A0A5K4F770_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F770, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 aa.

						>A0A5K4F770_SCHMA|A0A5K4F770
MFYFLTHIHCEFPSQSHHKHHQRIHQFHCRRYHHICPNENHQCRHHHHHVRNLDDHQLTHIHCGGHVHISKTYVNTSNSELLYIYSSFILPINIPYDVTYFAVYSSIPPDV
					

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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	38.2	Very low	42.7	Very low	182 Å²	182	108.9 Å²	108.9	90%	0.897	52%	0.517	S	S	*	.				0	119	0	-173.1	167.8	175.4	0	0	107	Y3	M1-Y3 HydrophobicContact CB-CE2 4.21Å; M1-Y3 HydrophobicContact CE-CD1 4.45Å; M1-Y3 HydrophobicContact CE-CE1 3.64Å; M1-Y3 HydrophobicContact CG-CE1 4.32Å; M1-Y3 HydrophobicContact CG-CE2 4.07Å; M1-Y3 HydrophobicContact SD-CE1 4.05Å; M1-Y3 HydrophobicContact SD-CE2 4.35Å; M1-Y3 PolarHBondContact SD-OH 3.09Å
2	F	43.3	Very low	43.5	Very low	154 Å²	154	102 Å²	102	68%	0.675	48%	0.483	S	S	*	.			trans	-85.1	128	175.1	-63.7	-84.1	0	0	0	108	L90	F2-L90 HydrophobicContact CD1-CD2 3.69Å; F2-L90 HydrophobicContact CE1-CD2 3.67Å
3	Y	44.4	Very low	43.8	Very low	131 Å²	131	100.5 Å²	100.5	51%	0.514	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.8	172.6	-65.9	-85.2	0	0	0	108	M1 L5	M1-Y3 HydrophobicContact CB-CE2 4.21Å; M1-Y3 HydrophobicContact CE-CD1 4.45Å; M1-Y3 HydrophobicContact CE-CE1 3.64Å; M1-Y3 HydrophobicContact CG-CE1 4.32Å; M1-Y3 HydrophobicContact CG-CE2 4.07Å; M1-Y3 HydrophobicContact SD-CE1 4.05Å; M1-Y3 HydrophobicContact SD-CE2 4.35Å; M1-Y3 PolarHBondContact SD-OH 3.09Å; Y3-L5 PolarHBondContact O-N 2.9Å
4	F	43	Very low	44.4	Very low	137 Å²	137	98.6 Å²	98.6	60%	0.601	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.1	168.4	-128.8	-89.5	0	0	0	107	F88	F4-F88 HydrophobicContact CD2-CE1 4.07Å; F4-F88 AromaticContact CE2-CE1 3.61Å; F4-F88 HydrophobicContact CE2-CE1 3.61Å; F4-F88 AromaticContact CE2-CZ 3.96Å; F4-F88 HydrophobicContact CE2-CZ 3.96Å; F4-F88 HydrophobicContact CZ-CE1 4.04Å; F4-F88 AromaticContact CZ-CZ 3.9Å; F4-F88 HydrophobicContact CZ-CZ 3.9Å
5	L	45.2	Very low	45	Very low	53 Å²	53	96.7 Å²	96.7	28%	0.277	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.4	173.5	-95	131.2	0	0	0	109.7	Y3 Y32 I35 S87 I89	Y3-L5 PolarHBondContact O-N 2.9Å; L5-Y32 HydrophobicContact CD1-CE1 4.25Å; L5-I35 HydrophobicContact CD1-CD1 4.09Å; L5-I35 HydrophobicContact CD2-CD1 4.19Å; L5-S87 WeakPolarHBondContact CB-OG 3.09Å; L5-S87 PolarHBondContact N-O 2.79Å; L5-S87 PolarHBondContact O-OG 3.41Å; L5-I89 HydrophobicContact CD1-CD1 3.47Å; L5-I89 VanDerWaalsContact CD1-CD1 3.47Å; L5-I89 HydrophobicContact CD1-CG1 3.89Å
6	T	44.2	Very low	46.1	Very low	109 Å²	109	95.1 Å²	95.1	67%	0.669	48%	0.48	S	S	*	.			trans	-40.7	145.2	-175.8	-38.9	0	0	0	0	113.6	I8	T6-I8 WeakPolarHBondContact O-CG1 3.48Å; T6-I8 PolarHBondContact O-N 2Å
7	H	43.2	Very low	46.6	Very low	99 Å²	99	96.5 Å²	96.5	46%	0.458	48%	0.484	S	S	.	.			trans	-54.9	134.3	169	-66.5	82.9	0	0	0	110.3	Y85	H7-Y85 PolarHBondContact CD2-O 3.47Å; H7-Y85 VanDerWaalsContact CD2-O 3.27Å; H7-Y85 AromaticContact NE2-CE1 3.85Å; H7-Y85 PolarHBondContact NE2-O 2.79Å
8	I	44.7	Very low	47.3	Very low	21 Å²	21	97.8 Å²	97.8	11%	0.108	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.9	179.6	-61.1	160.2	0	0	0	108.1	T6 C10 F27 I84	T6-I8 WeakPolarHBondContact O-CG1 3.48Å; T6-I8 PolarHBondContact O-N 2Å; I8-C10 VanDerWaalsContact CG2-SG 3.58Å; I8-F27 HydrophobicContact CG2-CE1 3.84Å; I8-F27 HydrophobicContact CG2-CZ 3.73Å; I8-I84 HydrophobicContact CB-CB 4.37Å; I8-I84 HydrophobicContact CB-CD1 3.98Å; I8-I84 HydrophobicContact CG2-CD1 4.02Å; I8-I84 VanDerWaalsContact O-CB 3.29Å; I8-I84 WeakPolarHBondContact O-CB 3.28Å; I8-I84 PolarHBondContact O-N 3.27Å
9	H	40.1	Very low	48.1	Very low	134 Å²	134	98.7 Å²	98.7	62%	0.62	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.8	169.1	-66.5	-96.2	0	0	0	108.8	Y83	H9-Y83 AromaticContact CE1-CD1 3.3Å; H9-Y83 WeakPolarHBondContact CE1-CD1 3.26Å; H9-Y83 AromaticContact CE1-CE1 3.44Å; H9-Y83 VanDerWaalsContact CE1-CE1 3.44Å; H9-Y83 WeakPolarHBondContact CE1-CE1 3.35Å; H9-Y83 AromaticContact ND1-CD1 3.29Å; H9-Y83 VanDerWaalsContact ND1-CD1 3.29Å; H9-Y83 WeakPolarHBondContact ND1-CD1 3.48Å; H9-Y83 AromaticContact ND1-CE1 3.39Å; H9-Y83 WeakPolarHBondContact ND1-CE1 3.29Å
10	C	42.4	Very low	48.8	Very low	17 Å²	17	94.3 Å²	94.3	12%	0.115	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.7	174.1	-70.6	0	0	0	0	108.7	I8 F12 F27 L82	I8-C10 VanDerWaalsContact CG2-SG 3.58Å; C10-F12 HydrophobicContact CB-CD2 4.15Å; C10-F12 HydrophobicContact CB-CE2 3.58Å; C10-F12 HydrophobicContact CB-CZ 4.17Å; C10-F27 WeakPolarHBondContact SG-CE1 2.66Å; C10-F27 WeakPolarHBondContact SG-CZ 3.35Å; C10-L82 WeakPolarHBondContact O-CB 3.45Å
11	E	41.4	Very low	49.2	Very low	161 Å²	161	91.5 Å²	91.5	75%	0.752	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	167.9	-69.2	175.3	-174.3	0	0	108.2	L81	E11-L81 HydrophobicContact CG-CD2 4.34Å
12	F	51.4	Low	50.5	Low	26 Å²	26	86.9 Å²	86.9	11%	0.114	43%	0.428	C	S	.	.			trans	-112.1	122.1	170.9	-70	-80.4	0	0	0	107.4	C10 S14 H20 R23 I24 F27 E80 L82	C10-F12 HydrophobicContact CB-CD2 4.15Å; C10-F12 HydrophobicContact CB-CE2 3.58Å; C10-F12 HydrophobicContact CB-CZ 4.17Å; F12-S14 PolarHBondContact O-N 3.36Å; F12-H20 AromaticContact CD2-CE1 3.81Å; F12-R23 HydrophobicContact CD1-CB 4.07Å; F12-R23 HydrophobicContact CE1-CB 3.77Å; F12-R23 HydrophobicContact CZ-CB 4.4Å; F12-I24 HydrophobicContact CD2-CG1 4.44Å; F12-I24 HydrophobicContact CE2-CG1 3.94Å; F12-I24 HydrophobicContact CZ-CG1 4.43Å; F12-F27 HydrophobicContact CZ-CB 4.26Å; F12-E80 PolarHBondContact N-O 3.07Å; F12-L82 HydrophobicContact CD2-CB 4.28Å; F12-L82 HydrophobicContact CD2-CD2 3.77Å; F12-L82 HydrophobicContact CE2-CD2 3.5Å
13	P	48.4	Very low	51.5	Low	82 Å²	82	83.8 Å²	83.8	53%	0.532	41%	0.412	S	S	.	.			trans	-57.9	142.6	177.1	23.4	-32	0	0	0	109.5	Q15	P13-Q15 WeakPolarHBondContact O-CG 3.21Å; P13-Q15 PolarHBondContact O-N 3.21Å; P13-Q15 VanDerWaalsContact O-N 3.1Å
14	S	51.9	Low	52.4	Low	75 Å²	75	77.6 Å²	77.6	52%	0.524	39%	0.388	S	S	.	.	S	Bend	trans	-47.5	117.1	-172.6	63.1	0	0	0	0	111.9	F12	F12-S14 PolarHBondContact O-N 3.36Å
15	Q	54.1	Low	53.4	Low	70 Å²	70	72.2 Å²	72.2	33%	0.327	37%	0.365	S	S	.	.			trans	-136.5	155.9	175.4	-72.7	-170.6	2.7	0	0	108.4	P13 H17 K19 R23	P13-Q15 WeakPolarHBondContact O-CG 3.21Å; P13-Q15 PolarHBondContact O-N 3.21Å; P13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-H17 PolarHBondContact O-N 3.18Å; Q15-K19 HydrophobicContact CB-CB 4.13Å; Q15-R23 VanDerWaalsContact CD-CZ 3.43Å; Q15-R23 VanDerWaalsContact NE2-NH1 3.13Å; Q15-R23 VanDerWaalsContact OE1-NE 3.15Å
16	S	61.1	Low	54.4	Low	71 Å²	71	74.5 Å²	74.5	50%	0.497	37%	0.374	S	S	.	.			trans	-44	133.7	172.7	57.5	0	0	0	0	110.6	H18 K19 H20	S16-H18 PolarHBondContact O-N 2.89Å; S16-K19 WeakPolarHBondContact O-CB 3.49Å; S16-K19 PolarHBondContact O-N 3.09Å; S16-K19 WeakPolarHBondContact OG-CG 3.39Å; S16-H20 PolarHBondContact O-N 3.43Å
17	H	55.8	Low	55.6	Low	119 Å²	119	71.9 Å²	71.9	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-40	-48.6	-177.6	-170.2	-127.6	0	0	0	112.1	Q15 K19 H20 H21	Q15-H17 PolarHBondContact O-N 3.18Å; H17-K19 PolarHBondContact O-N 3.29Å; H17-H20 VanDerWaalsContact O-CB 3.29Å; H17-H20 WeakPolarHBondContact O-CB 3.31Å; H17-H20 PolarHBondContact O-N 2.9Å; H17-H20 VanDerWaalsContact O-N 3.08Å; H17-H21 AromaticContact CD2-CD2 3.85Å; H17-H21 AromaticContact CD2-NE2 3.4Å; H17-H21 PolarHBondContact CD2-NE2 3.1Å; H17-H21 AromaticContact CE1-CE1 3.71Å; H17-H21 AromaticContact CE1-NE2 2.95Å; H17-H21 PolarHBondContact CE1-NE2 3.39Å; H17-H21 AromaticContact CG-CD2 3.93Å; H17-H21 AromaticContact CG-NE2 3.58Å; H17-H21 AromaticContact ND1-NE2 3.3Å; H17-H21 PolarHBondContact ND1-NE2 3.42Å; H17-H21 AromaticContact NE2-CD2 3.84Å; H17-H21 AromaticContact NE2-CE1 3.92Å; H17-H21 AromaticContact NE2-NE2 2.94Å; H17-H21 PolarHBondContact NE2-NE2 3.11Å; H17-H21 PolarHBondContact O-CD2 2.78Å; H17-H21 PolarHBondContact O-N 3.02Å
