A0A5K4F6P9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6P9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 aa.

						>A0A5K4F6P9_SCHMA|A0A5K4F6P9
MIEKFNENRYLFDYSYVEWFHNCRHLIIICIFDFEEIPFLYLTIIMNEEMNKLSHPAVKFKRIYSSKRSSFAICHMSIHLRKLKMKLSLCRK
					

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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	25	Very low	29.4	Very low	237 Å²	237	164.6 Å²	164.6	100%	1.167	77%	0.765	S	S	*	*				0	106.9	0	-74.1	179.7	-62.7	0	0	107.1
2	I	26.4	Very low	29.9	Very low	163 Å²	163	153.7 Å²	153.7	84%	0.836	71%	0.713	S	S	*	*			trans	-97.3	103.5	167.2	-65.3	174.3	0	0	0	104.1	K4	I2-K4 PolarHBondContact O-N 2.94Å
3	E	26.7	Very low	30.6	Very low	181 Å²	181	151 Å²	151	85%	0.846	71%	0.707	S	S	*	*			trans	-59.7	106.4	168.2	-79.4	176.4	138.1	0	0	107.8	F5	E3-F5 PolarHBondContact O-N 3.07Å
4	K	31	Very low	31.2	Very low	165 Å²	165	148.7 Å²	148.7	72%	0.717	69%	0.69	S	S	*	*			trans	22.7	88.6	141.1	-103.1	-176.3	171.5	-179.9	0	114.3	I2 N6	I2-K4 PolarHBondContact O-N 2.94Å; K4-N6 HydrophobicContact CB-CB 3.63Å; K4-N6 HydrophobicContact CD-CB 3.97Å; K4-N6 WeakPolarHBondContact CE-ND2 3.46Å; K4-N6 HydrophobicContact CG-CB 3.69Å; K4-N6 PolarHBondContact O-N 3.23Å
5	F	28.9	Very low	31.8	Very low	161 Å²	161	145.9 Å²	145.9	71%	0.706	69%	0.694	S	S	*	*			trans	-69.3	56.5	157.8	-128.2	-93.9	0	0	0	109.1	E3	E3-F5 PolarHBondContact O-N 3.07Å
6	N	28.3	Very low	32.3	Very low	107 Å²	107	143.8 Å²	143.8	57%	0.572	68%	0.678	S	S	*	*			trans	-103.7	8.1	-156.6	-152.3	50.6	0	0	0	113.6	K4	K4-N6 HydrophobicContact CB-CB 3.63Å; K4-N6 HydrophobicContact CD-CB 3.97Å; K4-N6 WeakPolarHBondContact CE-ND2 3.46Å; K4-N6 HydrophobicContact CG-CB 3.69Å; K4-N6 PolarHBondContact O-N 3.23Å
7	E	28.7	Very low	32.8	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	66%	0.662	S	S	*	*	S	Bend	trans	-91.3	-15.4	179.8	-74.3	-168.5	156.8	0	0	114
8	N	29.5	Very low	33.1	Very low	99 Å²	99	135.4 Å²	135.4	53%	0.529	64%	0.643	S	S	.	*	S	Bend	trans	-98.7	108.9	171.8	-70.9	-34.1	0	0	0	109.2	Y10	N8-Y10 PolarHBondContact O-N 3.26Å
9	R	31.3	Very low	33.4	Very low	242 Å²	242	136.4 Å²	136.4	91%	0.913	64%	0.64	S	S	*	*			trans	-51.8	19.4	-174.9	-80.9	179.1	171.1	171.1	-2.8	118.3	L11	R9-L11 PolarHBondContact O-N 3.07Å
10	Y	36.3	Very low	33.9	Very low	117 Å²	117	134.4 Å²	134.4	46%	0.459	63%	0.629	S	S	.	*			trans	-90.9	97.8	169.7	-57.4	-75.2	0	0	0	107.3	N8 F12 I37	N8-Y10 PolarHBondContact O-N 3.26Å; Y10-F12 VanDerWaalsContact CB-CZ 3.41Å; Y10-F12 HydrophobicContact CG-CE2 4.2Å; Y10-F12 HydrophobicContact CG-CZ 4.05Å; Y10-F12 WeakPolarHBondContact O-CD2 3.44Å; Y10-F12 PolarHBondContact O-N 2.75Å; Y10-I37 HydrophobicContact CD1-CD1 4.49Å
11	L	31.5	Very low	34.2	Very low	151 Å²	151	134.4 Å²	134.4	79%	0.791	63%	0.629	S	S	*	*			trans	-59.3	86.3	168.1	-95.4	114.7	0	0	0	108.4	R9	R9-L11 PolarHBondContact O-N 3.07Å
12	F	35.6	Very low	34.9	Very low	33 Å²	33	129.7 Å²	129.7	15%	0.145	61%	0.608	C	S	.	*			trans	-90.4	98.7	165.9	-63.9	-49.9	0	0	0	106.1	Y10 Y14 F32 F34 L42	Y10-F12 VanDerWaalsContact CB-CZ 3.41Å; Y10-F12 HydrophobicContact CG-CE2 4.2Å; Y10-F12 HydrophobicContact CG-CZ 4.05Å; Y10-F12 WeakPolarHBondContact O-CD2 3.44Å; Y10-F12 PolarHBondContact O-N 2.75Å; F12-Y14 VanDerWaalsContact C-N 3.27Å; F12-Y14 HydrophobicContact CB-CD2 3.89Å; F12-Y14 HydrophobicContact CB-CE1 4.27Å; F12-Y14 HydrophobicContact CB-CE2 3.3Å; F12-Y14 HydrophobicContact CD2-CE2 4.42Å; F12-Y14 WeakPolarHBondContact CD2-OH 3.48Å; F12-Y14 HydrophobicContact CG-CE2 4.31Å; F12-Y14 WeakPolarHBondContact O-CD2 3.22Å; F12-Y14 WeakPolarHBondContact O-CE2 3.48Å; F12-Y14 PolarHBondContact O-N 3.2Å; F12-F32 HydrophobicContact CB-CD1 3.72Å; F12-F32 HydrophobicContact CB-CE1 4.02Å; F12-F32 AromaticContact CD1-CD1 3.55Å; F12-F32 HydrophobicContact CD1-CD1 3.55Å; F12-F32 HydrophobicContact CD1-CE1 4.1Å; F12-F32 HydrophobicContact CD2-CD1 4.46Å; F12-F32 HydrophobicContact CD2-CE1 4.25Å; F12-F32 HydrophobicContact CE1-CD1 4.33Å; F12-F32 AromaticContact CG-CD1 3.63Å; F12-F32 HydrophobicContact CG-CD1 3.63Å; F12-F32 AromaticContact CG-CE1 3.84Å; F12-F32 HydrophobicContact CG-CE1 3.84Å; F12-F34 AromaticContact CD1-CE1 3.96Å; F12-F34 HydrophobicContact CD1-CE1 3.96Å; F12-F34 HydrophobicContact CE1-CD1 4.41Å; F12-F34 AromaticContact CE1-CE1 3.56Å; F12-F34 HydrophobicContact CE1-CE1 3.56Å; F12-F34 HydrophobicContact CE1-CZ 4.38Å; F12-L42 HydrophobicContact CE1-CD1 4.4Å
13	D	38.1	Very low	35.9	Very low	119 Å²	119	127.5 Å²	127.5	64%	0.636	61%	0.607	S	S	*	*			trans	-72.1	86.9	170.4	-84.7	-33.7	0	0	0	109	S15	D13-S15 PolarHBondContact O-N 2.92Å; D13-S15 VanDerWaalsContact O-N 3.09Å
14	Y	40	Very low	37.2	Very low	119 Å²	119	126.1 Å²	126.1	47%	0.467	59%	0.594	S	S	.	*			trans	-73.2	97.3	176.7	-60.6	-90.5	0	0	0	109.9	F12 C30 F32	F12-Y14 VanDerWaalsContact C-N 3.27Å; F12-Y14 HydrophobicContact CB-CD2 3.89Å; F12-Y14 HydrophobicContact CB-CE1 4.27Å; F12-Y14 HydrophobicContact CB-CE2 3.3Å; F12-Y14 HydrophobicContact CD2-CE2 4.42Å; F12-Y14 WeakPolarHBondContact CD2-OH 3.48Å; F12-Y14 HydrophobicContact CG-CE2 4.31Å; F12-Y14 WeakPolarHBondContact O-CD2 3.22Å; F12-Y14 WeakPolarHBondContact O-CE2 3.48Å; F12-Y14 PolarHBondContact O-N 3.2Å; Y14-C30 HydrophobicContact CD1-CB 3.94Å; Y14-C30 HydrophobicContact CE1-CB 4.14Å; Y14-F32 HydrophobicContact CD1-CD1 4.24Å; Y14-F32 AromaticContact CD1-CE1 3.87Å; Y14-F32 HydrophobicContact CD1-CE1 3.87Å; Y14-F32 HydrophobicContact CD1-CZ 4.08Å; Y14-F32 AromaticContact CE1-CD1 3.75Å; Y14-F32 HydrophobicContact CE1-CD1 3.75Å; Y14-F32 AromaticContact CE1-CE1 3Å; Y14-F32 HydrophobicContact CE1-CE1 3Å; Y14-F32 HydrophobicContact CE1-CE2 4.24Å; Y14-F32 AromaticContact CE1-CZ 3.27Å; Y14-F32 HydrophobicContact CE1-CZ 3.27Å; Y14-F32 AromaticContact CZ-CE1 3.39Å; Y14-F32 WeakPolarHBondContact OH-CE1 3.41Å
