TRH41_ORYSJ Loading...

Thioredoxin H4-1

Probable thiol-disulfide oxidoreductase that may be involved in the redox regulation of a number of cytosolic enzymes.

AlphaFold DB , UniProt , Accession Q9AS75, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 131 aa.

						>TRH41_ORYSJ|Q9AS75
MGSCVGKERSDEEDKIDFKGGNVHVISNKENWDHKIAEANKDGKIVIANFSAAWCGPCRVIAPVYAEMSQTYPQFMFLTIDVDELMDFSSSWDIRATPTFFFLKNGEQVDKLVGANKPELEKKVAALADSA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.9	Low	52.9	Low	242 Å²	242	136.5 Å²	136.5	100%	1.192	78%	0.783	S	S	*	*				0	86.4	0	-68.5	178.1	-79.4	0	0	107.4	S3	M1-S3 PolarHBondContact O-N 3.46Å
2	G	59.6	Low	52.9	Low	78 Å²	78	139.2 Å²	139.2	80%	0.804	78%	0.783	S	S	*	*			trans	-81.4	104.2	171.3	0	0	0	0	0	107.1	C4	G2-C4 PolarHBondContact O-N 2.96Å; G2-C4 VanDerWaalsContact O-N 3.17Å
3	S	51.6	Low	52.6	Low	110 Å²	110	138.7 Å²	138.7	77%	0.769	77%	0.771	S	S	*	*			trans	-56	120.4	174.1	-75.9	0	0	0	0	108.9	M1 V5	M1-S3 PolarHBondContact O-N 3.46Å; S3-V5 VanDerWaalsContact C-N 3.31Å; S3-V5 PolarHBondContact O-N 3.32Å
4	C	57.9	Low	53.3	Low	128 Å²	128	136.4 Å²	136.4	87%	0.865	76%	0.756	S	S	*	*			trans	-56.5	99.6	162	-59.2	0	0	0	0	107	G2 G6	G2-C4 PolarHBondContact O-N 2.96Å; G2-C4 VanDerWaalsContact O-N 3.17Å; C4-G6 VanDerWaalsContact C-N 3.27Å; C4-G6 PolarHBondContact O-N 3.27Å
5	V	60.4	Low	54.7	Low	129 Å²	129	139.6 Å²	139.6	78%	0.782	76%	0.759	S	S	*	*			trans	-64.6	100.2	165	172.6	0	0	0	0	104.8	S3 K7	S3-V5 VanDerWaalsContact C-N 3.31Å; S3-V5 PolarHBondContact O-N 3.32Å; V5-K7 PolarHBondContact O-N 2.97Å
6	G	52.4	Low	56.6	Low	63 Å²	63	132.2 Å²	132.2	65%	0.649	72%	0.719	S	S	*	*			trans	-57.5	95.7	164.2	0	0	0	0	0	106.6	C4 E8	C4-G6 VanDerWaalsContact C-N 3.27Å; C4-G6 PolarHBondContact O-N 3.27Å; G6-E8 PolarHBondContact O-N 2.96Å
7	K	52.7	Low	58.6	Low	157 Å²	157	130.5 Å²	130.5	68%	0.683	71%	0.709	S	S	*	*			trans	-67	99.1	160.4	-176.1	179.2	172.1	77.5	0	103.8	V5 R9	V5-K7 PolarHBondContact O-N 2.97Å; K7-R9 HydrophobicContact CG-CG 4.45Å; K7-R9 PolarHBondContact O-N 3.47Å
8	E	45.3	Very low	60.6	Low	186 Å²	186	124.6 Å²	124.6	87%	0.869	68%	0.676	S	S	*	*			trans	-48	95.6	156.8	-69.6	166.9	138.8	0	0	105.7	G6 S10	G6-E8 PolarHBondContact O-N 2.96Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.19Å
9	R	50.4	Low	62.4	Low	182 Å²	182	125.8 Å²	125.8	69%	0.687	67%	0.674	S	S	*	*			trans	-77.6	100.1	165.5	-79.1	-170.5	179	-166.2	-2.5	103.5	K7 D11	K7-R9 HydrophobicContact CG-CG 4.45Å; K7-R9 PolarHBondContact O-N 3.47Å; R9-D11 PolarHBondContact O-N 2.6Å
10	S	47.4	Very low	64	Low	61 Å²	61	120.1 Å²	120.1	43%	0.427	65%	0.646	S	S	.	*			trans	-41.9	121.1	168.6	43.8	0	0	0	0	109.4	E8 E12 E13	E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.19Å; S10-E12 PolarHBondContact O-N 3.48Å; S10-E13 PolarHBondContact O-N 3.38Å
11	D	49.1	Very low	65.6	Low	165 Å²	165	116.2 Å²	116.2	88%	0.882	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	6.6	174.1	-64.3	-61.4	0	0	0	113.9	R9	R9-D11 PolarHBondContact O-N 2.6Å
12	E	52.5	Low	67.6	Low	169 Å²	169	108.7 Å²	108.7	79%	0.79	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-13.4	174.9	-70.2	-178.7	143.3	0	0	113.5	S10 D14	S10-E12 PolarHBondContact O-N 3.48Å; E12-D14 VanDerWaalsContact C-N 3.32Å; E12-D14 PolarHBondContact O-N 3.12Å
13	E	50.2	Low	69.5	Low	133 Å²	133	105.6 Å²	105.6	62%	0.621	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-8.1	-174.9	-71.1	-174.1	164.1	0	0	115.2	S10	S10-E13 PolarHBondContact O-N 3.38Å
14	D	62	Low	71.7	Confident	106 Å²	106	103.8 Å²	103.8	57%	0.567	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-2.3	-168.8	-101	-44.7	0	0	0	116.8	E12 R59	E12-D14 VanDerWaalsContact C-N 3.32Å; E12-D14 PolarHBondContact O-N 3.12Å; D14-R59 PolarHBondContact O-NH2 3.21Å; D14-R59 IonicContact OD1-CZ 3.86Å; D14-R59 IonicContact OD1-NH1 3.03Å; D14-R59 PolarHBondContact OD1-NH1 2.99Å; D14-R59 IonicContact OD1-NH2 3.04Å; D14-R59 PolarHBondContact OD1-NH2 3.22Å
15	K	74	Confident	73.7	Confident	185 Å²	185	99.9 Å²	99.9	80%	0.804	52%	0.516	S	S	*	.			trans	-82.6	124.8	-179.8	-68.7	-174.8	-178.7	178.2	0	111.2	D17	K15-D17 PolarHBondContact O-N 3.16Å
16	I	84.8	Confident	75.5	Confident	21 Å²	21	94 Å²	94	11%	0.108	48%	0.479	C	S	.	.			trans	-66.3	123.8	173.1	-51.7	179	0	0	0	108.5	F18 A53 C58 R59 A62	I16-F18 HydrophobicContact CB-CD1 4.37Å; I16-F18 HydrophobicContact CB-CE1 3.93Å; I16-F18 HydrophobicContact CB-CZ 4.03Å; I16-F18 HydrophobicContact CD1-CE1 4.32Å; I16-F18 HydrophobicContact CD1-CZ 4.13Å; I16-F18 HydrophobicContact CG2-CD1 3.67Å; I16-F18 HydrophobicContact CG2-CE1 3.35Å; I16-F18 HydrophobicContact CG2-CZ 3.98Å; I16-F18 PolarHBondContact O-N 3.39Å; I16-A53 VanDerWaalsContact CD1-O 3.23Å; I16-A53 WeakPolarHBondContact CD1-O 3.24Å; I16-C58 HydrophobicContact CD1-CB 4.21Å; I16-R59 HydrophobicContact CD1-CB 3.81Å; I16-R59 HydrophobicContact CG1-CB 3.96Å; I16-R59 HydrophobicContact CG1-CG 4.13Å; I16-A62 HydrophobicContact CG2-CB 3.63Å
17	D	90.7	Very high	77.5	Confident	103 Å²	103	95 Å²	95	55%	0.551	48%	0.476	S	S	*	.			trans	-79.9	98.9	172.5	-179	17.9	0	0	0	110.6	K15 K19 G20	K15-D17 PolarHBondContact O-N 3.16Å; D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.86Å; D17-K19 WeakPolarHBondContact OD1-CA 3.49Å; D17-K19 WeakPolarHBondContact OD1-CB 3.41Å; D17-K19 PolarHBondContact OD1-N 3.42Å; D17-G20 PolarHBondContact OD1-N 3.4Å; D17-G20 PolarHBondContact OD2-N 2.83Å
18	F	94.5	Very high	79.6	Confident	25 Å²	25	90.8 Å²	90.8	11%	0.11	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.3	173.6	-65.2	-40.5	0	0	0	114	I16 V23 V25 S51 T79	I16-F18 HydrophobicContact CB-CD1 4.37Å; I16-F18 HydrophobicContact CB-CE1 3.93Å; I16-F18 HydrophobicContact CB-CZ 4.03Å; I16-F18 HydrophobicContact CD1-CE1 4.32Å; I16-F18 HydrophobicContact CD1-CZ 4.13Å; I16-F18 HydrophobicContact CG2-CD1 3.67Å; I16-F18 HydrophobicContact CG2-CE1 3.35Å; I16-F18 HydrophobicContact CG2-CZ 3.98Å; I16-F18 PolarHBondContact O-N 3.39Å; F18-V23 WeakPolarHBondContact O-CG1 3.49Å; F18-V25 HydrophobicContact CB-CG2 3.72Å; F18-V25 VanDerWaalsContact O-CG2 3.24Å; F18-V25 WeakPolarHBondContact O-CG2 3.46Å; F18-S51 WeakPolarHBondContact CE1-OG 3.33Å; F18-T79 HydrophobicContact CB-CG2 3.69Å; F18-T79 HydrophobicContact CD1-CG2 3.67Å; F18-T79 HydrophobicContact CD2-CG2 4.19Å; F18-T79 HydrophobicContact CE1-CG2 4.3Å; F18-T79 HydrophobicContact CG-CG2 3.6Å
19	K	94.4	Very high	82.1	Confident	147 Å²	147	86.6 Å²	86.6	64%	0.639	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	9.4	-178.3	-66	-178.9	179.6	178.8	0	113.5	D17 V25	D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.86Å; D17-K19 WeakPolarHBondContact OD1-CA 3.49Å; D17-K19 WeakPolarHBondContact OD1-CB 3.41Å; D17-K19 PolarHBondContact OD1-N 3.42Å; K19-V25 HydrophobicContact CD-CG2 4.38Å; K19-V25 HydrophobicContact CG-CB 4.25Å; K19-V25 HydrophobicContact CG-CG2 3.41Å; K19-V25 VanDerWaalsContact CG-CG2 3.41Å
20	G	95.7	Very high	84.4	Confident	12 Å²	12	83.7 Å²	83.7	12%	0.124	44%	0.435	C	S	.	.	S	Bend	trans	-59.3	144.1	179.5	0	0	0	0	0	112.7	D17 N22 V23 A66	D17-G20 PolarHBondContact OD1-N 3.4Å; D17-G20 PolarHBondContact OD2-N 2.83Å; G20-N22 PolarHBondContact O-N 3.3Å; G20-V23 WeakPolarHBondContact O-CB 3.39Å; G20-V23 WeakPolarHBondContact O-CG2 3.18Å; G20-V23 PolarHBondContact O-N 3.49Å; G20-A66 VanDerWaalsContact C-CB 3.43Å; G20-A66 WeakPolarHBondContact O-CB 3.36Å
21	G	96.9	Very high	86.8	Confident	38 Å²	38	83 Å²	83	39%	0.392	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-130.3	177.5	0	0	0	0	0	113.4
22	N	98.1	Very high	89.1	Confident	84 Å²	84	75.7 Å²	75.7	45%	0.449	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	19	176.4	-63.6	-28.2	0	0	0	112.3	G20 S69	G20-N22 PolarHBondContact O-N 3.3Å; N22-S69 WeakPolarHBondContact CB-O 3.31Å; N22-S69 PolarHBondContact N-OG 3.13Å; N22-S69 PolarHBondContact ND2-O 2.98Å
23	V	98.8	Very high	91.3	Very high	13 Å²	13	71.1 Å²	71.1	8%	0.079	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-73.7	132.9	-178.6	179.9	0	0	0	0	110.7	F18 G20 Y65 F77 T79	F18-V23 WeakPolarHBondContact O-CG1 3.49Å; G20-V23 WeakPolarHBondContact O-CB 3.39Å; G20-V23 WeakPolarHBondContact O-CG2 3.18Å; G20-V23 PolarHBondContact O-N 3.49Å; V23-Y65 HydrophobicContact CG1-CD1 4.32Å; V23-Y65 HydrophobicContact CG1-CE1 3.89Å; V23-Y65 HydrophobicContact CG2-CD1 3.69Å; V23-Y65 HydrophobicContact CG2-CE1 3.77Å; V23-F77 HydrophobicContact CG2-CB 4.08Å; V23-T79 WeakPolarHBondContact CG1-OG1 3.32Å
24	H	98.5	Very high	93.6	Very high	73 Å²	73	70.1 Å²	70.1	34%	0.338	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.6	170.9	-55.8	-73.7	0	0	0	110.5	F77 L78 T79	H24-F77 PolarHBondContact N-O 3.11Å; H24-L78 HydrophobicContact CB-CD2 3.75Å; H24-L78 CarbonylContact O-C 3.51Å; H24-L78 VanDerWaalsContact O-CA 3.26Å; H24-L78 WeakPolarHBondContact O-CA 3.34Å; H24-T79 PolarHBondContact O-N 3.2Å
25	V	98.3	Very high	95.3	Very high	46 Å²	46	66.6 Å²	66.6	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.5	171.5	173.8	0	0	0	0	109.8	F18 K19 T79	F18-V25 HydrophobicContact CB-CG2 3.72Å; F18-V25 VanDerWaalsContact O-CG2 3.24Å; F18-V25 WeakPolarHBondContact O-CG2 3.46Å; K19-V25 HydrophobicContact CD-CG2 4.38Å; K19-V25 HydrophobicContact CG-CB 4.25Å; K19-V25 HydrophobicContact CG-CG2 3.41Å; K19-V25 VanDerWaalsContact CG-CG2 3.41Å; V25-T79 WeakPolarHBondContact CA-O 3.33Å
26	I	98.4	Very high	96.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.1	174	-55.6	-55.5	0	0	0	108.7	N28 N31 W32 K35 L78 T79 I80 L85	I26-N28 WeakPolarHBondContact CG2-O 3.36Å; I26-N31 WeakPolarHBondContact CA-OD1 3.46Å; I26-N31 WeakPolarHBondContact CD1-OD1 3.36Å; I26-W32 HydrophobicContact CG1-CE3 4.24Å; I26-W32 HydrophobicContact CG2-CB 3.88Å; I26-K35 HydrophobicContact CD1-CB 4.36Å; I26-K35 HydrophobicContact CD1-CG 4.15Å; I26-L78 HydrophobicContact CD1-CB 4.36Å; I26-L78 HydrophobicContact CD1-CD1 4.09Å; I26-L78 HydrophobicContact CD1-CD2 3.96Å; I26-L78 HydrophobicContact CD1-CG 4.36Å; I26-L78 HydrophobicContact CG1-CB 4.15Å; I26-L78 HydrophobicContact CG1-CD1 4.45Å; I26-T79 PolarHBondContact N-O 2.88Å; I26-I80 HydrophobicContact CB-CG1 3.89Å; I26-I80 HydrophobicContact CG1-CD1 4.34Å; I26-I80 HydrophobicContact CG1-CG1 3.82Å; I26-I80 HydrophobicContact CG2-CG1 4.46Å; I26-L85 HydrophobicContact CB-CD1 4.36Å; I26-L85 HydrophobicContact CG2-CD1 3.95Å; I26-L85 WeakPolarHBondContact O-CD1 3.49Å
27	S	94.8	Very high	97.1	Very high	84 Å²	84	60.5 Å²	60.5	59%	0.587	33%	0.326	S	S	*	.			trans	-102.3	-18.7	-177.9	60.1	0	0	0	0	114.1
28	N	97.8	Very high	97.5	Very high	69 Å²	69	59 Å²	59	37%	0.369	32%	0.316	S	S	.	.	S	Bend	trans	-164.3	172.2	179.2	60.5	42.9	0	0	0	110.7	I26 E30 N31 W32	I26-N28 WeakPolarHBondContact CG2-O 3.36Å; N28-E30 VanDerWaalsContact C-N 3.33Å; N28-E30 PolarHBondContact O-N 2.81Å; N28-E30 PolarHBondContact OD1-N 3.3Å; N28-N31 PolarHBondContact O-N 2.96Å; N28-N31 WeakPolarHBondContact OD1-CB 3.38Å; N28-N31 PolarHBondContact OD1-N 2.75Å; N28-W32 PolarHBondContact O-N 2.91Å; N28-W32 VanDerWaalsContact O-N 3.16Å
