Å; M66-G102 PolarHBondContact N-O 2.95Å; M66-G102 PolarHBondContact O-N 3.07Å
103	V	85.2	Confident	75.8	Confident	25 Å²	25	67.8 Å²	67.8	15%	0.152	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.2	177	-178	0	0	0	0	107.4	W33 V64 F107 R108 Y117	W33-V103 PolarHBondContact NE1-O 3.46Å; V64-V103 CarbonylContact O-C 3.6Å; V64-V103 WeakPolarHBondContact O-CA 3.22Å; V64-V103 WeakPolarHBondContact O-CG1 3.42Å; V103-F107 HydrophobicContact CG1-CB 3.81Å; V103-R108 HydrophobicContact CB-CG 4.34Å; V103-R108 HydrophobicContact CG1-CG 4.37Å; V103-R108 PolarHBondContact O-NE 3.11Å; V103-R108 PolarHBondContact O-NH2 3.2Å; V103-Y117 HydrophobicContact CG2-CD1 4.05Å; V103-Y117 HydrophobicContact CG2-CE1 4.11Å
104	V	84.5	Confident	74	Confident	20 Å²	20	69 Å²	69	12%	0.121	35%	0.346	C	S	.	.			trans	-61.7	146.1	175.2	-61.2	0	0	0	0	110.9	L29 W33 V64 E106 F107 R108	L29-V104 HydrophobicContact CD2-CG1 3.54Å; W33-V104 HydrophobicContact CZ2-CG1 4Å; V64-V104 HydrophobicContact CB-CG2 3.88Å; V64-V104 HydrophobicContact CG1-CG2 4.19Å; V64-V104 WeakPolarHBondContact O-CG2 3.44Å; V64-V104 PolarHBondContact O-N 3.24Å; V104-E106 VanDerWaalsContact C-N 3.26Å; V104-E106 PolarHBondContact O-N 2.71Å; V104-F107 HydrophobicContact CG2-CB 3.95Å; V104-F107 HydrophobicContact CG2-CD2 3.28Å; V104-F107 HydrophobicContact CG2-CE2 4.05Å; V104-F107 HydrophobicContact CG2-CG 3.89Å; V104-F107 PolarHBondContact O-N 3.39Å; V104-R108 WeakPolarHBondContact O-CG 3.31Å; V104-R108 PolarHBondContact O-N 2.63Å
105	K	81.7	Confident	72.2	Confident	157 Å²	157	64.4 Å²	64.4	68%	0.683	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.3	-36.5	-166.2	-174.5	179.5	178.4	-178.9	0	112.9	F107 R108	K105-F107 PolarHBondContact O-N 3.44Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; K105-R108 PolarHBondContact O-N 2.88Å
106	E	78.3	Confident	70.8	Confident	111 Å²	111	66.7 Å²	66.7	52%	0.519	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63.4	-28.9	-178.8	-60.4	67.1	-143.6	0	0	111	V5 V104 H110	V5-E106 HydrophobicContact CG2-CB 4.31Å; V104-E106 VanDerWaalsContact C-N 3.26Å; V104-E106 PolarHBondContact O-N 2.71Å; E106-H110 PolarHBondContact O-CE1 2.87Å; E106-H110 VanDerWaalsContact O-CE1 3.32Å; E106-H110 PolarHBondContact O-ND1 2.79Å
107	F	72.3	Confident	69.2	Low	16 Å²	16	65 Å²	65	7%	0.07	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-93	-6	-178.6	-74.6	-106.6	0	0	0	113	V5 Y59 V64 V103 V104 K105 K109 I112	V5-F107 HydrophobicContact CG1-CD1 4.38Å; V5-F107 HydrophobicContact CG1-CE1 3.96Å; V5-F107 HydrophobicContact CG1-CZ 4.11Å; V5-F107 HydrophobicContact CG2-CD2 4.29Å; V5-F107 HydrophobicContact CG2-CE2 3.93Å; V5-F107 HydrophobicContact CG2-CZ 4.11Å; Y59-F107 AromaticContact CD1-CE1 3.98Å; Y59-F107 HydrophobicContact CD1-CE1 3.98Å; Y59-F107 AromaticContact CD1-CZ 3.48Å; Y59-F107 HydrophobicContact CD1-CZ 3.48Å; Y59-F107 VanDerWaalsContact CD1-CZ 3.48Å; Y59-F107 HydrophobicContact CD2-CE1 4.23Å; Y59-F107 HydrophobicContact CE1-CZ 4.06Å; Y59-F107 AromaticContact CG-CE1 3.77Å; Y59-F107 HydrophobicContact CG-CE1 3.77Å; Y59-F107 AromaticContact CG-CZ 3.75Å; Y59-F107 HydrophobicContact CG-CZ 3.75Å; V64-F107 HydrophobicContact CB-CD1 4.31Å; V64-F107 HydrophobicContact CB-CD2 4.29Å; V64-F107 HydrophobicContact CB-CE1 4.42Å; V64-F107 HydrophobicContact CB-CE2 4.37Å; V64-F107 HydrophobicContact CB-CG 4.24Å; V64-F107 HydrophobicContact CB-CZ 4.45Å; V64-F107 HydrophobicContact CG1-CD1 4.5Å; V64-F107 