15	S	40.4	Very low	38.2	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	58%	0.578	S	S	*	*			trans	-86.7	-10.6	-174.8	-67.9	0	0	0	0	115.4	D13	D13-S15 PolarHBondContact O-N 2.92Å; D13-S15 VanDerWaalsContact O-N 3.09Å
16	Y	39.1	Very low	39.3	Very low	112 Å²	112	115.9 Å²	115.9	44%	0.439	55%	0.551	S	S	.	*			trans	-156.8	119.6	-170.6	-165.6	-109.4	0	0	0	113.3	E18	Y16-E18 HydrophobicContact CD1-CB 4.35Å; Y16-E18 HydrophobicContact CE1-CB 3.59Å; Y16-E18 HydrophobicContact CE1-CG 4.31Å; Y16-E18 VanDerWaalsContact CE1-OE2 3.23Å; Y16-E18 WeakPolarHBondContact CE1-OE2 3.42Å; Y16-E18 PolarHBondContact OH-OE2 3.13Å
17	V	41.4	Very low	40.6	Very low	67 Å²	67	112.7 Å²	112.7	41%	0.406	53%	0.534	S	S	.	.			trans	-123.3	105.9	168.7	177.9	0	0	0	0	108	I28	V17-I28 HydrophobicContact CG1-CG2 4Å; V17-I28 HydrophobicContact CG2-CG2 4.41Å
18	E	37.4	Very low	42	Very low	71 Å²	71	105.4 Å²	105.4	33%	0.332	50%	0.5	S	S	.	.			trans	-93.7	127.2	175.7	-163.7	170.2	170.9	0	0	110.9	Y16 F20	Y16-E18 HydrophobicContact CD1-CB 4.35Å; Y16-E18 HydrophobicContact CE1-CB 3.59Å; Y16-E18 HydrophobicContact CE1-CG 4.31Å; Y16-E18 VanDerWaalsContact CE1-OE2 3.23Å; Y16-E18 WeakPolarHBondContact CE1-OE2 3.42Å; Y16-E18 PolarHBondContact OH-OE2 3.13Å; E18-F20 HydrophobicContact CB-CE2 3.91Å; E18-F20 HydrophobicContact CB-CZ 4.42Å; E18-F20 HydrophobicContact CG-CD2 4.34Å; E18-F20 HydrophobicContact CG-CE1 4.45Å; E18-F20 HydrophobicContact CG-CE2 3.67Å; E18-F20 HydrophobicContact CG-CZ 3.74Å; E18-F20 WeakPolarHBondContact OE1-CZ 3.38Å
19	W	39.9	Very low	43.3	Very low	153 Å²	153	102.4 Å²	102.4	58%	0.58	48%	0.484	S	S	*	.			trans	-98.1	96.8	-174.9	-68.3	58.3	0	0	0	110.2	H21 L26	W19-H21 AromaticContact CE3-NE2 3.92Å; W19-H21 PolarHBondContact O-N 3.06Å; W19-L26 HydrophobicContact CD2-CD1 3.94Å; W19-L26 HydrophobicContact CE3-CD1 3.5Å; W19-L26 VanDerWaalsContact CE3-CD1 3.5Å; W19-L26 HydrophobicContact CG-CD1 4.45Å; W19-L26 HydrophobicContact CZ3-CD1 3.94Å; W19-L26 HydrophobicContact CZ3-CD2 4.35Å
20	F	42.3	Very low	44.5	Very low	96 Å²	96	91.3 Å²	91.3	42%	0.421	44%	0.443	S	S	.	.			trans	-83.7	97.7	172.4	-65.3	-81.7	0	0	0	110.2	E18 N22 I27 I29	E18-F20 HydrophobicContact CB-CE2 3.91Å; E18-F20 HydrophobicContact CB-CZ 4.42Å; E18-F20 HydrophobicContact CG-CD2 4.34Å; E18-F20 HydrophobicContact CG-CE1 4.45Å; E18-F20 HydrophobicContact CG-CE2 3.67Å; E18-F20 HydrophobicContact CG-CZ 3.74Å; E18-F20 WeakPolarHBondContact OE1-CZ 3.38Å; F20-N22 PolarHBondContact O-N 2.75Å; F20-I27 HydrophobicContact CB-CD1 4.5Å; F20-I27 HydrophobicContact CD2-CB 4.48Å; F20-I27 HydrophobicContact CD2-CG2 4.46Å; F20-I29 HydrophobicContact CE2-CD1 4.09Å
21	H	39.8	Very low	45.5	Very low	136 Å²	136	88.4 Å²	88.4	63%	0.63	44%	0.435	S	S	*	.			trans	-75.5	88.1	170	-75.9	-86	0	0	0	110.3	W19	W19-H21 AromaticContact CE3-NE2 3.92Å; W19-H21 PolarHBondContact O-N 3.06Å
22	N	39.7	Very low	46.8	Very low	137 Å²	137	81.2 Å²	81.2	73%	0.733	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-108.2	114.5	148.2	-115.5	-31.6	0	0	0	105.3	F20 R24 H25	F20-N22 PolarHBondContact O-N 2.75Å; N22-R24 PolarHBondContact O-N 3.02Å; N22-H25 PolarHBondContact O-N 3.03Å
23	C	47.6	Very low	47.8	Very low	118 Å²	118	84.1 Å²	84.1	80%	0.797	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	7.3	-160.6	-77.9	0	0	0	0	119.7
24	R	54.4	Low	48.7	Very low	152 Å²	152	79.4 Å²	79.4	57%	0.574	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-23.9	176.8	-60.5	-176.7	-178.4	-180	3.9	113.9	N22 L80	N22-R24 PolarHBondContact O-N 3.02Å; R24-L80 PolarHBondContact O-N 3.43Å; R24-L80 VanDerWaalsContact O-N 3.09Å
25	H	52.7	Low	49.4	Very low	86 Å²	86	81.5 Å²	81.5	40%	0.398	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.4	-174.2	-53.7	118.3	0	0	0	110.5	N22 I78 H79	N22-H25 PolarHBondContact O-N 3.03Å; H25-I78 WeakPolarHBondContact CA-O 3.37Å; H25-H79 AromaticContact CD2-CD2 3.52Å; H25-H79 AromaticContact NE2-CD2 3.27Å; H25-H79 PolarHBondContact NE2-CD2 3.44Å; H25-H79 VanDerWaalsContact NE2-CD2 3.27Å; H25-H79 AromaticContact NE2-NE2 3.87Å
26	L	50.9	Low	49.9	Very low	24 Å²	24	85 Å²	85	13%	0.126	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121	161.7	173	66.1	0	0	0	107.2	W19 I28 S77 I78 L80	W19-L26 HydrophobicContact CD2-CD1 3.94Å; W19-L26 HydrophobicContact CE3-CD1 3.5Å; W19-L26 VanDerWaalsContact CE3-CD1 3.5Å; W19-L26 HydrophobicContact CG-CD1 4.45Å; W19-L26 HydrophobicContact CZ3-CD1 3.94Å; W19-L26 HydrophobicContact CZ3-CD2 4.35Å; L26-I28 HydrophobicContact CD2-CD1 4.32Å; L26-I28 HydrophobicContact CD2-CG1 4.38Å; L26-I28 HydrophobicContact CG-CG1 4.21Å; L26-S77 CarbonylContact O-C 3.56Å; L26-S77 WeakPolarHBondContact O-CA 3.31Å; L26-I78 HydrophobicContact CB-CB 4.2Å; L26-I78 HydrophobicContact CD2-CD1 4.29Å; L26-I78 PolarHBondContact N-O 3.33Å; L26-I78 PolarHBondContact O-N 3.08Å; L26-L80 HydrophobicContact CB-CD2 4.21Å
27	I	56.5	Low	50.7	Low	41 Å²	41	82.2 Å²	82.2	21%	0.21	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.7	174.3	-66.8	170.7	0	0	0	107.2	F20 I29 H75 M76	F20-I27 HydrophobicContact CB-CD1 4.5Å; F20-I27 HydrophobicContact CD2-CB 4.48Å; F20-I27 HydrophobicContact CD2-CG2 4.46Å; I27-I29 HydrophobicContact CG2-CG1 4.05Å; I27-H75 WeakPolarHBondContact CG2-CD2 3.4Å; I27-H75 WeakPolarHBondContact CG2-NE2 3.24Å; I27-M76 CarbonylContact C-O 3.5Å; I27-M76 WeakPolarHBondContact CA-O 3.41Å
28	I	57.8	Low	51.4	Low	35 Å²	35	83.4 Å²	83.4	18%	0.179	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.1	172.3	-61.5	170	0	0	0	106.4	V17 L26 M76 I78	V17-I28 HydrophobicContact CG1-CG2 4Å; V17-I28 HydrophobicContact CG2-CG2 4.41Å; L26-I28 HydrophobicContact CD2-CD1 4.32Å; L26-I28 HydrophobicContact CD2-CG1 4.38Å; L26-I28 HydrophobicContact CG-CG1 4.21Å; I28-M76 HydrophobicContact CB-CB 4.31Å; I28-M76 HydrophobicContact CB-CE 3.82Å; I28-M76 HydrophobicContact CD1-CE 4.48Å; I28-M76 HydrophobicContact CG2-CE 3.37Å; I28-M76 PolarHBondContact N-O 2.81Å; I28-M76 PolarHBondContact O-N 3.23Å; I28-I78 HydrophobicContact CD1-CD1 3.78Å