29	K	96.9	Very high	97.7	Very high	98 Å²	98	57.9 Å²	57.9	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-35.9	-179.7	-177.7	57.7	169.2	70	0	113.5	W32 D33 F88	K29-W32 WeakPolarHBondContact O-CB 3.37Å; K29-W32 PolarHBondContact O-N 3.45Å; K29-D33 IonicContact NZ-OD1 2.83Å; K29-D33 PolarHBondContact NZ-OD1 3.42Å; K29-D33 IonicContact NZ-OD2 3.26Å; K29-D33 PolarHBondContact NZ-OD2 3.48Å; K29-D33 PolarHBondContact O-N 3.26Å; K29-F88 HydrophobicContact CD-CD2 3.6Å; K29-F88 HydrophobicContact CD-CE2 3.74Å
30	E	98.1	Very high	97.9	Very high	122 Å²	122	53.7 Å²	53.7	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-65.2	-41.9	177.9	-177	-176.4	174.6	0	0	111.4	N28 W32 D33 H34	N28-E30 VanDerWaalsContact C-N 3.33Å; N28-E30 PolarHBondContact O-N 2.81Å; N28-E30 PolarHBondContact OD1-N 3.3Å; E30-W32 VanDerWaalsContact C-N 3.34Å; E30-W32 PolarHBondContact O-N 3.48Å; E30-D33 PolarHBondContact O-N 2.97Å; E30-H34 PolarHBondContact O-N 2.92Å; E30-H34 IonicContact OE1-CE1 2.75Å; E30-H34 PolarHBondContact OE1-CE1 3.11Å
31	N	98	Very high	98	Very high	45 Å²	45	61.6 Å²	61.6	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-40.9	175.1	-176.7	-96.5	0	0	0	111.9	I26 N28 K35	I26-N31 WeakPolarHBondContact CA-OD1 3.46Å; I26-N31 WeakPolarHBondContact CD1-OD1 3.36Å; N28-N31 PolarHBondContact O-N 2.96Å; N28-N31 WeakPolarHBondContact OD1-CB 3.38Å; N28-N31 PolarHBondContact OD1-N 2.75Å; N31-K35 WeakPolarHBondContact O-CB 3.33Å; N31-K35 WeakPolarHBondContact O-CG 3.5Å; N31-K35 PolarHBondContact O-N 2.99Å
32	W	98.3	Very high	98	Very high	13 Å²	13	63.8 Å²	63.8	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-52.7	170.4	171	-87.4	0	0	0	111.1	I26 N28 K29 E30 H34 K35 I36 A48 L78 I80 F88 W92 L103	I26-W32 HydrophobicContact CG1-CE3 4.24Å; I26-W32 HydrophobicContact CG2-CB 3.88Å; N28-W32 PolarHBondContact O-N 2.91Å; N28-W32 VanDerWaalsContact O-N 3.16Å; K29-W32 WeakPolarHBondContact O-CB 3.37Å; K29-W32 PolarHBondContact O-N 3.45Å; E30-W32 VanDerWaalsContact C-N 3.34Å; E30-W32 PolarHBondContact O-N 3.48Å; W32-H34 VanDerWaalsContact C-N 3.33Å; W32-H34 PolarHBondContact O-N 3.4Å; W32-K35 PolarHBondContact O-N 3.37Å; W32-K35 VanDerWaalsContact O-N 3.11Å; W32-I36 HydrophobicContact CD2-CD1 4.45Å; W32-I36 HydrophobicContact CD2-CG1 4.06Å; W32-I36 HydrophobicContact CG-CG1 4.33Å; W32-I36 HydrophobicContact CH2-CD1 4.11Å; W32-I36 HydrophobicContact CZ2-CD1 3.7Å; W32-I36 HydrophobicContact CZ2-CG1 3.84Å; W32-I36 WeakPolarHBondContact O-CG1 3.31Å; W32-I36 PolarHBondContact O-N 2.96Å; W32-A48 HydrophobicContact CH2-CB 3.94Å; W32-A48 HydrophobicContact CZ3-CB 3.91Å; W32-L78 HydrophobicContact CE3-CD1 4.21Å; W32-L78 HydrophobicContact CZ3-CD1 4.05Å; W32-I80 HydrophobicContact CE3-CD1 4.39Å; W32-I80 HydrophobicContact CE3-CG1 4.38Å; W32-I80 HydrophobicContact CZ3-CD1 3.87Å; W32-I80 HydrophobicContact CZ3-CG1 4.31Å; W32-F88 HydrophobicContact CB-CZ 4.39Å; W32-F88 HydrophobicContact CD2-CE1 4.19Å; W32-F88 HydrophobicContact CD2-CE2 4.1Å; W32-F88 AromaticContact CD2-CZ 3.38Å; W32-F88 HydrophobicContact CD2-CZ 3.38Å; W32-F88 AromaticContact CE2-CZ 3.67Å; W32-F88 HydrophobicContact CE3-CE1 4.02Å; W32-F88 AromaticContact CE3-CZ 3.64Å; W32-F88 HydrophobicContact CE3-CZ 3.64Å; W32-F88 HydrophobicContact CG-CE2 4Å; W32-F88 AromaticContact CG-CZ 3.71Å; W32-F88 HydrophobicContact CG-CZ 3.71Å; W32-F88 HydrophobicContact CH2-CZ 4.37Å; W32-F88 HydrophobicContact CZ2-CZ 4.18Å; W32-F88 HydrophobicContact CZ3-CE1 4.44Å; W32-F88 HydrophobicContact CZ3-CZ 4.12Å; W32-W92 HydrophobicContact CH2-CH2 4.25Å; W32-W92 AromaticContact CH2-CZ2 3.9Å; W32-W92 HydrophobicContact CH2-CZ2 3.9Å; W32-W92 AromaticContact CZ2-CH2 3.92Å; W32-W92 HydrophobicContact CZ2-CH2 3.92Å; W32-W92 AromaticContact CZ2-CZ2 3.34Å; W32-W92 HydrophobicContact CZ2-CZ2 3.34Å; W32-L103 HydrophobicContact CH2-CD1 3.7Å; W32-L103 HydrophobicContact CZ2-CD1 3.7Å
33	D	98.1	Very high	97.9	Very high	73 Å²	73	62.5 Å²	62.5	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-42.1	-177.5	-70.4	-27.6	0	0	0	112.2	K29 E30 I36 A37	K29-D33 IonicContact NZ-OD1 2.83Å; K29-D33 PolarHBondContact NZ-OD1 3.42Å; K29-D33 IonicContact NZ-OD2 3.26Å; K29-D33 PolarHBondContact NZ-OD2 3.48Å; K29-D33 PolarHBondContact O-N 3.26Å; E30-D33 PolarHBondContact O-N 2.97Å; D33-I36 PolarHBondContact O-N 2.99Å; D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 3.3Å
34	H	98.4	Very high	97.9	Very high	112 Å²	112	64.8 Å²	64.8	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-44.2	173.8	-72	159.1	0	0	0	112.4	E30 W32 A37 E38	E30-H34 PolarHBondContact O-N 2.92Å; E30-H34 IonicContact OE1-CE1 2.75Å; E30-H34 PolarHBondContact OE1-CE1 3.11Å; W32-H34 VanDerWaalsContact C-N 3.33Å; W32-H34 PolarHBondContact O-N 3.4Å; H34-A37 PolarHBondContact O-N 2.89Å; H34-E38 WeakPolarHBondContact O-CB 3.48Å; H34-E38 PolarHBondContact O-N 3.28Å
35	K	98.4	Very high	97.9	Very high	32 Å²	32	61.8 Å²	61.8	14%	0.139	33%	0.331	C	S	.	.	H	α-helix	trans	-68.7	-38.9	-180	-76	-73.6	163.1	-162.8	0	112.6	I26 N31 W32 E38 A39 M76 L78	I26-K35 HydrophobicContact CD1-CB 4.36Å; I26-K35 HydrophobicContact CD1-CG 4.15Å; N31-K35 WeakPolarHBondContact O-CB 3.33Å; N31-K35 WeakPolarHBondContact O-CG 3.5Å; N31-K35 PolarHBondContact O-N 2.99Å; W32-K35 PolarHBondContact O-N 3.37Å; W32-K35 VanDerWaalsContact O-N 3.11Å; K35-E38 WeakPolarHBondContact CE-OE2 3.32Å; K35-E38 IonicContact NZ-OE1 3.06Å; K35-E38 IonicContact NZ-OE2 3.58Å; K35-E38 PolarHBondContact NZ-OE2 2.92Å; K35-E38 PolarHBondContact O-N 2.93Å; K35-A39 WeakPolarHBondContact O-CB 3.42Å; K35-A39 PolarHBondContact O-N 3.35Å; K35-M76 HydrophobicContact CB-SD 3.93Å; K35-M76 HydrophobicContact CD-CE 4.14Å; K35-M76 HydrophobicContact CD-SD 3.66Å; K35-M76 HydrophobicContact CG-SD 4.4Å; K35-L78 HydrophobicContact CB-CD1 4.23Å; K35-L78 HydrophobicContact CB-CD2 4.15Å; K35-L78 HydrophobicContact CD-CD2 4.26Å; K35-L78 HydrophobicContact CG-CD2 4.22Å
36	I	98.5	Very high	97.9	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.108	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-43.3	173	-63.7	-52	0	0	0	111	W32 D33 A39 N40 V46 L78 L103	W32-I36 HydrophobicContact CD2-CD1 4.45Å; W32-I36 HydrophobicContact CD2-CG1 4.06Å; W32-I36 HydrophobicContact CG-CG1 4.33Å; W32-I36 HydrophobicContact CH2-CD1 4.11Å; W32-I36 HydrophobicContact CZ2-CD1 3.7Å; W32-I36 HydrophobicContact CZ2-CG1 3.84Å; W32-I36 WeakPolarHBondContact O-CG1 3.31Å; W32-I36 PolarHBondContact O-N 2.96Å; D33-I36 PolarHBondContact O-N 2.99Å; I36-A39 PolarHBondContact O-N 3.02Å; I36-N40 WeakPolarHBondContact O-CB 3.45Å; I36-N40 PolarHBondContact O-N 3.49Å; I36-N40 PolarHBondContact O-ND2 3.04Å; I36-N40 PolarHBondContact O-OD1 3.48Å; I36-V46 HydrophobicContact CD1-CB 4.37Å; I36-V46 HydrophobicContact CD1-CG1 4.12Å; I36-V46 HydrophobicContact CD1-CG2 3.94Å; I36-L78 HydrophobicContact CD1-CD1 4.37Å; I36-L103 HydrophobicContact CD1-CD1 3.92Å
37	A	98.4	Very high	97.9	Very high	57 Å²	57	59.5 Å²	59.5	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-42.2	176.9	0	0	0	0	0	112.4	D33 H34 N40 K41	D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 3.3Å; H34-A37 PolarHBondContact O-N 2.89Å; A37-N40 PolarHBondContact O-N 2.92Å; A37-K41 WeakPolarHBondContact O-CB 3.49Å; A37-K41 PolarHBondContact O-N 3.34Å
38	E	98.5	Very high	98.1	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-51.1	173.7	-176.8	-172.4	161.3	0	0	111.1	H34 K35 N40 K41 D42 M76	H34-E38 WeakPolarHBondContact O-CB 3.48Å; H34-E38 PolarHBondContact O-N 3.28Å; K35-E38 WeakPolarHBondContact CE-OE2 3.32Å; K35-E38 IonicContact NZ-OE1 3.06Å; K35-E38 IonicContact NZ-OE2 3.58Å; K35-E38 PolarHBondContact NZ-OE2 2.92Å; K35-E38 PolarHBondContact O-N 2.93Å; E38-N40 PolarHBondContact O-N 3.41Å; E38-K41 PolarHBondContact O-N 3.12Å; E38-D42 WeakPolarHBondContact O-CB 3.43Å; E38-D42 PolarHBondContact O-N 3.42Å; E38-M76 HydrophobicContact CB-CE 4.2Å; E38-M76 HydrophobicContact CG-CE 3.91Å
39	A	98.3	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-44.4	178.7	0	0	0	0	0	112.3	K35 I36 K41 D42 G43 K44 V46 M76	K35-A39 WeakPolarHBondContact O-CB 3.42Å; K35-A39 PolarHBondContact O-N 3.35Å; I36-A39 PolarHBondContact O-N 3.02Å; A39-K41 PolarHBondContact O-N 2.79Å; A39-D42 CarbonylContact O-C 3.6Å; A39-D42 PolarHBondContact O-N 3.34Å; A39-G43 CarbonylContact O-C 3.56Å; A39-G43 PolarHBondContact O-N 3.49Å; A39-K44 HydrophobicContact CB-CB 4.18Å; A39-K44 PolarHBondContact O-N 2.85Å; A39-V46 HydrophobicContact CB-CG2 3.32Å; A39-M76 HydrophobicContact CB-CB 4.46Å; A39-M76 HydrophobicContact CB-CE 4.09Å; A39-M76 HydrophobicContact CB-SD 4.05Å
40	N	97.9	Very high	98.2	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-42.1	178.1	-69.9	-10.2	0	0	0	111.9	I36 A37 E38 D42 G43 N105 G106	I36-N40 WeakPolarHBondContact O-CB 3.45Å; I36-N40 PolarHBondContact O-N 3.49Å; I36-N40 PolarHBondContact O-ND2 3.04Å; I36-N40 PolarHBondContact O-OD1 3.48Å; A37-N40 PolarHBondContact O-N 2.92Å; E38-N40 PolarHBondContact O-N 3.41Å; N40-D42 VanDerWaalsContact C-N 3.3Å; N40-D42 PolarHBondContact O-N 3.43Å; N40-G43 PolarHBondContact O-N 2.94Å; N40-N105 VanDerWaalsContact OD1-C 3.32Å; N40-N105 WeakPolarHBondContact OD1-CA 3.43Å; N40-G106 PolarHBondContact OD1-N 3.05Å; N40-G106 VanDerWaalsContact OD1-N 3.13Å
41	K	98.1	Very high	98.3	Very high	178 Å²	178	41.8 Å²	41.8	77%	0.774	22%	0.224	S	C	*	.	H	α-helix	trans	-62.2	-40.3	176.7	179.7	-173.4	170.6	-168.7	0	111.7	A37 E38 A39 G43	A37-K41 WeakPolarHBondContact O-CB 3.49Å; A37-K41 PolarHBondContact O-N 3.34Å; E38-K41 PolarHBondContact O-N 3.12Å; A39-K41 PolarHBondContact O-N 2.79Å; K41-G43 VanDerWaalsContact C-N 3.3Å
42	D	97.5	Very high	98.2	Very high	85 Å²	85	39.6 Å²	39.6	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.6	-178	-68.4	-4.2	0	0	0	112.9	E38 A39 N40 K44	E38-D42 WeakPolarHBondContact O-CB 3.43Å; E38-D42 PolarHBondContact O-N 3.42Å; A39-D42 CarbonylContact O-C 3.6Å; A39-D42 PolarHBondContact O-N 3.34Å; N40-D42 VanDerWaalsContact C-N 3.3Å; N40-D42 PolarHBondContact O-N 3.43Å; D42-K44 HydrophobicContact CB-CD 4.25Å; D42-K44 HydrophobicContact CB-CG 3.88Å; D42-K44 PolarHBondContact O-N 3.47Å
43	G	96.2	Very high	98	Very high	57 Å²	57	41.4 Å²	41.4	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	20	-176.9	0	0	0	0	0	114.2	A39 N40 K41	A39-G43 CarbonylContact O-C 3.56Å; A39-G43 PolarHBondContact O-N 3.49Å; N40-G43 PolarHBondContact O-N 2.94Å; K41-G43 VanDerWaalsContact C-N 3.3Å