18	H	58.7	Low	56.7	Low	119 Å²	119	67.2 Å²	67.2	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-57.3	-42.4	177.6	-169.9	70.8	0	0	0	115.5	S16 H20 H21 Q22	S16-H18 PolarHBondContact O-N 2.89Å; H18-H20 VanDerWaalsContact C-N 3.31Å; H18-H21 PolarHBondContact O-N 3.39Å; H18-Q22 PolarHBondContact NE2-NE2 3.49Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 3.4Å
19	K	62.9	Low	57.6	Low	116 Å²	116	67.5 Å²	67.5	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-67.5	-34.8	176.2	-75.8	-177.6	178.2	178.2	0	111.8	Q15 S16 H17 Q22 R23	Q15-K19 HydrophobicContact CB-CB 4.13Å; S16-K19 WeakPolarHBondContact O-CB 3.49Å; S16-K19 PolarHBondContact O-N 3.09Å; S16-K19 WeakPolarHBondContact OG-CG 3.39Å; H17-K19 PolarHBondContact O-N 3.29Å; K19-Q22 PolarHBondContact O-N 3.31Å; K19-R23 WeakPolarHBondContact O-CG 3.39Å; K19-R23 PolarHBondContact O-N 3.2Å
20	H	61.3	Low	59	Low	9 Å²	9	70.1 Å²	70.1	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-47.6	176.2	-171.1	87.2	0	0	0	110.8	F12 S16 H17 H18 Q22 R23 I24 L82	F12-H20 AromaticContact CD2-CE1 3.81Å; S16-H20 PolarHBondContact O-N 3.43Å; H17-H20 VanDerWaalsContact O-CB 3.29Å; H17-H20 WeakPolarHBondContact O-CB 3.31Å; H17-H20 PolarHBondContact O-N 2.9Å; H17-H20 VanDerWaalsContact O-N 3.08Å; H18-H20 VanDerWaalsContact C-N 3.31Å; H20-Q22 PolarHBondContact O-N 3.03Å; H20-R23 PolarHBondContact O-N 3.44Å; H20-I24 WeakPolarHBondContact CD2-CD1 2.92Å; H20-I24 WeakPolarHBondContact NE2-CD1 3.13Å; H20-I24 VanDerWaalsContact O-CG1 3.27Å; H20-I24 WeakPolarHBondContact O-CG1 3.39Å; H20-I24 PolarHBondContact O-N 3.44Å; H20-L82 WeakPolarHBondContact NE2-CD1 3.14Å
21	H	58.7	Low	60.1	Low	36 Å²	36	75 Å²	75	17%	0.167	36%	0.356	C	S	.	.	H	α-helix	trans	-57	-46	175.1	-74.8	-126.5	0	0	0	112.7	H17 H18 R23 I24 H25 Q57	H17-H21 AromaticContact CD2-CD2 3.85Å; H17-H21 AromaticContact CD2-NE2 3.4Å; H17-H21 PolarHBondContact CD2-NE2 3.1Å; H17-H21 AromaticContact CE1-CE1 3.71Å; H17-H21 AromaticContact CE1-NE2 2.95Å; H17-H21 PolarHBondContact CE1-NE2 3.39Å; H17-H21 AromaticContact CG-CD2 3.93Å; H17-H21 AromaticContact CG-NE2 3.58Å; H17-H21 AromaticContact ND1-NE2 3.3Å; H17-H21 PolarHBondContact ND1-NE2 3.42Å; H17-H21 AromaticContact NE2-CD2 3.84Å; H17-H21 AromaticContact NE2-CE1 3.92Å; H17-H21 AromaticContact NE2-NE2 2.94Å; H17-H21 PolarHBondContact NE2-NE2 3.11Å; H17-H21 PolarHBondContact O-CD2 2.78Å; H17-H21 PolarHBondContact O-N 3.02Å; H18-H21 PolarHBondContact O-N 3.39Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.97Å; H21-I24 PolarHBondContact O-N 2.87Å; H21-H25 PolarHBondContact O-N 3.15Å; H21-Q57 PolarHBondContact CD2-NE2 3.34Å; H21-Q57 VanDerWaalsContact CD2-NE2 3.29Å; H21-Q57 PolarHBondContact CE1-NE2 3.46Å; H21-Q57 PolarHBondContact CE1-OE1 3.15Å; H21-Q57 VanDerWaalsContact ND1-CD 3.35Å; H21-Q57 PolarHBondContact ND1-OE1 3.47Å; H21-Q57 PolarHBondContact NE2-NE2 3.1Å
22	Q	64.1	Low	61.1	Low	85 Å²	85	67.6 Å²	67.6	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-40.9	178.9	-73	-178.8	-15.3	0	0	111.8	H18 K19 H20 H25 Q26	H18-Q22 PolarHBondContact NE2-NE2 3.49Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 3.4Å; K19-Q22 PolarHBondContact O-N 3.31Å; H20-Q22 PolarHBondContact O-N 3.03Å; Q22-H25 PolarHBondContact O-N 3.37Å; Q22-Q26 WeakPolarHBondContact O-CB 3.47Å; Q22-Q26 VanDerWaalsContact O-CG 3.24Å; Q22-Q26 WeakPolarHBondContact O-CG 3.18Å; Q22-Q26 PolarHBondContact O-N 2.89Å
23	R	64.3	Low	61.7	Low	89 Å²	89	71.3 Å²	71.3	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-40.7	177.4	-78.2	-178.5	168.5	-161	-5	112.4	F12 Q15 K19 H20 H21 Q26 F27	F12-R23 HydrophobicContact CD1-CB 4.07Å; F12-R23 HydrophobicContact CE1-CB 3.77Å; F12-R23 HydrophobicContact CZ-CB 4.4Å; Q15-R23 VanDerWaalsContact CD-CZ 3.43Å; Q15-R23 VanDerWaalsContact NE2-NH1 3.13Å; Q15-R23 VanDerWaalsContact OE1-NE 3.15Å; K19-R23 WeakPolarHBondContact O-CG 3.39Å; K19-R23 PolarHBondContact O-N 3.2Å; H20-R23 PolarHBondContact O-N 3.44Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.97Å; R23-Q26 PolarHBondContact O-N 3.41Å; R23-F27 VanDerWaalsContact O-CB 3.26Å; R23-F27 WeakPolarHBondContact O-CB 3.34Å; R23-F27 PolarHBondContact O-N 2.74Å
24	I	63.4	Low	62.3	Low	1 Å²	1	75 Å²	75	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-51.9	175.2	-68.8	165.9	0	0	0	109.9	F12 H20 H21 Q26 F27 H28 T72 L82	F12-I24 HydrophobicContact CD2-CG1 4.44Å; F12-I24 HydrophobicContact CE2-CG1 3.94Å; F12-I24 HydrophobicContact CZ-CG1 4.43Å; H20-I24 WeakPolarHBondContact CD2-CD1 2.92Å; H20-I24 WeakPolarHBondContact NE2-CD1 3.13Å; H20-I24 VanDerWaalsContact O-CG1 3.27Å; H20-I24 WeakPolarHBondContact O-CG1 3.39Å; H20-I24 PolarHBondContact O-N 3.44Å; H21-I24 PolarHBondContact O-N 2.87Å; I24-Q26 VanDerWaalsContact C-N 3.35Å; I24-Q26 PolarHBondContact O-N 2.03Å; I24-F27 WeakPolarHBondContact O-CB 3.43Å; I24-F27 PolarHBondContact O-N 2.7Å; I24-F27 VanDerWaalsContact O-N 3.12Å; I24-H28 VanDerWaalsContact CG2-CD2 3.46Å; I24-H28 WeakPolarHBondContact CG2-CD2 3.48Å; I24-H28 PolarHBondContact O-CD2 3.12Å; I24-H28 PolarHBondContact O-N 3.09Å; I24-T72 HydrophobicContact CD1-CG2 4.17Å; I24-T72 HydrophobicContact CG2-CG2 4.17Å; I24-L82 HydrophobicContact CD1-CD1 3.61Å; I24-L82 HydrophobicContact CD1-CD2 3.53Å; I24-L82 HydrophobicContact CD1-CG 4.18Å; I24-L82 HydrophobicContact CG1-CD1 4.47Å; I24-L82 HydrophobicContact CG1-CD2 3.42Å; I24-L82 VanDerWaalsContact CG1-CD2 3.42Å
25	H	64.6	Low	62.7	Low	24 Å²	24	75.1 Å²	75.1	11%	0.111	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-44.8	178.4	174.6	-94.1	0	0	0	111.9	H21 Q22 F27 H28 C29 H45	H21-H25 PolarHBondContact O-N 3.15Å; Q22-H25 PolarHBondContact O-N 3.37Å; H25-F27 VanDerWaalsContact C-N 3.31Å; H25-F27 PolarHBondContact O-N 2.81Å; H25-H28 PolarHBondContact O-N 3.5Å; H25-C29 WeakPolarHBondContact O-CB 3.26Å; H25-C29 PolarHBondContact O-N 3.3Å; H25-H45 WeakPolarHBondContact CB-CE1 3.5Å; H25-H45 WeakPolarHBondContact CB-NE2 3.38Å; H25-H45 AromaticContact CD2-CD2 3.37Å; H25-H45 PolarHBondContact CD2-CD2 3.45Å; H25-H45 AromaticContact CD2-CE1 3.87Å; H25-H45 AromaticContact CD2-CG 3.75Å; H25-H45 AromaticContact CD2-NE2 3.5Å; H25-H45 PolarHBondContact CD2-NE2 3.31Å; H25-H45 AromaticContact CE1-CD2 3.71Å; H25-H45 AromaticContact CG-CD2 3.37Å; H25-H45 AromaticContact CG-CE1 3.65Å; H25-H45 AromaticContact CG-NE2 3.06Å; H25-H45 AromaticContact ND1-CD2 3.59Å; H25-H45 AromaticContact ND1-NE2 3.5Å; H25-H45 AromaticContact NE2-CD2 3.61Å
26	Q	66.9	Low	63	Low	102 Å²	102	72.7 Å²	72.7	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-40.7	174.3	-75.5	176.1	3.3	0	0	112.4	Q22 R23 I24 C29 R30	Q22-Q26 WeakPolarHBondContact O-CB 3.47Å; Q22-Q26 VanDerWaalsContact O-CG 3.24Å; Q22-Q26 WeakPolarHBondContact O-CG 3.18Å; Q22-Q26 PolarHBondContact O-N 2.89Å; R23-Q26 PolarHBondContact O-N 3.41Å; I24-Q26 VanDerWaalsContact C-N 3.35Å; I24-Q26 PolarHBondContact O-N 2.03Å; Q26-C29 PolarHBondContact O-N 2.79Å; Q26-R30 WeakPolarHBondContact O-CB 3.02Å; Q26-R30 VanDerWaalsContact O-CG 3.31Å; Q26-R30 WeakPolarHBondContact O-CG 3.38Å; Q26-R30 PolarHBondContact O-N 2.89Å
27	F	68	Low	62.8	Low	54 Å²	54	73.3 Å²	73.3	24%	0.237	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-50.1	177.5	174	-96.2	0	0	0	111.3	I8 C10 F12 R23 I24 H25 R30 R31 I84	I8-F27 HydrophobicContact CG2-CE1 3.84Å; I8-F27 HydrophobicContact CG2-CZ 3.73Å; C10-F27 WeakPolarHBondContact SG-CE1 2.66Å; C10-F27 WeakPolarHBondContact SG-CZ 3.35Å; F12-F27 HydrophobicContact CZ-CB 4.26Å; R23-F27 VanDerWaalsContact O-CB 3.26Å; R23-F27 WeakPolarHBondContact O-CB 3.34Å; R23-F27 PolarHBondContact O-N 2.74Å; I24-F27 WeakPolarHBondContact O-CB 3.43Å; I24-F27 PolarHBondContact O-N 2.7Å; I24-F27 VanDerWaalsContact O-N 3.12Å; H25-F27 VanDerWaalsContact C-N 3.31Å; H25-F27 PolarHBondContact O-N 2.81Å; F27-R30 PolarHBondContact O-N 3.41Å; F27-R31 HydrophobicContact CE1-CG 4.37Å; F27-R31 HydrophobicContact CE2-CG 4.47Å; F27-R31 HydrophobicContact CZ-CG 4.2Å; F27-R31 PolarHBondContact O-N 2.86Å; F27-I84 HydrophobicContact CD1-CD1 4.19Å; F27-I84 HydrophobicContact CE1-CD1 3.84Å