HydrophobicContact CG1-CD2 4.16Å; V64-F107 HydrophobicContact CG1-CE1 4.16Å; V64-F107 HydrophobicContact CG1-CE2 3.77Å; V64-F107 HydrophobicContact CG1-CZ 3.78Å; V64-F107 HydrophobicContact CG2-CD1 4.32Å; V64-F107 HydrophobicContact CG2-CE1 4.4Å; V103-F107 HydrophobicContact CG1-CB 3.81Å; V104-F107 HydrophobicContact CG2-CB 3.95Å; V104-F107 HydrophobicContact CG2-CD2 3.28Å; V104-F107 HydrophobicContact CG2-CE2 4.05Å; V104-F107 HydrophobicContact CG2-CG 3.89Å; V104-F107 PolarHBondContact O-N 3.39Å; K105-F107 PolarHBondContact O-N 3.44Å; F107-K109 PolarHBondContact O-N 2.86Å; F107-I112 HydrophobicContact CB-CD1 4.2Å; F107-I112 HydrophobicContact CD1-CD1 3.96Å
108	R	70.6	Confident	67.8	Low	119 Å²	119	62.4 Å²	62.4	45%	0.449	31%	0.311	S	S	.	.	S	Bend	trans	-76.1	-13	-177.6	-63.5	179.9	-168.4	176.8	1.3	115.4	V103 V104 K105	V103-R108 HydrophobicContact CB-CG 4.34Å; V103-R108 HydrophobicContact CG1-CG 4.37Å; V103-R108 PolarHBondContact O-NE 3.11Å; V103-R108 PolarHBondContact O-NH2 3.2Å; V104-R108 WeakPolarHBondContact O-CG 3.31Å; V104-R108 PolarHBondContact O-N 2.63Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; K105-R108 PolarHBondContact O-N 2.88Å
109	K	58.9	Low	66.4	Low	193 Å²	193	62.5 Å²	62.5	84%	0.839	31%	0.31	S	S	*	.	S	Bend	trans	-125.2	2.5	-172.2	-67	-170.2	177	-173.2	0	115.2	F107	F107-K109 PolarHBondContact O-N 2.86Å
110	H	53.4	Low	64.8	Low	83 Å²	83	66 Å²	66	38%	0.384	33%	0.325	S	S	.	.	S	Bend	trans	-102.1	34.9	-175.1	-67.8	94.8	0	0	0	113.2	V5 E106 I112	V5-H110 PolarHBondContact O-CD2 3.42Å; E106-H110 PolarHBondContact O-CE1 2.87Å; E106-H110 VanDerWaalsContact O-CE1 3.32Å; E106-H110 PolarHBondContact O-ND1 2.79Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 2.87Å
111	G	47.3	Very low	63.3	Low	40 Å²	40	65.9 Å²	65.9	41%	0.412	32%	0.324	S	S	.	.	S	Bend	trans	82	2.5	180	0	0	0	0	0	114.7	E113	G111-E113 PolarHBondContact O-N 2.87Å
112	I	45.8	Very low	61.7	Low	20 Å²	20	64.1 Å²	64.1	10%	0.103	32%	0.319	C	S	.	.			trans	-79.3	73	152.5	-35.5	-163.1	0	0	0	105.8	L10 F107 H110	L10-I112 HydrophobicContact CD2-CB 4.43Å; L10-I112 HydrophobicContact CD2-CD1 3.97Å; L10-I112 HydrophobicContact CD2-CG1 3.61Å; L10-I112 HydrophobicContact CG-CG1 4.14Å; F107-I112 HydrophobicContact CB-CD1 4.2Å; F107-I112 HydrophobicContact CD1-CD1 3.96Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 2.87Å
113	E	45.5	Very low	60.2	Low	109 Å²	109	66.5 Å²	66.5	51%	0.509	34%	0.335	S	S	.	.			trans	-56.8	138.9	161.6	-63.8	-150	151.4	0	0	106.5	G111 T115 D116 Y117	G111-E113 PolarHBondContact O-N 2.87Å; E113-T115 WeakPolarHBondContact CB-OG1 3.39Å; E113-T115 CarbonylContact O-C 3.59Å; E113-T115 PolarHBondContact O-N 3.14Å; E113-T115 PolarHBondContact OE2-OG1 3.48Å; E113-D116 PolarHBondContact O-N 2.8Å; E113-Y117 PolarHBondContact O-N 3.28Å
114	P	49.1	Very low	58.6	Low	65 Å²	65	66.6 Å²	66.6	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-45.5	-31.7	172	-28.1	34.5	0	0	0	111	I118	P114-I118 HydrophobicContact CB-CD1 4.23Å; P114-I118 WeakPolarHBondContact O-CB 3.23Å; P114-I118 VanDerWaalsContact O-CD1 3.29Å; P114-I118 WeakPolarHBondContact O-CD1 3.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.28Å; P114-I118 PolarHBondContact O-N 2.91Å