44	K	98.1	Very high	97.8	Very high	60 Å²	60	46.3 Å²	46.3	26%	0.261	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-82.2	139.3	-178	-61.6	-171.4	177.5	-179	0	111.4	A39 D42 Q74	A39-K44 HydrophobicContact CB-CB 4.18Å; A39-K44 PolarHBondContact O-N 2.85Å; D42-K44 HydrophobicContact CB-CD 4.25Å; D42-K44 HydrophobicContact CB-CG 3.88Å; D42-K44 PolarHBondContact O-N 3.47Å; K44-Q74 WeakPolarHBondContact CG-O 3.36Å
45	I	98.5	Very high	97.7	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.056	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-75.1	134.8	163.3	-64	176.8	0	0	0	108.1	F75 M76 L103 K104 L127	I45-F75 HydrophobicContact CB-CD1 3.67Å; I45-F75 HydrophobicContact CB-CE1 3.88Å; I45-F75 HydrophobicContact CB-CG 4.44Å; I45-F75 HydrophobicContact CD1-CE1 3.92Å; I45-F75 HydrophobicContact CD1-CZ 4.48Å; I45-F75 HydrophobicContact CG1-CD1 4.41Å; I45-F75 HydrophobicContact CG1-CE1 4.19Å; I45-F75 HydrophobicContact CG2-CD1 4.49Å; I45-F75 CarbonylContact O-C 3.57Å; I45-F75 WeakPolarHBondContact O-CA 3.36Å; I45-F75 WeakPolarHBondContact O-CB 3.5Å; I45-M76 PolarHBondContact O-N 2.88Å; I45-L103 CarbonylContact C-O 3.59Å; I45-L103 WeakPolarHBondContact CA-O 3.46Å; I45-L103 WeakPolarHBondContact CG2-O 3.18Å; I45-K104 HydrophobicContact CD1-CD 4.47Å; I45-K104 HydrophobicContact CG1-CB 4.29Å; I45-K104 HydrophobicContact CG1-CD 4.4Å; I45-K104 HydrophobicContact CG1-CG 4.25Å; I45-L127 HydrophobicContact CD1-CB 4.18Å; I45-L127 HydrophobicContact CD1-CD2 4.14Å; I45-L127 HydrophobicContact CG2-CD1 4.41Å
46	V	98.8	Very high	97.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.8	173.6	178.6	0	0	0	0	108.7	I36 A39 A48 M76 L78 F102 L103	I36-V46 HydrophobicContact CD1-CB 4.37Å; I36-V46 HydrophobicContact CD1-CG1 4.12Å; I36-V46 HydrophobicContact CD1-CG2 3.94Å; A39-V46 HydrophobicContact CB-CG2 3.32Å; V46-A48 HydrophobicContact CG1-CB 4.44Å; V46-M76 CarbonylContact C-O 3.53Å; V46-M76 WeakPolarHBondContact CA-O 3.4Å; V46-M76 HydrophobicContact CG2-CB 4.27Å; V46-L78 HydrophobicContact CG1-CD1 3.42Å; V46-L78 VanDerWaalsContact CG1-CD1 3.42Å; V46-L78 HydrophobicContact CG1-CG 3.79Å; V46-F102 CarbonylContact O-C 3.56Å; V46-F102 WeakPolarHBondContact O-CA 3.22Å; V46-L103 HydrophobicContact CB-CB 4.15Å; V46-L103 HydrophobicContact CG1-CD1 4.47Å; V46-L103 PolarHBondContact N-O 3.09Å; V46-L103 PolarHBondContact O-N 3.22Å
47	I	98.8	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.2	167.9	-55.6	161.3	0	0	0	105.3	Y65 F75 M76 F77 L78 F101 F102 V124	I47-Y65 HydrophobicContact CG2-CE2 3.86Å; I47-Y65 PolarHBondContact O-OH 3.28Å; I47-F75 HydrophobicContact CD1-CB 4.11Å; I47-F75 HydrophobicContact CD1-CD2 3.74Å; I47-F75 HydrophobicContact CD1-CG 4.22Å; I47-M76 PolarHBondContact N-O 2.84Å; I47-F77 HydrophobicContact CB-CD1 4.41Å; I47-F77 HydrophobicContact CB-CE1 4.49Å; I47-F77 HydrophobicContact CD1-CD1 4.28Å; I47-F77 HydrophobicContact CD1-CE1 3.62Å; I47-F77 HydrophobicContact CD1-CE2 3.97Å; I47-F77 HydrophobicContact CD1-CZ 3.44Å; I47-F77 VanDerWaalsContact CD1-CZ 3.44Å; I47-L78 PolarHBondContact O-N 3.37Å; I47-F101 CarbonylContact C-O 3.52Å; I47-F101 WeakPolarHBondContact CA-O 3.3Å; I47-F102 HydrophobicContact CD1-CE1 4.46Å; I47-F102 HydrophobicContact CG1-CD1 3.86Å; I47-F102 HydrophobicContact CG1-CE1 4.12Å; I47-F102 HydrophobicContact CG2-CD1 4.3Å; I47-F102 HydrophobicContact CG2-CE1 4.1Å; I47-V124 HydrophobicContact CD1-CG1 4.21Å; I47-V124 HydrophobicContact CD1-CG2 3.76Å
48	A	98.8	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.1	-177.1	0	0	0	0	0	110.8	W32 V46 F50 L78 I80 F100 F101	W32-A48 HydrophobicContact CH2-CB 3.94Å; W32-A48 HydrophobicContact CZ3-CB 3.91Å; V46-A48 HydrophobicContact CG1-CB 4.44Å; A48-F50 HydrophobicContact CB-CE2 4.26Å; A48-L78 CarbonylContact C-O 3.6Å; A48-I80 HydrophobicContact CB-CD1 3.95Å; A48-F100 CarbonylContact O-C 3.54Å; A48-F100 WeakPolarHBondContact O-CA 3.35Å; A48-F101 PolarHBondContact N-O 3.22Å; A48-F101 PolarHBondContact O-N 2.89Å
49	N	98.8	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	102.3	176.7	173.7	20.9	0	0	0	110.5	S51 Y65 L78 T79 I80 P98 F100	N49-S51 PolarHBondContact O-N 2.95Å; N49-S51 PolarHBondContact OD1-OG 2.88Å; N49-Y65 HydrophobicContact CB-CD1 4.47Å; N49-Y65 HydrophobicContact CB-CE1 3.94Å; N49-Y65 HydrophobicContact CB-CE2 4Å; N49-L78 PolarHBondContact N-O 2.97Å; N49-T79 WeakPolarHBondContact O-CA 3.48Å; N49-I80 PolarHBondContact O-N 2.85Å; N49-P98 WeakPolarHBondContact OD1-CB 3.36Å; N49-F100 HydrophobicContact CB-CD1 3.82Å; N49-F100 HydrophobicContact CB-CE1 3.69Å
50	F	98.7	Very high	97.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.1	167.2	-70.4	-99.3	0	0	0	108.8	A48 I80 V82 F88 W92 I94 P98 T99 F101	A48-F50 HydrophobicContact CB-CE2 4.26Å; F50-I80 WeakPolarHBondContact CA-O 3.4Å; F50-I80 HydrophobicContact CD1-CB 3.97Å; F50-I80 HydrophobicContact CD1-CG2 3.9Å; F50-I80 HydrophobicContact CD2-CD1 4.32Å; F50-I80 HydrophobicContact CE1-CB 4.2Å; F50-I80 HydrophobicContact CE1-CG1 4.42Å; F50-I80 HydrophobicContact CE1-CG2 3.93Å; F50-I80 HydrophobicContact CE2-CD1 4.21Å; F50-I80 HydrophobicContact CG-CB 4.39Å; F50-I80 HydrophobicContact CZ-CD1 4.36Å; F50-V82 HydrophobicContact CB-CG1 3.99Å; F50-V82 HydrophobicContact CD1-CG1 4.24Å; F50-F88 HydrophobicContact CE1-CD1 4.12Å; F50-F88 AromaticContact CE1-CE1 3.7Å; F50-F88 HydrophobicContact CE1-CE1 3.7Å; F50-F88 AromaticContact CZ-CE1 3.83Å; F50-F88 HydrophobicContact CZ-CE1 3.83Å; F50-F88 HydrophobicContact CZ-CZ 4.32Å; F50-W92 HydrophobicContact CE1-CB 4.24Å; F50-W92 HydrophobicContact CE1-CG 4.15Å; F50-W92 HydrophobicContact CE2-CD2 4.27Å; F50-W92 HydrophobicContact CE2-CE3 4.38Å; F50-W92 HydrophobicContact CE2-CG 4.4Å; F50-W92 HydrophobicContact CZ-CB 4.04Å; F50-W92 AromaticContact CZ-CD1 3.85Å; F50-W92 AromaticContact CZ-CD2 3.81Å; F50-W92 HydrophobicContact CZ-CD2 3.81Å; F50-W92 HydrophobicContact CZ-CE3 4.37Å; F50-W92 AromaticContact CZ-CG 3.62Å; F50-W92 HydrophobicContact CZ-CG 3.62Å; F50-I94 HydrophobicContact CB-CD1 3.76Å; F50-I94 HydrophobicContact CB-CG1 4.14Å; F50-I94 HydrophobicContact CB-CG2 4.33Å; F50-I94 HydrophobicContact CD1-CD1 3.7Å; F50-I94 HydrophobicContact CD1-CG1 3.64Å; F50-I94 HydrophobicContact CD2-CD1 3.77Å; F50-I94 HydrophobicContact CE1-CD1 4.18Å; F50-I94 HydrophobicContact CE1-CG1 4.14Å; F50-I94 HydrophobicContact CE2-CD1 4.26Å; F50-I94 HydrophobicContact CG-CD1 3.46Å; F50-I94 VanDerWaalsContact CG-CD1 3.46Å; F50-I94 HydrophobicContact CG-CG1 3.89Å; F50-I94 HydrophobicContact CZ-CD1 4.44Å; F50-P98 CarbonylContact O-C 3.55Å; F50-P98 VanDerWaalsContact O-CA 3.24Å; F50-P98 WeakPolarHBondContact O-CA 3.25Å; F50-T99 PolarHBondContact N-O 2.88Å; F50-T99 PolarHBondContact O-N 2.85Å; F50-F101 AromaticContact CD2-CD2 3.71Å; F50-F101 HydrophobicContact CD2-CD2 3.71Å; F50-F101 AromaticContact CD2-CE2 3.97Å; F50-F101 HydrophobicContact CD2-CE2 3.97Å; F50-F101 AromaticContact CE2-CD2 3.59Å; F50-F101 HydrophobicContact CE2-CD2 3.59Å; F50-F101 AromaticContact CE2-CE2 3.95Å; F50-F101 HydrophobicContact CE2-CE2 3.95Å
51	S	98.3	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	173.7	-168	-128.6	0	0	0	0	111.4	F18 N49 C58 I80 D81 V82	F18-S51 WeakPolarHBondContact CE1-OG 3.33Å; N49-S51 PolarHBondContact O-N 2.95Å; N49-S51 PolarHBondContact OD1-OG 2.88Å; S51-C58 VanDerWaalsContact OG-CB 3.3Å; S51-C58 WeakPolarHBondContact OG-CB 3.14Å; S51-C58 PolarHBondContact OG-SG 2.9Å; S51-I80 PolarHBondContact N-O 2.86Å; S51-D81 WeakPolarHBondContact O-CA 3.24Å; S51-V82 WeakPolarHBondContact O-CG1 3.26Å; S51-V82 WeakPolarHBondContact O-CG2 3.33Å; S51-V82 PolarHBondContact O-N 3.49Å
52	A	97.1	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.			trans	-146.4	140.6	172.4	0	0	0	0	0	109.9	W54 C55 V82 T97	A52-W54 HydrophobicContact CB-CD2 4.04Å; A52-W54 HydrophobicContact CB-CG 4.43Å; A52-W54 HydrophobicContact CB-CH2 4.35Å; A52-W54 HydrophobicContact CB-CZ2 3.71Å; A52-W54 PolarHBondContact O-N 3.44Å; A52-C55 HydrophobicContact CB-CB 3.97Å; A52-C55 WeakPolarHBondContact O-CB 3.37Å; A52-C55 PolarHBondContact O-N 3.41Å; A52-C55 VanDerWaalsContact O-N 3.09Å; A52-V82 HydrophobicContact CB-CG2 3.94Å; A52-T97 HydrophobicContact CB-CG2 4.44Å
53	A	94.5	Very high	97.3	Very high	50 Å²	50	37.6 Å²	37.6	41%	0.413	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.9	-177.9	0	0	0	0	0	113.9	I16 D81	I16-A53 VanDerWaalsContact CD1-O 3.23Å; I16-A53 WeakPolarHBondContact CD1-O 3.24Å; A53-D81 PolarHBondContact N-OD2 3.13Å
54	W	94.1	Very high	97.4	Very high	177 Å²	177	35.8 Å²	35.8	67%	0.67	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.8	179.1	52	-99.4	0	0	0	113.9	A52 G56 D83	A52-W54 HydrophobicContact CB-CD2 4.04Å; A52-W54 HydrophobicContact CB-CG 4.43Å; A52-W54 HydrophobicContact CB-CH2 4.35Å; A52-W54 HydrophobicContact CB-CZ2 3.71Å; A52-W54 PolarHBondContact O-N 3.44Å; W54-G56 PolarHBondContact O-N 3.47Å; W54-D83 PolarHBondContact NE1-OD2 3.18Å
55	C	95	Very high	97.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.034	19%	0.186	C	C	.	.			trans	-83.4	108.6	-173.5	157.8	0	0	0	0	111.2	A52 C58 R59 T97	A52-C55 HydrophobicContact CB-CB 3.97Å; A52-C55 WeakPolarHBondContact O-CB 3.37Å; A52-C55 PolarHBondContact O-N 3.41Å; A52-C55 VanDerWaalsContact O-N 3.09Å; C55-C58 HydrophobicContact CB-CB 3.63Å; C55-C58 WeakPolarHBondContact CB-SG 3.19Å; C55-C58 WeakPolarHBondContact O-CA 3.41Å; C55-C58 WeakPolarHBondContact O-CB 3.37Å; C55-C58 PolarHBondContact O-N 2.81Å; C55-C58 WeakPolarHBondContact SG-CB 3.43Å; C55-C58 PolarHBondContact SG-N 3.37Å; C55-C58 CovalentContact SG-SG 2.06Å; C55-C58 PolarHBondContact SG-SG 3.21Å; C55-R59 PolarHBondContact O-N 2.96Å; C55-R59 VanDerWaalsContact O-N 3.08Å; C55-T97 PolarHBondContact SG-O 3.35Å; C55-T97 VanDerWaalsContact SG-O 3.37Å; C55-T97 PolarHBondContact SG-OG1 3.16Å; C55-T97 VanDerWaalsContact SG-OG1 3.4Å
56	G	96.2	Very high	97.4	Very high	44 Å²	44	33.2 Å²	33.2	45%	0.454	19%	0.189	S	C	.	.	H	α-helix	trans	-52.4	-49.1	176.5	0	0	0	0	0	114	W54 C58 R59 V60	W54-G56 PolarHBondContact O-N 3.47Å; G56-C58 VanDerWaalsContact C-N 3.25Å; G56-C58 PolarHBondContact O-N 3.33Å; G56-R59 WeakPolarHBondContact O-CB 3.45Å; G56-R59 PolarHBondContact O-N 3.31Å; G56-R59 VanDerWaalsContact O-N 3.16Å; G56-V60 PolarHBondContact O-N 3.49Å
57	P	97.9	Very high	97.4	Very high	66 Å²	66	38.5 Å²	38.5	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-34.1	173.9	-27.4	36.4	0	0	0	114	V60 I61 A115	P57-V60 PolarHBondContact O-N 2.99Å; P57-I61 PolarHBondContact O-N 3.02Å; P57-I61 VanDerWaalsContact O-N 3.16Å; P57-A115 HydrophobicContact CB-CB 3.73Å; P57-A115 WeakPolarHBondContact O-CB 3.24Å