28	H	66.4	Low	62.9	Low	0 Å²	0	75 Å²	75	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-50.4	174.8	-70.1	-75.3	0	0	0	110.2	I24 H25 R30 R31 Y32 T59 I61 S70 I84	I24-H28 VanDerWaalsContact CG2-CD2 3.46Å; I24-H28 WeakPolarHBondContact CG2-CD2 3.48Å; I24-H28 PolarHBondContact O-CD2 3.12Å; I24-H28 PolarHBondContact O-N 3.09Å; H25-H28 PolarHBondContact O-N 3.5Å; H28-R30 VanDerWaalsContact C-N 3.28Å; H28-R30 PolarHBondContact O-N 2.9Å; H28-R31 PolarHBondContact O-N 3.49Å; H28-Y32 HydrophobicContact CB-CD2 4.27Å; H28-Y32 HydrophobicContact CB-CE2 4.48Å; H28-Y32 WeakPolarHBondContact O-CD2 3.18Å; H28-Y32 PolarHBondContact O-N 3.37Å; H28-T59 HydrophobicContact CB-CG2 4.3Å; H28-I61 HydrophobicContact CB-CD1 3.43Å; H28-I61 VanDerWaalsContact CB-CD1 3.43Å; H28-S70 VanDerWaalsContact CE1-CB 3.43Å; H28-S70 WeakPolarHBondContact CE1-CB 3Å; H28-S70 PolarHBondContact CE1-OG 3.04Å; H28-S70 PolarHBondContact ND1-OG 3.43Å; H28-S70 PolarHBondContact NE2-OG 3.45Å; H28-I84 VanDerWaalsContact CE1-CD1 3.47Å; H28-I84 WeakPolarHBondContact CE1-CD1 3.37Å
29	C	63.9	Low	62.8	Low	28 Å²	28	73.3 Å²	73.3	19%	0.189	34%	0.341	C	S	.	.	H	α-helix	trans	-51.1	-47.2	179.4	-152	0	0	0	0	112.3	H25 Q26 Y32 H33 H41 C43	H25-C29 WeakPolarHBondContact O-CB 3.26Å; H25-C29 PolarHBondContact O-N 3.3Å; Q26-C29 PolarHBondContact O-N 2.79Å; C29-Y32 PolarHBondContact O-N 2.8Å; C29-H33 PolarHBondContact O-N 3.12Å; C29-H41 PolarHBondContact SG-NE2 2.81Å; C29-C43 WeakPolarHBondContact CA-SG 3.29Å; C29-C43 HydrophobicContact CB-CB 4.28Å; C29-C43 WeakPolarHBondContact CB-SG 3.34Å; C29-C43 WeakPolarHBondContact SG-CB 3.15Å; C29-C43 CovalentContact SG-SG 2.03Å; C29-C43 PolarHBondContact SG-SG 3.04Å
30	R	68.8	Low	62.5	Low	188 Å²	188	75.1 Å²	75.1	71%	0.709	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-44.8	176.7	-75	-179.9	179.9	-167	0.7	112.8	Q26 F27 H28 Y32 H33 H34	Q26-R30 WeakPolarHBondContact O-CB 3.02Å; Q26-R30 VanDerWaalsContact O-CG 3.31Å; Q26-R30 WeakPolarHBondContact O-CG 3.38Å; Q26-R30 PolarHBondContact O-N 2.89Å; F27-R30 PolarHBondContact O-N 3.41Å; H28-R30 VanDerWaalsContact C-N 3.28Å; H28-R30 PolarHBondContact O-N 2.9Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-Y32 PolarHBondContact O-N 3.37Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.45Å; R30-H34 PolarHBondContact O-CD2 3.05Å
31	R	65.4	Low	62.3	Low	119 Å²	119	77.2 Å²	77.2	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-41.2	177.2	-76.9	-159.1	113.8	152.4	1.5	112	F27 H28 H33 H34	F27-R31 HydrophobicContact CE1-CG 4.37Å; F27-R31 HydrophobicContact CE2-CG 4.47Å; F27-R31 HydrophobicContact CZ-CG 4.2Å; F27-R31 PolarHBondContact O-N 2.86Å; H28-R31 PolarHBondContact O-N 3.49Å; R31-H33 VanDerWaalsContact C-N 3.33Å; R31-H34 PolarHBondContact O-N 3.18Å
32	Y	64.3	Low	62.2	Low	7 Å²	7	80.3 Å²	80.3	3%	0.027	38%	0.38	C	S	.	.	H	α-helix	trans	-76.3	-20.4	-178.8	-74.9	-78.1	0	0	0	113.4	L5 H28 C29 R30 H34 I35 C36 I61 H68 S87 I89	L5-Y32 HydrophobicContact CD1-CE1 4.25Å; H28-Y32 HydrophobicContact CB-CD2 4.27Å; H28-Y32 HydrophobicContact CB-CE2 4.48Å; H28-Y32 WeakPolarHBondContact O-CD2 3.18Å; H28-Y32 PolarHBondContact O-N 3.37Å; C29-Y32 PolarHBondContact O-N 2.8Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-Y32 PolarHBondContact O-N 3.37Å; Y32-H34 PolarHBondContact O-N 3.44Å; Y32-I35 HydrophobicContact CD1-CD1 3.57Å; Y32-I35 HydrophobicContact CE1-CD1 3.53Å; Y32-I35 HydrophobicContact CG-CD1 4.44Å; Y32-I35 PolarHBondContact O-N 3.38Å; Y32-I35 VanDerWaalsContact O-N 3.09Å; Y32-C36 PolarHBondContact O-N 3.16Å; Y32-C36 VanDerWaalsContact O-N 3.15Å; Y32-I61 HydrophobicContact CD2-CD1 3.89Å; Y32-I61 HydrophobicContact CG-CD1 4.43Å; Y32-H68 HydrophobicContact CD1-CB 3.78Å; Y32-H68 AromaticContact CD1-CD2 3.97Å; Y32-H68 AromaticContact CD1-CG 3.56Å; Y32-H68 AromaticContact CD2-CE1 3.7Å; Y32-H68 AromaticContact CD2-CG 3.76Å; Y32-H68 AromaticContact CD2-ND1 3.37Å; Y32-H68 WeakPolarHBondContact CD2-ND1 3.25Å; Y32-H68 HydrophobicContact CE1-CB 3.85Å; Y32-H68 AromaticContact CE1-CD2 3.16Å; Y32-H68 WeakPolarHBondContact CE1-CD2 3.31Å; Y32-H68 AromaticContact CE1-CG 3.25Å; Y32-H68 AromaticContact CE1-ND1 3.84Å; Y32-H68 AromaticContact CE1-NE2 3.73Å; Y32-H68 AromaticContact CE2-CD2 3.65Å; Y32-H68 AromaticContact CE2-CE1 3.03Å; Y32-H68 WeakPolarHBondContact CE2-CE1 3.03Å; Y32-H68 AromaticContact CE2-CG 3.55Å; Y32-H68 AromaticContact CE2-ND1 3.19Å; Y32-H68 WeakPolarHBondContact CE2-ND1 3.36Å; Y32-H68 AromaticContact CE2-NE2 3.36Å; Y32-H68 WeakPolarHBondContact CE2-NE2 3.19Å; Y32-H68 HydrophobicContact CG-CB 4.19Å; Y32-H68 AromaticContact CG-CG 3.85Å; Y32-H68 AromaticContact CG-ND1 3.88Å; Y32-H68 AromaticContact CZ-CD2 3.03Å; Y32-H68 AromaticContact CZ-CE1 3.27Å; Y32-H68 AromaticContact CZ-CG 3.31Å; Y32-H68 AromaticContact CZ-ND1 3.47Å; Y32-H68 AromaticContact CZ-NE2 3.03Å; Y32-H68 PolarHBondContact OH-CD2 3.47Å; Y32-H68 PolarHBondContact OH-CE1 3Å; Y32-H68 PolarHBondContact OH-NE2 2.99Å; Y32-S87 VanDerWaalsContact OH-CB 3.31Å; Y32-S87 WeakPolarHBondContact OH-CB 3.16Å; Y32-S87 PolarHBondContact OH-OG 3.33Å; Y32-I89 HydrophobicContact CD1-CD1 4.35Å; Y32-I89 HydrophobicContact CE1-CD1 3.94Å; Y32-I89 HydrophobicContact CE1-CG1 4.03Å
33	H	63.3	Low	61.8	Low	103 Å²	103	77.9 Å²	77.9	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-31.1	169.1	-166.9	-91.7	0	0	0	112.6	C29 R30 R31 I35 C36 P37	C29-H33 PolarHBondContact O-N 3.12Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.45Å; R31-H33 VanDerWaalsContact C-N 3.33Å; H33-I35 VanDerWaalsContact C-N 3.35Å; H33-C36 CarbonylContact O-C 3.42Å; H33-P37 WeakPolarHBondContact O-CA 3.27Å
34	H	61.5	Low	61.2	Low	161 Å²	161	80 Å²	80	75%	0.745	38%	0.38	S	S	*	.	H	α-helix	trans	-73.2	-26.9	174.7	-73.4	-81.4	0	0	0	113.6	R30 R31 Y32	R30-H34 PolarHBondContact O-CD2 3.05Å; R31-H34 PolarHBondContact O-N 3.18Å; Y32-H34 PolarHBondContact O-N 3.44Å
35	I	60	Low	60.7	Low	77 Å²	77	83.6 Å²	83.6	40%	0.395	40%	0.397	S	S	.	.	H	α-helix	trans	-80.5	-26.7	-179.9	-64.4	166.6	0	0	0	110.4	L5 Y32 H33 I89	L5-I35 HydrophobicContact CD1-CD1 4.09Å; L5-I35 HydrophobicContact CD2-CD1 4.19Å; Y32-I35 HydrophobicContact CD1-CD1 3.57Å; Y32-I35 HydrophobicContact CE1-CD1 3.53Å; Y32-I35 HydrophobicContact CG-CD1 4.44Å; Y32-I35 PolarHBondContact O-N 3.38Å; Y32-I35 VanDerWaalsContact O-N 3.09Å; H33-I35 VanDerWaalsContact C-N 3.35Å; I35-I89 HydrophobicContact CD1-CD1 4.24Å; I35-I89 HydrophobicContact CG2-CD1 3.85Å
36	C	59.6	Low	60	Low	18 Å²	18	86.2 Å²	86.2	12%	0.122	41%	0.409	C	S	.	.			trans	-131.9	65.2	-179	-64.5	0	0	0	0	113.2	Y32 H33 N38 C63	Y32-C36 PolarHBondContact O-N 3.16Å; Y32-C36 VanDerWaalsContact O-N 3.15Å; H33-C36 CarbonylContact O-C 3.42Å; C36-N38 PolarHBondContact O-N 3.35Å; C36-N38 VanDerWaalsContact O-N 3.09Å; C36-C63 HydrophobicContact CB-CB 3.95Å; C36-C63 WeakPolarHBondContact CB-SG 3.49Å; C36-C63 WeakPolarHBondContact SG-CB 3.41Å; C36-C63 CovalentContact SG-SG 2Å; C36-C63 PolarHBondContact SG-SG 2.84Å
37	P	58	Low	59	Low	84 Å²	84	87.7 Å²	87.7	55%	0.545	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.2	-172.5	25.2	-33.8	0	0	0	114.5	H33	H33-P37 WeakPolarHBondContact O-CA 3.27Å
38	N	56.9	Low	58.1	Low	156 Å²	156	91.1 Å²	91.1	83%	0.834	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	6	-169.6	-65.7	-20.2	0	0	0	114.6	C36	C36-N38 PolarHBondContact O-N 3.35Å; C36-N38 VanDerWaalsContact O-N 3.09Å
