A0A3Q0KC79_SCHMA Loading...

Translocon-associated protein subunit beta

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KC79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.1	Low	76.3	Confident	229 Å²	229	110.1 Å²	110.1	100%	1.128	62%	0.617	S	S	*	*				0	-27.6	0	-90.4	173.4	170.8	0	0	114.5	F3	M1-F3 PolarHBondContact O-N 3.19Å
2	G	62.7	Low	76.5	Confident	62 Å²	62	113.9 Å²	113.9	64%	0.639	62%	0.617	S	S	*	*	H	α-helix	trans	-64.8	-35.7	-175.9	0	0	0	0	0	116.9	S4 F5 G6	G2-S4 VanDerWaalsContact C-N 3.32Å; G2-S4 PolarHBondContact O-N 3.34Å; G2-F5 PolarHBondContact O-N 3.49Å; G2-G6 PolarHBondContact O-N 3.2Å
3	F	66.4	Low	76.5	Confident	192 Å²	192	109.2 Å²	109.2	84%	0.842	60%	0.597	S	S	*	*	H	α-helix	trans	-63.5	-33.9	-177.8	-73.9	-76.6	0	0	0	113.9	M1 F5 G6 I7	M1-F3 PolarHBondContact O-N 3.19Å; F3-F5 VanDerWaalsContact C-N 3.33Å; F3-F5 PolarHBondContact O-N 2.95Å; F3-G6 PolarHBondContact O-N 3.33Å; F3-I7 WeakPolarHBondContact O-CG1 3.46Å; F3-I7 PolarHBondContact O-N 3.1Å
4	S	75.5	Confident	76.4	Confident	79 Å²	79	107.6 Å²	107.6	55%	0.552	59%	0.593	S	S	*	*	H	α-helix	trans	-69.9	-32.1	-179.8	-160.5	0	0	0	0	112.4	G2 L8	G2-S4 VanDerWaalsContact C-N 3.32Å; G2-S4 PolarHBondContact O-N 3.34Å; S4-L8 WeakPolarHBondContact O-CG 3.32Å; S4-L8 PolarHBondContact O-N 3.14Å
5	F	77.4	Confident	76.1	Confident	146 Å²	146	106.7 Å²	106.7	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-71.2	-39.5	178.4	-166.1	-99.4	0	0	0	111.3	G2 F3 I7 L8 L9	G2-F5 PolarHBondContact O-N 3.49Å; F3-F5 VanDerWaalsContact C-N 3.33Å; F3-F5 PolarHBondContact O-N 2.95Å; F5-I7 PolarHBondContact O-N 2.84Å; F5-L8 PolarHBondContact O-N 3.01Å; F5-L9 HydrophobicContact CD1-CD1 4.25Å; F5-L9 HydrophobicContact CE1-CD1 3.63Å; F5-L9 HydrophobicContact CZ-CD1 4.23Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 PolarHBondContact O-N 3.4Å
6	G	82.4	Confident	75.6	Confident	44 Å²	44	106.9 Å²	106.9	45%	0.454	59%	0.59	S	S	.	*	H	α-helix	trans	-61.8	-41.4	176.1	0	0	0	0	0	113.1	G2 F3 L9 A10	G2-G6 PolarHBondContact O-N 3.2Å; F3-G6 PolarHBondContact O-N 3.33Å; G6-L9 PolarHBondContact O-N 3.43Å; G6-A10 WeakPolarHBondContact O-CB 3.39Å; G6-A10 PolarHBondContact O-N 2.73Å
7	I	84.3	Confident	74.9	Confident	107 Å²	107	106.9 Å²	106.9	55%	0.549	59%	0.594	S	S	.	*	H	α-helix	trans	-65.4	-43.9	177.5	-66.3	165.1	0	0	0	111	F3 F5 L9 A10 I11	F3-I7 WeakPolarHBondContact O-CG1 3.46Å; F3-I7 PolarHBondContact O-N 3.1Å; F5-I7 PolarHBondContact O-N 2.84Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.03Å; I7-A10 PolarHBondContact O-N 3.31Å; I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.39Å; I7-I11 VanDerWaalsContact O-CG1 3.28Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.49Å