58	C	98.1	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-39.5	177.5	-56.1	0	0	0	0	111.1	I16 S51 C55 G56 V60 I61 A62 T97 P98	I16-C58 HydrophobicContact CD1-CB 4.21Å; S51-C58 VanDerWaalsContact OG-CB 3.3Å; S51-C58 WeakPolarHBondContact OG-CB 3.14Å; S51-C58 PolarHBondContact OG-SG 2.9Å; C55-C58 HydrophobicContact CB-CB 3.63Å; C55-C58 WeakPolarHBondContact CB-SG 3.19Å; C55-C58 WeakPolarHBondContact O-CA 3.41Å; C55-C58 WeakPolarHBondContact O-CB 3.37Å; C55-C58 PolarHBondContact O-N 2.81Å; C55-C58 WeakPolarHBondContact SG-CB 3.43Å; C55-C58 PolarHBondContact SG-N 3.37Å; C55-C58 CovalentContact SG-SG 2.06Å; C55-C58 PolarHBondContact SG-SG 3.21Å; G56-C58 VanDerWaalsContact C-N 3.25Å; G56-C58 PolarHBondContact O-N 3.33Å; C58-V60 VanDerWaalsContact C-N 3.3Å; C58-V60 PolarHBondContact O-N 3.27Å; C58-I61 PolarHBondContact O-N 3.5Å; C58-A62 WeakPolarHBondContact O-CB 2.79Å; C58-A62 PolarHBondContact O-N 3.4Å; C58-T97 VanDerWaalsContact SG-CB 3.59Å; C58-P98 VanDerWaalsContact SG-N 3.4Å
59	R	96.4	Very high	97.4	Very high	115 Å²	115	39 Å²	39	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-38.9	174.2	-171.2	-178	-64.8	-170.3	-7.9	112	D14 I16 C55 G56 P63	D14-R59 PolarHBondContact O-NH2 3.21Å; D14-R59 IonicContact OD1-CZ 3.86Å; D14-R59 IonicContact OD1-NH1 3.03Å; D14-R59 PolarHBondContact OD1-NH1 2.99Å; D14-R59 IonicContact OD1-NH2 3.04Å; D14-R59 PolarHBondContact OD1-NH2 3.22Å; I16-R59 HydrophobicContact CD1-CB 3.81Å; I16-R59 HydrophobicContact CG1-CB 3.96Å; I16-R59 HydrophobicContact CG1-CG 4.13Å; C55-R59 PolarHBondContact O-N 2.96Å; C55-R59 VanDerWaalsContact O-N 3.08Å; G56-R59 WeakPolarHBondContact O-CB 3.45Å; G56-R59 PolarHBondContact O-N 3.31Å; G56-R59 VanDerWaalsContact O-N 3.16Å; R59-P63 VanDerWaalsContact O-CD 3.31Å; R59-P63 WeakPolarHBondContact O-CD 3.49Å
60	V	96.3	Very high	97.4	Very high	105 Å²	105	44.6 Å²	44.6	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-68.3	-40.4	179.5	173.8	0	0	0	0	111.7	G56 P57 C58	G56-V60 PolarHBondContact O-N 3.49Å; P57-V60 PolarHBondContact O-N 2.99Å; C58-V60 VanDerWaalsContact C-N 3.3Å; C58-V60 PolarHBondContact O-N 3.27Å
61	I	97.9	Very high	97.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-86.4	-22.4	-175.4	-155.2	68.4	0	0	0	113.5	P57 C58 V64 Y65 P98 F100 A115 K117 L120	P57-I61 PolarHBondContact O-N 3.02Å; P57-I61 VanDerWaalsContact O-N 3.16Å; C58-I61 PolarHBondContact O-N 3.5Å; I61-V64 HydrophobicContact CD1-CB 4.19Å; I61-V64 HydrophobicContact CD1-CG1 4.31Å; I61-V64 HydrophobicContact CD1-CG2 4.49Å; I61-V64 WeakPolarHBondContact O-CB 3.3Å; I61-V64 PolarHBondContact O-N 2.92Å; I61-V64 VanDerWaalsContact O-N 3.09Å; I61-Y65 WeakPolarHBondContact O-CB 3.37Å; I61-Y65 PolarHBondContact O-N 2.83Å; I61-P98 HydrophobicContact CG2-CB 4.3Å; I61-P98 HydrophobicContact CG2-CG 3.98Å; I61-F100 HydrophobicContact CG1-CZ 3.97Å; I61-F100 HydrophobicContact CG2-CZ 3.93Å; I61-A115 HydrophobicContact CB-CB 4.13Å; I61-K117 HydrophobicContact CD1-CB 3.84Å; I61-L120 HydrophobicContact CD1-CD2 4.19Å; I61-L120 HydrophobicContact CG1-CD2 4.01Å
62	A	98	Very high	97.4	Very high	9 Å²	9	51 Å²	51	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-44.7	-175.7	0	0	0	0	0	114.1	I16 C58 V64 Y65 A66	I16-A62 HydrophobicContact CG2-CB 3.63Å; C58-A62 WeakPolarHBondContact O-CB 2.79Å; C58-A62 PolarHBondContact O-N 3.4Å; A62-V64 VanDerWaalsContact C-N 3.33Å; A62-V64 PolarHBondContact O-N 2.93Å; A62-Y65 PolarHBondContact O-N 2.86Å; A62-A66 PolarHBondContact O-N 2.99Å
63	P	97.6	Very high	97.4	Very high	87 Å²	87	54.6 Å²	54.6	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-63.6	-37.2	175.5	-22.5	34.2	0	0	0	113.3	R59 A66 E67	R59-P63 VanDerWaalsContact O-CD 3.31Å; R59-P63 WeakPolarHBondContact O-CD 3.49Å; P63-A66 PolarHBondContact O-N 3.43Å; P63-E67 PolarHBondContact O-N 3.3Å
64	V	97.9	Very high	97.5	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-43.1	176.9	179.1	0	0	0	0	110.2	I61 A62 A66 E67 M68 K117	I61-V64 HydrophobicContact CD1-CB 4.19Å; I61-V64 HydrophobicContact CD1-CG1 4.31Å; I61-V64 HydrophobicContact CD1-CG2 4.49Å; I61-V64 WeakPolarHBondContact O-CB 3.3Å; I61-V64 PolarHBondContact O-N 2.92Å; I61-V64 VanDerWaalsContact O-N 3.09Å; A62-V64 VanDerWaalsContact C-N 3.33Å; A62-V64 PolarHBondContact O-N 2.93Å; V64-A66 VanDerWaalsContact C-N 3.33Å; V64-A66 PolarHBondContact O-N 3.49Å; V64-E67 PolarHBondContact O-N 2.79Å; V64-M68 HydrophobicContact CG1-CE 3.77Å; V64-M68 HydrophobicContact CG1-SD 4.36Å; V64-M68 VanDerWaalsContact O-CG 3.31Å; V64-M68 WeakPolarHBondContact O-CG 3.27Å; V64-M68 PolarHBondContact O-N 2.92Å; V64-K117 HydrophobicContact CG1-CD 4.08Å; V64-K117 HydrophobicContact CG1-CG 4.06Å; V64-K117 HydrophobicContact CG2-CD 3.97Å
65	Y	98.6	Very high	97.7	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-38.7	178.3	-170.4	-103.3	0	0	0	111.8	V23 I47 N49 I61 A62 M68 S69 F77 L78 T79 F100 L120	V23-Y65 HydrophobicContact CG1-CD1 4.32Å; V23-Y65 HydrophobicContact CG1-CE1 3.89Å; V23-Y65 HydrophobicContact CG2-CD1 3.69Å; V23-Y65 HydrophobicContact CG2-CE1 3.77Å; I47-Y65 HydrophobicContact CG2-CE2 3.86Å; I47-Y65 PolarHBondContact O-OH 3.28Å; N49-Y65 HydrophobicContact CB-CD1 4.47Å; N49-Y65 HydrophobicContact CB-CE1 3.94Å; N49-Y65 HydrophobicContact CB-CE2 4Å; I61-Y65 WeakPolarHBondContact O-CB 3.37Å; I61-Y65 PolarHBondContact O-N 2.83Å; A62-Y65 PolarHBondContact O-N 2.86Å; Y65-M68 PolarHBondContact O-N 3.34Å; Y65-S69 PolarHBondContact O-N 3Å; Y65-F77 HydrophobicContact CD1-CD1 4.45Å; Y65-F77 HydrophobicContact CD2-CD1 4.03Å; Y65-F77 HydrophobicContact CD2-CE1 4.38Å; Y65-F77 HydrophobicContact CE1-CB 4Å; Y65-F77 AromaticContact CE1-CD1 3.99Å; Y65-F77 HydrophobicContact CE1-CD1 3.99Å; Y65-F77 AromaticContact CE2-CD1 3.53Å; Y65-F77 HydrophobicContact CE2-CD1 3.53Å; Y65-F77 HydrophobicContact CE2-CE1 4.09Å; Y65-F77 HydrophobicContact CG-CD1 4.45Å; Y65-F77 AromaticContact CZ-CD1 3.49Å; Y65-F77 VanDerWaalsContact CZ-CD1 3.49Å; Y65-F77 WeakPolarHBondContact OH-CA 3.39Å; Y65-L78 PolarHBondContact OH-N 3.09Å; Y65-L78 VanDerWaalsContact OH-N 3.13Å; Y65-L78 PolarHBondContact OH-O 3.42Å; Y65-T79 WeakPolarHBondContact CE1-OG1 3.31Å; Y65-F100 HydrophobicContact CD2-CD1 4.28Å; Y65-F100 AromaticContact CD2-CE1 3.75Å; Y65-F100 HydrophobicContact CD2-CE1 3.75Å; Y65-F100 HydrophobicContact CE2-CD1 4Å; Y65-F100 AromaticContact CE2-CE1 3.9Å; Y65-F100 HydrophobicContact CE2-CE1 3.9Å; Y65-L120 HydrophobicContact CD2-CD2 4.4Å
66	A	98.5	Very high	97.9	Very high	13 Å²	13	48.4 Å²	48.4	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-46.3	171.4	0	0	0	0	0	112.4	G20 A62 P63 V64 M68 S69 Q70	G20-A66 VanDerWaalsContact C-CB 3.43Å; G20-A66 WeakPolarHBondContact O-CB 3.36Å; A62-A66 PolarHBondContact O-N 2.99Å; P63-A66 PolarHBondContact O-N 3.43Å; V64-A66 VanDerWaalsContact C-N 3.33Å; V64-A66 PolarHBondContact O-N 3.49Å; A66-M68 PolarHBondContact O-N 2.99Å; A66-S69 WeakPolarHBondContact O-CB 3.41Å; A66-S69 PolarHBondContact O-N 2.79Å; A66-S69 PolarHBondContact O-OG 3.2Å; A66-Q70 PolarHBondContact O-N 3.2Å
67	E	98.3	Very high	98	Very high	114 Å²	114	46.4 Å²	46.4	53%	0.533	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-42.1	176.4	-176.4	180	-174.6	0	0	112.1	P63 V64 S69 Q70 T71	P63-E67 PolarHBondContact O-N 3.3Å; V64-E67 PolarHBondContact O-N 2.79Å; E67-S69 VanDerWaalsContact C-N 3.29Å; E67-S69 PolarHBondContact O-N 3.31Å; E67-Q70 PolarHBondContact O-N 2.61Å; E67-Q70 VanDerWaalsContact O-N 3.16Å; E67-T71 PolarHBondContact O-N 2.78Å; E67-T71 PolarHBondContact O-OG1 2.89Å
68	M	98.6	Very high	98.1	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-40.2	174.1	-72.6	173	174	0	0	111.9	V64 Y65 A66 Q70 T71 Y72 F77 L120 E121 V124	V64-M68 HydrophobicContact CG1-CE 3.77Å; V64-M68 HydrophobicContact CG1-SD 4.36Å; V64-M68 VanDerWaalsContact O-CG 3.31Å; V64-M68 WeakPolarHBondContact O-CG 3.27Å; V64-M68 PolarHBondContact O-N 2.92Å; Y65-M68 PolarHBondContact O-N 3.34Å; A66-M68 PolarHBondContact O-N 2.99Å; M68-Q70 PolarHBondContact O-N 2.89Å; M68-T71 PolarHBondContact O-N 3.45Å; M68-T71 VanDerWaalsContact O-N 3.12Å; M68-Y72 HydrophobicContact CB-CD2 4.44Å; M68-Y72 WeakPolarHBondContact O-CD2 3.45Å; M68-Y72 PolarHBondContact O-N 2.98Å; M68-F77 HydrophobicContact CB-CE1 3.61Å; M68-F77 HydrophobicContact CB-CZ 3.85Å; M68-L120 HydrophobicContact CE-CB 4.32Å; M68-L120 HydrophobicContact CE-CD2 4.1Å; M68-L120 HydrophobicContact CE-CG 3.88Å; M68-L120 HydrophobicContact SD-CD2 3.86Å; M68-L120 HydrophobicContact SD-CG 3.87Å; M68-E121 HydrophobicContact CE-CB 3.97Å; M68-E121 HydrophobicContact CE-CG 3.11Å; M68-V124 HydrophobicContact SD-CG2 4.37Å
69	S	98.6	Very high	98.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-25.6	178.9	78.7	0	0	0	0	113.7	N22 Y65 A66 E67 F77	N22-S69 WeakPolarHBondContact CB-O 3.31Å; N22-S69 PolarHBondContact N-OG 3.13Å; N22-S69 PolarHBondContact ND2-O 2.98Å; Y65-S69 PolarHBondContact O-N 3Å; A66-S69 WeakPolarHBondContact O-CB 3.41Å; A66-S69 PolarHBondContact O-N 2.79Å; A66-S69 PolarHBondContact O-OG 3.2Å; E67-S69 VanDerWaalsContact C-N 3.29Å; E67-S69 PolarHBondContact O-N 3.31Å; S69-F77 VanDerWaalsContact CA-CD2 3.48Å; S69-F77 VanDerWaalsContact CB-CG 3.48Å
70	Q	98.5	Very high	98.2	Very high	118 Å²	118	37.8 Å²	37.8	55%	0.551	21%	0.207	S	C	*	.	H	α-helix	trans	-84.6	-36.9	174	-64.2	177	-36.4	0	0	111.8	A66 E67 M68	A66-Q70 PolarHBondContact O-N 3.2Å; E67-Q70 PolarHBondContact O-N 2.61Å; E67-Q70 VanDerWaalsContact O-N 3.16Å; M68-Q70 PolarHBondContact O-N 2.89Å
71	T	98.3	Very high	98.3	Very high	83 Å²	83	33.8 Å²	33.8	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-70.2	-34.2	179.7	-56.5	0	0	0	0	112.2	E67 M68 P73	E67-T71 PolarHBondContact O-N 2.78Å; E67-T71 PolarHBondContact O-OG1 2.89Å; M68-T71 PolarHBondContact O-N 3.45Å; M68-T71 VanDerWaalsContact O-N 3.12Å; T71-P73 VanDerWaalsContact O-CD 3.24Å; T71-P73 WeakPolarHBondContact O-CD 3.47Å
72	Y	98.2	Very high	98.3	Very high	50 Å²	50	34.6 Å²	34.6	20%	0.196	19%	0.187	C	C	.	.			trans	-118.8	64.4	-176.4	-60.1	-84.3	0	0	0	112.2	M68 Q74 F75 V124 A128	M68-Y72 HydrophobicContact CB-CD2 4.44Å; M68-Y72 WeakPolarHBondContact O-CD2 3.45Å; M68-Y72 PolarHBondContact O-N 2.98Å; Y72-Q74 PolarHBondContact O-N 2.82Å; Y72-Q74 VanDerWaalsContact O-N 3.11Å; Y72-F75 HydrophobicContact CD1-CD2 4.47Å; Y72-F75 HydrophobicContact CD1-CE2 4.18Å; Y72-F75 HydrophobicContact CG-CD2 4.26Å; Y72-F75 HydrophobicContact CG-CE2 4.39Å; Y72-F75 PolarHBondContact O-N 2.79Å; Y72-V124 HydrophobicContact CD1-CG1 4.05Å; Y72-V124 HydrophobicContact CD2-CG1 3.43Å; Y72-V124 VanDerWaalsContact CD2-CG1 3.43Å; Y72-V124 HydrophobicContact CE1-CG1 4.15Å; Y72-V124 HydrophobicContact CE2-CG1 3.55Å; Y72-V124 HydrophobicContact CG-CG1 3.7Å; Y72-A128 HydrophobicContact CD1-CB 3.79Å; Y72-A128 HydrophobicContact CE1-CB 3.68Å
73	P	97.6	Very high	98.2	Very high	77 Å²	77	37.5 Å²	37.5	50%	0.5	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.5	-177.7	30.5	-37.1	0	0	0	113.9	T71 F75	T71-P73 VanDerWaalsContact O-CD 3.24Å; T71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-F75 PolarHBondContact O-N 2.92Å