39	E	56.3	Low	56.9	Low	83 Å²	83	98.5 Å²	98.5	39%	0.388	47%	0.466	S	S	.	.	S	Bend	trans	-105.6	141.6	179.5	-64.1	-165.1	142.2	0	0	110.7	H41 C63 G64	E39-H41 PolarHBondContact O-N 3.07Å; E39-C63 PolarHBondContact OE2-SG 3.31Å; E39-G64 WeakPolarHBondContact OE2-CA 3.46Å; E39-G64 PolarHBondContact OE2-N 3.31Å
40	N	56.3	Low	55.6	Low	154 Å²	154	99.8 Å²	99.8	82%	0.824	47%	0.473	S	S	*	.			trans	-55.6	108.7	175.7	-91.2	-21.4	0	0	0	109.6
41	H	57.4	Low	54.1	Low	53 Å²	53	101.9 Å²	101.9	25%	0.245	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.3	-173.1	-168.2	84.8	0	0	0	110.2	C29 E39 C43 I61	C29-H41 PolarHBondContact SG-NE2 2.81Å; E39-H41 PolarHBondContact O-N 3.07Å; H41-C43 PolarHBondContact NE2-SG 3.24Å; H41-I61 WeakPolarHBondContact CE1-CG2 3.49Å
42	Q	55.9	Low	52.7	Low	101 Å²	101	103.4 Å²	103.4	47%	0.472	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	85.2	170.9	-66.7	-167.9	8.4	0	0	109.4	R44 H62	Q42-R44 HydrophobicContact CB-CG 4.42Å; Q42-R44 PolarHBondContact O-N 2.85Å; Q42-R44 VanDerWaalsContact O-N 3.11Å; Q42-R44 VanDerWaalsContact OE1-CZ 3.3Å; Q42-R44 VanDerWaalsContact OE1-NE 3.13Å; Q42-H62 PolarHBondContact N-O 2.75Å; Q42-H62 PolarHBondContact O-N 3.44Å
43	C	55.8	Low	51.6	Low	33 Å²	33	105.8 Å²	105.8	22%	0.223	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	105.9	163.5	-101.3	0	0	0	0	108.9	C29 H41	C29-C43 WeakPolarHBondContact CA-SG 3.29Å; C29-C43 HydrophobicContact CB-CB 4.28Å; C29-C43 WeakPolarHBondContact CB-SG 3.34Å; C29-C43 WeakPolarHBondContact SG-CB 3.15Å; C29-C43 CovalentContact SG-SG 2.03Å; C29-C43 PolarHBondContact SG-SG 3.04Å; H41-C43 PolarHBondContact NE2-SG 3.24Å
44	R	52.8	Low	50.9	Low	135 Å²	135	109 Å²	109	51%	0.509	53%	0.531	S	S	.	.			trans	-116.2	122.3	176.2	-66.4	-173.5	-179.6	-162	0.2	108.8	Q42 H46	Q42-R44 HydrophobicContact CB-CG 4.42Å; Q42-R44 PolarHBondContact O-N 2.85Å; Q42-R44 VanDerWaalsContact O-N 3.11Å; Q42-R44 VanDerWaalsContact OE1-CZ 3.3Å; Q42-R44 VanDerWaalsContact OE1-NE 3.13Å; R44-H46 PolarHBondContact O-N 3.08Å; R44-H46 VanDerWaalsContact O-N 3.12Å
45	H	52.1	Low	50.5	Low	76 Å²	76	104.3 Å²	104.3	35%	0.352	51%	0.512	S	S	.	.			trans	-66.4	110.4	162.9	-92	-85.3	0	0	0	108.7	H25 H47	H25-H45 WeakPolarHBondContact CB-CE1 3.5Å; H25-H45 WeakPolarHBondContact CB-NE2 3.38Å; H25-H45 AromaticContact CD2-CD2 3.37Å; H25-H45 PolarHBondContact CD2-CD2 3.45Å; H25-H45 AromaticContact CD2-CE1 3.87Å; H25-H45 AromaticContact CD2-CG 3.75Å; H25-H45 AromaticContact CD2-NE2 3.5Å; H25-H45 PolarHBondContact CD2-NE2 3.31Å; H25-H45 AromaticContact CE1-CD2 3.71Å; H25-H45 AromaticContact CG-CD2 3.37Å; H25-H45 AromaticContact CG-CE1 3.65Å; H25-H45 AromaticContact CG-NE2 3.06Å; H25-H45 AromaticContact ND1-CD2 3.59Å; H25-H45 AromaticContact ND1-NE2 3.5Å; H25-H45 AromaticContact NE2-CD2 3.61Å; H45-H47 PolarHBondContact O-N 3.19Å
46	H	50.8	Low	50.3	Low	78 Å²	78	103.4 Å²	103.4	36%	0.361	51%	0.506	S	S	.	.			trans	-87.8	101.7	163.7	-83.3	-90.2	0	0	0	108.6	R44 H48	R44-H46 PolarHBondContact O-N 3.08Å; R44-H46 VanDerWaalsContact O-N 3.12Å; H46-H48 PolarHBondContact O-N 2.82Å
47	H	45.6	Very low	50.3	Low	133 Å²	133	103.8 Å²	103.8	62%	0.616	51%	0.506	S	S	*	.			trans	-73.5	63.9	166.3	-72.8	-74.8	0	0	0	109.7	H45 H49	H45-H47 PolarHBondContact O-N 3.19Å; H47-H49 PolarHBondContact O-N 3.19Å
48	H	49.9	Very low	50.4	Low	126 Å²	126	101.6 Å²	101.6	58%	0.583	49%	0.489	S	S	*	.			trans	-79.3	103.3	161.8	-99.6	-83.9	0	0	0	107.5	H46 V50	H46-H48 PolarHBondContact O-N 2.82Å; H48-V50 PolarHBondContact O-N 3.04Å
49	H	40.2	Very low	50.6	Low	156 Å²	156	94.6 Å²	94.6	72%	0.722	45%	0.452	S	S	*	.			trans	-57.6	87.5	160.9	-68.2	-85.4	0	0	0	107.8	H47 R51	H47-H49 PolarHBondContact O-N 3.19Å; H49-R51 HydrophobicContact CB-CG 4.31Å; H49-R51 PolarHBondContact O-N 2.98Å
50	V	36.9	Very low	50.9	Low	54 Å²	54	91.1 Å²	91.1	33%	0.327	44%	0.436	S	S	.	.			trans	-66.9	94.6	160.2	-176.3	0	0	0	0	104.2	H48 N52 L53 L58	H48-V50 PolarHBondContact O-N 3.04Å; V50-N52 PolarHBondContact O-N 2.89Å; V50-L53 HydrophobicContact CG1-CD1 4.12Å; V50-L58 HydrophobicContact CG2-CD1 4.15Å
51	R	36.4	Very low	51.3	Low	233 Å²	233	83.8 Å²	83.8	88%	0.879	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	11.6	-169.5	-80.9	-176	174.1	179.5	-1.9	115	H49	H49-R51 HydrophobicContact CB-CG 4.31Å; H49-R51 PolarHBondContact O-N 2.98Å
52	N	37.4	Very low	51.5	Low	150 Å²	150	83.7 Å²	83.7	80%	0.802	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	13.5	-166.5	-91.1	-5.5	0	0	0	115.8	V50	V50-N52 PolarHBondContact O-N 2.89Å
53	L	40	Very low	51.8	Low	57 Å²	57	79.2 Å²	79.2	30%	0.298	38%	0.376	S	S	.	.			trans	-139.5	93.1	177.8	-71.2	162.3	0	0	0	109.2	V50 D55 H56 Y104	V50-L53 HydrophobicContact CG1-CD1 4.12Å; L53-D55 PolarHBondContact O-N 3.21Å; L53-H56 HydrophobicContact CB-CB 4.2Å; L53-H56 PolarHBondContact O-N 3.47Å; L53-Y104 HydrophobicContact CD1-CE2 4.11Å
54	D	49.6	Very low	52.4	Low	170 Å²	170	79.5 Å²	79.5	91%	0.909	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-7.8	-170.2	-81.3	-43.1	0	0	0	115.7
55	D	53.5	Low	53.1	Low	64 Å²	64	74.7 Å²	74.7	34%	0.342	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	19.3	-174.8	-72.2	-46.8	0	0	0	115	L53 V74 T76	L53-D55 PolarHBondContact O-N 3.21Å; D55-V74 PolarHBondContact O-N 3.34Å; D55-T76 WeakPolarHBondContact OD1-CG2 3.21Å; D55-T76 PolarHBondContact OD1-OG1 3.3Å; D55-T76 VanDerWaalsContact OD1-OG1 3.04Å
56	H	54.3	Low	53.7	Low	58 Å²	58	74.8 Å²	74.8	27%	0.269	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.2	-174.1	-59.2	-27.6	0	0	0	113.9	L53 K71 Y73	L53-H56 HydrophobicContact CB-CB 4.2Å; L53-H56 PolarHBondContact O-N 3.47Å; H56-K71 VanDerWaalsContact CD2-CE 3.47Å; H56-K71 WeakPolarHBondContact CD2-CE 3.36Å; H56-K71 PolarHBondContact CD2-NZ 3.36Å; H56-K71 PolarHBondContact NE2-NZ 3.48Å; H56-Y73 AromaticContact CE1-CD1 3.27Å; H56-Y73 WeakPolarHBondContact CE1-CD1 3.49Å; H56-Y73 AromaticContact CE1-CE1 3.14Å; H56-Y73 WeakPolarHBondContact CE1-CE1 3.33Å; H56-Y73 AromaticContact CE1-CZ 3.88Å; H56-Y73 AromaticContact ND1-CD1 3.56Å; H56-Y73 AromaticContact ND1-CE1 3.75Å; H56-Y73 AromaticContact ND1-CG 3.96Å; H56-Y73 AromaticContact NE2-CE1 3.86Å
57	Q	59.6	Low	54.5	Low	25 Å²	25	71.8 Å²	71.8	12%	0.117	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.9	173.2	-74.7	164.6	42.2	0	0	111	H21 T72	H21-Q57 PolarHBondContact CD2-NE2 3.34Å; H21-Q57 VanDerWaalsContact CD2-NE2 3.29Å; H21-Q57 PolarHBondContact CE1-NE2 3.46Å; H21-Q57 PolarHBondContact CE1-OE1 3.15Å; H21-Q57 VanDerWaalsContact ND1-CD 3.35Å; H21-Q57 PolarHBondContact ND1-OE1 3.47Å; H21-Q57 PolarHBondContact NE2-NE2 3.1Å; Q57-T72 PolarHBondContact N-O 3.12Å; Q57-T72 PolarHBondContact O-N 2.99Å
58	L	60.3	Low	55.5	Low	39 Å²	39	65.7 Å²	65.7	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.1	170.4	-71.8	166.7	0	0	0	109.1	V50 I69 S70 K71 Y100 V103	V50-L58 HydrophobicContact CG2-CD1 4.15Å; L58-I69 HydrophobicContact CD2-CG2 4.32Å; L58-S70 WeakPolarHBondContact CA-O 3.24Å; L58-K71 HydrophobicContact CD2-CB 4.07Å; L58-K71 HydrophobicContact CD2-CG 4.3Å; L58-Y100 HydrophobicContact CD1-CD2 4.19Å; L58-Y100 HydrophobicContact CD1-CE2 4Å; L58-V103 HydrophobicContact CD2-CG1 3.53Å
59	T	62.2	Low	56.3	Low	9 Å²	9	59.7 Å²	59.7	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.5	174.1	-60	0	0	0	0	109.1	H28 I61 I69 S70	H28-T59 HydrophobicContact CB-CG2 4.3Å; T59-I61 HydrophobicContact CG2-CD1 4.25Å; T59-I61 HydrophobicContact CG2-CG1 4.09Å; T59-I69 CarbonylContact O-C 3.59Å; T59-I69 VanDerWaalsContact O-CA 3.29Å; T59-I69 WeakPolarHBondContact O-CA 3.48Å; T59-S70 WeakPolarHBondContact CB-OG 3.45Å; T59-S70 PolarHBondContact N-O 2.87Å; T59-S70 PolarHBondContact O-N 2.83Å; T59-S70 PolarHBondContact O-OG 3.29Å