29	I	56.3	Low	52.3	Low	35 Å²	35	83.7 Å²	83.7	18%	0.179	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.9	170.1	-56.9	178.2	0	0	0	106.3	F20 I27 I73 C74	F20-I29 HydrophobicContact CE2-CD1 4.09Å; I27-I29 HydrophobicContact CG2-CG1 4.05Å; I29-I73 HydrophobicContact CG2-CG2 3.49Å; I29-I73 VanDerWaalsContact CG2-CG2 3.49Å; I29-C74 CarbonylContact C-O 3.56Å; I29-C74 VanDerWaalsContact CA-O 3.26Å; I29-C74 WeakPolarHBondContact CA-O 3.35Å
30	C	57.7	Low	52.9	Low	9 Å²	9	82.6 Å²	82.6	6%	0.061	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.7	172.8	-62.6	0	0	0	0	108.4	Y14 F32 I73 C74 M76	Y14-C30 HydrophobicContact CD1-CB 3.94Å; Y14-C30 HydrophobicContact CE1-CB 4.14Å; C30-F32 HydrophobicContact CB-CD2 4.15Å; C30-F32 HydrophobicContact CB-CE2 3.4Å; C30-F32 HydrophobicContact CB-CZ 3.77Å; C30-I73 CarbonylContact O-C 3.53Å; C30-I73 WeakPolarHBondContact O-CA 3.36Å; C30-C74 HydrophobicContact CB-CB 4.17Å; C30-C74 PolarHBondContact N-O 2.8Å; C30-C74 PolarHBondContact O-N 3.15Å; C30-M76 VanDerWaalsContact SG-CE 3.51Å
31	I	55.7	Low	53.7	Low	56 Å²	56	83.4 Å²	83.4	29%	0.287	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.1	172.8	-48.8	-178.1	0	0	0	106.3	F71 A72 I73	I31-F71 HydrophobicContact CG2-CB 3.98Å; I31-F71 HydrophobicContact CG2-CD2 4.03Å; I31-F71 HydrophobicContact CG2-CG 4.22Å; I31-A72 WeakPolarHBondContact CA-O 3.05Å; I31-I73 HydrophobicContact CG1-CG1 4.26Å
32	F	59.7	Low	54.4	Low	0 Å²	0	77 Å²	77	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	-178.2	-57.2	-106.4	0	0	0	108.2	F12 Y14 C30 F34 M46 F71 A72 C74	F12-F32 HydrophobicContact CB-CD1 3.72Å; F12-F32 HydrophobicContact CB-CE1 4.02Å; F12-F32 AromaticContact CD1-CD1 3.55Å; F12-F32 HydrophobicContact CD1-CD1 3.55Å; F12-F32 HydrophobicContact CD1-CE1 4.1Å; F12-F32 HydrophobicContact CD2-CD1 4.46Å; F12-F32 HydrophobicContact CD2-CE1 4.25Å; F12-F32 HydrophobicContact CE1-CD1 4.33Å; F12-F32 AromaticContact CG-CD1 3.63Å; F12-F32 HydrophobicContact CG-CD1 3.63Å; F12-F32 AromaticContact CG-CE1 3.84Å; F12-F32 HydrophobicContact CG-CE1 3.84Å; Y14-F32 HydrophobicContact CD1-CD1 4.24Å; Y14-F32 AromaticContact CD1-CE1 3.87Å; Y14-F32 HydrophobicContact CD1-CE1 3.87Å; Y14-F32 HydrophobicContact CD1-CZ 4.08Å; Y14-F32 AromaticContact CE1-CD1 3.75Å; Y14-F32 HydrophobicContact CE1-CD1 3.75Å; Y14-F32 AromaticContact CE1-CE1 3Å; Y14-F32 HydrophobicContact CE1-CE1 3Å; Y14-F32 HydrophobicContact CE1-CE2 4.24Å; Y14-F32 AromaticContact CE1-CZ 3.27Å; Y14-F32 HydrophobicContact CE1-CZ 3.27Å; Y14-F32 AromaticContact CZ-CE1 3.39Å; Y14-F32 WeakPolarHBondContact OH-CE1 3.41Å; C30-F32 HydrophobicContact CB-CD2 4.15Å; C30-F32 HydrophobicContact CB-CE2 3.4Å; C30-F32 HydrophobicContact CB-CZ 3.77Å; F32-F34 HydrophobicContact CB-CD2 4.2Å; F32-F34 HydrophobicContact CB-CE1 3.93Å; F32-F34 HydrophobicContact CB-CE2 3.17Å; F32-F34 HydrophobicContact CB-CZ 2.99Å; F32-F34 AromaticContact CD1-CZ 3.93Å; F32-F34 HydrophobicContact CD1-CZ 3.93Å; F32-F34 HydrophobicContact CD2-CZ 4.2Å; F32-F34 HydrophobicContact CG-CE1 4.5Å; F32-F34 HydrophobicContact CG-CE2 4.05Å; F32-F34 AromaticContact CG-CZ 3.54Å; F32-F34 HydrophobicContact CG-CZ 3.54Å; F32-F34 WeakPolarHBondContact O-CE2 3.48Å; F32-M46 HydrophobicContact CE1-SD 3.84Å; F32-M46 HydrophobicContact CE2-CE 4.28Å; F32-M46 HydrophobicContact CE2-SD 4.15Å; F32-M46 HydrophobicContact CZ-CE 3.71Å; F32-M46 HydrophobicContact CZ-CG 4.17Å; F32-M46 HydrophobicContact CZ-SD 3.3Å; F32-M46 WeakPolarHBondContact CZ-SD 3.37Å; F32-F71 CarbonylContact O-C 3.55Å; F32-F71 WeakPolarHBondContact O-CA 3.44Å; F32-F71 VanDerWaalsContact O-CB 3.3Å; F32-F71 WeakPolarHBondContact O-CB 3.22Å; F32-A72 PolarHBondContact N-O 3.47Å; F32-A72 PolarHBondContact O-N 3.09Å; F32-C74 HydrophobicContact CE2-CB 3.82Å
33	D	57.2	Low	55.3	Low	95 Å²	95	72.3 Å²	72.3	51%	0.508	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.5	170.3	-155.8	-10.8	0	0	0	110	S70	D33-S70 WeakPolarHBondContact OD1-CB 3.27Å
34	F	55.7	Low	55.9	Low	19 Å²	19	70.2 Å²	70.2	8%	0.083	34%	0.341	C	S	.	.			trans	-128.3	82.8	178	-52.1	-78	0	0	0	108.2	F12 F32 E36 I37 L42 S70 A72	F12-F34 AromaticContact CD1-CE1 3.96Å; F12-F34 HydrophobicContact CD1-CE1 3.96Å; F12-F34 HydrophobicContact CE1-CD1 4.41Å; F12-F34 AromaticContact CE1-CE1 3.56Å; F12-F34 HydrophobicContact CE1-CE1 3.56Å; F12-F34 HydrophobicContact CE1-CZ 4.38Å; F32-F34 HydrophobicContact CB-CD2 4.2Å; F32-F34 HydrophobicContact CB-CE1 3.93Å; F32-F34 HydrophobicContact CB-CE2 3.17Å; F32-F34 HydrophobicContact CB-CZ 2.99Å; F32-F34 AromaticContact CD1-CZ 3.93Å; F32-F34 HydrophobicContact CD1-CZ 3.93Å; F32-F34 HydrophobicContact CD2-CZ 4.2Å; F32-F34 HydrophobicContact CG-CE1 4.5Å; F32-F34 HydrophobicContact CG-CE2 4.05Å; F32-F34 AromaticContact CG-CZ 3.54Å; F32-F34 HydrophobicContact CG-CZ 3.54Å; F32-F34 WeakPolarHBondContact O-CE2 3.48Å; F34-E36 PolarHBondContact O-N 3.24Å; F34-I37 HydrophobicContact CB-CB 4.22Å; F34-I37 HydrophobicContact CD1-CB 3.87Å; F34-I37 HydrophobicContact CD1-CD1 4.14Å; F34-I37 HydrophobicContact CD1-CG1 4.32Å; F34-I37 HydrophobicContact CG-CB 4.38Å; F34-L42 HydrophobicContact CD2-CD2 3.93Å; F34-L42 HydrophobicContact CE1-CB 4.19Å; F34-L42 HydrophobicContact CE1-CD1 3.35Å; F34-L42 HydrophobicContact CE1-CD2 3.86Å; F34-L42 HydrophobicContact CE1-CG 3.91Å; F34-L42 HydrophobicContact CE2-CD1 4.15Å; F34-L42 HydrophobicContact CE2-CD2 3.03Å; F34-L42 HydrophobicContact CE2-CG 4Å; F34-L42 HydrophobicContact CZ-CB 4.12Å; F34-L42 HydrophobicContact CZ-CD1 3.11Å; F34-L42 HydrophobicContact CZ-CD2 2.98Å; F34-L42 HydrophobicContact CZ-CG 3.43Å; F34-L42 VanDerWaalsContact CZ-CG 3.43Å; F34-S70 CarbonylContact C-O 3.41Å; F34-S70 WeakPolarHBondContact CA-O 3.42Å; F34-S70 WeakPolarHBondContact CB-O 3.35Å; F34-S70 WeakPolarHBondContact CD2-O 3.36Å; F34-S70 PolarHBondContact N-O 3.09Å; F34-S70 WeakPolarHBondContact O-CB 3.34Å; F34-A72 HydrophobicContact CD2-CB 3.97Å; F34-A72 HydrophobicContact CE2-CB 3.48Å; F34-A72 VanDerWaalsContact CE2-CB 3.48Å