74	Q	97.3	Very high	98.1	Very high	85 Å²	85	40.8 Å²	40.8	40%	0.397	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.4	170.8	71.9	-87	38.6	0	0	113	K44 Y72	K44-Q74 WeakPolarHBondContact CG-O 3.36Å; Y72-Q74 PolarHBondContact O-N 2.82Å; Y72-Q74 VanDerWaalsContact O-N 3.11Å
75	F	98.5	Very high	98.1	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	21%	0.208	C	C	.	.	S	Bend	trans	-102.6	158.6	173.5	-57.5	-30.4	0	0	0	111.2	I45 I47 Y72 P73 F77 V124 L127 A128	I45-F75 HydrophobicContact CB-CD1 3.67Å; I45-F75 HydrophobicContact CB-CE1 3.88Å; I45-F75 HydrophobicContact CB-CG 4.44Å; I45-F75 HydrophobicContact CD1-CE1 3.92Å; I45-F75 HydrophobicContact CD1-CZ 4.48Å; I45-F75 HydrophobicContact CG1-CD1 4.41Å; I45-F75 HydrophobicContact CG1-CE1 4.19Å; I45-F75 HydrophobicContact CG2-CD1 4.49Å; I45-F75 CarbonylContact O-C 3.57Å; I45-F75 WeakPolarHBondContact O-CA 3.36Å; I45-F75 WeakPolarHBondContact O-CB 3.5Å; I47-F75 HydrophobicContact CD1-CB 4.11Å; I47-F75 HydrophobicContact CD1-CD2 3.74Å; I47-F75 HydrophobicContact CD1-CG 4.22Å; Y72-F75 HydrophobicContact CD1-CD2 4.47Å; Y72-F75 HydrophobicContact CD1-CE2 4.18Å; Y72-F75 HydrophobicContact CG-CD2 4.26Å; Y72-F75 HydrophobicContact CG-CE2 4.39Å; Y72-F75 PolarHBondContact O-N 2.79Å; P73-F75 PolarHBondContact O-N 2.92Å; F75-F77 HydrophobicContact CB-CD2 4.21Å; F75-F77 HydrophobicContact CB-CE2 3.71Å; F75-F77 HydrophobicContact CB-CZ 4.49Å; F75-F77 HydrophobicContact CD2-CE2 4.47Å; F75-V124 HydrophobicContact CD2-CG1 4.04Å; F75-V124 HydrophobicContact CE2-CG1 3.9Å; F75-L127 HydrophobicContact CE2-CB 4.4Å; F75-L127 HydrophobicContact CZ-CB 3.92Å; F75-A128 HydrophobicContact CE2-CB 4.01Å; F75-A128 HydrophobicContact CZ-CB 3.86Å
76	M	98.7	Very high	98	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.4	171.7	-175.8	175.8	-70.2	0	0	109.3	K35 E38 A39 I45 V46 I47 L78	K35-M76 HydrophobicContact CB-SD 3.93Å; K35-M76 HydrophobicContact CD-CE 4.14Å; K35-M76 HydrophobicContact CD-SD 3.66Å; K35-M76 HydrophobicContact CG-SD 4.4Å; E38-M76 HydrophobicContact CB-CE 4.2Å; E38-M76 HydrophobicContact CG-CE 3.91Å; A39-M76 HydrophobicContact CB-CB 4.46Å; A39-M76 HydrophobicContact CB-CE 4.09Å; A39-M76 HydrophobicContact CB-SD 4.05Å; I45-M76 PolarHBondContact O-N 2.88Å; V46-M76 CarbonylContact C-O 3.53Å; V46-M76 WeakPolarHBondContact CA-O 3.4Å; V46-M76 HydrophobicContact CG2-CB 4.27Å; I47-M76 PolarHBondContact N-O 2.84Å; M76-L78 HydrophobicContact CG-CD2 3.71Å; M76-L78 HydrophobicContact CG-CG 4.22Å; M76-L78 HydrophobicContact SD-CD2 3.88Å
77	F	98.9	Very high	97.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.7	179.2	-71.9	-108.9	0	0	0	109.3	V23 H24 I47 Y65 M68 S69 F75 V124	V23-F77 HydrophobicContact CG2-CB 4.08Å; H24-F77 PolarHBondContact N-O 3.11Å; I47-F77 HydrophobicContact CB-CD1 4.41Å; I47-F77 HydrophobicContact CB-CE1 4.49Å; I47-F77 HydrophobicContact CD1-CD1 4.28Å; I47-F77 HydrophobicContact CD1-CE1 3.62Å; I47-F77 HydrophobicContact CD1-CE2 3.97Å; I47-F77 HydrophobicContact CD1-CZ 3.44Å; I47-F77 VanDerWaalsContact CD1-CZ 3.44Å; Y65-F77 HydrophobicContact CD1-CD1 4.45Å; Y65-F77 HydrophobicContact CD2-CD1 4.03Å; Y65-F77 HydrophobicContact CD2-CE1 4.38Å; Y65-F77 HydrophobicContact CE1-CB 4Å; Y65-F77 AromaticContact CE1-CD1 3.99Å; Y65-F77 HydrophobicContact CE1-CD1 3.99Å; Y65-F77 AromaticContact CE2-CD1 3.53Å; Y65-F77 HydrophobicContact CE2-CD1 3.53Å; Y65-F77 HydrophobicContact CE2-CE1 4.09Å; Y65-F77 HydrophobicContact CG-CD1 4.45Å; Y65-F77 AromaticContact CZ-CD1 3.49Å; Y65-F77 VanDerWaalsContact CZ-CD1 3.49Å; Y65-F77 WeakPolarHBondContact OH-CA 3.39Å; M68-F77 HydrophobicContact CB-CE1 3.61Å; M68-F77 HydrophobicContact CB-CZ 3.85Å; S69-F77 VanDerWaalsContact CA-CD2 3.48Å; S69-F77 VanDerWaalsContact CB-CG 3.48Å; F75-F77 HydrophobicContact CB-CD2 4.21Å; F75-F77 HydrophobicContact CB-CE2 3.71Å; F75-F77 HydrophobicContact CB-CZ 4.49Å; F75-F77 HydrophobicContact CD2-CE2 4.47Å; F77-V124 HydrophobicContact CZ-CG1 4.46Å
78	L	98.8	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.6	-179.1	-55.1	-178.2	0	0	0	110.1	H24 I26 W32 K35 I36 V46 I47 A48 N49 Y65 M76 I80	H24-L78 HydrophobicContact CB-CD2 3.75Å; H24-L78 CarbonylContact O-C 3.51Å; H24-L78 VanDerWaalsContact O-CA 3.26Å; H24-L78 WeakPolarHBondContact O-CA 3.34Å; I26-L78 HydrophobicContact CD1-CB 4.36Å; I26-L78 HydrophobicContact CD1-CD1 4.09Å; I26-L78 HydrophobicContact CD1-CD2 3.96Å; I26-L78 HydrophobicContact CD1-CG 4.36Å; I26-L78 HydrophobicContact CG1-CB 4.15Å; I26-L78 HydrophobicContact CG1-CD1 4.45Å; W32-L78 HydrophobicContact CE3-CD1 4.21Å; W32-L78 HydrophobicContact CZ3-CD1 4.05Å; K35-L78 HydrophobicContact CB-CD1 4.23Å; K35-L78 HydrophobicContact CB-CD2 4.15Å; K35-L78 HydrophobicContact CD-CD2 4.26Å; K35-L78 HydrophobicContact CG-CD2 4.22Å; I36-L78 HydrophobicContact CD1-CD1 4.37Å; V46-L78 HydrophobicContact CG1-CD1 3.42Å; V46-L78 VanDerWaalsContact CG1-CD1 3.42Å; V46-L78 HydrophobicContact CG1-CG 3.79Å; I47-L78 PolarHBondContact O-N 3.37Å; A48-L78 CarbonylContact C-O 3.6Å; N49-L78 PolarHBondContact N-O 2.97Å; Y65-L78 PolarHBondContact OH-N 3.09Å; Y65-L78 VanDerWaalsContact OH-N 3.13Å; Y65-L78 PolarHBondContact OH-O 3.42Å; M76-L78 HydrophobicContact CG-CD2 3.71Å; M76-L78 HydrophobicContact CG-CG 4.22Å; M76-L78 HydrophobicContact SD-CD2 3.88Å; L78-I80 HydrophobicContact CB-CD1 4.32Å
79	T	98.7	Very high	97.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135	168.6	-65.2	0	0	0	0	110.8	F18 V23 H24 V25 I26 N49 Y65	F18-T79 HydrophobicContact CB-CG2 3.69Å; F18-T79 HydrophobicContact CD1-CG2 3.67Å; F18-T79 HydrophobicContact CD2-CG2 4.19Å; F18-T79 HydrophobicContact CE1-CG2 4.3Å; F18-T79 HydrophobicContact CG-CG2 3.6Å; V23-T79 WeakPolarHBondContact CG1-OG1 3.32Å; H24-T79 PolarHBondContact O-N 3.2Å; V25-T79 WeakPolarHBondContact CA-O 3.33Å; I26-T79 PolarHBondContact N-O 2.88Å; N49-T79 WeakPolarHBondContact O-CA 3.48Å; Y65-T79 WeakPolarHBondContact CE1-OG1 3.31Å
80	I	98.5	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.1	-177.1	-56.3	92.7	0	0	0	106.2	I26 W32 A48 N49 F50 S51 L78 V82 L85 F88	I26-I80 HydrophobicContact CB-CG1 3.89Å; I26-I80 HydrophobicContact CG1-CD1 4.34Å; I26-I80 HydrophobicContact CG1-CG1 3.82Å; I26-I80 HydrophobicContact CG2-CG1 4.46Å; W32-I80 HydrophobicContact CE3-CD1 4.39Å; W32-I80 HydrophobicContact CE3-CG1 4.38Å; W32-I80 HydrophobicContact CZ3-CD1 3.87Å; W32-I80 HydrophobicContact CZ3-CG1 4.31Å; A48-I80 HydrophobicContact CB-CD1 3.95Å; N49-I80 PolarHBondContact O-N 2.85Å; F50-I80 WeakPolarHBondContact CA-O 3.4Å; F50-I80 HydrophobicContact CD1-CB 3.97Å; F50-I80 HydrophobicContact CD1-CG2 3.9Å; F50-I80 HydrophobicContact CD2-CD1 4.32Å; F50-I80 HydrophobicContact CE1-CB 4.2Å; F50-I80 HydrophobicContact CE1-CG1 4.42Å; F50-I80 HydrophobicContact CE1-CG2 3.93Å; F50-I80 HydrophobicContact CE2-CD1 4.21Å; F50-I80 HydrophobicContact CG-CB 4.39Å; F50-I80 HydrophobicContact CZ-CD1 4.36Å; S51-I80 PolarHBondContact N-O 2.86Å; L78-I80 HydrophobicContact CB-CD1 4.32Å; I80-V82 PolarHBondContact O-N 3.17Å; I80-L85 HydrophobicContact CG2-CB 4.12Å; I80-L85 HydrophobicContact CG2-CD1 3.68Å; I80-F88 HydrophobicContact CG1-CE1 4.39Å; I80-F88 HydrophobicContact CG2-CD1 4.05Å; I80-F88 HydrophobicContact CG2-CE1 4.1Å
81	D	97.8	Very high	97.7	Very high	21 Å²	21	51 Å²	51	11%	0.112	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.1	169.1	-167.9	-49.3	0	0	0	108.5	S51 A53 D83 E84 L85	S51-D81 WeakPolarHBondContact O-CA 3.24Å; A53-D81 PolarHBondContact N-OD2 3.13Å; D81-D83 PolarHBondContact O-N 2.88Å; D81-D83 WeakPolarHBondContact OD1-CB 3.37Å; D81-D83 PolarHBondContact OD1-N 2.72Å; D81-E84 HydrophobicContact CB-CB 4.07Å; D81-E84 HydrophobicContact CB-CG 3.94Å; D81-E84 PolarHBondContact O-N 3.42Å; D81-E84 PolarHBondContact OD1-N 3.35Å; D81-L85 PolarHBondContact O-N 2.59Å; D81-L85 VanDerWaalsContact O-N 3.08Å
82	V	97.9	Very high	97.7	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.109	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.3	-175.1	-60.2	0	0	0	0	113	F50 S51 A52 I80 L85 M86 S89 I94 T97	F50-V82 HydrophobicContact CB-CG1 3.99Å; F50-V82 HydrophobicContact CD1-CG1 4.24Å; S51-V82 WeakPolarHBondContact O-CG1 3.26Å; S51-V82 WeakPolarHBondContact O-CG2 3.33Å; S51-V82 PolarHBondContact O-N 3.49Å; A52-V82 HydrophobicContact CB-CG2 3.94Å; I80-V82 PolarHBondContact O-N 3.17Å; V82-L85 CarbonylContact O-C 3.43Å; V82-M86 VanDerWaalsContact O-CA 3.24Å; V82-M86 WeakPolarHBondContact O-CA 3.21Å; V82-M86 WeakPolarHBondContact O-CG 3.38Å; V82-M86 PolarHBondContact O-N 3.36Å; V82-S89 WeakPolarHBondContact CA-OG 3.44Å; V82-I94 HydrophobicContact CG1-CG2 4.05Å; V82-T97 HydrophobicContact CG1-CG2 3.85Å; V82-T97 HydrophobicContact CG2-CG2 4Å
83	D	96.3	Very high	97.6	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-34.4	179	-57.8	-44	0	0	0	111.3	W54 D81 L85 M86	W54-D83 PolarHBondContact NE1-OD2 3.18Å; D81-D83 PolarHBondContact O-N 2.88Å; D81-D83 WeakPolarHBondContact OD1-CB 3.37Å; D81-D83 PolarHBondContact OD1-N 2.72Å; D83-L85 VanDerWaalsContact C-N 3.28Å; D83-M86 WeakPolarHBondContact O-CG 3.19Å
84	E	96.5	Very high	97.6	Very high	157 Å²	157	49.2 Å²	49.2	73%	0.734	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.2	173.9	-63.5	-65.1	159.1	0	0	111.6	D81	D81-E84 HydrophobicContact CB-CB 4.07Å; D81-E84 HydrophobicContact CB-CG 3.94Å; D81-E84 PolarHBondContact O-N 3.42Å; D81-E84 PolarHBondContact OD1-N 3.35Å
85	L	97	Very high	97.5	Very high	18 Å²	18	55.1 Å²	55.1	9%	0.094	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	51.1	-175.1	-68.6	162.6	0	0	0	111.7	I26 I80 D81 V82 D83 D87 F88 S89	I26-L85 HydrophobicContact CB-CD1 4.36Å; I26-L85 HydrophobicContact CG2-CD1 3.95Å; I26-L85 WeakPolarHBondContact O-CD1 3.49Å; I80-L85 HydrophobicContact CG2-CB 4.12Å; I80-L85 HydrophobicContact CG2-CD1 3.68Å; D81-L85 PolarHBondContact O-N 2.59Å; D81-L85 VanDerWaalsContact O-N 3.08Å; V82-L85 CarbonylContact O-C 3.43Å; D83-L85 VanDerWaalsContact C-N 3.28Å; L85-D87 PolarHBondContact O-N 3.32Å; L85-F88 HydrophobicContact CB-CB 4.28Å; L85-F88 HydrophobicContact CB-CD1 4.4Å; L85-F88 PolarHBondContact O-N 3.27Å; L85-S89 VanDerWaalsContact O-CB 3.3Å; L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-N 3.19Å; L85-S89 PolarHBondContact O-OG 2.7Å
86	M	96.8	Very high	97.5	Very high	122 Å²	122	56.7 Å²	56.7	60%	0.601	30%	0.296	S	S	*	.	H	α-helix	trans	-55.9	-52.4	-173.6	-68.7	-178.6	-73.3	0	0	114.1	V82 D83 F88 S89 S90	V82-M86 VanDerWaalsContact O-CA 3.24Å; V82-M86 WeakPolarHBondContact O-CA 3.21Å; V82-M86 WeakPolarHBondContact O-CG 3.38Å; V82-M86 PolarHBondContact O-N 3.36Å; D83-M86 WeakPolarHBondContact O-CG 3.19Å; M86-F88 VanDerWaalsContact C-N 3.35Å; M86-F88 PolarHBondContact O-N 3.43Å; M86-S89 PolarHBondContact O-N 3.37Å; M86-S90 VanDerWaalsContact O-CB 3.3Å; M86-S90 WeakPolarHBondContact O-CB 3.49Å; M86-S90 PolarHBondContact O-N 2.74Å; M86-S90 PolarHBondContact O-OG 2.83Å