60	H	62	Low	57.5	Low	10 Å²	10	52.3 Å²	52.3	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.6	175.9	-63.8	90.5	0	0	0	109.6	H68 I69 Y96	H60-H68 CarbonylContact C-O 3.53Å; H60-H68 WeakPolarHBondContact CA-O 3.45Å; H60-I69 WeakPolarHBondContact CD2-CD1 3Å; H60-I69 VanDerWaalsContact CD2-CG1 3.49Å; H60-I69 WeakPolarHBondContact CD2-CG1 3.47Å; H60-Y96 AromaticContact NE2-CE2 3.65Å
61	I	63.7	Low	59	Low	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.6	179.9	-63.8	176.9	0	0	0	108.4	H28 Y32 H41 T59 V67 H68	H28-I61 HydrophobicContact CB-CD1 3.43Å; H28-I61 VanDerWaalsContact CB-CD1 3.43Å; Y32-I61 HydrophobicContact CD2-CD1 3.89Å; Y32-I61 HydrophobicContact CG-CD1 4.43Å; H41-I61 WeakPolarHBondContact CE1-CG2 3.49Å; T59-I61 HydrophobicContact CG2-CD1 4.25Å; T59-I61 HydrophobicContact CG2-CG1 4.09Å; I61-V67 CarbonylContact O-C 3.58Å; I61-V67 WeakPolarHBondContact O-CA 3.44Å; I61-H68 HydrophobicContact CB-CB 4.11Å; I61-H68 PolarHBondContact N-O 2.79Å; I61-H68 PolarHBondContact O-N 3.09Å
62	H	62.7	Low	60.3	Low	51 Å²	51	39.1 Å²	39.1	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	175.6	-66.6	-98.2	0	0	0	109.8	Q42	Q42-H62 PolarHBondContact N-O 2.75Å; Q42-H62 PolarHBondContact O-N 3.44Å
63	C	62	Low	61.4	Low	6 Å²	6	33 Å²	33	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	106.3	172.3	164.8	0	0	0	0	108.5	C36 E39 G65 H66	C36-C63 HydrophobicContact CB-CB 3.95Å; C36-C63 WeakPolarHBondContact CB-SG 3.49Å; C36-C63 WeakPolarHBondContact SG-CB 3.41Å; C36-C63 CovalentContact SG-SG 2Å; C36-C63 PolarHBondContact SG-SG 2.84Å; E39-C63 PolarHBondContact OE2-SG 3.31Å; C63-G65 PolarHBondContact O-N 3.46Å; C63-G65 VanDerWaalsContact O-N 3.1Å; C63-H66 CarbonylContact C-O 3.43Å; C63-H66 PolarHBondContact N-O 3.45Å; C63-H66 CarbonylContact O-C 3.59Å; C63-H66 WeakPolarHBondContact O-CA 3.28Å; C63-H66 WeakPolarHBondContact O-CB 3.39Å; C63-H66 PolarHBondContact O-N 2.9Å; C63-H66 VanDerWaalsContact O-O 3.08Å
64	G	67.4	Low	62.3	Low	39 Å²	39	31 Å²	31	40%	0.402	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-114.6	179.9	0	0	0	0	0	113.3	E39 H66	E39-G64 WeakPolarHBondContact OE2-CA 3.46Å; E39-G64 PolarHBondContact OE2-N 3.31Å; G64-H66 VanDerWaalsContact C-N 3.26Å; G64-H66 PolarHBondContact O-N 3Å
65	G	67.6	Low	62.6	Low	34 Å²	34	25.2 Å²	25.2	35%	0.351	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.4	178.8	0	0	0	0	0	115.4	C63 P91 I92	C63-G65 PolarHBondContact O-N 3.46Å; C63-G65 VanDerWaalsContact O-N 3.1Å; G65-P91 CarbonylContact O-C 3.56Å; G65-P91 WeakPolarHBondContact O-CA 3.34Å; G65-I92 PolarHBondContact O-N 2.97Å
66	H	66.3	Low	62.5	Low	78 Å²	78	25.8 Å²	25.8	36%	0.361	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.2	-171.4	-55.7	90.2	0	0	0	113.2	C63 G64 I89 L90	C63-H66 CarbonylContact C-O 3.43Å; C63-H66 PolarHBondContact N-O 3.45Å; C63-H66 CarbonylContact O-C 3.59Å; C63-H66 WeakPolarHBondContact O-CA 3.28Å; C63-H66 WeakPolarHBondContact O-CB 3.39Å; C63-H66 PolarHBondContact O-N 2.9Å; C63-H66 VanDerWaalsContact O-O 3.08Å; G64-H66 VanDerWaalsContact C-N 3.26Å; G64-H66 PolarHBondContact O-N 3Å; H66-I89 HydrophobicContact CB-CG2 3.76Å; H66-L90 CarbonylContact C-O 3.47Å; H66-L90 WeakPolarHBondContact CA-O 3.31Å
67	V	66.3	Low	62.7	Low	16 Å²	16	27.7 Å²	27.7	10%	0.097	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.6	172.9	-175.7	0	0	0	0	106.8	I61 I69 I89 L90 I92	I61-V67 CarbonylContact O-C 3.58Å; I61-V67 WeakPolarHBondContact O-CA 3.44Å; V67-I69 HydrophobicContact CG1-CD1 4.01Å; V67-I69 HydrophobicContact CG1-CG1 3.74Å; V67-I89 WeakPolarHBondContact O-CA 3.5Å; V67-L90 PolarHBondContact N-O 3.25Å; V67-L90 PolarHBondContact O-N 3.29Å; V67-I92 HydrophobicContact CG2-CB 4.2Å; V67-I92 HydrophobicContact CG2-CG1 4.01Å
68	H	67.3	Low	62.4	Low	4 Å²	4	31.3 Å²	31.3	2%	0.019	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.1	167.4	166.6	-98.9	0	0	0	110	Y32 H60 I61 S70 S87 F88 I89	Y32-H68 HydrophobicContact CD1-CB 3.78Å; Y32-H68 AromaticContact CD1-CD2 3.97Å; Y32-H68 AromaticContact CD1-CG 3.56Å; Y32-H68 AromaticContact CD2-CE1 3.7Å; Y32-H68 AromaticContact CD2-CG 3.76Å; Y32-H68 AromaticContact CD2-ND1 3.37Å; Y32-H68 WeakPolarHBondContact CD2-ND1 3.25Å; Y32-H68 HydrophobicContact CE1-CB 3.85Å; Y32-H68 AromaticContact CE1-CD2 3.16Å; Y32-H68 WeakPolarHBondContact CE1-CD2 3.31Å; Y32-H68 AromaticContact CE1-CG 3.25Å; Y32-H68 AromaticContact CE1-ND1 3.84Å; Y32-H68 AromaticContact CE1-NE2 3.73Å; Y32-H68 AromaticContact CE2-CD2 3.65Å; Y32-H68 AromaticContact CE2-CE1 3.03Å; Y32-H68 WeakPolarHBondContact CE2-CE1 3.03Å; Y32-H68 AromaticContact CE2-CG 3.55Å; Y32-H68 AromaticContact CE2-ND1 3.19Å; Y32-H68 WeakPolarHBondContact CE2-ND1 3.36Å; Y32-H68 AromaticContact CE2-NE2 3.36Å; Y32-H68 WeakPolarHBondContact CE2-NE2 3.19Å; Y32-H68 HydrophobicContact CG-CB 4.19Å; Y32-H68 AromaticContact CG-CG 3.85Å; Y32-H68 AromaticContact CG-ND1 3.88Å; Y32-H68 AromaticContact CZ-CD2 3.03Å; Y32-H68 AromaticContact CZ-CE1 3.27Å; Y32-H68 AromaticContact CZ-CG 3.31Å; Y32-H68 AromaticContact CZ-ND1 3.47Å; Y32-H68 AromaticContact CZ-NE2 3.03Å; Y32-H68 PolarHBondContact OH-CD2 3.47Å; Y32-H68 PolarHBondContact OH-CE1 3Å; Y32-H68 PolarHBondContact OH-NE2 2.99Å; H60-H68 CarbonylContact C-O 3.53Å; H60-H68 WeakPolarHBondContact CA-O 3.45Å; I61-H68 HydrophobicContact CB-CB 4.11Å; I61-H68 PolarHBondContact N-O 2.79Å; I61-H68 PolarHBondContact O-N 3.09Å; H68-S70 PolarHBondContact CE1-OG 2.98Å; H68-S70 VanDerWaalsContact CE1-OG 3.31Å; H68-S87 WeakPolarHBondContact NE2-CB 3.29Å; H68-F88 CarbonylContact C-O 3.41Å; H68-F88 WeakPolarHBondContact CA-O 3.31Å; H68-F88 PolarHBondContact CD2-O 3.41Å; H68-F88 VanDerWaalsContact CD2-O 3.24Å; H68-I89 HydrophobicContact CB-CG1 4.36Å
69	I	66	Low	61.9	Low	1 Å²	1	33 Å²	33	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.9	179	-50.9	-178.4	0	0	0	109.8	L58 T59 H60 V67 S87 F88 L90 T99 V103	L58-I69 HydrophobicContact CD2-CG2 4.32Å; T59-I69 CarbonylContact O-C 3.59Å; T59-I69 VanDerWaalsContact O-CA 3.29Å; T59-I69 WeakPolarHBondContact O-CA 3.48Å; H60-I69 WeakPolarHBondContact CD2-CD1 3Å; H60-I69 VanDerWaalsContact CD2-CG1 3.49Å; H60-I69 WeakPolarHBondContact CD2-CG1 3.47Å; V67-I69 HydrophobicContact CG1-CD1 4.01Å; V67-I69 HydrophobicContact CG1-CG1 3.74Å; I69-S87 CarbonylContact O-C 3.52Å; I69-S87 VanDerWaalsContact O-CA 3.26Å; I69-S87 WeakPolarHBondContact O-CA 3.34Å; I69-F88 PolarHBondContact N-O 2.72Å; I69-F88 PolarHBondContact O-N 3Å; I69-L90 HydrophobicContact CD1-CD1 4.48Å; I69-T99 HydrophobicContact CD1-CG2 2.83Å; I69-T99 HydrophobicContact CG1-CG2 4.24Å; I69-V103 HydrophobicContact CB-CG2 3.79Å; I69-V103 HydrophobicContact CD1-CG2 4.44Å; I69-V103 HydrophobicContact CG2-CB 4.42Å; I69-V103 HydrophobicContact CG2-CG1 4.23Å; I69-V103 HydrophobicContact CG2-CG2 3.47Å; I69-V103 VanDerWaalsContact CG2-CG2 3.47Å
70	S	66.6	Low	61.2	Low	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.1	177	45	0	0	0	0	111.4	H28 L58 T59 H68 S86	H28-S70 VanDerWaalsContact CE1-CB 3.43Å; H28-S70 WeakPolarHBondContact CE1-CB 3Å; H28-S70 PolarHBondContact CE1-OG 3.04Å; H28-S70 PolarHBondContact ND1-OG 3.43Å; H28-S70 PolarHBondContact NE2-OG 3.45Å; L58-S70 WeakPolarHBondContact CA-O 3.24Å; T59-S70 WeakPolarHBondContact CB-OG 3.45Å; T59-S70 PolarHBondContact N-O 2.87Å; T59-S70 PolarHBondContact O-N 2.83Å; T59-S70 PolarHBondContact O-OG 3.29Å; H68-S70 PolarHBondContact CE1-OG 2.98Å; H68-S70 VanDerWaalsContact CE1-OG 3.31Å; S70-S86 WeakPolarHBondContact CA-O 3.5Å