115	T	47.6	Very low	56.9	Low	19 Å²	19	67.3 Å²	67.3	12%	0.117	34%	0.341	C	S	.	.	H	α-helix	trans	-47.6	-54.4	166.8	-10.8	0	0	0	0	115.1	E113 I118 Q119 H142	E113-T115 WeakPolarHBondContact CB-OG1 3.39Å; E113-T115 CarbonylContact O-C 3.59Å; E113-T115 PolarHBondContact O-N 3.14Å; E113-T115 PolarHBondContact OE2-OG1 3.48Å; T115-I118 PolarHBondContact O-N 3.48Å; T115-Q119 VanDerWaalsContact O-CB 3.28Å; T115-Q119 WeakPolarHBondContact O-CB 2.95Å; T115-Q119 WeakPolarHBondContact O-CG 3.44Å; T115-Q119 PolarHBondContact O-N 3.2Å; T115-H142 WeakPolarHBondContact CG2-CD2 3.45Å; T115-H142 WeakPolarHBondContact CG2-NE2 3.2Å
116	D	54.5	Low	55.4	Low	76 Å²	76	62 Å²	62	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-73.2	-37	-177.9	-81	-5.5	0	0	0	112.1	E113 Q119 H120	E113-D116 PolarHBondContact O-N 2.8Å; D116-Q119 PolarHBondContact O-N 3.43Å; D116-H120 WeakPolarHBondContact O-CB 3.48Å; D116-H120 PolarHBondContact O-N 2.78Å
117	Y	54.2	Low	53.7	Low	19 Å²	19	63.3 Å²	63.3	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-45.4	172.3	-176.1	-123.9	0	0	0	111	L15 A57 M66 L101 V103 E113 H120 L121	L15-Y117 HydrophobicContact CD2-CE2 4.34Å; A57-Y117 HydrophobicContact CB-CE2 3.67Å; M66-Y117 VanDerWaalsContact CA-OH 3.3Å; M66-Y117 WeakPolarHBondContact CA-OH 3.36Å; M66-Y117 PolarHBondContact N-OH 3.25Å; L101-Y117 HydrophobicContact CD1-CD1 4.15Å; L101-Y117 HydrophobicContact CD1-CE1 3.73Å; V103-Y117 HydrophobicContact CG2-CD1 4.05Å; V103-Y117 HydrophobicContact CG2-CE1 4.11Å; E113-Y117 PolarHBondContact O-N 3.28Å; Y117-H120 PolarHBondContact O-N 3.31Å; Y117-L121 HydrophobicContact CD1-CD1 3.64Å; Y117-L121 HydrophobicContact CD2-CD1 4.17Å; Y117-L121 HydrophobicContact CD2-CG 4.27Å; Y117-L121 HydrophobicContact CE1-CD1 3.35Å; Y117-L121 HydrophobicContact CE1-CG 4.37Å; Y117-L121 HydrophobicContact CE2-CD1 3.87Å; Y117-L121 HydrophobicContact CE2-CD2 4.31Å; Y117-L121 HydrophobicContact CE2-CG 4.03Å; Y117-L121 HydrophobicContact CG-CD1 4.05Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.47Å; Y117-L121 VanDerWaalsContact O-CB 3.24Å; Y117-L121 WeakPolarHBondContact O-CB 3.09Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.77Å
118	I	55.3	Low	52.4	Low	33 Å²	33	68 Å²	68	17%	0.169	36%	0.362	C	S	.	.	H	α-helix	trans	-70.3	-30.6	177.1	-67.4	166.1	0	0	0	111.4	L101 P114 T115 G122 Y138 L145	L101-I118 HydrophobicContact CD2-CD1 4.02Å; L101-I118 HydrophobicContact CD2-CG1 4.25Å; P114-I118 HydrophobicContact CB-CD1 4.23Å; P114-I118 WeakPolarHBondContact O-CB 3.23Å; P114-I118 VanDerWaalsContact O-CD1 3.29Å; P114-I118 WeakPolarHBondContact O-CD1 3.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.28Å; P114-I118 PolarHBondContact O-N 2.91Å; T115-I118 PolarHBondContact O-N 3.48Å; I118-G122 VanDerWaalsContact O-CA 3.29Å; I118-G122 WeakPolarHBondContact O-CA 3.38Å; I118-G122 PolarHBondContact O-N 2.79Å; I118-Y138 HydrophobicContact CG2-CE2 3.95Å; I118-L145 HydrophobicContact CD1-CD1 3.86Å
119	Q	57.7	Low	51.1	Low	94 Å²	94	65.8 Å²	65.8	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-47.7	171.9	-81.9	-179.1	25.9	0	0	110.6	T115 D116 G122 S123 Y138	T115-Q119 VanDerWaalsContact O-CB 3.28Å; T115-Q119 WeakPolarHBondContact O-CB 2.95Å; T115-Q119 WeakPolarHBondContact O-CG 3.44Å; T115-Q119 PolarHBondContact O-N 3.2Å; D116-Q119 PolarHBondContact O-N 3.43Å; Q119-G122 PolarHBondContact O-N 3.08Å; Q119-S123 WeakPolarHBondContact O-CB 3.24Å; Q119-S123 PolarHBondContact O-N 3.19Å; Q119-S123 PolarHBondContact O-OG 2.67Å; Q119-Y138 WeakPolarHBondContact CA-OH 3.17Å; Q119-Y138 HydrophobicContact CG-CE1 4.45Å; Q119-Y138 WeakPolarHBondContact CG-OH 3.47Å; Q119-Y138 PolarHBondContact N-OH 2.84Å