87	D	96.9	Very high	97.4	Very high	149 Å²	149	57.6 Å²	57.6	80%	0.797	30%	0.301	S	S	*	.	H	α-helix	trans	-65.2	-41.7	-177.1	-69.5	-19.1	0	0	0	111.4	L85 S90 S91	L85-D87 PolarHBondContact O-N 3.32Å; D87-S90 PolarHBondContact O-N 3.06Å; D87-S91 PolarHBondContact O-N 3.24Å; D87-S91 VanDerWaalsContact O-N 3.09Å
88	F	97.2	Very high	97.4	Very high	20 Å²	20	57.5 Å²	57.5	9%	0.088	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-50.7	175.4	174	-107	0	0	0	110.5	K29 W32 F50 I80 L85 M86 S90 S91 W92	K29-F88 HydrophobicContact CD-CD2 3.6Å; K29-F88 HydrophobicContact CD-CE2 3.74Å; W32-F88 HydrophobicContact CB-CZ 4.39Å; W32-F88 HydrophobicContact CD2-CE1 4.19Å; W32-F88 HydrophobicContact CD2-CE2 4.1Å; W32-F88 AromaticContact CD2-CZ 3.38Å; W32-F88 HydrophobicContact CD2-CZ 3.38Å; W32-F88 AromaticContact CE2-CZ 3.67Å; W32-F88 HydrophobicContact CE3-CE1 4.02Å; W32-F88 AromaticContact CE3-CZ 3.64Å; W32-F88 HydrophobicContact CE3-CZ 3.64Å; W32-F88 HydrophobicContact CG-CE2 4Å; W32-F88 AromaticContact CG-CZ 3.71Å; W32-F88 HydrophobicContact CG-CZ 3.71Å; W32-F88 HydrophobicContact CH2-CZ 4.37Å; W32-F88 HydrophobicContact CZ2-CZ 4.18Å; W32-F88 HydrophobicContact CZ3-CE1 4.44Å; W32-F88 HydrophobicContact CZ3-CZ 4.12Å; F50-F88 HydrophobicContact CE1-CD1 4.12Å; F50-F88 AromaticContact CE1-CE1 3.7Å; F50-F88 HydrophobicContact CE1-CE1 3.7Å; F50-F88 AromaticContact CZ-CE1 3.83Å; F50-F88 HydrophobicContact CZ-CE1 3.83Å; F50-F88 HydrophobicContact CZ-CZ 4.32Å; I80-F88 HydrophobicContact CG1-CE1 4.39Å; I80-F88 HydrophobicContact CG2-CD1 4.05Å; I80-F88 HydrophobicContact CG2-CE1 4.1Å; L85-F88 HydrophobicContact CB-CB 4.28Å; L85-F88 HydrophobicContact CB-CD1 4.4Å; L85-F88 PolarHBondContact O-N 3.27Å; M86-F88 VanDerWaalsContact C-N 3.35Å; M86-F88 PolarHBondContact O-N 3.43Å; F88-S90 VanDerWaalsContact C-N 3.27Å; F88-S90 PolarHBondContact O-N 3.29Å; F88-S91 WeakPolarHBondContact O-CB 3.38Å; F88-S91 PolarHBondContact O-N 3.16Å; F88-S91 VanDerWaalsContact O-N 3.07Å; F88-S91 PolarHBondContact O-OG 3.3Å; F88-W92 AromaticContact CE2-CD1 3.87Å; F88-W92 AromaticContact CE2-NE1 3.31Å; F88-W92 VanDerWaalsContact CE2-NE1 3.31Å; F88-W92 AromaticContact CZ-CD1 3.78Å; F88-W92 AromaticContact CZ-NE1 3.23Å; F88-W92 PolarHBondContact O-N 3.16Å
89	S	97.7	Very high	97.4	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-35.8	179	-57.7	0	0	0	0	112	V82 L85 M86 S91 W92 I94	V82-S89 WeakPolarHBondContact CA-OG 3.44Å; L85-S89 VanDerWaalsContact O-CB 3.3Å; L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-N 3.19Å; L85-S89 PolarHBondContact O-OG 2.7Å; M86-S89 PolarHBondContact O-N 3.37Å; S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 2.97Å; S89-W92 PolarHBondContact O-N 2.9Å; S89-W92 VanDerWaalsContact O-N 3.09Å; S89-I94 VanDerWaalsContact O-CG1 3.31Å; S89-I94 WeakPolarHBondContact O-CG1 3.47Å
90	S	96.8	Very high	97.4	Very high	87 Å²	87	57.5 Å²	57.5	61%	0.608	30%	0.301	S	S	*	.	H	α-helix	trans	-62.4	-38.2	174.4	-61.5	0	0	0	0	111.8	M86 D87 F88 W92 D93	M86-S90 VanDerWaalsContact O-CB 3.3Å; M86-S90 WeakPolarHBondContact O-CB 3.49Å; M86-S90 PolarHBondContact O-N 2.74Å; M86-S90 PolarHBondContact O-OG 2.83Å; D87-S90 PolarHBondContact O-N 3.06Å; F88-S90 VanDerWaalsContact C-N 3.27Å; F88-S90 PolarHBondContact O-N 3.29Å; S90-W92 PolarHBondContact O-N 3.07Å; S90-D93 PolarHBondContact O-N 3.08Å
91	S	97.2	Very high	97.4	Very high	90 Å²	90	57.7 Å²	57.7	63%	0.629	30%	0.302	S	S	*	.	H	α-helix	trans	-64.9	-18.1	175.9	77.3	0	0	0	0	114	D87 F88 S89	D87-S91 PolarHBondContact O-N 3.24Å; D87-S91 VanDerWaalsContact O-N 3.09Å; F88-S91 WeakPolarHBondContact O-CB 3.38Å; F88-S91 PolarHBondContact O-N 3.16Å; F88-S91 VanDerWaalsContact O-N 3.07Å; F88-S91 PolarHBondContact O-OG 3.3Å; S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 2.97Å
92	W	97.5	Very high	97.5	Very high	57 Å²	57	56.7 Å²	56.7	22%	0.216	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.6	174.7	-76.7	81.5	0	0	0	114.1	W32 F50 F88 S89 S90 I94 F101 L103	W32-W92 HydrophobicContact CH2-CH2 4.25Å; W32-W92 AromaticContact CH2-CZ2 3.9Å; W32-W92 HydrophobicContact CH2-CZ2 3.9Å; W32-W92 AromaticContact CZ2-CH2 3.92Å; W32-W92 HydrophobicContact CZ2-CH2 3.92Å; W32-W92 AromaticContact CZ2-CZ2 3.34Å; W32-W92 HydrophobicContact CZ2-CZ2 3.34Å; F50-W92 HydrophobicContact CE1-CB 4.24Å; F50-W92 HydrophobicContact CE1-CG 4.15Å; F50-W92 HydrophobicContact CE2-CD2 4.27Å; F50-W92 HydrophobicContact CE2-CE3 4.38Å; F50-W92 HydrophobicContact CE2-CG 4.4Å; F50-W92 HydrophobicContact CZ-CB 4.04Å; F50-W92 AromaticContact CZ-CD1 3.85Å; F50-W92 AromaticContact CZ-CD2 3.81Å; F50-W92 HydrophobicContact CZ-CD2 3.81Å; F50-W92 HydrophobicContact CZ-CE3 4.37Å; F50-W92 AromaticContact CZ-CG 3.62Å; F50-W92 HydrophobicContact CZ-CG 3.62Å; F88-W92 AromaticContact CE2-CD1 3.87Å; F88-W92 AromaticContact CE2-NE1 3.31Å; F88-W92 VanDerWaalsContact CE2-NE1 3.31Å; F88-W92 AromaticContact CZ-CD1 3.78Å; F88-W92 AromaticContact CZ-NE1 3.23Å; F88-W92 PolarHBondContact O-N 3.16Å; S89-W92 PolarHBondContact O-N 2.9Å; S89-W92 VanDerWaalsContact O-N 3.09Å; S90-W92 PolarHBondContact O-N 3.07Å; W92-I94 VanDerWaalsContact C-N 3.29Å; W92-I94 HydrophobicContact CB-CD1 3.98Å; W92-I94 HydrophobicContact CB-CG1 4.05Å; W92-I94 PolarHBondContact O-N 3.01Å; W92-F101 HydrophobicContact CE3-CD1 4.09Å; W92-F101 AromaticContact CE3-CD2 3.95Å; W92-F101 HydrophobicContact CE3-CD2 3.95Å; W92-F101 HydrophobicContact CE3-CE1 4.01Å; W92-F101 AromaticContact CE3-CE2 3.88Å; W92-F101 HydrophobicContact CE3-CE2 3.88Å; W92-F101 HydrophobicContact CE3-CG 4.02Å; W92-F101 AromaticContact CE3-CZ 3.89Å; W92-F101 HydrophobicContact CE3-CZ 3.89Å; W92-F101 HydrophobicContact CZ3-CB 4.28Å; W92-F101 AromaticContact CZ3-CD1 3.97Å; W92-F101 HydrophobicContact CZ3-CD1 3.97Å; W92-F101 HydrophobicContact CZ3-CD2 4.28Å; W92-F101 HydrophobicContact CZ3-CE1 4.3Å; W92-F101 AromaticContact CZ3-CG 3.93Å; W92-F101 HydrophobicContact CZ3-CG 3.93Å; W92-L103 HydrophobicContact CH2-CD1 3.91Å; W92-L103 HydrophobicContact CH2-CD2 3.86Å; W92-L103 HydrophobicContact CZ3-CD2 4.04Å
93	D	96.5	Very high	97.5	Very high	81 Å²	81	56 Å²	56	43%	0.433	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	46.6	-177.5	-175.5	37	0	0	0	112.2	S90 R95	S90-D93 PolarHBondContact O-N 3.08Å; D93-R95 PolarHBondContact O-N 3.13Å; D93-R95 IonicContact OD1-CZ 3.83Å; D93-R95 IonicContact OD1-NE 3.33Å; D93-R95 PolarHBondContact OD1-NE 3.46Å; D93-R95 IonicContact OD1-NH2 2.7Å; D93-R95 IonicContact OD2-CZ 2.72Å; D93-R95 VanDerWaalsContact OD2-CZ 3.26Å; D93-R95 IonicContact OD2-NE 2.74Å; D93-R95 PolarHBondContact OD2-NE 2.06Å; D93-R95 IonicContact OD2-NH2 3.82Å; D93-R95 PolarHBondContact OD2-NH2 2.75Å
94	I	97.7	Very high	97.6	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.179	30%	0.295	C	S	.	.			trans	-72.9	111.2	175.9	-53.8	-60.3	0	0	0	109.5	F50 V82 S89 W92 T97 T99 F101	F50-I94 HydrophobicContact CB-CD1 3.76Å; F50-I94 HydrophobicContact CB-CG1 4.14Å; F50-I94 HydrophobicContact CB-CG2 4.33Å; F50-I94 HydrophobicContact CD1-CD1 3.7Å; F50-I94 HydrophobicContact CD1-CG1 3.64Å; F50-I94 HydrophobicContact CD2-CD1 3.77Å; F50-I94 HydrophobicContact CE1-CD1 4.18Å; F50-I94 HydrophobicContact CE1-CG1 4.14Å; F50-I94 HydrophobicContact CE2-CD1 4.26Å; F50-I94 HydrophobicContact CG-CD1 3.46Å; F50-I94 VanDerWaalsContact CG-CD1 3.46Å; F50-I94 HydrophobicContact CG-CG1 3.89Å; F50-I94 HydrophobicContact CZ-CD1 4.44Å; V82-I94 HydrophobicContact CG1-CG2 4.05Å; S89-I94 VanDerWaalsContact O-CG1 3.31Å; S89-I94 WeakPolarHBondContact O-CG1 3.47Å; W92-I94 VanDerWaalsContact C-N 3.29Å; W92-I94 HydrophobicContact CB-CD1 3.98Å; W92-I94 HydrophobicContact CB-CG1 4.05Å; W92-I94 PolarHBondContact O-N 3.01Å; I94-T97 HydrophobicContact CG2-CG2 4.24Å; I94-T99 HydrophobicContact CD1-CG2 4.17Å; I94-F101 HydrophobicContact CD1-CE2 3.52Å; I94-F101 HydrophobicContact CD1-CZ 4.21Å
95	R	95.4	Very high	97.5	Very high	208 Å²	208	54.7 Å²	54.7	79%	0.785	29%	0.286	S	S	*	.			trans	-107.3	-10.3	179.2	-53.1	-172.6	-141.8	176.5	9.9	114.2	D93	D93-R95 PolarHBondContact O-N 3.13Å; D93-R95 IonicContact OD1-CZ 3.83Å; D93-R95 IonicContact OD1-NE 3.33Å; D93-R95 PolarHBondContact OD1-NE 3.46Å; D93-R95 IonicContact OD1-NH2 2.7Å; D93-R95 IonicContact OD2-CZ 2.72Å; D93-R95 VanDerWaalsContact OD2-CZ 3.26Å; D93-R95 IonicContact OD2-NE 2.74Å; D93-R95 PolarHBondContact OD2-NE 2.06Å; D93-R95 IonicContact OD2-NH2 3.82Å; D93-R95 PolarHBondContact OD2-NH2 2.75Å
96	A	97.8	Very high	97.3	Very high	45 Å²	45	55.7 Å²	55.7	37%	0.372	30%	0.3	S	S	.	.	S	Bend	trans	-155.9	150.4	179.7	0	0	0	0	0	110.1	T99 V113	A96-T99 PolarHBondContact O-OG1 2.99Å; A96-V113 HydrophobicContact CB-CG1 3.85Å
97	T	98.1	Very high	97.3	Very high	23 Å²	23	56.8 Å²	56.8	14%	0.141	30%	0.304	C	S	.	.	S	Bend	trans	-120	144.7	173.3	53.9	0	0	0	0	110.6	A52 C55 C58 V82 I94	A52-T97 HydrophobicContact CB-CG2 4.44Å; C55-T97 PolarHBondContact SG-O 3.35Å; C55-T97 VanDerWaalsContact SG-O 3.37Å; C55-T97 PolarHBondContact SG-OG1 3.16Å; C55-T97 VanDerWaalsContact SG-OG1 3.4Å; C58-T97 VanDerWaalsContact SG-CB 3.59Å; V82-T97 HydrophobicContact CG1-CG2 3.85Å; V82-T97 HydrophobicContact CG2-CG2 4Å; I94-T97 HydrophobicContact CG2-CG2 4.24Å
98	P	98.6	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.29	C	S	.	.	S	Bend	cis	-72	147.4	-7.4	33.1	-36.1	0	0	0	111.3	N49 F50 C58 I61 F100 G114 A115	N49-P98 WeakPolarHBondContact OD1-CB 3.36Å; F50-P98 CarbonylContact O-C 3.55Å; F50-P98 VanDerWaalsContact O-CA 3.24Å; F50-P98 WeakPolarHBondContact O-CA 3.25Å; C58-P98 VanDerWaalsContact SG-N 3.4Å; I61-P98 HydrophobicContact CG2-CB 4.3Å; I61-P98 HydrophobicContact CG2-CG 3.98Å; P98-F100 HydrophobicContact CB-CE2 3.8Å; P98-F100 HydrophobicContact CB-CZ 3.79Å; P98-F100 HydrophobicContact CG-CE2 3.82Å; P98-F100 HydrophobicContact CG-CZ 4.04Å; P98-G114 WeakPolarHBondContact O-CA 3.47Å; P98-G114 PolarHBondContact O-N 3.49Å; P98-A115 HydrophobicContact CG-CB 4.08Å
99	T	98.9	Very high	97.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.1	165.5	-72.4	0	0	0	0	108.7	F50 I94 A96 F101 K111 L112 V113	F50-T99 PolarHBondContact N-O 2.88Å; F50-T99 PolarHBondContact O-N 2.85Å; I94-T99 HydrophobicContact CD1-CG2 4.17Å; A96-T99 PolarHBondContact O-OG1 2.99Å; T99-F101 HydrophobicContact CG2-CD2 4Å; T99-F101 HydrophobicContact CG2-CE2 3.5Å; T99-F101 VanDerWaalsContact CG2-CE2 3.5Å; T99-F101 HydrophobicContact CG2-CZ 4.04Å; T99-K111 HydrophobicContact CG2-CG 4.36Å; T99-L112 CarbonylContact C-O 3.58Å; T99-V113 HydrophobicContact CG2-CG2 4.19Å