8	L	85.2	Confident	74.1	Confident	111 Å²	111	106 Å²	106	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-62.4	-39.4	177	-75.2	170.9	0	0	0	112.1	S4 F5 I11 Y12	S4-L8 WeakPolarHBondContact O-CG 3.32Å; S4-L8 PolarHBondContact O-N 3.14Å; F5-L8 PolarHBondContact O-N 3.01Å; L8-I11 PolarHBondContact O-N 2.91Å; L8-Y12 WeakPolarHBondContact O-CB 3.12Å; L8-Y12 PolarHBondContact O-N 3.46Å
9	L	85.2	Confident	73.1	Confident	99 Å²	99	104.6 Å²	104.6	52%	0.518	59%	0.593	S	S	.	*	H	α-helix	trans	-69.8	-36.5	179.2	-146.9	139.7	0	0	0	111.7	F5 G6 I7 Y12 S13	F5-L9 HydrophobicContact CD1-CD1 4.25Å; F5-L9 HydrophobicContact CE1-CD1 3.63Å; F5-L9 HydrophobicContact CZ-CD1 4.23Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 PolarHBondContact O-N 3.4Å; G6-L9 PolarHBondContact O-N 3.43Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.03Å; L9-Y12 PolarHBondContact O-N 3.04Å; L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 2.82Å
10	A	82.6	Confident	72	Confident	50 Å²	50	106.4 Å²	106.4	41%	0.413	60%	0.601	S	S	.	*	H	α-helix	trans	-66.3	-43.1	172.4	0	0	0	0	0	112.1	G6 I7 S13 V14	G6-A10 WeakPolarHBondContact O-CB 3.39Å; G6-A10 PolarHBondContact O-N 2.73Å; I7-A10 PolarHBondContact O-N 3.31Å; A10-S13 WeakPolarHBondContact CA-OG 3.49Å; A10-S13 PolarHBondContact O-N 3.41Å; A10-S13 PolarHBondContact O-OG 3.46Å; A10-V14 WeakPolarHBondContact O-CB 3.5Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.01Å
11	I	82.7	Confident	71.3	Confident	92 Å²	92	105.3 Å²	105.3	47%	0.472	60%	0.601	S	S	.	*	H	α-helix	trans	-62.9	-45.4	175.1	-67.3	166.1	0	0	0	110.1	I7 L8 S13 V14 V15	I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.39Å; I7-I11 VanDerWaalsContact O-CG1 3.28Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.49Å; L8-I11 PolarHBondContact O-N 2.91Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.18Å; I11-V14 PolarHBondContact O-N 2.75Å; I11-V15 HydrophobicContact CG2-CG2 4.29Å; I11-V15 WeakPolarHBondContact O-CB 3.44Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 3.44Å
12	Y	78.7	Confident	71.6	Confident	156 Å²	156	99.1 Å²	99.1	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-59.2	-44.3	177.8	-177.5	-100.2	0	0	0	112	L8 L9 V15 L16	L8-Y12 WeakPolarHBondContact O-CB 3.12Å; L8-Y12 PolarHBondContact O-N 3.46Å; L9-Y12 PolarHBondContact O-N 3.04Å; Y12-V15 PolarHBondContact O-N 2.89Å; Y12-L16 HydrophobicContact CE1-CD1 4.37Å; Y12-L16 WeakPolarHBondContact O-CB 3.33Å; Y12-L16 PolarHBondContact O-N 3.35Å