120	H	56.9	Low	50.4	Low	120 Å²	120	61.8 Å²	61.8	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-67.9	-36.8	179.5	-150.1	110.5	0	0	0	111.7	L15 D116 Y117 S123 A124	L15-H120 VanDerWaalsContact CD1-CD2 3.45Å; L15-H120 WeakPolarHBondContact CD1-CD2 3.48Å; D116-H120 WeakPolarHBondContact O-CB 3.48Å; D116-H120 PolarHBondContact O-N 2.78Å; Y117-H120 PolarHBondContact O-N 3.31Å; H120-S123 PolarHBondContact O-OG 2.79Å; H120-A124 WeakPolarHBondContact O-CB 3.45Å; H120-A124 PolarHBondContact O-N 3.12Å; H120-A124 VanDerWaalsContact O-N 3.08Å
121	L	56	Low	49.5	Very low	1 Å²	1	62.7 Å²	62.7	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-70.4	-40.9	171.4	-73.2	175.9	0	0	0	112.1	L55 I67 L101 Y117 S123 A124 L125	L55-L121 HydrophobicContact CB-CD2 4.37Å; L55-L121 HydrophobicContact CD2-CD2 3.22Å; L55-L121 HydrophobicContact CG-CD2 4.3Å; I67-L121 HydrophobicContact CB-CD1 3.78Å; I67-L121 HydrophobicContact CD1-CD1 4Å; I67-L121 HydrophobicContact CG1-CD1 4.49Å; I67-L121 HydrophobicContact CG2-CD1 3.53Å; I67-L121 HydrophobicContact CG2-CD2 3.55Å; I67-L121 HydrophobicContact CG2-CG 4.11Å; L101-L121 HydrophobicContact CD1-CD1 4.41Å; Y117-L121 HydrophobicContact CD1-CD1 3.64Å; Y117-L121 HydrophobicContact CD2-CD1 4.17Å; Y117-L121 HydrophobicContact CD2-CG 4.27Å; Y117-L121 HydrophobicContact CE1-CD1 3.35Å; Y117-L121 HydrophobicContact CE1-CG 4.37Å; Y117-L121 HydrophobicContact CE2-CD1 3.87Å; Y117-L121 HydrophobicContact CE2-CD2 4.31Å; Y117-L121 HydrophobicContact CE2-CG 4.03Å; Y117-L121 HydrophobicContact CG-CD1 4.05Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.47Å; Y117-L121 VanDerWaalsContact O-CB 3.24Å; Y117-L121 WeakPolarHBondContact O-CB 3.09Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.77Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 3.26Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 VanDerWaalsContact O-CG 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 2.86Å
122	G	54.9	Low	49.3	Very low	20 Å²	20	65.6 Å²	65.6	21%	0.206	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-37.5	178.5	0	0	0	0	0	111.6	I118 Q119 A126	I118-G122 VanDerWaalsContact O-CA 3.29Å; I118-G122 WeakPolarHBondContact O-CA 3.38Å; I118-G122 PolarHBondContact O-N 2.79Å; Q119-G122 PolarHBondContact O-N 3.08Å; G122-A126 WeakPolarHBondContact O-CB 3.36Å; G122-A126 PolarHBondContact O-N 3.4Å
123	S	55.5	Low	49.5	Very low	57 Å²	57	68.9 Å²	68.9	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-70.8	-41	172.2	66.4	0	0	0	0	112	Q119 H120 L121 L125 A126 N127	Q119-S123 WeakPolarHBondContact O-CB 3.24Å; Q119-S123 PolarHBondContact O-N 3.19Å; Q119-S123 PolarHBondContact O-OG 2.67Å; H120-S123 PolarHBondContact O-OG 2.79Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 2.88Å; S123-L125 PolarHBondContact O-N 3.44Å; S123-A126 PolarHBondContact O-N 2.79Å; S123-N127 WeakPolarHBondContact O-CB 3.32Å; S123-N127 VanDerWaalsContact O-CG 3.22Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.94Å
124	A	50.8	Low	49.3	Very low	27 Å²	27	66.5 Å²	66.5	22%	0.223	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-42.6	173	0	0	0	0	0	112.3	H120 L121 N127 L128	H120-A124 WeakPolarHBondContact O-CB 3.45Å; H120-A124 PolarHBondContact O-N 3.12Å; H120-A124 VanDerWaalsContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 3.26Å; A124-N127 PolarHBondContact O-N 3.09Å; A124-L128 WeakPolarHBondContact O-CG 3.47Å