100	F	98.8	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.4	178.8	-53.5	-87.4	0	0	0	110.3	A48 N49 I61 Y65 P98 F102 K111 L112 L120	A48-F100 CarbonylContact O-C 3.54Å; A48-F100 WeakPolarHBondContact O-CA 3.35Å; N49-F100 HydrophobicContact CB-CD1 3.82Å; N49-F100 HydrophobicContact CB-CE1 3.69Å; I61-F100 HydrophobicContact CG1-CZ 3.97Å; I61-F100 HydrophobicContact CG2-CZ 3.93Å; Y65-F100 HydrophobicContact CD2-CD1 4.28Å; Y65-F100 AromaticContact CD2-CE1 3.75Å; Y65-F100 HydrophobicContact CD2-CE1 3.75Å; Y65-F100 HydrophobicContact CE2-CD1 4Å; Y65-F100 AromaticContact CE2-CE1 3.9Å; Y65-F100 HydrophobicContact CE2-CE1 3.9Å; P98-F100 HydrophobicContact CB-CE2 3.8Å; P98-F100 HydrophobicContact CB-CZ 3.79Å; P98-F100 HydrophobicContact CG-CE2 3.82Å; P98-F100 HydrophobicContact CG-CZ 4.04Å; F100-F102 HydrophobicContact CB-CE2 4.22Å; F100-K111 CarbonylContact O-C 3.55Å; F100-K111 VanDerWaalsContact O-CA 3.28Å; F100-K111 WeakPolarHBondContact O-CA 3.42Å; F100-L112 HydrophobicContact CB-CB 4.24Å; F100-L112 HydrophobicContact CD2-CB 4.24Å; F100-L112 HydrophobicContact CD2-CD2 4.14Å; F100-L112 HydrophobicContact CD2-CG 4.2Å; F100-L112 PolarHBondContact N-O 3.47Å; F100-L112 PolarHBondContact O-N 3.37Å; F100-L120 HydrophobicContact CB-CD1 4.49Å; F100-L120 HydrophobicContact CD1-CD1 4.16Å; F100-L120 HydrophobicContact CD1-CD2 4.43Å; F100-L120 HydrophobicContact CD2-CD1 4.37Å; F100-L120 HydrophobicContact CE1-CD2 3.97Å; F100-L120 HydrophobicContact CE2-CD2 4.26Å; F100-L120 HydrophobicContact CG-CD1 4.08Å; F100-L120 HydrophobicContact CZ-CD2 3.88Å
101	F	98.8	Very high	97.4	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.6	166.6	-68.7	-89.6	0	0	0	109.9	I47 A48 F50 W92 I94 T99 L103 Q108 K111	I47-F101 CarbonylContact C-O 3.52Å; I47-F101 WeakPolarHBondContact CA-O 3.3Å; A48-F101 PolarHBondContact N-O 3.22Å; A48-F101 PolarHBondContact O-N 2.89Å; F50-F101 AromaticContact CD2-CD2 3.71Å; F50-F101 HydrophobicContact CD2-CD2 3.71Å; F50-F101 AromaticContact CD2-CE2 3.97Å; F50-F101 HydrophobicContact CD2-CE2 3.97Å; F50-F101 AromaticContact CE2-CD2 3.59Å; F50-F101 HydrophobicContact CE2-CD2 3.59Å; F50-F101 AromaticContact CE2-CE2 3.95Å; F50-F101 HydrophobicContact CE2-CE2 3.95Å; W92-F101 HydrophobicContact CE3-CD1 4.09Å; W92-F101 AromaticContact CE3-CD2 3.95Å; W92-F101 HydrophobicContact CE3-CD2 3.95Å; W92-F101 HydrophobicContact CE3-CE1 4.01Å; W92-F101 AromaticContact CE3-CE2 3.88Å; W92-F101 HydrophobicContact CE3-CE2 3.88Å; W92-F101 HydrophobicContact CE3-CG 4.02Å; W92-F101 AromaticContact CE3-CZ 3.89Å; W92-F101 HydrophobicContact CE3-CZ 3.89Å; W92-F101 HydrophobicContact CZ3-CB 4.28Å; W92-F101 AromaticContact CZ3-CD1 3.97Å; W92-F101 HydrophobicContact CZ3-CD1 3.97Å; W92-F101 HydrophobicContact CZ3-CD2 4.28Å; W92-F101 HydrophobicContact CZ3-CE1 4.3Å; W92-F101 AromaticContact CZ3-CG 3.93Å; W92-F101 HydrophobicContact CZ3-CG 3.93Å; I94-F101 HydrophobicContact CD1-CE2 3.52Å; I94-F101 HydrophobicContact CD1-CZ 4.21Å; T99-F101 HydrophobicContact CG2-CD2 4Å; T99-F101 HydrophobicContact CG2-CE2 3.5Å; T99-F101 VanDerWaalsContact CG2-CE2 3.5Å; T99-F101 HydrophobicContact CG2-CZ 4.04Å; F101-L103 HydrophobicContact CB-CD2 4.08Å; F101-Q108 HydrophobicContact CD1-CG 3.95Å; F101-Q108 VanDerWaalsContact CD1-OE1 3.27Å; F101-K111 HydrophobicContact CD1-CB 4.33Å; F101-K111 HydrophobicContact CD1-CD 4.21Å; F101-K111 HydrophobicContact CD1-CG 4.09Å; F101-K111 HydrophobicContact CE1-CD 3.58Å; F101-K111 HydrophobicContact CE1-CG 3.95Å; F101-K111 HydrophobicContact CZ-CD 3.96Å; F101-K111 HydrophobicContact CZ-CG 4.43Å
102	F	98.7	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.9	174.9	-58.7	-104.6	0	0	0	107.1	V46 I47 F100 Q108 V109 D110 L112 L120 K123 V124 L127	V46-F102 CarbonylContact O-C 3.56Å; V46-F102 WeakPolarHBondContact O-CA 3.22Å; I47-F102 HydrophobicContact CD1-CE1 4.46Å; I47-F102 HydrophobicContact CG1-CD1 3.86Å; I47-F102 HydrophobicContact CG1-CE1 4.12Å; I47-F102 HydrophobicContact CG2-CD1 4.3Å; I47-F102 HydrophobicContact CG2-CE1 4.1Å; F100-F102 HydrophobicContact CB-CE2 4.22Å; F102-Q108 WeakPolarHBondContact O-CA 3.08Å; F102-V109 HydrophobicContact CB-CG2 3.99Å; F102-V109 WeakPolarHBondContact O-CG2 3.23Å; F102-V109 PolarHBondContact O-N 3.43Å; F102-D110 HydrophobicContact CB-CB 3.88Å; F102-D110 HydrophobicContact CD2-CB 3.69Å; F102-D110 HydrophobicContact CE2-CB 4.46Å; F102-D110 HydrophobicContact CG-CB 3.94Å; F102-D110 PolarHBondContact N-O 2.9Å; F102-D110 PolarHBondContact O-N 3.48Å; F102-L112 HydrophobicContact CE2-CB 4.36Å; F102-L120 HydrophobicContact CZ-CD1 3.86Å; F102-K123 HydrophobicContact CE1-CB 3.99Å; F102-K123 HydrophobicContact CE2-CB 4.35Å; F102-K123 HydrophobicContact CE2-CD 3.95Å; F102-K123 HydrophobicContact CZ-CB 3.65Å; F102-K123 HydrophobicContact CZ-CD 4.01Å; F102-K123 HydrophobicContact CZ-CG 4.47Å; F102-V124 HydrophobicContact CE1-CG2 3.93Å; F102-L127 HydrophobicContact CB-CD1 4.1Å; F102-L127 HydrophobicContact CD1-CD1 3.3Å; F102-L127 HydrophobicContact CE1-CD1 3.98Å; F102-L127 HydrophobicContact CG-CD1 3.99Å
103	L	98.6	Very high	97.6	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.6	-175.4	-43.3	176	0	0	0	110.5	W32 I36 I45 V46 W92 F101 E107 Q108	W32-L103 HydrophobicContact CH2-CD1 3.7Å; W32-L103 HydrophobicContact CZ2-CD1 3.7Å; I36-L103 HydrophobicContact CD1-CD1 3.92Å; I45-L103 CarbonylContact C-O 3.59Å; I45-L103 WeakPolarHBondContact CA-O 3.46Å; I45-L103 WeakPolarHBondContact CG2-O 3.18Å; V46-L103 HydrophobicContact CB-CB 4.15Å; V46-L103 HydrophobicContact CG1-CD1 4.47Å; V46-L103 PolarHBondContact N-O 3.09Å; V46-L103 PolarHBondContact O-N 3.22Å; W92-L103 HydrophobicContact CH2-CD1 3.91Å; W92-L103 HydrophobicContact CH2-CD2 3.86Å; W92-L103 HydrophobicContact CZ3-CD2 4.04Å; F101-L103 HydrophobicContact CB-CD2 4.08Å; L103-E107 CarbonylContact C-O 3.59Å; L103-E107 WeakPolarHBondContact CA-O 3.3Å; L103-Q108 HydrophobicContact CD2-CB 3.96Å; L103-Q108 HydrophobicContact CD2-CG 4.47Å
104	K	97.3	Very high	97.6	Very high	98 Å²	98	53.9 Å²	53.9	43%	0.426	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.1	171.1	-174.4	173.5	-177.2	171.1	0	107.9	I45 G106 E107 V109	I45-K104 HydrophobicContact CD1-CD 4.47Å; I45-K104 HydrophobicContact CG1-CB 4.29Å; I45-K104 HydrophobicContact CG1-CD 4.4Å; I45-K104 HydrophobicContact CG1-CG 4.25Å; K104-G106 PolarHBondContact O-N 2.88Å; K104-E107 PolarHBondContact N-O 3.49Å; K104-E107 PolarHBondContact O-N 2.81Å; K104-V109 HydrophobicContact CB-CG1 3.93Å; K104-V109 HydrophobicContact CB-CG2 4.48Å
105	N	95.6	Very high	97.7	Very high	102 Å²	102	54 Å²	54	55%	0.545	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	35	-177.3	-58.2	-27.8	0	0	0	113.4	N40 E107	N40-N105 VanDerWaalsContact OD1-C 3.32Å; N40-N105 WeakPolarHBondContact OD1-CA 3.43Å; N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 PolarHBondContact O-N 2.93Å
106	G	92.1	Very high	97.8	Very high	39 Å²	39	47.7 Å²	47.7	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-3.8	-176.1	0	0	0	0	0	115.8	N40 K104	N40-G106 PolarHBondContact OD1-N 3.05Å; N40-G106 VanDerWaalsContact OD1-N 3.13Å; K104-G106 PolarHBondContact O-N 2.88Å
107	E	96.5	Very high	97.8	Very high	145 Å²	145	49.6 Å²	49.6	68%	0.678	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.1	178.3	-64.5	-174.4	170.6	0	0	111.7	L103 K104 N105 V109	L103-E107 CarbonylContact C-O 3.59Å; L103-E107 WeakPolarHBondContact CA-O 3.3Å; K104-E107 PolarHBondContact N-O 3.49Å; K104-E107 PolarHBondContact O-N 2.81Å; N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 PolarHBondContact O-N 2.93Å; E107-V109 PolarHBondContact O-N 2.82Å
108	Q	97.8	Very high	97.8	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.8	174.4	-178.8	-169	-41.8	0	0	110.8	F101 F102 L103	F101-Q108 HydrophobicContact CD1-CG 3.95Å; F101-Q108 VanDerWaalsContact CD1-OE1 3.27Å; F102-Q108 WeakPolarHBondContact O-CA 3.08Å; L103-Q108 HydrophobicContact CD2-CB 3.96Å; L103-Q108 HydrophobicContact CD2-CG 4.47Å
109	V	97.9	Very high	97.8	Very high	78 Å²	78	55.5 Å²	55.5	47%	0.473	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-22.3	176.7	-62.5	0	0	0	0	113.3	F102 K104 E107	F102-V109 HydrophobicContact CB-CG2 3.99Å; F102-V109 WeakPolarHBondContact O-CG2 3.23Å; F102-V109 PolarHBondContact O-N 3.43Å; K104-V109 HydrophobicContact CB-CG1 3.93Å; K104-V109 HydrophobicContact CB-CG2 4.48Å; E107-V109 PolarHBondContact O-N 2.82Å
110	D	98	Very high	97.8	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.3	176.9	-156.9	-12.7	0	0	0	110.8	F102 K123	F102-D110 HydrophobicContact CB-CB 3.88Å; F102-D110 HydrophobicContact CD2-CB 3.69Å; F102-D110 HydrophobicContact CE2-CB 4.46Å; F102-D110 HydrophobicContact CG-CB 3.94Å; F102-D110 PolarHBondContact N-O 2.9Å; F102-D110 PolarHBondContact O-N 3.48Å; D110-K123 IonicContact OD1-NZ 2.59Å; D110-K123 PolarHBondContact OD1-NZ 3.37Å; D110-K123 WeakPolarHBondContact OD2-CD 3.34Å; D110-K123 IonicContact OD2-NZ 3.6Å; D110-K123 PolarHBondContact OD2-NZ 2.8Å
111	K	98.5	Very high	97.8	Very high	75 Å²	75	59.1 Å²	59.1	33%	0.326	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.1	176.6	-175.4	179.1	-175.6	170.6	0	110.4	T99 F100 F101	T99-K111 HydrophobicContact CG2-CG 4.36Å; F100-K111 CarbonylContact O-C 3.55Å; F100-K111 VanDerWaalsContact O-CA 3.28Å; F100-K111 WeakPolarHBondContact O-CA 3.42Å; F101-K111 HydrophobicContact CD1-CB 4.33Å; F101-K111 HydrophobicContact CD1-CD 4.21Å; F101-K111 HydrophobicContact CD1-CG 4.09Å; F101-K111 HydrophobicContact CE1-CD 3.58Å; F101-K111 HydrophobicContact CE1-CG 3.95Å; F101-K111 HydrophobicContact CZ-CD 3.96Å; F101-K111 HydrophobicContact CZ-CG 4.43Å
112	L	98.7	Very high	97.8	Very high	16 Å²	16	65.3 Å²	65.3	8%	0.084	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.2	170	175.8	64.6	0	0	0	109.7	T99 F100 F102 N116 E119 L120 K123	T99-L112 CarbonylContact C-O 3.58Å; F100-L112 HydrophobicContact CB-CB 4.24Å; F100-L112 HydrophobicContact CD2-CB 4.24Å; F100-L112 HydrophobicContact CD2-CD2 4.14Å; F100-L112 HydrophobicContact CD2-CG 4.2Å; F100-L112 PolarHBondContact N-O 3.47Å; F100-L112 PolarHBondContact O-N 3.37Å; F102-L112 HydrophobicContact CE2-CB 4.36Å; L112-N116 HydrophobicContact CD1-CB 4.38Å; L112-E119 HydrophobicContact CD1-CB 4.21Å; L112-E119 HydrophobicContact CD1-CG 3.82Å; L112-E119 HydrophobicContact CD2-CB 4.4Å; L112-E119 HydrophobicContact CD2-CG 4.49Å; L112-L120 HydrophobicContact CD2-CB 3.65Å; L112-L120 HydrophobicContact CD2-CD1 4.13Å; L112-L120 HydrophobicContact CD2-CG 4.45Å; L112-K123 HydrophobicContact CB-CD 4.21Å
113	V	98.6	Very high	97.8	Very high	78 Å²	78	67 Å²	67	47%	0.473	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.3	176.1	-179.7	0	0	0	0	109.2	A96 T99	A96-V113 HydrophobicContact CB-CG1 3.85Å; T99-V113 HydrophobicContact CG2-CG2 4.19Å
114	G	98.3	Very high	97.8	Very high	24 Å²	24	66.8 Å²	66.8	25%	0.247	36%	0.355	C	S	.	.	S	Bend	trans	89.2	164.2	179.5	0	0	0	0	0	114	P98 N116	P98-G114 WeakPolarHBondContact O-CA 3.47Å; P98-G114 PolarHBondContact O-N 3.49Å; G114-N116 PolarHBondContact O-N 3.08Å