35	E	54.6	Low	56.2	Low	164 Å²	164	64 Å²	64	77%	0.766	32%	0.319	S	S	*	.	S	Bend	trans	-62.8	-20.5	171.2	-67.6	-166.7	145.9	0	0	111.6
36	E	52.3	Low	56.5	Low	180 Å²	180	60.1 Å²	60.1	84%	0.841	30%	0.301	S	S	*	.	S	Bend	trans	-141.3	-2.7	-171.2	-60.6	-172.5	162.7	0	0	116.9	F34	F34-E36 PolarHBondContact O-N 3.24Å
37	I	55.2	Low	56.9	Low	52 Å²	52	62.4 Å²	62.4	27%	0.267	31%	0.313	S	S	.	.			trans	-98.6	123.8	-176.7	-57	-177.9	0	0	0	110.9	Y10 F34 F39 Y41	Y10-I37 HydrophobicContact CD1-CD1 4.49Å; F34-I37 HydrophobicContact CB-CB 4.22Å; F34-I37 HydrophobicContact CD1-CB 3.87Å; F34-I37 HydrophobicContact CD1-CD1 4.14Å; F34-I37 HydrophobicContact CD1-CG1 4.32Å; F34-I37 HydrophobicContact CG-CB 4.38Å; I37-F39 PolarHBondContact O-N 2.57Å; I37-Y41 HydrophobicContact CG2-CD1 3.82Å; I37-Y41 HydrophobicContact CG2-CG 4.42Å
38	P	55.7	Low	57.1	Low	92 Å²	92	65.7 Å²	65.7	60%	0.597	33%	0.328	S	S	*	.			trans	-56.5	129.3	172.4	-24.8	34	0	0	0	111.4	L40 Y41 L42	P38-L40 PolarHBondContact O-N 3Å; P38-Y41 WeakPolarHBondContact O-CA 2.94Å; P38-Y41 WeakPolarHBondContact O-CB 3.5Å; P38-Y41 PolarHBondContact O-N 2.7Å; P38-L42 PolarHBondContact O-N 2.68Å
39	F	55.8	Low	57	Low	78 Å²	78	66.1 Å²	66.1	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-48.6	-35.8	-178.5	173.2	-94.3	0	0	0	114.7	I37 Y41 L42 T43 I63 A72	I37-F39 PolarHBondContact O-N 2.57Å; F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 PolarHBondContact O-N 3.46Å; F39-L42 PolarHBondContact O-N 3.01Å; F39-T43 PolarHBondContact O-N 2.85Å; F39-T43 VanDerWaalsContact O-N 3.08Å; F39-T43 PolarHBondContact O-OG1 3.23Å; F39-I63 HydrophobicContact CD2-CG2 4.28Å; F39-I63 HydrophobicContact CE2-CB 3.52Å; F39-I63 HydrophobicContact CE2-CG2 3.43Å; F39-I63 VanDerWaalsContact CE2-CG2 3.43Å; F39-I63 HydrophobicContact CZ-CB 3.66Å; F39-I63 HydrophobicContact CZ-CG2 4.11Å; F39-I63 VanDerWaalsContact CZ-O 3.3Å; F39-I63 WeakPolarHBondContact CZ-O 3.23Å; F39-A72 HydrophobicContact CD2-CB 4.19Å; F39-A72 HydrophobicContact CE2-CB 4.26Å
40	L	54.3	Low	56.9	Low	129 Å²	129	65.8 Å²	65.8	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-42.3	176.6	-177.9	63.6	0	0	0	111.3	P38 T43 I44	P38-L40 PolarHBondContact O-N 3Å; L40-T43 PolarHBondContact O-N 3.02Å; L40-I44 HydrophobicContact CG-CD1 4.37Å; L40-I44 WeakPolarHBondContact O-CG1 3.26Å; L40-I44 PolarHBondContact O-N 2.8Å
41	Y	57.4	Low	56.7	Low	114 Å²	114	70.2 Å²	70.2	45%	0.447	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-41.1	-178	-166	-112.6	0	0	0	111.7	I37 P38 F39 T43 I44 I45	I37-Y41 HydrophobicContact CG2-CD1 3.82Å; I37-Y41 HydrophobicContact CG2-CG 4.42Å; P38-Y41 WeakPolarHBondContact O-CA 2.94Å; P38-Y41 WeakPolarHBondContact O-CB 3.5Å; P38-Y41 PolarHBondContact O-N 2.7Å; F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 PolarHBondContact O-N 3.46Å; Y41-T43 VanDerWaalsContact C-N 3.32Å; Y41-T43 PolarHBondContact O-N 3.16Å; Y41-I44 WeakPolarHBondContact O-CB 3.33Å; Y41-I44 PolarHBondContact O-N 3.43Å; Y41-I45 HydrophobicContact CD1-CD1 3.51Å; Y41-I45 HydrophobicContact CD1-CG1 4.28Å; Y41-I45 HydrophobicContact CE1-CD1 3.33Å; Y41-I45 HydrophobicContact CE1-CG1 4.07Å; Y41-I45 HydrophobicContact CG-CD1 4.42Å; Y41-I45 PolarHBondContact O-N 3.42Å
42	L	55.9	Low	56.7	Low	1 Å²	1	73.6 Å²	73.6	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-57.4	-46.7	172.1	172.8	65.4	0	0	0	112.1	F12 F34 P38 F39 I44 I45 M46 I63 A72	F12-L42 HydrophobicContact CE1-CD1 4.4Å; F34-L42 HydrophobicContact CD2-CD2 3.93Å; F34-L42 HydrophobicContact CE1-CB 4.19Å; F34-L42 HydrophobicContact CE1-CD1 3.35Å; F34-L42 HydrophobicContact CE1-CD2 3.86Å; F34-L42 HydrophobicContact CE1-CG 3.91Å; F34-L42 HydrophobicContact CE2-CD1 4.15Å; F34-L42 HydrophobicContact CE2-CD2 3.03Å; F34-L42 HydrophobicContact CE2-CG 4Å; F34-L42 HydrophobicContact CZ-CB 4.12Å; F34-L42 HydrophobicContact CZ-CD1 3.11Å; F34-L42 HydrophobicContact CZ-CD2 2.98Å; F34-L42 HydrophobicContact CZ-CG 3.43Å; F34-L42 VanDerWaalsContact CZ-CG 3.43Å; P38-L42 PolarHBondContact O-N 2.68Å; F39-L42 PolarHBondContact O-N 3.01Å; L42-I44 PolarHBondContact O-N 3.31Å; L42-I45 PolarHBondContact O-N 2.98Å; L42-M46 HydrophobicContact CD1-CG 3.73Å; L42-M46 HydrophobicContact CG-CG 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.35Å; L42-M46 WeakPolarHBondContact O-CG 3.14Å; L42-M46 PolarHBondContact O-N 3.08Å; L42-I63 HydrophobicContact CD2-CD1 3.59Å; L42-I63 HydrophobicContact CD2-CG2 4.16Å; L42-I63 HydrophobicContact CG-CD1 3.74Å; L42-A72 HydrophobicContact CD2-CB 3.47Å; L42-A72 VanDerWaalsContact CD2-CB 3.47Å
43	T	57	Low	56.4	Low	39 Å²	39	77.4 Å²	77.4	24%	0.239	38%	0.383	C	S	.	.	H	α-helix	trans	-58.9	-38.4	-179.2	-58.4	0	0	0	0	110.5	F39 L40 Y41 N47 F60	F39-T43 PolarHBondContact O-N 2.85Å; F39-T43 VanDerWaalsContact O-N 3.08Å; F39-T43 PolarHBondContact O-OG1 3.23Å; L40-T43 PolarHBondContact O-N 3.02Å; Y41-T43 VanDerWaalsContact C-N 3.32Å; Y41-T43 PolarHBondContact O-N 3.16Å; T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 2.75Å; T43-F60 HydrophobicContact CG2-CE1 4.28Å
44	I	60.6	Low	55.8	Low	74 Å²	74	77.6 Å²	77.6	38%	0.379	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-54	175.6	-65.1	165	0	0	0	110.7	L40 Y41 L42 M46 N47 E48	L40-I44 HydrophobicContact CG-CD1 4.37Å; L40-I44 WeakPolarHBondContact O-CG1 3.26Å; L40-I44 PolarHBondContact O-N 2.8Å; Y41-I44 WeakPolarHBondContact O-CB 3.33Å; Y41-I44 PolarHBondContact O-N 3.43Å; L42-I44 PolarHBondContact O-N 3.31Å; I44-M46 VanDerWaalsContact C-N 3.32Å; I44-M46 PolarHBondContact O-N 2.88Å; I44-N47 PolarHBondContact O-N 2.73Å; I44-N47 VanDerWaalsContact O-N 3.08Å; I44-E48 HydrophobicContact CG2-CG 4.37Å; I44-E48 PolarHBondContact O-N 3.27Å