125	L	49	Very low	49.1	Very low	35 Å²	35	70 Å²	70	18%	0.183	41%	0.409	C	S	.	.	H	α-helix	trans	-67	-38.6	174	-74.9	170.5	0	0	0	112	F53 L121 S123 N127 L128	F53-L125 HydrophobicContact CD1-CD2 3.32Å; F53-L125 HydrophobicContact CD1-CG 4.24Å; F53-L125 HydrophobicContact CD2-CD2 4.32Å; F53-L125 HydrophobicContact CE1-CD2 3.41Å; F53-L125 VanDerWaalsContact CE1-CD2 3.41Å; F53-L125 HydrophobicContact CE1-CG 3.91Å; F53-L125 HydrophobicContact CE2-CD2 4.42Å; F53-L125 HydrophobicContact CG-CD2 3.77Å; F53-L125 HydrophobicContact CZ-CD2 3.98Å; F53-L125 HydrophobicContact CZ-CG 4.48Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 VanDerWaalsContact O-CG 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 2.86Å; S123-L125 PolarHBondContact O-N 3.44Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.04Å; L125-L128 PolarHBondContact O-N 2.86Å
126	A	48.9	Very low	48.6	Very low	46 Å²	46	78.9 Å²	78.9	38%	0.38	44%	0.44	S	S	.	.	H	α-helix	trans	-66.3	-34.6	176.9	0	0	0	0	0	112.4	G122 S123 L128 S129	G122-A126 WeakPolarHBondContact O-CB 3.36Å; G122-A126 PolarHBondContact O-N 3.4Å; S123-A126 PolarHBondContact O-N 2.79Å; A126-L128 PolarHBondContact O-N 3.26Å; A126-S129 WeakPolarHBondContact O-CB 3.42Å; A126-S129 PolarHBondContact O-OG 3.28Å
127	N	44.1	Very low	48.3	Very low	138 Å²	138	79.3 Å²	79.3	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.9	177.1	-72.7	-26.5	0	0	0	113.6	S123 A124 L125 S129	S123-N127 WeakPolarHBondContact O-CB 3.32Å; S123-N127 VanDerWaalsContact O-CG 3.22Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.94Å; A124-N127 PolarHBondContact O-N 3.09Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.04Å; N127-S129 VanDerWaalsContact C-N 3.29Å; N127-S129 PolarHBondContact O-N 2.83Å
128	L	44.8	Very low	48	Very low	114 Å²	114	81 Å²	81	60%	0.597	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	17.9	177.8	-69.3	167.2	0	0	0	113.9	F53 A124 L125 A126	F53-L128 HydrophobicContact CD2-CD1 3.73Å; F53-L128 HydrophobicContact CE2-CD1 3.25Å; F53-L128 HydrophobicContact CZ-CD1 3.99Å; A124-L128 WeakPolarHBondContact O-CG 3.47Å; L125-L128 PolarHBondContact O-N 2.86Å; A126-L128 PolarHBondContact O-N 3.26Å
129	S	42.5	Very low	47.6	Very low	72 Å²	72	87.7 Å²	87.7	50%	0.503	47%	0.471	S	S	.	.			trans	-65.3	148.7	-173.6	-78.9	0	0	0	0	114.3	A126 N127	A126-S129 WeakPolarHBondContact O-CB 3.42Å; A126-S129 PolarHBondContact O-OG 3.28Å; N127-S129 VanDerWaalsContact C-N 3.29Å; N127-S129 PolarHBondContact O-N 2.83Å
130	P	44.2	Very low	46.7	Very low	109 Å²	109	89.2 Å²	89.2	71%	0.708	48%	0.478	S	S	*	.	S	Bend		-132.3	126.7	62.8	33.3	-15.9	0	0	0	112.3
131	C	35.5	Very low	46.1	Very low	102 Å²	102	85.6 Å²	85.6	69%	0.689	47%	0.469	S	S	*	.	S	Bend	cis	-170	136.5	47.1	31.1	0	0	0	0	109.5
132	S	42.3	Very low	45.7	Very low	102 Å²	102	88.5 Å²	88.5	71%	0.713	48%	0.483	S	S	*	.			trans	57.4	70.3	159.3	-41.6	0	0	0	0	116.3	P134	S132-P134 WeakPolarHBondContact O-CD 3.49Å; S132-P134 VanDerWaalsContact O-N 3.16Å
133	I	49.3	Very low	44.8	Very low	89 Å²	89	91.2 Å²	91.2	46%	0.456	50%	0.499	S	S	.	.			trans	-67.8	107.9	146.1	-60	176.1	0	0	0	104.6	H135 I137	I133-H135 PolarHBondContact O-N 3.49Å; I133-I137 HydrophobicContact CG2-CB 4.4Å
134	P	42.4	Very low	44.2	Very low	58 Å²	58	93.2 Å²	93.2	38%	0.377	50%	0.504	S	S	.	.			trans	-62	131.6	-179.6	-14.2	30.5	0	0	0	106.4	S132 R136 I137	S132-P134 WeakPolarHBondContact O-CD 3.49Å; S132-P134 VanDerWaalsContact O-N 3.16Å; P134-R136 HydrophobicContact CB-CB 4.35Å; P134-R136 CarbonylContact O-C 3.58Å; P134-R136 PolarHBondContact O-N 3.49Å; P134-I137 HydrophobicContact CG-CD1 4.13Å; P134-I137 HydrophobicContact CG-CG1 4.24Å; P134-I137 PolarHBondContact O-N 2.95Å