13	S	75.7	Confident	72.1	Confident	52 Å²	52	99.8 Å²	99.8	36%	0.364	56%	0.564	S	S	.	*	H	α-helix	trans	-70.7	-35.8	178.1	37.4	0	0	0	0	113	L9 A10 I11 L16 V17	L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 2.82Å; A10-S13 WeakPolarHBondContact CA-OG 3.49Å; A10-S13 PolarHBondContact O-N 3.41Å; A10-S13 PolarHBondContact O-OG 3.46Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.18Å; S13-L16 PolarHBondContact O-N 3.13Å; S13-V17 WeakPolarHBondContact O-CB 3.39Å; S13-V17 WeakPolarHBondContact O-CG2 3.25Å; S13-V17 PolarHBondContact O-N 3.37Å
14	V	75.3	Confident	72.8	Confident	88 Å²	88	94.4 Å²	94.4	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-41	171.4	170	0	0	0	0	111.1	A10 I11 L16 V17 S18	A10-V14 WeakPolarHBondContact O-CB 3.5Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.01Å; I11-V14 PolarHBondContact O-N 2.75Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-V17 PolarHBondContact O-N 3.48Å; V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.22Å; V14-S18 PolarHBondContact O-N 3.2Å; V14-S18 PolarHBondContact O-OG 2.92Å
15	V	72.5	Confident	73.4	Confident	94 Å²	94	90.8 Å²	90.8	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-40.3	175.6	171.5	0	0	0	0	110.8	I11 Y12 S18 S19	I11-V15 HydrophobicContact CG2-CG2 4.29Å; I11-V15 WeakPolarHBondContact O-CB 3.44Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 3.44Å; Y12-V15 PolarHBondContact O-N 2.89Å; V15-S18 PolarHBondContact O-N 2.62Å; V15-S19 PolarHBondContact O-N 3.2Å
16	L	67.6	Low	73.9	Confident	110 Å²	110	91.5 Å²	91.5	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-31.9	176.8	-151.6	87.8	0	0	0	113.1	Y12 S13 V14 S19	Y12-L16 HydrophobicContact CE1-CD1 4.37Å; Y12-L16 WeakPolarHBondContact O-CB 3.33Å; Y12-L16 PolarHBondContact O-N 3.35Å; S13-L16 PolarHBondContact O-N 3.13Å; V14-L16 VanDerWaalsContact C-N 3.34Å; L16-S19 PolarHBondContact O-OG 3.33Å
17	V	64.6	Low	74.5	Confident	107 Å²	107	90 Å²	90	65%	0.648	50%	0.499	S	S	*	.	H	α-helix	trans	-80.2	-34.9	175	168.7	0	0	0	0	111.1	S13 V14 S19 D20	S13-V17 WeakPolarHBondContact O-CB 3.39Å; S13-V17 WeakPolarHBondContact O-CG2 3.25Å; S13-V17 PolarHBondContact O-N 3.37Å; V14-V17 PolarHBondContact O-N 3.48Å; V17-S19 PolarHBondContact O-N 3.46Å; V17-D20 VanDerWaalsContact O-CB 3.3Å; V17-D20 WeakPolarHBondContact O-CB 3.39Å; V17-D20 PolarHBondContact O-N 3.43Å
18	S	58.9	Low	75	Confident	90 Å²	90	86.8 Å²	86.8	63%	0.629	49%	0.489	S	S	*	.	H	α-helix	trans	-70.1	-14.2	-179.8	-56.4	0	0	0	0	112.9	V14 V15 D20	V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.22Å; V14-S18 PolarHBondContact O-N 3.2Å; V14-S18 PolarHBondContact O-OG 2.92Å; V15-S18 PolarHBondContact O-N 2.62Å; S18-D20 PolarHBondContact O-N 3.25Å
19	S	56.7	Low	75.6	Confident	79 Å²	79	82 Å²	82	55%	0.552	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	18.1	166.6	58.2	0	0	0	0	113.5	V15 L16 V17 S21	V15-S19 PolarHBondContact O-N 3.2Å; L16-S19 PolarHBondContact O-OG 3.33Å; V17-S19 PolarHBondContact O-N 3.46Å; S19-S21 PolarHBondContact O-N 2.9Å