71	K	67.5	Low	60.5	Low	10 Å²	10	39.4 Å²	39.4	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.6	168.3	-171.4	179.2	178.3	-165.6	0	109.2	H56 L58 Y73 I84 Y85 S86 V103 I107	H56-K71 VanDerWaalsContact CD2-CE 3.47Å; H56-K71 WeakPolarHBondContact CD2-CE 3.36Å; H56-K71 PolarHBondContact CD2-NZ 3.36Å; H56-K71 PolarHBondContact NE2-NZ 3.48Å; L58-K71 HydrophobicContact CD2-CB 4.07Å; L58-K71 HydrophobicContact CD2-CG 4.3Å; K71-Y73 HydrophobicContact CD-CE2 3.65Å; K71-Y73 HydrophobicContact CG-CD2 4.35Å; K71-Y73 HydrophobicContact CG-CE2 3.94Å; K71-Y73 VanDerWaalsContact NZ-CZ 3.27Å; K71-Y73 PolarHBondContact NZ-OH 2.89Å; K71-I84 WeakPolarHBondContact O-CA 3.29Å; K71-Y85 PolarHBondContact O-N 3.27Å; K71-S86 PolarHBondContact N-O 2.91Å; K71-S86 VanDerWaalsContact N-O 3.09Å; K71-V103 HydrophobicContact CB-CG1 3.78Å; K71-I107 HydrophobicContact CD-CD1 3.77Å; K71-I107 HydrophobicContact CD-CG1 4.12Å
72	T	63.7	Low	60.1	Low	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.3	-176.6	-41.3	0	0	0	0	109.2	I24 Q57 L82 Y83 I84	I24-T72 HydrophobicContact CD1-CG2 4.17Å; I24-T72 HydrophobicContact CG2-CG2 4.17Å; Q57-T72 PolarHBondContact N-O 3.12Å; Q57-T72 PolarHBondContact O-N 2.99Å; T72-L82 HydrophobicContact CG2-CD1 3.17Å; T72-L82 HydrophobicContact CG2-CD2 3.41Å; T72-L82 VanDerWaalsContact CG2-CD2 3.41Å; T72-L82 HydrophobicContact CG2-CG 3.26Å; T72-Y83 WeakPolarHBondContact CA-O 3.36Å; T72-I84 HydrophobicContact CG2-CG1 4.06Å
73	Y	61.6	Low	59.6	Low	21 Å²	21	41.1 Å²	41.1	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.7	178.5	-73.5	-113.3	0	0	0	108.8	H56 K71 L82 Y83 Y85 I107	H56-Y73 AromaticContact CE1-CD1 3.27Å; H56-Y73 WeakPolarHBondContact CE1-CD1 3.49Å; H56-Y73 AromaticContact CE1-CE1 3.14Å; H56-Y73 WeakPolarHBondContact CE1-CE1 3.33Å; H56-Y73 AromaticContact CE1-CZ 3.88Å; H56-Y73 AromaticContact ND1-CD1 3.56Å; H56-Y73 AromaticContact ND1-CE1 3.75Å; H56-Y73 AromaticContact ND1-CG 3.96Å; H56-Y73 AromaticContact NE2-CE1 3.86Å; K71-Y73 HydrophobicContact CD-CE2 3.65Å; K71-Y73 HydrophobicContact CG-CD2 4.35Å; K71-Y73 HydrophobicContact CG-CE2 3.94Å; K71-Y73 VanDerWaalsContact NZ-CZ 3.27Å; K71-Y73 PolarHBondContact NZ-OH 2.89Å; Y73-L82 CarbonylContact O-C 3.58Å; Y73-L82 VanDerWaalsContact O-CA 3.29Å; Y73-L82 WeakPolarHBondContact O-CA 3.22Å; Y73-L82 WeakPolarHBondContact O-CD1 3.3Å; Y73-Y83 PolarHBondContact N-O 2.89Å; Y73-Y83 PolarHBondContact O-N 2.81Å; Y73-Y85 HydrophobicContact CD2-CD2 4.33Å; Y73-Y85 HydrophobicContact CD2-CG 4.34Å; Y73-Y85 AromaticContact CE2-CD2 3.96Å; Y73-Y85 HydrophobicContact CE2-CD2 3.96Å; Y73-Y85 AromaticContact CE2-CG 3.73Å; Y73-Y85 HydrophobicContact CE2-CG 3.73Å; Y73-I107 WeakPolarHBondContact OH-CG1 3.23Å; Y73-I107 WeakPolarHBondContact OH-CG2 3.4Å
74	V	57.9	Low	59.4	Low	15 Å²	15	41.1 Å²	41.1	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.1	174.2	-175.5	0	0	0	0	107.3	D55 T76 L82	D55-V74 PolarHBondContact O-N 3.34Å; V74-T76 HydrophobicContact CG1-CG2 4.49Å; V74-T76 PolarHBondContact O-N 2.95Å; V74-T76 VanDerWaalsContact O-N 3.15Å; V74-L82 HydrophobicContact CB-CD1 4.25Å; V74-L82 HydrophobicContact CG2-CD1 3.51Å
75	N	55.5	Low	59.1	Low	50 Å²	50	40.8 Å²	40.8	27%	0.267	23%	0.227	S	C	.	.			trans	-76.2	102.3	169.6	-174.4	-18.3	0	0	0	108.8	S77 S79 L81	N75-S77 VanDerWaalsContact C-N 3.27Å; N75-S77 PolarHBondContact O-N 3.4Å; N75-S77 WeakPolarHBondContact OD1-CA 3.42Å; N75-S77 WeakPolarHBondContact OD1-CB 3.43Å; N75-S77 PolarHBondContact OD1-N 3.48Å; N75-S77 PolarHBondContact OD1-OG 2.94Å; N75-S79 PolarHBondContact O-N 3.12Å; N75-L81 HydrophobicContact CB-CB 4.13Å; N75-L81 WeakPolarHBondContact CB-O 3.43Å; N75-L81 PolarHBondContact N-O 3.19Å
76	T	52.7	Low	58.6	Low	75 Å²	75	39.4 Å²	39.4	46%	0.46	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.1	178.9	44.7	0	0	0	0	113.1	D55 V74 N78	D55-T76 WeakPolarHBondContact OD1-CG2 3.21Å; D55-T76 PolarHBondContact OD1-OG1 3.3Å; D55-T76 VanDerWaalsContact OD1-OG1 3.04Å; V74-T76 HydrophobicContact CG1-CG2 4.49Å; V74-T76 PolarHBondContact O-N 2.95Å; V74-T76 VanDerWaalsContact O-N 3.15Å; T76-N78 VanDerWaalsContact C-N 3.33Å; T76-N78 PolarHBondContact O-N 2.79Å
77	S	58.7	Low	58.4	Low	99 Å²	99	35.7 Å²	35.7	69%	0.692	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.2	178.6	-38.1	0	0	0	0	113	N75	N75-S77 VanDerWaalsContact C-N 3.27Å; N75-S77 PolarHBondContact O-N 3.4Å; N75-S77 WeakPolarHBondContact OD1-CA 3.42Å; N75-S77 WeakPolarHBondContact OD1-CB 3.43Å; N75-S77 PolarHBondContact OD1-N 3.48Å; N75-S77 PolarHBondContact OD1-OG 2.94Å
78	N	51.4	Low	58.3	Low	100 Å²	100	35.6 Å²	35.6	54%	0.535	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	3.3	-174.9	-75.2	-5.3	0	0	0	114.2	T76 E80	T76-N78 VanDerWaalsContact C-N 3.33Å; T76-N78 PolarHBondContact O-N 2.79Å; N78-E80 WeakPolarHBondContact O-CB 3.26Å; N78-E80 VanDerWaalsContact O-CG 3.28Å; N78-E80 WeakPolarHBondContact O-CG 3.29Å; N78-E80 PolarHBondContact O-N 2.88Å
79	S	50.5	Low	58.2	Low	75 Å²	75	36.4 Å²	36.4	52%	0.524	20%	0.198	S	C	.	.	S	Bend	trans	52.5	6.8	178.3	-60.5	0	0	0	0	117.1	N75	N75-S79 PolarHBondContact O-N 3.12Å
80	E	48.1	Very low	58.2	Low	103 Å²	103	36.5 Å²	36.5	48%	0.481	20%	0.198	S	C	.	.	S	Bend	trans	-130.6	-21.3	-164.8	-72.8	-178.8	161.8	0	0	114.3	F12 N78	F12-E80 PolarHBondContact N-O 3.07Å; N78-E80 WeakPolarHBondContact O-CB 3.26Å; N78-E80 VanDerWaalsContact O-CG 3.28Å; N78-E80 WeakPolarHBondContact O-CG 3.29Å; N78-E80 PolarHBondContact O-N 2.88Å
81	L	47.4	Very low	58.3	Low	50 Å²	50	39.2 Å²	39.2	26%	0.262	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.7	-172	-85.1	152.5	0	0	0	112	E11 N75 Y83	E11-L81 HydrophobicContact CG-CD2 4.34Å; N75-L81 HydrophobicContact CB-CB 4.13Å; N75-L81 WeakPolarHBondContact CB-O 3.43Å; N75-L81 PolarHBondContact N-O 3.19Å; L81-Y83 HydrophobicContact CB-CE2 3.97Å; L81-Y83 HydrophobicContact CD2-CE2 4.24Å
82	L	54	Low	58.3	Low	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.8	174.9	-168.9	78.9	0	0	0	109.9	C10 F12 H20 I24 T72 Y73 V74	C10-L82 WeakPolarHBondContact O-CB 3.45Å; F12-L82 HydrophobicContact CD2-CB 4.28Å; F12-L82 HydrophobicContact CD2-CD2 3.77Å; F12-L82 HydrophobicContact CE2-CD2 3.5Å; H20-L82 WeakPolarHBondContact NE2-CD1 3.14Å; I24-L82 HydrophobicContact CD1-CD1 3.61Å; I24-L82 HydrophobicContact CD1-CD2 3.53Å; I24-L82 HydrophobicContact CD1-CG 4.18Å; I24-L82 HydrophobicContact CG1-CD1 4.47Å; I24-L82 HydrophobicContact CG1-CD2 3.42Å; I24-L82 VanDerWaalsContact CG1-CD2 3.42Å; T72-L82 HydrophobicContact CG2-CD1 3.17Å; T72-L82 HydrophobicContact CG2-CD2 3.41Å; T72-L82 VanDerWaalsContact CG2-CD2 3.41Å; T72-L82 HydrophobicContact CG2-CG 3.26Å; Y73-L82 CarbonylContact O-C 3.58Å; Y73-L82 VanDerWaalsContact O-CA 3.29Å; Y73-L82 WeakPolarHBondContact O-CA 3.22Å; Y73-L82 WeakPolarHBondContact O-CD1 3.3Å; V74-L82 HydrophobicContact CB-CD1 4.25Å; V74-L82 HydrophobicContact CG2-CD1 3.51Å
83	Y	53.3	Low	58.6	Low	86 Å²	86	49.8 Å²	49.8	34%	0.337	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.1	173.9	-61.3	-96.2	0	0	0	109.5	H9 T72 Y73 L81 Y85	H9-Y83 AromaticContact CE1-CD1 3.3Å; H9-Y83 WeakPolarHBondContact CE1-CD1 3.26Å; H9-Y83 AromaticContact CE1-CE1 3.44Å; H9-Y83 VanDerWaalsContact CE1-CE1 3.44Å; H9-Y83 WeakPolarHBondContact CE1-CE1 3.35Å; H9-Y83 AromaticContact ND1-CD1 3.29Å; H9-Y83 VanDerWaalsContact ND1-CD1 3.29Å; H9-Y83 WeakPolarHBondContact ND1-CD1 3.48Å; H9-Y83 AromaticContact ND1-CE1 3.39Å; H9-Y83 WeakPolarHBondContact ND1-CE1 3.29Å; T72-Y83 WeakPolarHBondContact CA-O 3.36Å; Y73-Y83 PolarHBondContact N-O 2.89Å; Y73-Y83 PolarHBondContact O-N 2.81Å; L81-Y83 HydrophobicContact CB-CE2 3.97Å; L81-Y83 HydrophobicContact CD2-CE2 4.24Å; Y83-Y85 PolarHBondContact O-N 3.26Å
84	I	58	Low	58.7	Low	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	106.4	167.3	-59.5	159.8	0	0	0	106.5	I8 F27 H28 K71 T72	I8-I84 HydrophobicContact CB-CB 4.37Å; I8-I84 HydrophobicContact CB-CD1 3.98Å; I8-I84 HydrophobicContact CG2-CD1 4.02Å; I8-I84 VanDerWaalsContact O-CB 3.29Å; I8-I84 WeakPolarHBondContact O-CB 3.28Å; I8-I84 PolarHBondContact O-N 3.27Å; F27-I84 HydrophobicContact CD1-CD1 4.19Å; F27-I84 HydrophobicContact CE1-CD1 3.84Å; H28-I84 VanDerWaalsContact CE1-CD1 3.47Å; H28-I84 WeakPolarHBondContact CE1-CD1 3.37Å; K71-I84 WeakPolarHBondContact O-CA 3.29Å; T72-I84 HydrophobicContact CG2-CG1 4.06Å