135	H	44.9	Very low	44	Very low	138 Å²	138	95.8 Å²	95.8	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-47.1	-20.6	173	-162.2	77.4	0	0	0	112.8	I133 R139	I133-H135 PolarHBondContact O-N 3.49Å; H135-R139 PolarHBondContact O-N 3.29Å; H135-R139 VanDerWaalsContact O-N 3.12Å
136	R	36.8	Very low	43.7	Very low	206 Å²	206	97 Å²	97	78%	0.777	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-46.1	169.7	-71.1	-170	172.1	-151.1	-1.3	114.8	P134 Y138 R139 Q140	P134-R136 HydrophobicContact CB-CB 4.35Å; P134-R136 CarbonylContact O-C 3.58Å; P134-R136 PolarHBondContact O-N 3.49Å; R136-Y138 VanDerWaalsContact C-N 3.29Å; R136-Y138 PolarHBondContact O-N 3.46Å; R136-R139 PolarHBondContact O-N 3.21Å; R136-Q140 WeakPolarHBondContact O-CB 3.33Å; R136-Q140 PolarHBondContact O-N 2.64Å
137	I	48.3	Very low	43.2	Very low	85 Å²	85	98.8 Å²	98.8	44%	0.436	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-41.3	179.9	-62.7	-176.4	0	0	0	109.8	I133 P134 Q140 A141	I133-I137 HydrophobicContact CG2-CB 4.4Å; P134-I137 HydrophobicContact CG-CD1 4.13Å; P134-I137 HydrophobicContact CG-CG1 4.24Å; P134-I137 PolarHBondContact O-N 2.95Å; I137-Q140 PolarHBondContact O-N 3.21Å; I137-A141 VanDerWaalsContact O-CB 3.31Å; I137-A141 WeakPolarHBondContact O-CB 3.38Å; I137-A141 PolarHBondContact O-N 3.08Å
138	Y	48.6	Very low	42.9	Very low	54 Å²	54	100.1 Å²	100.1	21%	0.212	53%	0.534	C	S	.	.	H	α-helix	trans	-57.4	-50.6	172.9	-178.4	-93.7	0	0	0	112	I118 Q119 R136 Q140 H142	I118-Y138 HydrophobicContact CG2-CE2 3.95Å; Q119-Y138 WeakPolarHBondContact CA-OH 3.17Å; Q119-Y138 HydrophobicContact CG-CE1 4.45Å; Q119-Y138 WeakPolarHBondContact CG-OH 3.47Å; Q119-Y138 PolarHBondContact N-OH 2.84Å; R136-Y138 VanDerWaalsContact C-N 3.29Å; R136-Y138 PolarHBondContact O-N 3.46Å; Y138-Q140 VanDerWaalsContact C-N 3.34Å; Y138-Q140 PolarHBondContact O-N 3Å; Y138-H142 WeakPolarHBondContact O-CB 3.48Å; Y138-H142 PolarHBondContact O-N 2.82Å
139	R	45.4	Very low	42.6	Very low	174 Å²	174	99.1 Å²	99.1	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-34.5	176.4	-83.9	-170.1	168.5	-164.4	-4.4	113.6	H135 R136 S143	H135-R139 PolarHBondContact O-N 3.29Å; H135-R139 VanDerWaalsContact O-N 3.12Å; R136-R139 PolarHBondContact O-N 3.21Å; R139-S143 WeakPolarHBondContact O-CB 3.32Å; R139-S143 PolarHBondContact O-N 2.89Å
140	Q	39.3	Very low	42.1	Very low	127 Å²	127	101.7 Å²	101.7	59%	0.593	54%	0.543	S	S	*	.	H	α-helix	trans	-75.5	-42.9	-177.9	-136.4	164.3	-11.9	0	0	111	R136 I137 Y138 H142 S143 L144	R136-Q140 WeakPolarHBondContact O-CB 3.33Å; R136-Q140 PolarHBondContact O-N 2.64Å; I137-Q140 PolarHBondContact O-N 3.21Å; Y138-Q140 VanDerWaalsContact C-N 3.34Å; Y138-Q140 PolarHBondContact O-N 3Å; Q140-H142 VanDerWaalsContact C-N 3.34Å; Q140-S143 PolarHBondContact O-N 2.84Å; Q140-L144 WeakPolarHBondContact O-CB 3.41Å; Q140-L144 VanDerWaalsContact O-CG 3.27Å; Q140-L144 WeakPolarHBondContact O-CG 3.41Å; Q140-L144 PolarHBondContact O-N 2.8Å
141	A	44.4	Very low	41.9	Very low	44 Å²	44	105.4 Å²	105.4	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-44	171.6	0	0	0	0	0	110.9	I137 L144 L145	I137-A141 VanDerWaalsContact O-CB 3.31Å; I137-A141 WeakPolarHBondContact O-CB 3.38Å; I137-A141 PolarHBondContact O-N 3.08Å; A141-L144 PolarHBondContact O-N 2.92Å; A141-L145 VanDerWaalsContact O-CB 3.25Å; A141-L145 WeakPolarHBondContact O-CB 3.47Å; A141-L145 WeakPolarHBondContact O-CD1 3.2Å; A141-L145 WeakPolarHBondContact O-CG 3.12Å; A141-L145 PolarHBondContact O-N 3.04Å