20	D	51.2	Low	76.2	Confident	140 Å²	140	79.3 Å²	79.3	75%	0.749	45%	0.454	S	S	*	.			trans	-69	50.5	162.5	-154.6	24	0	0	0	110.4	V17 S18 V22	V17-D20 VanDerWaalsContact O-CB 3.3Å; V17-D20 WeakPolarHBondContact O-CB 3.39Å; V17-D20 PolarHBondContact O-N 3.43Å; S18-D20 PolarHBondContact O-N 3.25Å; D20-V22 PolarHBondContact O-N 3.02Å
21	S	56.3	Low	76.9	Confident	85 Å²	85	77.2 Å²	77.2	59%	0.594	44%	0.435	S	S	*	.			trans	-55.6	128.7	164.8	60.8	0	0	0	0	106.6	S19 D23	S19-S21 PolarHBondContact O-N 2.9Å; S21-D23 PolarHBondContact O-N 3.21Å
22	V	61	Low	77.6	Confident	99 Å²	99	77.8 Å²	77.8	60%	0.6	44%	0.436	S	S	*	.			trans	-36.7	108.1	175.4	-173.6	0	0	0	0	109.5	D20 N24	D20-V22 PolarHBondContact O-N 3.02Å; V22-N24 HydrophobicContact CG1-CB 4.42Å; V22-N24 WeakPolarHBondContact CG1-ND2 3.34Å; V22-N24 PolarHBondContact O-N 3.41Å
23	D	73.6	Confident	78.5	Confident	75 Å²	75	71.3 Å²	71.3	40%	0.401	41%	0.412	S	S	.	.			trans	-69.1	61.2	-169.3	-174.6	17.6	0	0	0	111.5	S21 H54 R57	S21-D23 PolarHBondContact O-N 3.21Å; D23-H54 IonicContact OD1-CE1 2.79Å; D23-H54 PolarHBondContact OD1-CE1 3.44Å; D23-H54 IonicContact OD1-NE2 3.84Å; D23-H54 PolarHBondContact OD1-NE2 3.25Å; D23-R57 VanDerWaalsContact CG-CZ 3.46Å; D23-R57 PolarHBondContact O-NH1 3.35Å; D23-R57 IonicContact OD1-CZ 2.96Å; D23-R57 IonicContact OD1-NE 3.06Å; D23-R57 PolarHBondContact OD1-NE 2.93Å; D23-R57 IonicContact OD1-NH2 2.62Å; D23-R57 IonicContact OD2-CZ 3.42Å; D23-R57 IonicContact OD2-NE 3.29Å; D23-R57 PolarHBondContact OD2-NE 3.45Å; D23-R57 IonicContact OD2-NH1 3.64Å; D23-R57 IonicContact OD2-NH2 2.79Å; D23-R57 PolarHBondContact OD2-NH2 3.28Å
24	N	80.9	Confident	79.6	Confident	80 Å²	80	73.1 Å²	73.1	43%	0.428	42%	0.416	S	S	.	.			trans	-114.4	135.6	-175.3	-82.8	-24.4	0	0	0	109.2	V22 R26	V22-N24 HydrophobicContact CG1-CB 4.42Å; V22-N24 WeakPolarHBondContact CG1-ND2 3.34Å; V22-N24 PolarHBondContact O-N 3.41Å; N24-R26 PolarHBondContact O-N 2.89Å
25	V	88.1	Confident	80.6	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.018	40%	0.404	C	S	.	.			trans	-62.3	122.4	174	-178	0	0	0	0	109.5	L27 H54 R57 A59 Y116	V25-L27 HydrophobicContact CG1-CD2 4.33Å; V25-H54 HydrophobicContact CG1-CB 4.46Å; V25-R57 HydrophobicContact CG2-CB 3.59Å; V25-A59 HydrophobicContact CG1-CB 3.78Å; V25-Y116 HydrophobicContact CB-CE2 4.47Å; V25-Y116 HydrophobicContact CG1-CE2 4.43Å; V25-Y116 WeakPolarHBondContact O-CE2 3.06Å; V25-Y116 PolarHBondContact O-OH 2.84Å