115	A	97.9	Very high	97.8	Very high	37 Å²	37	63.4 Å²	63.4	31%	0.306	35%	0.345	S	S	.	.			trans	-78.6	55.3	-178.7	0	0	0	0	0	112.6	P57 I61 P98 K117	P57-A115 HydrophobicContact CB-CB 3.73Å; P57-A115 WeakPolarHBondContact O-CB 3.24Å; I61-A115 HydrophobicContact CB-CB 4.13Å; P98-A115 HydrophobicContact CG-CB 4.08Å; A115-K117 PolarHBondContact O-N 3.19Å
116	N	98.2	Very high	97.9	Very high	77 Å²	77	61 Å²	61	41%	0.412	34%	0.339	S	S	.	.			trans	-87.6	87.2	175.7	-173.4	-16.9	0	0	0	110.1	L112 G114 P118 E119 L120	L112-N116 HydrophobicContact CD1-CB 4.38Å; G114-N116 PolarHBondContact O-N 3.08Å; N116-P118 WeakPolarHBondContact OD1-CD 3.22Å; N116-E119 HydrophobicContact CB-CB 4.16Å; N116-E119 VanDerWaalsContact CG-CB 3.44Å; N116-E119 WeakPolarHBondContact ND2-CB 3.35Å; N116-E119 PolarHBondContact O-N 3.38Å; N116-E119 WeakPolarHBondContact OD1-CB 2.96Å; N116-E119 PolarHBondContact OD1-N 2.85Å; N116-L120 WeakPolarHBondContact O-CB 3.46Å; N116-L120 PolarHBondContact O-N 3.41Å
117	K	98.3	Very high	98.1	Very high	85 Å²	85	60.7 Å²	60.7	37%	0.37	33%	0.328	S	S	.	.	H	α-helix	trans	-53.3	-53.7	-179.2	166.9	177.8	-176.1	177	0	113.1	I61 V64 A115 E119 L120 E121	I61-K117 HydrophobicContact CD1-CB 3.84Å; V64-K117 HydrophobicContact CG1-CD 4.08Å; V64-K117 HydrophobicContact CG1-CG 4.06Å; V64-K117 HydrophobicContact CG2-CD 3.97Å; A115-K117 PolarHBondContact O-N 3.19Å; K117-E119 VanDerWaalsContact C-N 3.31Å; K117-E119 PolarHBondContact O-N 3.47Å; K117-L120 PolarHBondContact O-N 2.82Å; K117-E121 VanDerWaalsContact CE-CD 3.47Å; K117-E121 WeakPolarHBondContact CE-OE1 3.28Å; K117-E121 HydrophobicContact CG-CG 4.37Å; K117-E121 IonicContact NZ-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.48Å; K117-E121 PolarHBondContact O-N 3.34Å
118	P	98.4	Very high	98.1	Very high	91 Å²	91	54.7 Å²	54.7	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-59.1	-39.8	-178.6	-26.6	34.6	0	0	0	113.7	N116 K122	N116-P118 WeakPolarHBondContact OD1-CD 3.22Å; P118-K122 VanDerWaalsContact O-CB 3.3Å; P118-K122 WeakPolarHBondContact O-CB 3.48Å; P118-K122 PolarHBondContact O-N 3.49Å
119	E	98.7	Very high	97.9	Very high	55 Å²	55	56.2 Å²	56.2	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-71.8	-36	178.8	-171.3	62.1	-161.5	0	0	111.7	L112 N116 K117 K122 K123	L112-E119 HydrophobicContact CD1-CB 4.21Å; L112-E119 HydrophobicContact CD1-CG 3.82Å; L112-E119 HydrophobicContact CD2-CB 4.4Å; L112-E119 HydrophobicContact CD2-CG 4.49Å; N116-E119 HydrophobicContact CB-CB 4.16Å; N116-E119 VanDerWaalsContact CG-CB 3.44Å; N116-E119 WeakPolarHBondContact ND2-CB 3.35Å; N116-E119 PolarHBondContact O-N 3.38Å; N116-E119 WeakPolarHBondContact OD1-CB 2.96Å; N116-E119 PolarHBondContact OD1-N 2.85Å; K117-E119 VanDerWaalsContact C-N 3.31Å; K117-E119 PolarHBondContact O-N 3.47Å; E119-K122 PolarHBondContact O-N 3.07Å; E119-K122 IonicContact OE2-NZ 3.77Å; E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.47Å; E119-K123 VanDerWaalsContact OE1-CE 3.25Å; E119-K123 WeakPolarHBondContact OE1-CE 3.44Å; E119-K123 IonicContact OE1-NZ 2.69Å
120	L	98.7	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-49.8	173.5	-177	59.8	0	0	0	111.1	I61 Y65 M68 F100 F102 L112 N116 K117 K122 K123 V124	I61-L120 HydrophobicContact CD1-CD2 4.19Å; I61-L120 HydrophobicContact CG1-CD2 4.01Å; Y65-L120 HydrophobicContact CD2-CD2 4.4Å; M68-L120 HydrophobicContact CE-CB 4.32Å; M68-L120 HydrophobicContact CE-CD2 4.1Å; M68-L120 HydrophobicContact CE-CG 3.88Å; M68-L120 HydrophobicContact SD-CD2 3.86Å; M68-L120 HydrophobicContact SD-CG 3.87Å; F100-L120 HydrophobicContact CB-CD1 4.49Å; F100-L120 HydrophobicContact CD1-CD1 4.16Å; F100-L120 HydrophobicContact CD1-CD2 4.43Å; F100-L120 HydrophobicContact CD2-CD1 4.37Å; F100-L120 HydrophobicContact CE1-CD2 3.97Å; F100-L120 HydrophobicContact CE2-CD2 4.26Å; F100-L120 HydrophobicContact CG-CD1 4.08Å; F100-L120 HydrophobicContact CZ-CD2 3.88Å; F102-L120 HydrophobicContact CZ-CD1 3.86Å; L112-L120 HydrophobicContact CD2-CB 3.65Å; L112-L120 HydrophobicContact CD2-CD1 4.13Å; L112-L120 HydrophobicContact CD2-CG 4.45Å; N116-L120 WeakPolarHBondContact O-CB 3.46Å; N116-L120 PolarHBondContact O-N 3.41Å; K117-L120 PolarHBondContact O-N 2.82Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 2.62Å; L120-K123 PolarHBondContact O-N 3.34Å; L120-V124 HydrophobicContact CD1-CG2 4.24Å; L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.66Å
121	E	98.3	Very high	95.9	Very high	79 Å²	79	60.7 Å²	60.7	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-55.4	-47.8	176.4	-75	173.9	155.7	0	0	111.5	M68 K117 K123 V124 A125	M68-E121 HydrophobicContact CE-CB 3.97Å; M68-E121 HydrophobicContact CE-CG 3.11Å; K117-E121 VanDerWaalsContact CE-CD 3.47Å; K117-E121 WeakPolarHBondContact CE-OE1 3.28Å; K117-E121 HydrophobicContact CG-CG 4.37Å; K117-E121 IonicContact NZ-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.48Å; K117-E121 PolarHBondContact O-N 3.34Å; E121-K123 PolarHBondContact O-N 3.4Å; E121-V124 PolarHBondContact O-N 3.34Å; E121-A125 VanDerWaalsContact O-CB 3.32Å; E121-A125 WeakPolarHBondContact O-CB 3.47Å; E121-A125 PolarHBondContact O-N 2.62Å
122	K	98.3	Very high	95.7	Very high	133 Å²	133	60 Å²	60	58%	0.578	36%	0.363	S	S	*	.	H	α-helix	trans	-60.4	-46	178.7	179.5	-174.2	169	-161.3	0	112.4	P118 E119 L120 A126	P118-K122 VanDerWaalsContact O-CB 3.3Å; P118-K122 WeakPolarHBondContact O-CB 3.48Å; P118-K122 PolarHBondContact O-N 3.49Å; E119-K122 PolarHBondContact O-N 3.07Å; E119-K122 IonicContact OE2-NZ 3.77Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 2.62Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.42Å
123	K	98.5	Very high	95.6	Very high	34 Å²	34	62.3 Å²	62.3	15%	0.148	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-44.2	179.6	-74.6	174.8	178.6	-71.9	0	111.8	F102 D110 L112 E119 L120 E121 A126 L127	F102-K123 HydrophobicContact CE1-CB 3.99Å; F102-K123 HydrophobicContact CE2-CB 4.35Å; F102-K123 HydrophobicContact CE2-CD 3.95Å; F102-K123 HydrophobicContact CZ-CB 3.65Å; F102-K123 HydrophobicContact CZ-CD 4.01Å; F102-K123 HydrophobicContact CZ-CG 4.47Å; D110-K123 IonicContact OD1-NZ 2.59Å; D110-K123 PolarHBondContact OD1-NZ 3.37Å; D110-K123 WeakPolarHBondContact OD2-CD 3.34Å; D110-K123 IonicContact OD2-NZ 3.6Å; D110-K123 PolarHBondContact OD2-NZ 2.8Å; L112-K123 HydrophobicContact CB-CD 4.21Å; E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.47Å; E119-K123 VanDerWaalsContact OE1-CE 3.25Å; E119-K123 WeakPolarHBondContact OE1-CE 3.44Å; E119-K123 IonicContact OE1-NZ 2.69Å; L120-K123 PolarHBondContact O-N 3.34Å; E121-K123 PolarHBondContact O-N 3.4Å; K123-A126 PolarHBondContact O-N 3.05Å; K123-L127 WeakPolarHBondContact O-CG 3.24Å; K123-L127 PolarHBondContact O-N 2.76Å; K123-L127 VanDerWaalsContact O-N 3.12Å
124	V	98.4	Very high	95.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-47.6	177.3	175.9	0	0	0	0	110.9	I47 M68 Y72 F75 F77 F102 L120 E121 L127 A128	I47-V124 HydrophobicContact CD1-CG1 4.21Å; I47-V124 HydrophobicContact CD1-CG2 3.76Å; M68-V124 HydrophobicContact SD-CG2 4.37Å; Y72-V124 HydrophobicContact CD1-CG1 4.05Å; Y72-V124 HydrophobicContact CD2-CG1 3.43Å; Y72-V124 VanDerWaalsContact CD2-CG1 3.43Å; Y72-V124 HydrophobicContact CE1-CG1 4.15Å; Y72-V124 HydrophobicContact CE2-CG1 3.55Å; Y72-V124 HydrophobicContact CG-CG1 3.7Å; F75-V124 HydrophobicContact CD2-CG1 4.04Å; F75-V124 HydrophobicContact CE2-CG1 3.9Å; F77-V124 HydrophobicContact CZ-CG1 4.46Å; F102-V124 HydrophobicContact CE1-CG2 3.93Å; L120-V124 HydrophobicContact CD1-CG2 4.24Å; L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.66Å; E121-V124 PolarHBondContact O-N 3.34Å; V124-L127 PolarHBondContact O-N 3.4Å; V124-A128 PolarHBondContact O-N 2.79Å
125	A	97.8	Very high	95.2	Very high	28 Å²	28	63.6 Å²	63.6	23%	0.231	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-45.9	178.2	0	0	0	0	0	112.1	E121 L127 A128 D129	E121-A125 VanDerWaalsContact O-CB 3.32Å; E121-A125 WeakPolarHBondContact O-CB 3.47Å; E121-A125 PolarHBondContact O-N 2.62Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.35Å; A125-A128 WeakPolarHBondContact O-CA 3.31Å; A125-A128 WeakPolarHBondContact O-CB 3.3Å; A125-A128 PolarHBondContact O-N 3.09Å; A125-D129 PolarHBondContact O-N 3.19Å
126	A	97.7	Very high	95.1	Very high	51 Å²	51	65.3 Å²	65.3	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-60.6	-36.8	179.1	0	0	0	0	0	112.9	K122 K123 S130	K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.42Å; K123-A126 PolarHBondContact O-N 3.05Å; A126-S130 WeakPolarHBondContact O-CB 3.3Å; A126-S130 PolarHBondContact O-N 3.24Å; A126-S130 PolarHBondContact O-OG 3.04Å
127	L	97	Very high	94.9	Very high	33 Å²	33	64.5 Å²	64.5	17%	0.173	38%	0.382	C	S	.	.	H	α-helix	trans	-70.3	-33	174	-71.7	169.4	0	0	0	112.2	I45 F75 F102 K123 V124 A125 S130 A131	I45-L127 HydrophobicContact CD1-CB 4.18Å; I45-L127 HydrophobicContact CD1-CD2 4.14Å; I45-L127 HydrophobicContact CG2-CD1 4.41Å; F75-L127 HydrophobicContact CE2-CB 4.4Å; F75-L127 HydrophobicContact CZ-CB 3.92Å; F102-L127 HydrophobicContact CB-CD1 4.1Å; F102-L127 HydrophobicContact CD1-CD1 3.3Å; F102-L127 HydrophobicContact CE1-CD1 3.98Å; F102-L127 HydrophobicContact CG-CD1 3.99Å; K123-L127 WeakPolarHBondContact O-CG 3.24Å; K123-L127 PolarHBondContact O-N 2.76Å; K123-L127 VanDerWaalsContact O-N 3.12Å; V124-L127 PolarHBondContact O-N 3.4Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.35Å; L127-S130 PolarHBondContact O-N 2.69Å; L127-A131 PolarHBondContact O-N 3.03Å
128	A	95.6	Very high	94.6	Very high	18 Å²	18	63.1 Å²	63.1	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-71	-37.1	178.3	0	0	0	0	0	111.7	Y72 F75 V124 A125 S130	Y72-A128 HydrophobicContact CD1-CB 3.79Å; Y72-A128 HydrophobicContact CE1-CB 3.68Å; F75-A128 HydrophobicContact CE2-CB 4.01Å; F75-A128 HydrophobicContact CZ-CB 3.86Å; V124-A128 PolarHBondContact O-N 2.79Å; A125-A128 WeakPolarHBondContact O-CA 3.31Å; A125-A128 WeakPolarHBondContact O-CB 3.3Å; A125-A128 PolarHBondContact O-N 3.09Å; A128-S130 PolarHBondContact O-N 3.09Å
129	D	93.1	Very high	94.3	Very high	141 Å²	141	60.9 Å²	60.9	75%	0.754	37%	0.367	S	S	*	.	H	α-helix	trans	-72.8	-17.9	176.5	-65.9	-24.7	0	0	0	113	A125	A125-D129 PolarHBondContact O-N 3.19Å
130	S	85.2	Confident	94	Very high	100 Å²	100	61.4 Å²	61.4	70%	0.699	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.5	-177.7	-56	0	0	0	0	114.3	A126 L127 A128	A126-S130 WeakPolarHBondContact O-CB 3.3Å; A126-S130 PolarHBondContact O-N 3.24Å; A126-S130 PolarHBondContact O-OG 3.04Å; L127-S130 PolarHBondContact O-N 2.69Å; A128-S130 PolarHBondContact O-N 3.09Å
131	A	68.7	Low	93.5	Very high	120 Å²	120	67 Å²	67	99%	0.992	41%	0.41	S	S	*	.			trans	-95	0	-178.6	0	0	0	0	0	111.3	L127	L127-A131 PolarHBondContact O-N 3.03Å

Retrieved 131 of 131 residues in 680.1 ms (Link to these results)

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