45	I	60.7	Low	55.5	Low	20 Å²	20	81.3 Å²	81.3	10%	0.103	41%	0.409	C	S	.	.	H	α-helix	trans	-55.5	-49.3	179.9	-68	165.1	0	0	0	110.5	Y41 L42 N47 E48 E49	Y41-I45 HydrophobicContact CD1-CD1 3.51Å; Y41-I45 HydrophobicContact CD1-CG1 4.28Å; Y41-I45 HydrophobicContact CE1-CD1 3.33Å; Y41-I45 HydrophobicContact CE1-CG1 4.07Å; Y41-I45 HydrophobicContact CG-CD1 4.42Å; Y41-I45 PolarHBondContact O-N 3.42Å; L42-I45 PolarHBondContact O-N 2.98Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.59Å; I45-E48 PolarHBondContact O-N 3.02Å; I45-E49 HydrophobicContact CG2-CG 4.26Å; I45-E49 WeakPolarHBondContact O-CG 3.45Å; I45-E49 PolarHBondContact O-N 3.39Å
46	M	59.3	Low	55.2	Low	6 Å²	6	78.2 Å²	78.2	3%	0.03	40%	0.403	C	S	.	.	H	α-helix	trans	-61.2	-41.7	179.3	-76.7	-59.2	-59	0	0	111.5	F32 L42 I44 M50 F60 I63 C74 M76	F32-M46 HydrophobicContact CE1-SD 3.84Å; F32-M46 HydrophobicContact CE2-CE 4.28Å; F32-M46 HydrophobicContact CE2-SD 4.15Å; F32-M46 HydrophobicContact CZ-CE 3.71Å; F32-M46 HydrophobicContact CZ-CG 4.17Å; F32-M46 HydrophobicContact CZ-SD 3.3Å; F32-M46 WeakPolarHBondContact CZ-SD 3.37Å; L42-M46 HydrophobicContact CD1-CG 3.73Å; L42-M46 HydrophobicContact CG-CG 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.35Å; L42-M46 WeakPolarHBondContact O-CG 3.14Å; L42-M46 PolarHBondContact O-N 3.08Å; I44-M46 VanDerWaalsContact C-N 3.32Å; I44-M46 PolarHBondContact O-N 2.88Å; M46-M50 HydrophobicContact CE-CE 3.91Å; M46-M50 WeakPolarHBondContact O-CB 3.21Å; M46-M50 WeakPolarHBondContact O-CG 3.43Å; M46-M50 PolarHBondContact O-N 3.23Å; M46-F60 HydrophobicContact CB-CE2 3.77Å; M46-F60 HydrophobicContact CB-CZ 4.12Å; M46-F60 HydrophobicContact CE-CE2 4.41Å; M46-I63 HydrophobicContact CB-CD1 4.41Å; M46-I63 HydrophobicContact CG-CD1 4.3Å; M46-C74 HydrophobicContact CE-CB 4.37Å; M46-M76 HydrophobicContact CE-SD 4.29Å
47	N	58.6	Low	54.9	Low	71 Å²	71	70 Å²	70	38%	0.38	37%	0.366	S	S	.	.	H	α-helix	trans	-66.6	-40.3	177.4	-167.3	48.8	0	0	0	111.9	T43 I44 I45 M50 N51	T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 2.75Å; I44-N47 PolarHBondContact O-N 2.73Å; I44-N47 VanDerWaalsContact O-N 3.08Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.59Å; N47-M50 PolarHBondContact O-N 3.47Å; N47-N51 VanDerWaalsContact O-CB 3.27Å; N47-N51 WeakPolarHBondContact O-CB 3.3Å; N47-N51 PolarHBondContact O-N 2.83Å; N47-N51 PolarHBondContact O-ND2 3.05Å; N47-N51 VanDerWaalsContact O-ND2 3.09Å
48	E	60.9	Low	54.6	Low	111 Å²	111	69 Å²	69	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-48.9	176	-74.3	-174.5	173.7	0	0	112.2	I44 I45 M50 N51 K52	I44-E48 HydrophobicContact CG2-CG 4.37Å; I44-E48 PolarHBondContact O-N 3.27Å; I45-E48 PolarHBondContact O-N 3.02Å; E48-M50 VanDerWaalsContact C-N 3.3Å; E48-M50 PolarHBondContact O-N 2.87Å; E48-N51 PolarHBondContact O-N 3.09Å; E48-N51 VanDerWaalsContact O-N 3.16Å; E48-K52 WeakPolarHBondContact O-CG 3.37Å; E48-K52 PolarHBondContact O-N 2.93Å
49	E	56.7	Low	54.4	Low	44 Å²	44	71.7 Å²	71.7	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-39.1	176.2	-68.9	-56.8	130.9	0	0	111.4	I45 K52 L53	I45-E49 HydrophobicContact CG2-CG 4.26Å; I45-E49 WeakPolarHBondContact O-CG 3.45Å; I45-E49 PolarHBondContact O-N 3.39Å; E49-K52 WeakPolarHBondContact O-CB 3.48Å; E49-K52 PolarHBondContact O-N 3.03Å; E49-K52 IonicContact OE1-NZ 2.68Å; E49-K52 PolarHBondContact OE1-NZ 2.77Å; E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 2.91Å
50	M	53.5	Low	54.3	Low	28 Å²	28	69.7 Å²	69.7	14%	0.138	36%	0.355	C	S	.	.	H	α-helix	trans	-68.2	-35.9	174	-69.9	-56.7	124.2	0	0	113	M46 N47 E48 K52 L53 S54 V58 F60 M76	M46-M50 HydrophobicContact CE-CE 3.91Å; M46-M50 WeakPolarHBondContact O-CB 3.21Å; M46-M50 WeakPolarHBondContact O-CG 3.43Å; M46-M50 PolarHBondContact O-N 3.23Å; N47-M50 PolarHBondContact O-N 3.47Å; E48-M50 VanDerWaalsContact C-N 3.3Å; E48-M50 PolarHBondContact O-N 2.87Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-L53 HydrophobicContact CE-CD1 3.66Å; M50-L53 WeakPolarHBondContact O-CB 3.19Å; M50-L53 PolarHBondContact O-N 2.8Å; M50-L53 HydrophobicContact SD-CD1 3.65Å; M50-S54 PolarHBondContact O-N 2.92Å; M50-V58 HydrophobicContact SD-CG1 3.91Å; M50-F60 HydrophobicContact CG-CD2 4.37Å; M50-M76 HydrophobicContact CE-CE 4.33Å; M50-M76 HydrophobicContact CE-SD 3.36Å; M50-M76 WeakPolarHBondContact CE-SD 3.36Å; M50-M76 HydrophobicContact CG-SD 4.07Å; M50-M76 HydrophobicContact SD-CG 4.31Å; M50-M76 HydrophobicContact SD-SD 3.15Å
51	N	54.5	Low	54.3	Low	101 Å²	101	69.7 Å²	69.7	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-36.8	173.7	-75	-28.8	0	0	0	110.9	N47 E48 L53 S54	N47-N51 VanDerWaalsContact O-CB 3.27Å; N47-N51 WeakPolarHBondContact O-CB 3.3Å; N47-N51 PolarHBondContact O-N 2.83Å; N47-N51 PolarHBondContact O-ND2 3.05Å; N47-N51 VanDerWaalsContact O-ND2 3.09Å; E48-N51 PolarHBondContact O-N 3.09Å; E48-N51 VanDerWaalsContact O-N 3.16Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 2.83Å; N51-S54 VanDerWaalsContact O-CA 3.31Å; N51-S54 WeakPolarHBondContact O-CA 3.41Å; N51-S54 WeakPolarHBondContact O-CB 3.48Å; N51-S54 PolarHBondContact O-N 3.22Å
52	K	54.9	Low	54.1	Low	127 Å²	127	71.4 Å²	71.4	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-61.4	-39.3	171.3	-70.2	174.3	-171.2	171.8	0	111.3	E48 E49 M50 S54	E48-K52 WeakPolarHBondContact O-CG 3.37Å; E48-K52 PolarHBondContact O-N 2.93Å; E49-K52 WeakPolarHBondContact O-CB 3.48Å; E49-K52 PolarHBondContact O-N 3.03Å; E49-K52 IonicContact OE1-NZ 2.68Å; E49-K52 PolarHBondContact OE1-NZ 2.77Å; M50-K52 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.39Å; K52-S54 PolarHBondContact O-OG 3.27Å