26	R	89	Confident	81.6	Confident	161 Å²	161	75 Å²	75	61%	0.608	42%	0.415	S	S	*	.			trans	-114.7	123.1	175.7	-65	-174.8	-173.6	-155.8	1.8	109	N24 F53	N24-R26 PolarHBondContact O-N 2.89Å; R26-F53 PolarHBondContact O-N 3.3Å
27	L	94.6	Very high	82.9	Confident	11 Å²	11	73.3 Å²	73.3	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	149.3	169.9	-58.2	-175.9	0	0	0	109.3	V25 I50 Y51 N52 A59 V62 Y116 L127	V25-L27 HydrophobicContact CG1-CD2 4.33Å; L27-I50 HydrophobicContact CB-CG2 4.41Å; L27-I50 HydrophobicContact CD1-CG2 3.98Å; L27-I50 HydrophobicContact CD2-CG2 4.43Å; L27-Y51 CarbonylContact C-O 3.48Å; L27-Y51 WeakPolarHBondContact CA-O 3.5Å; L27-N52 HydrophobicContact CD2-CB 3.58Å; L27-A59 HydrophobicContact CD1-CB 3.97Å; L27-A59 HydrophobicContact CD2-CB 3.83Å; L27-A59 HydrophobicContact CG-CB 4.2Å; L27-V62 HydrophobicContact CD1-CG1 4.03Å; L27-V62 HydrophobicContact CD1-CG2 4.02Å; L27-Y116 HydrophobicContact CB-CE1 4.36Å; L27-Y116 HydrophobicContact CD1-CD1 3.74Å; L27-Y116 HydrophobicContact CD1-CD2 4.13Å; L27-Y116 HydrophobicContact CD1-CE1 4.16Å; L27-Y116 HydrophobicContact CD1-CG 3.71Å; L27-Y116 HydrophobicContact CG-CD1 4.27Å; L27-Y116 HydrophobicContact CG-CD2 4.38Å; L27-Y116 HydrophobicContact CG-CE1 4.2Å; L27-Y116 HydrophobicContact CG-CE2 4.31Å; L27-Y116 HydrophobicContact CG-CG 4.35Å; L27-L127 HydrophobicContact CB-CD2 3.81Å; L27-L127 WeakPolarHBondContact O-CD2 3.45Å
28	A	95.4	Very high	84.5	Confident	41 Å²	41	68.5 Å²	68.5	34%	0.339	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.2	158.3	0	0	0	0	0	109	Y51 F53	A28-Y51 PolarHBondContact N-O 3.48Å; A28-Y51 PolarHBondContact O-N 3.44Å; A28-F53 HydrophobicContact CB-CD2 4.14Å; A28-F53 HydrophobicContact CB-CE2 3.57Å
29	V	97.4	Very high	86.3	Confident	11 Å²	11	64.8 Å²	64.8	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.2	-172.9	-173.9	0	0	0	0	109.4	T49 I50 I114 L127 S129 S130	V29-T49 CarbonylContact C-O 3.59Å; V29-T49 VanDerWaalsContact CA-O 3.32Å; V29-T49 WeakPolarHBondContact CA-O 3.35Å; V29-I50 HydrophobicContact CG1-CG1 3.96Å; V29-I50 HydrophobicContact CG2-CB 4.28Å; V29-I50 HydrophobicContact CG2-CG1 3.98Å; V29-I50 HydrophobicContact CG2-CG2 4.05Å; V29-I114 HydrophobicContact CB-CD1 3.79Å; V29-I114 HydrophobicContact CB-CG1 4.39Å; V29-I114 HydrophobicContact CG1-CD1 3.75Å; V29-I114 HydrophobicContact CG1-CG1 4.24Å; V29-I114 HydrophobicContact CG2-CB 4.46Å; V29-I114 HydrophobicContact CG2-CD1 3.75Å; V29-I114 HydrophobicContact CG2-CG1 3.88Å; V29-L127 HydrophobicContact CG2-CD2 3.88Å; V29-S129 CarbonylContact O-C 3.57Å; V29-S129 VanDerWaalsContact O-CA 3.29Å; V29-S129 WeakPolarHBondContact O-CA 3.48Å; V29-S130 PolarHBondContact O-N 2.95Å