142	H	47.7	Very low	41.8	Very low	61 Å²	61	105.6 Å²	105.6	28%	0.282	55%	0.546	S	S	.	.	H	α-helix	trans	-60.1	-47.3	173.9	179.8	-57.6	0	0	0	112.3	T115 Y138 Q140 L144 L145 C146	T115-H142 WeakPolarHBondContact CG2-CD2 3.45Å; T115-H142 WeakPolarHBondContact CG2-NE2 3.2Å; Y138-H142 WeakPolarHBondContact O-CB 3.48Å; Y138-H142 PolarHBondContact O-N 2.82Å; Q140-H142 VanDerWaalsContact C-N 3.34Å; H142-L144 PolarHBondContact O-N 3.47Å; H142-L145 PolarHBondContact O-N 2.87Å; H142-C146 VanDerWaalsContact CE1-SG 3.54Å; H142-C146 PolarHBondContact ND1-SG 3.5Å; H142-C146 VanDerWaalsContact ND1-SG 3.4Å; H142-C146 WeakPolarHBondContact O-CB 3.06Å; H142-C146 PolarHBondContact O-N 3.3Å; H142-C146 PolarHBondContact O-SG 3Å
143	S	37	Very low	41.8	Very low	78 Å²	78	105.8 Å²	105.8	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-38.8	179.7	-172.3	0	0	0	0	112.6	R139 Q140 S147	R139-S143 WeakPolarHBondContact O-CB 3.32Å; R139-S143 PolarHBondContact O-N 2.89Å; Q140-S143 PolarHBondContact O-N 2.84Å; S143-S147 PolarHBondContact O-N 2.77Å; S143-S147 VanDerWaalsContact O-N 3.17Å
144	L	41.6	Very low	41.2	Very low	98 Å²	98	108.3 Å²	108.3	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-69.4	-43.9	177.4	-72.7	167.3	0	0	0	110.6	Q140 A141 H142 C146 S147 F148	Q140-L144 WeakPolarHBondContact O-CB 3.41Å; Q140-L144 VanDerWaalsContact O-CG 3.27Å; Q140-L144 WeakPolarHBondContact O-CG 3.41Å; Q140-L144 PolarHBondContact O-N 2.8Å; A141-L144 PolarHBondContact O-N 2.92Å; H142-L144 PolarHBondContact O-N 3.47Å; L144-C146 PolarHBondContact O-N 3.12Å; L144-S147 WeakPolarHBondContact O-CB 3.4Å; L144-S147 PolarHBondContact O-N 3.18Å; L144-S147 PolarHBondContact O-OG 3.43Å; L144-F148 WeakPolarHBondContact O-CD2 3.47Å; L144-F148 PolarHBondContact O-N 3.34Å; L144-F148 VanDerWaalsContact O-N 3.16Å
145	L	46.1	Very low	40.8	Very low	81 Å²	81	110 Å²	110	42%	0.424	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-37.2	176.7	-71.1	167.5	0	0	0	112.3	I118 A141 H142 S147 F148 L149	I118-L145 HydrophobicContact CD1-CD1 3.86Å; A141-L145 VanDerWaalsContact O-CB 3.25Å; A141-L145 WeakPolarHBondContact O-CB 3.47Å; A141-L145 WeakPolarHBondContact O-CD1 3.2Å; A141-L145 WeakPolarHBondContact O-CG 3.12Å; A141-L145 PolarHBondContact O-N 3.04Å; H142-L145 PolarHBondContact O-N 2.87Å; L145-S147 PolarHBondContact O-N 2.74Å; L145-F148 PolarHBondContact O-N 2.77Å; L145-L149 PolarHBondContact O-N 3.46Å
146	C	43.9	Very low	40.4	Very low	61 Å²	61	110 Å²	110	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-63.8	-28.2	171	-70.4	0	0	0	0	112.8	H142 L144	H142-C146 VanDerWaalsContact CE1-SG 3.54Å; H142-C146 PolarHBondContact ND1-SG 3.5Å; H142-C146 VanDerWaalsContact ND1-SG 3.4Å; H142-C146 WeakPolarHBondContact O-CB 3.06Å; H142-C146 PolarHBondContact O-N 3.3Å; H142-C146 PolarHBondContact O-SG 3Å; L144-C146 PolarHBondContact O-N 3.12Å
147	S	38.7	Very low	40.6	Very low	84 Å²	84	109.9 Å²	109.9	59%	0.587	59%	0.589	S	S	*	*	H	α-helix	trans	-80.2	-20.9	176.6	73.7	0	0	0	0	114.2	S143 L144 L145	S143-S147 PolarHBondContact O-N 2.77Å; S143-S147 VanDerWaalsContact O-N 3.17Å; L144-S147 WeakPolarHBondContact O-CB 3.4Å; L144-S147 PolarHBondContact O-N 3.18Å; L144-S147 PolarHBondContact O-OG 3.43Å; L145-S147 PolarHBondContact O-N 2.74Å