53	L	53.5	Low	54.1	Low	81 Å²	81	71.9 Å²	71.9	42%	0.424	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.2	175.1	-72.1	175.4	0	0	0	113.1	E49 M50 N51 H55	E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 2.91Å; M50-L53 HydrophobicContact CE-CD1 3.66Å; M50-L53 WeakPolarHBondContact O-CB 3.19Å; M50-L53 PolarHBondContact O-N 2.8Å; M50-L53 HydrophobicContact SD-CD1 3.65Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 2.83Å; L53-H55 PolarHBondContact O-N 3.08Å
54	S	44.6	Very low	54.1	Low	98 Å²	98	76.7 Å²	76.7	69%	0.685	37%	0.373	S	S	*	.			trans	34.7	17.1	162.3	49.9	0	0	0	0	118	M50 N51 K52 P56	M50-S54 PolarHBondContact O-N 2.92Å; N51-S54 VanDerWaalsContact O-CA 3.31Å; N51-S54 WeakPolarHBondContact O-CA 3.41Å; N51-S54 WeakPolarHBondContact O-CB 3.48Å; N51-S54 PolarHBondContact O-N 3.22Å; K52-S54 PolarHBondContact O-N 3.39Å; K52-S54 PolarHBondContact O-OG 3.27Å; S54-P56 WeakPolarHBondContact O-CD 3.15Å
55	H	49.3	Very low	53.9	Low	98 Å²	98	76 Å²	76	45%	0.454	37%	0.374	S	S	.	.			trans	-83.9	121.2	171.4	-103.1	-65.4	0	0	0	105.4	L53 A57 V58	L53-H55 PolarHBondContact O-N 3.08Å; H55-A57 PolarHBondContact O-N 3.35Å; H55-V58 HydrophobicContact CB-CG2 4.29Å; H55-V58 PolarHBondContact O-N 3.26Å
56	P	47.8	Very low	53.6	Low	98 Å²	98	78 Å²	78	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	11.9	-179.2	27.2	-35.4	0	0	0	113.5	S54 K82	S54-P56 WeakPolarHBondContact O-CD 3.15Å; P56-K82 HydrophobicContact CB-CD 4.31Å; P56-K82 HydrophobicContact CG-CD 4.16Å; P56-K82 PolarHBondContact O-NZ 2.86Å
57	A	47.2	Very low	53.3	Low	7 Å²	7	88.3 Å²	88.3	6%	0.058	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-29.7	175	0	0	0	0	0	112.4	H55 I78 H79 K82	H55-A57 PolarHBondContact O-N 3.35Å; A57-I78 HydrophobicContact CB-CG2 3.84Å; A57-I78 VanDerWaalsContact O-CA 3.24Å; A57-I78 WeakPolarHBondContact O-CA 3.3Å; A57-H79 HydrophobicContact CB-CB 4.46Å; A57-H79 PolarHBondContact O-N 3.41Å; A57-H79 VanDerWaalsContact O-N 3.08Å; A57-K82 HydrophobicContact CB-CB 3.96Å
58	V	48.5	Very low	53.1	Low	32 Å²	32	96.7 Å²	96.7	19%	0.194	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.4	-173.3	-169.2	0	0	0	0	108.9	M50 H55 M76 S77 I78	M50-V58 HydrophobicContact SD-CG1 3.91Å; H55-V58 HydrophobicContact CB-CG2 4.29Å; H55-V58 PolarHBondContact O-N 3.26Å; V58-M76 HydrophobicContact CG1-CB 4.4Å; V58-S77 WeakPolarHBondContact CA-O 3.4Å; V58-I78 HydrophobicContact CB-CG1 4.5Å; V58-I78 HydrophobicContact CG1-CG1 4.35Å; V58-I78 HydrophobicContact CG2-CD1 3.97Å; V58-I78 HydrophobicContact CG2-CG1 3.91Å; V58-I78 HydrophobicContact CG2-CG2 4.22Å
59	K	51.6	Low	52.6	Low	149 Å²	149	92.4 Å²	92.4	65%	0.648	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.3	172.7	-170.7	172.5	-178.2	175.5	0	109.1	S77	K59-S77 PolarHBondContact N-O 3.35Å; K59-S77 PolarHBondContact O-N 3.01Å
60	F	53.5	Low	52.5	Low	35 Å²	35	93 Å²	93	15%	0.154	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.9	167.6	-176.1	-94.4	0	0	0	109.3	T43 M46 M50 I63 C74 M76	T43-F60 HydrophobicContact CG2-CE1 4.28Å; M46-F60 HydrophobicContact CB-CE2 3.77Å; M46-F60 HydrophobicContact CB-CZ 4.12Å; M46-F60 HydrophobicContact CE-CE2 4.41Å; M50-F60 HydrophobicContact CG-CD2 4.37Å; F60-I63 HydrophobicContact CE1-CG1 3.97Å; F60-I63 HydrophobicContact CE2-CD1 4.23Å; F60-I63 HydrophobicContact CE2-CG1 3.95Å; F60-I63 HydrophobicContact CZ-CD1 3.61Å; F60-I63 HydrophobicContact CZ-CG1 3.17Å; F60-C74 WeakPolarHBondContact CD2-SG 3.32Å; F60-C74 HydrophobicContact CE2-CB 4.09Å; F60-C74 WeakPolarHBondContact CE2-SG 3.48Å; F60-M76 HydrophobicContact CD2-CG 4.44Å
61	K	54.4	Low	52.6	Low	129 Å²	129	96 Å²	96	56%	0.561	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	-46.4	-175.1	-73.1	-166.6	-177	177.2	0	113.6	H75 S77	K61-H75 PolarHBondContact N-O 3.4Å; K61-H75 VanDerWaalsContact N-O 3.08Å; K61-S77 WeakPolarHBondContact CE-OG 3.28Å
62	R	53	Low	52.7	Low	151 Å²	151	91.2 Å²	91.2	57%	0.57	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-174	151.3	-174.9	-164.1	161.1	-78.2	178	-6.5	110.8	Y64 H75	R62-Y64 HydrophobicContact CB-CE2 4.14Å; R62-Y64 HydrophobicContact CG-CD2 4.49Å; R62-Y64 HydrophobicContact CG-CE1 4.37Å; R62-Y64 HydrophobicContact CG-CE2 4.11Å; R62-H75 PolarHBondContact O-N 3.24Å
63	I	55.9	Low	52.9	Low	11 Å²	11	87.7 Å²	87.7	6%	0.056	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	158.3	-43	-168.8	0	0	0	109.1	F39 L42 M46 F60 A72 I73	F39-I63 HydrophobicContact CD2-CG2 4.28Å; F39-I63 HydrophobicContact CE2-CB 3.52Å; F39-I63 HydrophobicContact CE2-CG2 3.43Å; F39-I63 VanDerWaalsContact CE2-CG2 3.43Å; F39-I63 HydrophobicContact CZ-CB 3.66Å; F39-I63 HydrophobicContact CZ-CG2 4.11Å; F39-I63 VanDerWaalsContact CZ-O 3.3Å; F39-I63 WeakPolarHBondContact CZ-O 3.23Å; L42-I63 HydrophobicContact CD2-CD1 3.59Å; L42-I63 HydrophobicContact CD2-CG2 4.16Å; L42-I63 HydrophobicContact CG-CD1 3.74Å; M46-I63 HydrophobicContact CB-CD1 4.41Å; M46-I63 HydrophobicContact CG-CD1 4.3Å; F60-I63 HydrophobicContact CE1-CG1 3.97Å; F60-I63 HydrophobicContact CE2-CD1 4.23Å; F60-I63 HydrophobicContact CE2-CG1 3.95Å; F60-I63 HydrophobicContact CZ-CD1 3.61Å; F60-I63 HydrophobicContact CZ-CG1 3.17Å; I63-A72 HydrophobicContact CG2-CB 3.22Å; I63-I73 VanDerWaalsContact CA-O 3.22Å; I63-I73 WeakPolarHBondContact CA-O 3.22Å
64	Y	57.1	Low	53	Low	140 Å²	140	83.9 Å²	83.9	55%	0.549	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.1	169	-60.5	-90.2	0	0	0	109.4	R62 A72 I73	R62-Y64 HydrophobicContact CB-CE2 4.14Å; R62-Y64 HydrophobicContact CG-CD2 4.49Å; R62-Y64 HydrophobicContact CG-CE1 4.37Å; R62-Y64 HydrophobicContact CG-CE2 4.11Å; Y64-A72 VanDerWaalsContact O-CA 3.28Å; Y64-A72 WeakPolarHBondContact O-CA 3.44Å; Y64-I73 PolarHBondContact N-O 2.78Å; Y64-I73 PolarHBondContact O-N 3.02Å; Y64-I73 VanDerWaalsContact O-N 3.11Å
65	S	55.9	Low	53.6	Low	58 Å²	58	81.3 Å²	81.3	41%	0.406	38%	0.383	S	S	.	.			trans	-135.6	133.4	167.7	168.3	0	0	0	0	108