30	S	97.7	Very high	88.2	Confident	42 Å²	42	63.2 Å²	63.2	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.7	172.4	-172.6	0	0	0	0	109.1	Y48 T49	S30-Y48 CarbonylContact O-C 3.54Å; S30-Y48 VanDerWaalsContact O-CA 3.23Å; S30-Y48 WeakPolarHBondContact O-CA 3.23Å; S30-T49 PolarHBondContact N-O 2.75Å; S30-T49 PolarHBondContact O-N 2.84Å
31	K	97.8	Very high	90.4	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.9	164.4	177.3	-178.2	-177.4	173.6	0	107.7	I46 L47 Y48 D66 S110 S130 P132	K31-I46 HydrophobicContact CG-CG2 3.9Å; K31-L47 WeakPolarHBondContact CA-O 3.45Å; K31-Y48 HydrophobicContact CB-CD1 4Å; K31-Y48 HydrophobicContact CB-CE1 4.03Å; K31-Y48 HydrophobicContact CD-CE1 3.7Å; K31-Y48 HydrophobicContact CG-CD1 4.02Å; K31-Y48 HydrophobicContact CG-CE1 3.58Å; K31-D66 VanDerWaalsContact CE-OD2 3.23Å; K31-D66 WeakPolarHBondContact CE-OD2 3.38Å; K31-D66 IonicContact NZ-OD1 4Å; K31-D66 IonicContact NZ-OD2 3.64Å; K31-D66 PolarHBondContact NZ-OD2 2.77Å; K31-S110 PolarHBondContact NZ-O 3.44Å; K31-S130 WeakPolarHBondContact CB-O 3.3Å; K31-S130 PolarHBondContact N-OG 2.84Å; K31-S130 PolarHBondContact O-OG 3.34Å; K31-S130 VanDerWaalsContact O-OG 3.06Å; K31-P132 HydrophobicContact CD-CG 4.31Å; K31-P132 HydrophobicContact CG-CG 4.08Å
32	E	97.4	Very high	92.3	Very high	103 Å²	103	58.9 Å²	58.9	48%	0.481	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.1	-178.2	-172.2	176.3	174.7	0	0	110.3	L34 I46 L47	E32-L34 HydrophobicContact CG-CD2 4.16Å; E32-I46 CarbonylContact O-C 3.54Å; E32-I46 WeakPolarHBondContact O-CA 3.39Å; E32-L47 PolarHBondContact N-O 3.49Å; E32-L47 PolarHBondContact O-N 2.93Å
33	I	97.6	Very high	94.1	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.2	170.3	-68.8	163	0	0	0	106.9	N35 I38 M44 I46 F109 P132 L135	I33-N35 HydrophobicContact CG2-CB 4.22Å; I33-N35 PolarHBondContact O-N 3.34Å; I33-I38 HydrophobicContact CD1-CD1 4.44Å; I33-I38 HydrophobicContact CG2-CD1 4.06Å; I33-I38 HydrophobicContact CG2-CG1 4.39Å; I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 3.82Å; I33-M44 HydrophobicContact CG1-CE 3.84Å; I33-M44 HydrophobicContact CG2-CE 3.75Å; I33-I46 HydrophobicContact CG1-CG1 4.18Å; I33-F109 HydrophobicContact CD1-CB 4.13Å; I33-F109 HydrophobicContact CD1-CD1 3.76Å; I33-F109 HydrophobicContact CD1-CD2 3.61Å; I33-F109 HydrophobicContact CD1-CE1 4.01Å; I33-F109 HydrophobicContact CD1-CE2 3.88Å; I33-F109 HydrophobicContact CD1-CG 3.54Å; I33-F109 HydrophobicContact CD1-CZ 4.06Å; I33-P132 HydrophobicContact CD1-CB 4.06Å; I33-P132 HydrophobicContact CD1-CG 4.16Å; I33-P132 HydrophobicContact CG1-CG 4.36Å; I33-L135 HydrophobicContact CB-CD1 4.48Å; I33-L135 HydrophobicContact CD1-CD1 3.38Å; I33-L135 HydrophobicContact CG1-CD1 4.49Å