148	F	36.8	Very low	39.7	Very low	166 Å²	166	109.4 Å²	109.4	73%	0.728	60%	0.604	S	S	*	*	H	α-helix	trans	-84.7	-9.4	174	-80.4	-72.5	0	0	0	113.4	L144 L145	L144-F148 WeakPolarHBondContact O-CD2 3.47Å; L144-F148 PolarHBondContact O-N 3.34Å; L144-F148 VanDerWaalsContact O-N 3.16Å; L145-F148 PolarHBondContact O-N 2.77Å
149	L	38.1	Very low	38.7	Very low	92 Å²	92	110.8 Å²	110.8	48%	0.482	64%	0.635	S	S	.	*	S	Bend	trans	-93.9	122.5	169.9	-65.9	171.2	0	0	0	108.4	L145 W151	L145-L149 PolarHBondContact O-N 3.46Å; L149-W151 PolarHBondContact O-N 3.16Å
150	P	33.3	Very low	38	Very low	126 Å²	126	109.5 Å²	109.5	82%	0.818	64%	0.64	S	S	*	*			trans	-72.8	103.5	178.1	28.7	-29.6	0	0	0	108.2
151	W	39.4	Very low	37.5	Very low	187 Å²	187	111.8 Å²	111.8	71%	0.708	65%	0.65	S	S	*	*			trans	-124.8	97.7	165.5	-140.5	-62.8	0	0	0	110.8	L149 I154	L149-W151 PolarHBondContact O-N 3.16Å; W151-I154 HydrophobicContact CZ2-CD1 4.05Å
152	S	34	Very low	36.7	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	67%	0.673	S	S	*	*			trans	-78.8	122.6	150.7	51.2	0	0	0	0	108.5
153	S	41.5	Very low	35.9	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	70%	0.695	S	S	*	*			trans	79.8	89.7	158.7	-47.3	0	0	0	0	117.1
154	I	36.9	Very low	35.7	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	71%	0.713	S	S	*	*			trans	-131.4	121	133.6	-64	-177.1	0	0	0	108.9	W151	W151-I154 HydrophobicContact CZ2-CD1 4.05Å
155	S	34.3	Very low	35.2	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	73%	0.728	S	S	*	*			trans	-55.1	133.7	-178.8	176.2	0	0	0	0	113.1	K157	S155-K157 PolarHBondContact O-N 3.05Å
156	T	36.8	Very low	34.6	Very low	139 Å²	139	140.2 Å²	140.2	85%	0.853	77%	0.769	S	S	*	*			trans	-49.6	105.3	159.6	35.7	0	0	0	0	111.4
157	K	39.5	Very low	34.2	Very low	203 Å²	203	144.2 Å²	144.2	88%	0.883	79%	0.787	S	S	*	*			trans	-149.1	117.2	151.7	-79.8	-161.8	177.6	179.5	0	109.3	S155	S155-K157 PolarHBondContact O-N 3.05Å
158	G	30.1	Very low	33.9	Very low	74 Å²	74	147.3 Å²	147.3	76%	0.763	80%	0.797	S	S	*	*			trans	144.8	59.6	172.1	0	0	0	0	0	112.6
159	G	28.9	Very low	33.8	Very low	83 Å²	83	146.3 Å²	146.3	86%	0.856	80%	0.801	S	S	*	*			trans	-66.1	131.3	166.9	0	0	0	0	0	109.8
160	I	29.4	Very low	33.5	Very low	148 Å²	148	149.5 Å²	149.5	76%	0.759	82%	0.82	S	S	*	*			trans	-110.8	106	164	-61.3	179.7	0	0	0	106.3	Y162	I160-Y162 HydrophobicContact CG2-CE2 4.49Å
161	E	28.8	Very low	33.5	Very low	174 Å²	174	150.9 Å²	150.9	81%	0.813	82%	0.82	S	S	*	*			trans	-74	121.7	174.2	-171.4	176.7	175.1	0	0	108.8
162	Y	28.5	Very low	33.1	Very low	215 Å²	215	148.5 Å²	148.5	84%	0.843	83%	0.827	S	S	*	*			trans	-91.2	101.3	170.1	-87	-88.9	0	0	0	108.9	I160 R164	I160-Y162 HydrophobicContact CG2-CE2 4.49Å; Y162-R164 PolarHBondContact O-N 3.23Å
163	S	30.9	Very low	33.1	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	83%	0.833	S	S	*	*			trans	-64.6	119.5	169.3	-64.8	0	0	0	0	110.3
164	R	31.8	Very low	32.4	Very low	242 Å²	242	155.1 Å²	155.1	91%	0.913	84%	0.84	S	S	*	*			trans	-95	107.4	174	-172.1	178.1	175.5	-179.8	-1.7	107.6	Y162	Y162-R164 PolarHBondContact O-N 3.23Å
165	T	32.2	Very low	32	Very low	134 Å²	134	156.2 Å²	156.2	82%	0.822	85%	0.85	S	S	*	*			trans	-82.4	131.4	165.9	44.4	0	0	0	0	109.1
166	M	33.3	Very low	31.8	Very low	261 Å²	261	161.8 Å²	161.8	100%	1.286	87%	0.867	S	S	*	*			trans	-58.9	0	175.6	-68.8	-172.4	-175.3	0	0	112.6

Retrieved 166 of 166 residues in 29.4 ms (Link to these results)

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