66	S	54	Low	54	Low	62 Å²	62	77.3 Å²	77.3	43%	0.434	37%	0.365	S	S	.	.			trans	-90.6	149.3	167.7	89.2	0	0	0	0	109.1	R68 S69	S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 PolarHBondContact OG-N 3.3Å; S66-S69 WeakPolarHBondContact CB-OG 3.01Å; S66-S69 PolarHBondContact N-OG 3.18Å; S66-S69 VanDerWaalsContact N-OG 3.16Å; S66-S69 PolarHBondContact O-N 2.98Å; S66-S69 PolarHBondContact O-OG 3.18Å; S66-S69 WeakPolarHBondContact OG-CB 3.3Å; S66-S69 PolarHBondContact OG-N 3.08Å; S66-S69 PolarHBondContact OG-OG 2.69Å
67	K	54.1	Low	54.5	Low	224 Å²	224	73.4 Å²	73.4	97%	0.974	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.6	174.9	-73.3	-172.3	177.8	-176.5	0	113.9
68	R	54.2	Low	55.1	Low	247 Å²	247	74.1 Å²	74.1	93%	0.932	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-2	-176.4	-65.7	-171.3	-177.6	-175.4	1.1	113.9	S66	S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 PolarHBondContact OG-N 3.3Å
69	S	50.7	Low	55.4	Low	20 Å²	20	75.2 Å²	75.2	14%	0.14	35%	0.345	C	S	.	.			trans	-125.6	118.1	-173.4	56.9	0	0	0	0	109.8	S66 F71	S66-S69 WeakPolarHBondContact CB-OG 3.01Å; S66-S69 PolarHBondContact N-OG 3.18Å; S66-S69 VanDerWaalsContact N-OG 3.16Å; S66-S69 PolarHBondContact O-N 2.98Å; S66-S69 PolarHBondContact O-OG 3.18Å; S66-S69 WeakPolarHBondContact OG-CB 3.3Å; S66-S69 PolarHBondContact OG-N 3.08Å; S66-S69 PolarHBondContact OG-OG 2.69Å; S69-F71 PolarHBondContact O-N 2.86Å; S69-F71 VanDerWaalsContact O-N 3.12Å
70	S	55.1	Low	55.5	Low	58 Å²	58	70 Å²	70	41%	0.406	33%	0.325	S	S	.	.	S	Bend	trans	-63.5	-8.6	172	-57.4	0	0	0	0	112.6	D33 F34	D33-S70 WeakPolarHBondContact OD1-CB 3.27Å; F34-S70 CarbonylContact C-O 3.41Å; F34-S70 WeakPolarHBondContact CA-O 3.42Å; F34-S70 WeakPolarHBondContact CB-O 3.35Å; F34-S70 WeakPolarHBondContact CD2-O 3.36Å; F34-S70 PolarHBondContact N-O 3.09Å; F34-S70 WeakPolarHBondContact O-CB 3.34Å
71	F	54.2	Low	55.6	Low	90 Å²	90	76 Å²	76	40%	0.395	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	152.6	177.4	72.8	-97.3	0	0	0	114.1	I31 F32 S69 I73	I31-F71 HydrophobicContact CG2-CB 3.98Å; I31-F71 HydrophobicContact CG2-CD2 4.03Å; I31-F71 HydrophobicContact CG2-CG 4.22Å; F32-F71 CarbonylContact O-C 3.55Å; F32-F71 WeakPolarHBondContact O-CA 3.44Å; F32-F71 VanDerWaalsContact O-CB 3.3Å; F32-F71 WeakPolarHBondContact O-CB 3.22Å; S69-F71 PolarHBondContact O-N 2.86Å; S69-F71 VanDerWaalsContact O-N 3.12Å; F71-I73 HydrophobicContact CD2-CD1 4.39Å; F71-I73 HydrophobicContact CD2-CG1 3.92Å; F71-I73 HydrophobicContact CE2-CD1 3.86Å; F71-I73 HydrophobicContact CE2-CG1 3.89Å
72	A	57.6	Low	55.3	Low	1 Å²	1	75.5 Å²	75.5	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.5	168.1	0	0	0	0	0	111.6	I31 F32 F34 F39 L42 I63 Y64	I31-A72 WeakPolarHBondContact CA-O 3.05Å; F32-A72 PolarHBondContact N-O 3.47Å; F32-A72 PolarHBondContact O-N 3.09Å; F34-A72 HydrophobicContact CD2-CB 3.97Å; F34-A72 HydrophobicContact CE2-CB 3.48Å; F34-A72 VanDerWaalsContact CE2-CB 3.48Å; F39-A72 HydrophobicContact CD2-CB 4.19Å; F39-A72 HydrophobicContact CE2-CB 4.26Å; L42-A72 HydrophobicContact CD2-CB 3.47Å; L42-A72 VanDerWaalsContact CD2-CB 3.47Å; I63-A72 HydrophobicContact CG2-CB 3.22Å; Y64-A72 VanDerWaalsContact O-CA 3.28Å; Y64-A72 WeakPolarHBondContact O-CA 3.44Å
73	I	58.1	Low	54.8	Low	53 Å²	53	70.9 Å²	70.9	27%	0.272	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.3	-177.2	-54.8	177.8	0	0	0	109.7	I29 C30 I31 I63 Y64 F71	I29-I73 HydrophobicContact CG2-CG2 3.49Å; I29-I73 VanDerWaalsContact CG2-CG2 3.49Å; C30-I73 CarbonylContact O-C 3.53Å; C30-I73 WeakPolarHBondContact O-CA 3.36Å; I31-I73 HydrophobicContact CG1-CG1 4.26Å; I63-I73 VanDerWaalsContact CA-O 3.22Å; I63-I73 WeakPolarHBondContact CA-O 3.22Å; Y64-I73 PolarHBondContact N-O 2.78Å; Y64-I73 PolarHBondContact O-N 3.02Å; Y64-I73 VanDerWaalsContact O-N 3.11Å; F71-I73 HydrophobicContact CD2-CD1 4.39Å; F71-I73 HydrophobicContact CD2-CG1 3.92Å; F71-I73 HydrophobicContact CE2-CD1 3.86Å; F71-I73 HydrophobicContact CE2-CG1 3.89Å
74	C	57	Low	54.2	Low	0 Å²	0	80 Å²	80	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.6	170.5	170.5	0	0	0	0	110.7	I29 C30 F32 M46 F60 M76	I29-C74 CarbonylContact C-O 3.56Å; I29-C74 VanDerWaalsContact CA-O 3.26Å; I29-C74 WeakPolarHBondContact CA-O 3.35Å; C30-C74 HydrophobicContact CB-CB 4.17Å; C30-C74 PolarHBondContact N-O 2.8Å; C30-C74 PolarHBondContact O-N 3.15Å; F32-C74 HydrophobicContact CE2-CB 3.82Å; M46-C74 HydrophobicContact CE-CB 4.37Å; F60-C74 WeakPolarHBondContact CD2-SG 3.32Å; F60-C74 HydrophobicContact CE2-CB 4.09Å; F60-C74 WeakPolarHBondContact CE2-SG 3.48Å; C74-M76 WeakPolarHBondContact SG-CG 3.12Å
75	H	57.2	Low	53.3	Low	44 Å²	44	79.9 Å²	79.9	20%	0.204	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120	167.6	173.1	-67.5	0	0	0	110.7	I27 K61 R62	I27-H75 WeakPolarHBondContact CG2-CD2 3.4Å; I27-H75 WeakPolarHBondContact CG2-NE2 3.24Å; K61-H75 PolarHBondContact N-O 3.4Å; K61-H75 VanDerWaalsContact N-O 3.08Å; R62-H75 PolarHBondContact O-N 3.24Å
76	M	57.1	Low	52.4	Low	14 Å²	14	86 Å²	86	7%	0.069	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	176.1	-54.1	179.5	-72.5	0	0	109.3	I27 I28 C30 M46 M50 V58 F60 C74	I27-M76 CarbonylContact C-O 3.5Å; I27-M76 WeakPolarHBondContact CA-O 3.41Å; I28-M76 HydrophobicContact CB-CB 4.31Å; I28-M76 HydrophobicContact CB-CE 3.82Å; I28-M76 HydrophobicContact CD1-CE 4.48Å; I28-M76 HydrophobicContact CG2-CE 3.37Å; I28-M76 PolarHBondContact N-O 2.81Å; I28-M76 PolarHBondContact O-N 3.23Å; C30-M76 VanDerWaalsContact SG-CE 3.51Å; M46-M76 HydrophobicContact CE-SD 4.29Å; M50-M76 HydrophobicContact CE-CE 4.33Å; M50-M76 HydrophobicContact CE-SD 3.36Å; M50-M76 WeakPolarHBondContact CE-SD 3.36Å; M50-M76 HydrophobicContact CG-SD 4.07Å; M50-M76 HydrophobicContact SD-CG 4.31Å; M50-M76 HydrophobicContact SD-SD 3.15Å; V58-M76 HydrophobicContact CG1-CB 4.4Å; F60-M76 HydrophobicContact CD2-CG 4.44Å; C74-M76 WeakPolarHBondContact SG-CG 3.12Å