34	L	97.5	Very high	95.2	Very high	89 Å²	89	55.7 Å²	55.7	47%	0.466	27%	0.271	S	S	.	.			trans	-78.6	-11.2	-172.9	-57.9	-175	0	0	0	113.2	E32 T45 L47	E32-L34 HydrophobicContact CG-CD2 4.16Å; L34-T45 HydrophobicContact CD1-CG2 3.9Å; L34-T45 HydrophobicContact CG-CG2 4.42Å; L34-T45 PolarHBondContact N-O 2.84Å; L34-L47 HydrophobicContact CD1-CB 4.16Å; L34-L47 HydrophobicContact CD2-CB 4.04Å; L34-L47 HydrophobicContact CD2-CD2 4.1Å; L34-L47 HydrophobicContact CG-CB 4.11Å
35	N	96.4	Very high	96	Very high	51 Å²	51	53.7 Å²	53.7	27%	0.273	26%	0.262	S	S	.	.			trans	-85.5	126.5	179.6	-59.5	78.7	0	0	0	110.9	I33 F37 I38 M44 T45	I33-N35 HydrophobicContact CG2-CB 4.22Å; I33-N35 PolarHBondContact O-N 3.34Å; N35-F37 VanDerWaalsContact C-N 3.33Å; N35-I38 HydrophobicContact CB-CG1 4.41Å; N35-M44 VanDerWaalsContact OD1-CA 3.28Å; N35-M44 WeakPolarHBondContact OD1-CA 3.42Å; N35-T45 PolarHBondContact OD1-N 2.98Å
36	E	94.3	Very high	96.5	Very high	170 Å²	170	53.5 Å²	53.5	79%	0.794	26%	0.261	S	S	*	.	S	Bend	trans	-64.5	-39	171.3	-171.7	-174.8	172.4	0	0	111.9
37	F	95.3	Very high	97	Very high	76 Å²	76	47.5 Å²	47.5	33%	0.333	24%	0.24	S	C	.	.	S	Bend	trans	-128.4	133.8	176.4	-59.1	-76.5	0	0	0	110.4	N35 F39 F147	N35-F37 VanDerWaalsContact C-N 3.33Å; F37-F39 HydrophobicContact CB-CD2 4.29Å; F37-F39 HydrophobicContact CB-CE2 3.42Å; F37-F39 VanDerWaalsContact CB-CE2 3.42Å; F37-F39 HydrophobicContact CB-CZ 3.73Å; F37-F39 HydrophobicContact CG-CE2 4.43Å; F37-F39 HydrophobicContact CG-CZ 4.4Å; F37-F147 HydrophobicContact CD2-CZ 4.42Å
38	I	97.2	Very high	97.1	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.1	177.5	-51.1	169.8	0	0	0	108	I33 N35 M44 P101 F109 L135 I137 H138	I33-I38 HydrophobicContact CD1-CD1 4.44Å; I33-I38 HydrophobicContact CG2-CD1 4.06Å; I33-I38 HydrophobicContact CG2-CG1 4.39Å; N35-I38 HydrophobicContact CB-CG1 4.41Å; I38-M44 HydrophobicContact CD1-CE 3.92Å; I38-M44 HydrophobicContact CD1-SD 4.33Å; I38-M44 HydrophobicContact CG2-CB 4.29Å; I38-M44 HydrophobicContact CG2-SD 3.83Å; I38-P101 HydrophobicContact CG2-CG 3.78Å; I38-F109 HydrophobicContact CD1-CE2 3.99Å; I38-F109 HydrophobicContact CD1-CZ 4.14Å; I38-L135 HydrophobicContact CD1-CB 4.24Å; I38-L135 HydrophobicContact CD1-CD1 3.97Å; I38-I137 HydrophobicContact CB-CG1 4.41Å; I38-I137 HydrophobicContact CG2-CB 4.46Å; I38-I137 HydrophobicContact CG2-CG1 3.91Å; I38-I137 HydrophobicContact CG2-CG2 4.23Å; I38-H138 WeakPolarHBondContact O-CB 3.43Å; I38-H138 PolarHBondContact O-N 2.81Å