85	Y	60.2	Low	59.1	Low	33 Å²	33	54 Å²	54	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-34.7	-169.6	-152.7	-78.3	0	0	0	112.3	H7 K71 Y73 Y83 S106 P108 V111	H7-Y85 PolarHBondContact CD2-O 3.47Å; H7-Y85 VanDerWaalsContact CD2-O 3.27Å; H7-Y85 AromaticContact NE2-CE1 3.85Å; H7-Y85 PolarHBondContact NE2-O 2.79Å; K71-Y85 PolarHBondContact O-N 3.27Å; Y73-Y85 HydrophobicContact CD2-CD2 4.33Å; Y73-Y85 HydrophobicContact CD2-CG 4.34Å; Y73-Y85 AromaticContact CE2-CD2 3.96Å; Y73-Y85 HydrophobicContact CE2-CD2 3.96Å; Y73-Y85 AromaticContact CE2-CG 3.73Å; Y73-Y85 HydrophobicContact CE2-CG 3.73Å; Y83-Y85 PolarHBondContact O-N 3.26Å; Y85-S106 WeakPolarHBondContact CD1-O 3.38Å; Y85-S106 WeakPolarHBondContact CE1-O 3.29Å; Y85-P108 HydrophobicContact CE1-CG 3.77Å; Y85-P108 WeakPolarHBondContact OH-CD 3.47Å; Y85-P108 WeakPolarHBondContact OH-CG 3.44Å; Y85-V111 HydrophobicContact CD2-CG1 4.17Å; Y85-V111 HydrophobicContact CE2-CB 3.83Å; Y85-V111 HydrophobicContact CE2-CG1 3.77Å; Y85-V111 HydrophobicContact CE2-CG2 3.65Å
86	S	58.1	Low	59.4	Low	4 Å²	4	56.3 Å²	56.3	3%	0.028	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	143.3	-179.1	-53.4	0	0	0	0	110.9	S70 K71 F88 S106	S70-S86 WeakPolarHBondContact CA-O 3.5Å; K71-S86 PolarHBondContact N-O 2.91Å; K71-S86 VanDerWaalsContact N-O 3.09Å; S86-F88 VanDerWaalsContact CB-CE2 3.41Å; S86-S106 WeakPolarHBondContact CB-OG 3Å; S86-S106 VanDerWaalsContact OG-CB 3.31Å; S86-S106 WeakPolarHBondContact OG-CB 3.49Å; S86-S106 PolarHBondContact OG-O 2.92Å; S86-S106 PolarHBondContact OG-OG 3.15Å
87	S	62.2	Low	60	Low	1 Å²	1	58.9 Å²	58.9	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.3	175.6	58	0	0	0	0	110.3	L5 Y32 H68 I69	L5-S87 WeakPolarHBondContact CB-OG 3.09Å; L5-S87 PolarHBondContact N-O 2.79Å; L5-S87 PolarHBondContact O-OG 3.41Å; Y32-S87 VanDerWaalsContact OH-CB 3.31Å; Y32-S87 WeakPolarHBondContact OH-CB 3.16Å; Y32-S87 PolarHBondContact OH-OG 3.33Å; H68-S87 WeakPolarHBondContact NE2-CB 3.29Å; I69-S87 CarbonylContact O-C 3.52Å; I69-S87 VanDerWaalsContact O-CA 3.26Å; I69-S87 WeakPolarHBondContact O-CA 3.34Å
88	F	64.7	Low	60.2	Low	13 Å²	13	58 Å²	58	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.7	-176.5	-65.6	-84.5	0	0	0	109.9	F4 H68 I69 S86 L90 A102 V103 S106	F4-F88 HydrophobicContact CD2-CE1 4.07Å; F4-F88 AromaticContact CE2-CE1 3.61Å; F4-F88 HydrophobicContact CE2-CE1 3.61Å; F4-F88 AromaticContact CE2-CZ 3.96Å; F4-F88 HydrophobicContact CE2-CZ 3.96Å; F4-F88 HydrophobicContact CZ-CE1 4.04Å; F4-F88 AromaticContact CZ-CZ 3.9Å; F4-F88 HydrophobicContact CZ-CZ 3.9Å; H68-F88 CarbonylContact C-O 3.41Å; H68-F88 WeakPolarHBondContact CA-O 3.31Å; H68-F88 PolarHBondContact CD2-O 3.41Å; H68-F88 VanDerWaalsContact CD2-O 3.24Å; I69-F88 PolarHBondContact N-O 2.72Å; I69-F88 PolarHBondContact O-N 3Å; S86-F88 VanDerWaalsContact CB-CE2 3.41Å; F88-L90 HydrophobicContact CB-CD1 4.23Å; F88-L90 HydrophobicContact CB-CG 4.14Å; F88-A102 WeakPolarHBondContact CZ-O 3.36Å; F88-V103 HydrophobicContact CD2-CB 4.21Å; F88-V103 HydrophobicContact CD2-CG2 3.51Å; F88-V103 HydrophobicContact CE2-CB 4.26Å; F88-V103 HydrophobicContact CE2-CG2 4.06Å; F88-V103 HydrophobicContact CG-CG2 4.31Å; F88-S106 VanDerWaalsContact CE2-OG 3.29Å; F88-S106 WeakPolarHBondContact CE2-OG 3.11Å; F88-S106 VanDerWaalsContact CZ-CB 3.41Å; F88-S106 WeakPolarHBondContact CZ-OG 3.14Å
89	I	65.1	Low	60.7	Low	22 Å²	22	53.7 Å²	53.7	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.4	165.2	-56.3	179	0	0	0	107.5	L5 Y32 I35 H66 V67 H68	L5-I89 HydrophobicContact CD1-CD1 3.47Å; L5-I89 VanDerWaalsContact CD1-CD1 3.47Å; L5-I89 HydrophobicContact CD1-CG1 3.89Å; Y32-I89 HydrophobicContact CD1-CD1 4.35Å; Y32-I89 HydrophobicContact CE1-CD1 3.94Å; Y32-I89 HydrophobicContact CE1-CG1 4.03Å; I35-I89 HydrophobicContact CD1-CD1 4.24Å; I35-I89 HydrophobicContact CG2-CD1 3.85Å; H66-I89 HydrophobicContact CB-CG2 3.76Å; V67-I89 WeakPolarHBondContact O-CA 3.5Å; H68-I89 HydrophobicContact CB-CG1 4.36Å
90	L	66.1	Low	61.2	Low	3 Å²	3	53.9 Å²	53.9	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.2	-173.8	-66.1	171.3	0	0	0	109.4	F2 H66 V67 I69 F88 I94 T99	F2-L90 HydrophobicContact CD1-CD2 3.69Å; F2-L90 HydrophobicContact CE1-CD2 3.67Å; H66-L90 CarbonylContact C-O 3.47Å; H66-L90 WeakPolarHBondContact CA-O 3.31Å; V67-L90 PolarHBondContact N-O 3.25Å; V67-L90 PolarHBondContact O-N 3.29Å; I69-L90 HydrophobicContact CD1-CD1 4.48Å; F88-L90 HydrophobicContact CB-CD1 4.23Å; F88-L90 HydrophobicContact CB-CG 4.14Å; L90-I94 HydrophobicContact CB-CD1 4.13Å; L90-I94 HydrophobicContact CD2-CD1 3.95Å; L90-T99 HydrophobicContact CD1-CG2 3.73Å
91	P	67.1	Low	61.9	Low	57 Å²	57	55.9 Å²	55.9	37%	0.37	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	141.3	167.8	-25.5	31.9	0	0	0	111.8	G65 N93 I94	G65-P91 CarbonylContact O-C 3.56Å; G65-P91 WeakPolarHBondContact O-CA 3.34Å; P91-N93 PolarHBondContact O-N 3.26Å; P91-I94 HydrophobicContact CB-CG1 4.35Å; P91-I94 HydrophobicContact CG-CD1 4.33Å; P91-I94 WeakPolarHBondContact O-CB 3.47Å; P91-I94 WeakPolarHBondContact O-CG1 3.42Å; P91-I94 PolarHBondContact O-N 3.01Å
92	I	68.3	Low	62.6	Low	82 Å²	82	54.6 Å²	54.6	42%	0.421	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.5	-178.1	-164.6	163.2	0	0	0	113.7	G65 V67 I94	G65-I92 PolarHBondContact O-N 2.97Å; V67-I92 HydrophobicContact CG2-CB 4.2Å; V67-I92 HydrophobicContact CG2-CG1 4.01Å; I92-I94 VanDerWaalsContact C-N 3.26Å; I92-I94 PolarHBondContact O-N 3.46Å
93	N	69.2	Low	62.9	Low	150 Å²	150	54.6 Å²	54.6	80%	0.802	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	2.4	178.9	-61.8	-24.1	0	0	0	113.4	P91	P91-N93 PolarHBondContact O-N 3.26Å
94	I	64.8	Low	63.4	Low	42 Å²	42	56.2 Å²	56.2	22%	0.215	28%	0.283	C	S	.	.	S	Bend	trans	-81.8	127.7	175.4	-62.2	-172.2	0	0	0	109.1	L90 P91 I92 V98 T99	L90-I94 HydrophobicContact CB-CD1 4.13Å; L90-I94 HydrophobicContact CD2-CD1 3.95Å; P91-I94 HydrophobicContact CB-CG1 4.35Å; P91-I94 HydrophobicContact CG-CD1 4.33Å; P91-I94 WeakPolarHBondContact O-CB 3.47Å; P91-I94 WeakPolarHBondContact O-CG1 3.42Å; P91-I94 PolarHBondContact O-N 3.01Å; I92-I94 VanDerWaalsContact C-N 3.26Å; I92-I94 PolarHBondContact O-N 3.46Å; I94-V98 HydrophobicContact CG2-CB 3.72Å; I94-V98 HydrophobicContact CG2-CG1 3.64Å; I94-T99 VanDerWaalsContact CG2-OG1 3.31Å; I94-T99 WeakPolarHBondContact CG2-OG1 3.29Å
95	P	65.9	Low	63.4	Low	81 Å²	81	59.3 Å²	59.3	53%	0.526	31%	0.305	S	S	.	.			trans	-53	142.8	176.3	-25.6	33.5	0	0	0	112.3	D97 V98 T99	P95-D97 PolarHBondContact O-N 3.27Å; P95-V98 HydrophobicContact CB-CG2 4.18Å; P95-V98 HydrophobicContact CG-CG2 4.33Å; P95-V98 PolarHBondContact O-N 2.94Å; P95-V98 VanDerWaalsContact O-N 3.12Å; P95-T99 WeakPolarHBondContact O-CB 3.39Å; P95-T99 PolarHBondContact O-N 3.22Å; P95-T99 VanDerWaalsContact O-N 3.12Å; P95-T99 PolarHBondContact O-OG1 2.68Å
96	Y	62.5	Low	63.4	Low	100 Å²	100	58.6 Å²	58.6	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-56.8	-34.4	-178.3	-174.8	-94.8	0	0	0	112.6	H60 T99 Y100	H60-Y96 AromaticContact NE2-CE2 3.65Å; Y96-T99 VanDerWaalsContact O-CB 3.3Å; Y96-T99 WeakPolarHBondContact O-CB 3.3Å; Y96-T99 PolarHBondContact O-N 3.41Å; Y96-Y100 VanDerWaalsContact O-CB 3.26Å; Y96-Y100 WeakPolarHBondContact O-CB 2.96Å; Y96-Y100 PolarHBondContact O-N 2.82Å
97	D	64.7	Low	63.3	Low	128 Å²	128	60 Å²	60	68%	0.684	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-39.3	179.4	-57.9	-31.1	0	0	0	112.6	P95 T99 Y100 F101	P95-D97 PolarHBondContact O-N 3.27Å; D97-T99 VanDerWaalsContact C-N 3.32Å; D97-Y100 PolarHBondContact O-N 3.48Å; D97-F101 VanDerWaalsContact O-CB 3.29Å; D97-F101 WeakPolarHBondContact O-CB 3.23Å; D97-F101 PolarHBondContact O-N 3.26Å