77	S	57.2	Low	51.6	Low	16 Å²	16	88.1 Å²	88.1	11%	0.112	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.8	170.6	54.5	0	0	0	0	110	L26 V58 K59 K61	L26-S77 CarbonylContact O-C 3.56Å; L26-S77 WeakPolarHBondContact O-CA 3.31Å; V58-S77 WeakPolarHBondContact CA-O 3.4Å; K59-S77 PolarHBondContact N-O 3.35Å; K59-S77 PolarHBondContact O-N 3.01Å; K61-S77 WeakPolarHBondContact CE-OG 3.28Å
78	I	59.7	Low	50.9	Low	22 Å²	22	82.6 Å²	82.6	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.5	176.4	-47	-169.4	0	0	0	109.1	H25 L26 I28 A57 V58 L80 L83	H25-I78 WeakPolarHBondContact CA-O 3.37Å; L26-I78 HydrophobicContact CB-CB 4.2Å; L26-I78 HydrophobicContact CD2-CD1 4.29Å; L26-I78 PolarHBondContact N-O 3.33Å; L26-I78 PolarHBondContact O-N 3.08Å; I28-I78 HydrophobicContact CD1-CD1 3.78Å; A57-I78 HydrophobicContact CB-CG2 3.84Å; A57-I78 VanDerWaalsContact O-CA 3.24Å; A57-I78 WeakPolarHBondContact O-CA 3.3Å; V58-I78 HydrophobicContact CB-CG1 4.5Å; V58-I78 HydrophobicContact CG1-CG1 4.35Å; V58-I78 HydrophobicContact CG2-CD1 3.97Å; V58-I78 HydrophobicContact CG2-CG1 3.91Å; V58-I78 HydrophobicContact CG2-CG2 4.22Å; I78-L80 PolarHBondContact O-N 3.04Å; I78-L83 HydrophobicContact CG2-CD1 3.89Å
79	H	56	Low	50.2	Low	55 Å²	55	78.6 Å²	78.6	26%	0.255	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	105.9	177.8	-164.2	-75	0	0	0	111.6	H25 A57 R81 K82	H25-H79 AromaticContact CD2-CD2 3.52Å; H25-H79 AromaticContact NE2-CD2 3.27Å; H25-H79 PolarHBondContact NE2-CD2 3.44Å; H25-H79 VanDerWaalsContact NE2-CD2 3.27Å; H25-H79 AromaticContact NE2-NE2 3.87Å; A57-H79 HydrophobicContact CB-CB 4.46Å; A57-H79 PolarHBondContact O-N 3.41Å; A57-H79 VanDerWaalsContact O-N 3.08Å; H79-R81 VanDerWaalsContact C-N 3.28Å; H79-R81 PolarHBondContact ND1-N 2.71Å; H79-R81 PolarHBondContact O-N 3.19Å; H79-R81 VanDerWaalsContact O-N 3.15Å; H79-K82 PolarHBondContact O-N 3.12Å
80	L	53.3	Low	49.3	Very low	41 Å²	41	82.7 Å²	82.7	22%	0.215	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-61.3	-28.3	-171.2	-69.1	176.5	0	0	0	114.1	R24 L26 I78 K82 L83 L87	R24-L80 PolarHBondContact O-N 3.43Å; R24-L80 VanDerWaalsContact O-N 3.09Å; L26-L80 HydrophobicContact CB-CD2 4.21Å; I78-L80 PolarHBondContact O-N 3.04Å; L80-K82 PolarHBondContact O-N 3.11Å; L80-K82 VanDerWaalsContact O-N 3.13Å; L80-L83 HydrophobicContact CD2-CD2 4.27Å; L80-L83 CarbonylContact O-C 3.51Å; L80-L83 WeakPolarHBondContact O-CA 3.35Å; L80-L83 PolarHBondContact O-N 3.28Å; L80-L87 HydrophobicContact CD2-CD1 3.92Å
81	R	55.4	Low	48	Very low	160 Å²	160	90.9 Å²	90.9	60%	0.604	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-60.1	-26	176.5	-62.6	-170.1	-159.6	172.3	2.1	113.6	H79	H79-R81 VanDerWaalsContact C-N 3.28Å; H79-R81 PolarHBondContact ND1-N 2.71Å; H79-R81 PolarHBondContact O-N 3.19Å; H79-R81 VanDerWaalsContact O-N 3.15Å
82	K	47.9	Very low	47.1	Very low	118 Å²	118	99.9 Å²	99.9	51%	0.513	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-88.3	-16.5	175.7	-70.1	-172.4	-178.3	-178.7	0	112.2	P56 A57 H79 L80 K84	P56-K82 HydrophobicContact CB-CD 4.31Å; P56-K82 HydrophobicContact CG-CD 4.16Å; P56-K82 PolarHBondContact O-NZ 2.86Å; A57-K82 HydrophobicContact CB-CB 3.96Å; H79-K82 PolarHBondContact O-N 3.12Å; L80-K82 PolarHBondContact O-N 3.11Å; L80-K82 VanDerWaalsContact O-N 3.13Å; K82-K84 VanDerWaalsContact C-N 3.25Å; K82-K84 PolarHBondContact O-N 2.68Å
83	L	43.3	Very low	46.5	Very low	54 Å²	54	104.8 Å²	104.8	28%	0.283	50%	0.498	S	S	.	.			trans	-89.3	50.6	177.5	-151	101.3	0	0	0	110.5	I78 L80 M85	I78-L83 HydrophobicContact CG2-CD1 3.89Å; L80-L83 HydrophobicContact CD2-CD2 4.27Å; L80-L83 CarbonylContact O-C 3.51Å; L80-L83 WeakPolarHBondContact O-CA 3.35Å; L80-L83 PolarHBondContact O-N 3.28Å; L83-M85 PolarHBondContact O-N 3.17Å
84	K	42.3	Very low	45.9	Very low	202 Å²	202	107.5 Å²	107.5	88%	0.878	51%	0.51	S	S	*	.			trans	-61.2	13.5	177	-93.6	-166.9	178.3	-176.1	0	114.2	K82	K82-K84 VanDerWaalsContact C-N 3.25Å; K82-K84 PolarHBondContact O-N 2.68Å
85	M	38.4	Very low	45.3	Very low	138 Å²	138	113.5 Å²	113.5	68%	0.68	54%	0.539	S	S	*	.	S	Bend	trans	-84.8	107.2	167.8	-78.5	-175.7	73.9	0	0	111	L83 L87	L83-M85 PolarHBondContact O-N 3.17Å; M85-L87 PolarHBondContact O-N 3.16Å
86	K	38.5	Very low	44.6	Very low	188 Å²	188	117.6 Å²	117.6	82%	0.817	56%	0.558	S	S	*	*	S	Bend	trans	54.2	28.8	146.7	-70.4	-174.1	175.7	179.8	0	120	S88	K86-S88 PolarHBondContact O-N 3.27Å
87	L	37.2	Very low	43.8	Very low	105 Å²	105	124.1 Å²	124.1	55%	0.55	59%	0.589	S	S	.	*			trans	-83.6	35.7	160.1	-77.5	169.6	0	0	0	112.9	L80 M85 L89 C90	L80-L87 HydrophobicContact CD2-CD1 3.92Å; M85-L87 PolarHBondContact O-N 3.16Å; L87-L89 PolarHBondContact O-N 3.02Å; L87-C90 PolarHBondContact O-N 2.89Å
88	S	38.2	Very low	42.9	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	9.1	173.1	77.5	0	0	0	0	113.6	K86	K86-S88 PolarHBondContact O-N 3.27Å
89	L	39.1	Very low	41.7	Very low	163 Å²	163	139.1 Å²	139.1	85%	0.853	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	0.6	175.1	-74.3	166.5	0	0	0	113.7	L87 R91	L87-L89 PolarHBondContact O-N 3.02Å; L89-R91 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact O-N 3.07Å
90	C	32.9	Very low	40.6	Very low	105 Å²	105	145.5 Å²	145.5	71%	0.709	69%	0.688	S	S	*	*			trans	-85.3	49.5	168.2	-155.5	0	0	0	0	111.5	L87	L87-C90 PolarHBondContact O-N 2.89Å
91	R	27.8	Very low	39.6	Very low	230 Å²	230	154.3 Å²	154.3	87%	0.868	73%	0.728	S	S	*	*			trans	-127.3	94	164	-86	-171.6	176.9	180	-0.7	108.1	L89	L89-R91 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact O-N 3.07Å
92	K	33.9	Very low	38.1	Very low	279 Å²	279	153.7 Å²	153.7	100%	1.213	74%	0.739	S	S	*	*			trans	-141.1	0	145.1	-85.5	-169	176.4	-177.8	0	106

Retrieved 92 of 92 residues in 28.6 ms (Link to these results)

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