98	V	61.9	Low	62.9	Low	81 Å²	81	62.3 Å²	62.3	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-42.6	176.8	176.3	0	0	0	0	110.1	I94 P95 F101 A102	I94-V98 HydrophobicContact CG2-CB 3.72Å; I94-V98 HydrophobicContact CG2-CG1 3.64Å; P95-V98 HydrophobicContact CB-CG2 4.18Å; P95-V98 HydrophobicContact CG-CG2 4.33Å; P95-V98 PolarHBondContact O-N 2.94Å; P95-V98 VanDerWaalsContact O-N 3.12Å; V98-F101 PolarHBondContact O-N 2.94Å; V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 3.32Å
99	T	62.1	Low	62.2	Low	9 Å²	9	67.6 Å²	67.6	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-45.2	178.3	-69.1	0	0	0	0	111.4	I69 L90 I94 P95 Y96 D97 V103	I69-T99 HydrophobicContact CD1-CG2 2.83Å; I69-T99 HydrophobicContact CG1-CG2 4.24Å; L90-T99 HydrophobicContact CD1-CG2 3.73Å; I94-T99 VanDerWaalsContact CG2-OG1 3.31Å; I94-T99 WeakPolarHBondContact CG2-OG1 3.29Å; P95-T99 WeakPolarHBondContact O-CB 3.39Å; P95-T99 PolarHBondContact O-N 3.22Å; P95-T99 VanDerWaalsContact O-N 3.12Å; P95-T99 PolarHBondContact O-OG1 2.68Å; Y96-T99 VanDerWaalsContact O-CB 3.3Å; Y96-T99 WeakPolarHBondContact O-CB 3.3Å; Y96-T99 PolarHBondContact O-N 3.41Å; D97-T99 VanDerWaalsContact C-N 3.32Å; T99-V103 VanDerWaalsContact O-CG2 3.22Å; T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 3.45Å
100	Y	62.1	Low	61.5	Low	80 Å²	80	73.7 Å²	73.7	31%	0.314	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-45.6	173	-179.5	-92.8	0	0	0	111.6	L58 Y96 D97 A102 V103 Y104	L58-Y100 HydrophobicContact CD1-CD2 4.19Å; L58-Y100 HydrophobicContact CD1-CE2 4Å; Y96-Y100 VanDerWaalsContact O-CB 3.26Å; Y96-Y100 WeakPolarHBondContact O-CB 2.96Å; Y96-Y100 PolarHBondContact O-N 2.82Å; D97-Y100 PolarHBondContact O-N 3.48Å; Y100-A102 PolarHBondContact O-N 2.96Å; Y100-V103 PolarHBondContact O-N 3.37Å; Y100-Y104 WeakPolarHBondContact O-CB 3.33Å; Y100-Y104 PolarHBondContact O-N 2.97Å
101	F	61.7	Low	60.6	Low	145 Å²	145	78.8 Å²	78.8	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-61.4	-41.7	178.2	-174.5	-95.1	0	0	0	112.1	D97 V98 V103 Y104 S105	D97-F101 VanDerWaalsContact O-CB 3.29Å; D97-F101 WeakPolarHBondContact O-CB 3.23Å; D97-F101 PolarHBondContact O-N 3.26Å; V98-F101 PolarHBondContact O-N 2.94Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 3.31Å; F101-Y104 PolarHBondContact O-N 3.46Å; F101-S105 VanDerWaalsContact O-CB 3.23Å; F101-S105 WeakPolarHBondContact O-CB 3Å; F101-S105 PolarHBondContact O-N 2.79Å; F101-S105 PolarHBondContact O-OG 3.29Å
102	A	62.3	Low	60.3	Low	22 Å²	22	79.9 Å²	79.9	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-59.6	-41.1	175.8	0	0	0	0	0	112.3	F88 V98 Y100 S105 S106	F88-A102 WeakPolarHBondContact CZ-O 3.36Å; V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 3.32Å; Y100-A102 PolarHBondContact O-N 2.96Å; A102-S105 PolarHBondContact O-OG 3.41Å; A102-S106 PolarHBondContact O-N 3.41Å; A102-S106 PolarHBondContact O-OG 2.99Å
103	V	61.6	Low	59.8	Low	3 Å²	3	79.8 Å²	79.8	2%	0.018	43%	0.43	C	S	.	.	H	α-helix	trans	-74.9	-31.3	-179.5	179.8	0	0	0	0	112.3	L58 I69 K71 F88 T99 Y100 F101 S106	L58-V103 HydrophobicContact CD2-CG1 3.53Å; I69-V103 HydrophobicContact CB-CG2 3.79Å; I69-V103 HydrophobicContact CD1-CG2 4.44Å; I69-V103 HydrophobicContact CG2-CB 4.42Å; I69-V103 HydrophobicContact CG2-CG1 4.23Å; I69-V103 HydrophobicContact CG2-CG2 3.47Å; I69-V103 VanDerWaalsContact CG2-CG2 3.47Å; K71-V103 HydrophobicContact CB-CG1 3.78Å; F88-V103 HydrophobicContact CD2-CB 4.21Å; F88-V103 HydrophobicContact CD2-CG2 3.51Å; F88-V103 HydrophobicContact CE2-CB 4.26Å; F88-V103 HydrophobicContact CE2-CG2 4.06Å; F88-V103 HydrophobicContact CG-CG2 4.31Å; T99-V103 VanDerWaalsContact O-CG2 3.22Å; T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 3.45Å; Y100-V103 PolarHBondContact O-N 3.37Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 3.31Å; V103-S106 PolarHBondContact O-OG 3.24Å
104	Y	61.9	Low	59.3	Low	119 Å²	119	75.9 Å²	75.9	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-81.4	-38.4	178.7	-163.7	-89.3	0	0	0	112.2	L53 Y100 F101 S106 I107	L53-Y104 HydrophobicContact CD1-CE2 4.11Å; Y100-Y104 WeakPolarHBondContact O-CB 3.33Å; Y100-Y104 PolarHBondContact O-N 2.97Å; F101-Y104 PolarHBondContact O-N 3.46Å; Y104-S106 PolarHBondContact O-N 3.04Å; Y104-I107 HydrophobicContact CD2-CD1 4.01Å; Y104-I107 HydrophobicContact CE2-CD1 4.27Å; Y104-I107 HydrophobicContact CG-CD1 4.2Å; Y104-I107 WeakPolarHBondContact O-CB 3.27Å; Y104-I107 VanDerWaalsContact O-CD1 3.23Å; Y104-I107 WeakPolarHBondContact O-CD1 3.26Å; Y104-I107 VanDerWaalsContact O-CG1 3.26Å; Y104-I107 WeakPolarHBondContact O-CG1 3.08Å; Y104-I107 PolarHBondContact O-N 2.86Å
105	S	59.2	Low	59	Low	70 Å²	70	77.9 Å²	77.9	49%	0.49	42%	0.421	S	S	.	.	H	α-helix	trans	-71.5	-14.8	179.6	55.8	0	0	0	0	113.7	F101 A102 I107	F101-S105 VanDerWaalsContact O-CB 3.23Å; F101-S105 WeakPolarHBondContact O-CB 3Å; F101-S105 PolarHBondContact O-N 2.79Å; F101-S105 PolarHBondContact O-OG 3.29Å; A102-S105 PolarHBondContact O-OG 3.41Å; S105-I107 PolarHBondContact O-N 3.2Å
106	S	58.8	Low	58.6	Low	19 Å²	19	77.7 Å²	77.7	13%	0.133	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.8	177.1	67.1	0	0	0	0	114.3	Y85 S86 F88 A102 V103 Y104 P108	Y85-S106 WeakPolarHBondContact CD1-O 3.38Å; Y85-S106 WeakPolarHBondContact CE1-O 3.29Å; S86-S106 WeakPolarHBondContact CB-OG 3Å; S86-S106 VanDerWaalsContact OG-CB 3.31Å; S86-S106 WeakPolarHBondContact OG-CB 3.49Å; S86-S106 PolarHBondContact OG-O 2.92Å; S86-S106 PolarHBondContact OG-OG 3.15Å; F88-S106 VanDerWaalsContact CE2-OG 3.29Å; F88-S106 WeakPolarHBondContact CE2-OG 3.11Å; F88-S106 VanDerWaalsContact CZ-CB 3.41Å; F88-S106 WeakPolarHBondContact CZ-OG 3.14Å; A102-S106 PolarHBondContact O-N 3.41Å; A102-S106 PolarHBondContact O-OG 2.99Å; V103-S106 PolarHBondContact O-OG 3.24Å; Y104-S106 PolarHBondContact O-N 3.04Å; S106-P108 WeakPolarHBondContact O-CD 3.42Å
107	I	56.6	Low	58.3	Low	32 Å²	32	76.2 Å²	76.2	16%	0.164	42%	0.416	C	S	.	.	S	Bend	trans	-90.9	111.9	171.7	-54.9	163.4	0	0	0	107.7	K71 Y73 Y104 S105	K71-I107 HydrophobicContact CD-CD1 3.77Å; K71-I107 HydrophobicContact CD-CG1 4.12Å; Y73-I107 WeakPolarHBondContact OH-CG1 3.23Å; Y73-I107 WeakPolarHBondContact OH-CG2 3.4Å; Y104-I107 HydrophobicContact CD2-CD1 4.01Å; Y104-I107 HydrophobicContact CE2-CD1 4.27Å; Y104-I107 HydrophobicContact CG-CD1 4.2Å; Y104-I107 WeakPolarHBondContact O-CB 3.27Å; Y104-I107 VanDerWaalsContact O-CD1 3.23Å; Y104-I107 WeakPolarHBondContact O-CD1 3.26Å; Y104-I107 VanDerWaalsContact O-CG1 3.26Å; Y104-I107 WeakPolarHBondContact O-CG1 3.08Å; Y104-I107 PolarHBondContact O-N 2.86Å; S105-I107 PolarHBondContact O-N 3.2Å
108	P	53.5	Low	57.8	Low	51 Å²	51	72.5 Å²	72.5	33%	0.331	40%	0.397	S	S	.	.			trans	-54.3	139.2	163.2	-31.9	42.7	0	0	0	109.6	Y85 S106 D110 V111	Y85-P108 HydrophobicContact CE1-CG 3.77Å; Y85-P108 WeakPolarHBondContact OH-CD 3.47Å; Y85-P108 WeakPolarHBondContact OH-CG 3.44Å; S106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-D110 PolarHBondContact O-N 3.46Å; P108-V111 PolarHBondContact O-N 2.93Å
109	P	50.9	Low	57.5	Low	124 Å²	124	71.8 Å²	71.8	81%	0.805	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-9	-175.3	25.8	-34.6	0	0	0	114.1
110	D	51.2	Low	57.1	Low	150 Å²	150	77.1 Å²	77.1	80%	0.802	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	15.6	-170.4	-57.1	-41.9	0	0	0	114.2	P108	P108-D110 PolarHBondContact O-N 3.46Å
111	V	46	Very low	56.7	Low	110 Å²	110	76.8 Å²	76.8	67%	0.667	43%	0.427	S	S	*	.			trans	-126.9	0	177.3	-168.9	0	0	0	0	112.1	Y85 P108	Y85-V111 HydrophobicContact CD2-CG1 4.17Å; Y85-V111 HydrophobicContact CE2-CB 3.83Å; Y85-V111 HydrophobicContact CE2-CG1 3.77Å; Y85-V111 HydrophobicContact CE2-CG2 3.65Å; P108-V111 PolarHBondContact O-N 2.93Å

Retrieved 111 of 111 residues in 35.1 ms (Link to these results)

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