39	F	97.6	Very high	97.3	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.7	178.7	-63	-84.1	0	0	0	110.8	F37 K42 H138 E142 Y143 F147	F37-F39 HydrophobicContact CB-CD2 4.29Å; F37-F39 HydrophobicContact CB-CE2 3.42Å; F37-F39 VanDerWaalsContact CB-CE2 3.42Å; F37-F39 HydrophobicContact CB-CZ 3.73Å; F37-F39 HydrophobicContact CG-CE2 4.43Å; F37-F39 HydrophobicContact CG-CZ 4.4Å; F39-K42 HydrophobicContact CB-CB 4.02Å; F39-K42 HydrophobicContact CB-CG 3.92Å; F39-K42 PolarHBondContact O-N 3.48Å; F39-H138 CarbonylContact C-O 3.57Å; F39-H138 WeakPolarHBondContact CA-O 3.31Å; F39-H138 HydrophobicContact CD1-CB 3.37Å; F39-H138 HydrophobicContact CE1-CB 3.45Å; F39-H138 VanDerWaalsContact CE1-CB 3.45Å; F39-H138 HydrophobicContact CG-CB 4.31Å; F39-H138 HydrophobicContact CZ-CB 4.44Å; F39-E142 HydrophobicContact CE1-CB 4.19Å; F39-Y143 AromaticContact CD2-CD2 3.68Å; F39-Y143 HydrophobicContact CD2-CD2 3.68Å; F39-Y143 HydrophobicContact CD2-CG 4.4Å; F39-Y143 AromaticContact CE2-CD2 3.98Å; F39-Y143 HydrophobicContact CE2-CD2 3.98Å; F39-Y143 AromaticContact CG-CD2 3.99Å; F39-Y143 HydrophobicContact CG-CD2 3.99Å; F39-Y143 HydrophobicContact CG-CG 4.27Å; F39-F147 HydrophobicContact CE2-CD2 4.17Å; F39-F147 AromaticContact CE2-CE2 3.65Å; F39-F147 HydrophobicContact CE2-CE2 3.65Å; F39-F147 HydrophobicContact CZ-CD2 4.19Å; F39-F147 AromaticContact CZ-CE2 3.57Å; F39-F147 HydrophobicContact CZ-CE2 3.57Å
40	Q	96.9	Very high	97.3	Very high	47 Å²	47	45.1 Å²	45.1	22%	0.22	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.5	169.2	-168.3	-169.8	0.5	0	0	110.4	K42 Q102 N104 I137 H138	Q40-K42 PolarHBondContact O-N 3.3Å; Q40-Q102 WeakPolarHBondContact CG-O 2.99Å; Q40-Q102 PolarHBondContact NE2-O 3.31Å; Q40-N104 HydrophobicContact CB-CB 4.28Å; Q40-I137 HydrophobicContact CB-CG2 4.45Å; Q40-H138 PolarHBondContact N-O 3.46Å
41	E	96.5	Very high	97.3	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	19.2	-175.9	-60	-51.5	136.4	0	0	115.1	K100 P101 Q102 L140	E41-K100 WeakPolarHBondContact OE2-CE 3.41Å; E41-K100 IonicContact OE2-NZ 3.35Å; E41-K100 PolarHBondContact OE2-NZ 3.38Å; E41-P101 PolarHBondContact N-O 2.76Å; E41-Q102 VanDerWaalsContact CD-NE2 3.32Å; E41-Q102 WeakPolarHBondContact OE1-CA 3.22Å; E41-Q102 VanDerWaalsContact OE1-CD 3.23Å; E41-Q102 PolarHBondContact OE1-NE2 2.74Å; E41-Q102 PolarHBondContact OE1-OE1 3.14Å; E41-Q102 PolarHBondContact OE2-NE2 2.9Å; E41-L140 HydrophobicContact CB-CD2 4.39Å
42	K	96.8	Very high	97.2	Very high	72 Å²	72	47.1 Å²	47.1	31%	0.313	22%	0.224	S	C	.	.	S	Bend	trans	-120	143.8	174	-65	-64.4	179.4	174.3	0	111	F39 Q40 P101 L140 Y143	F39-K42 HydrophobicContact CB-CB 4.02Å; F39-K42 HydrophobicContact CB-CG 3.92Å; F39-K42 PolarHBondContact O-N 3.48Å; Q40-K42 PolarHBondContact O-N 3.3Å; K42-P101 WeakPolarHBondContact O-CD 3.05Å; K42-L140 HydrophobicContact CG-CD1 4.38Å; K42-Y143 HydrophobicContact CD-CE1 4.38Å; K42-Y143 HydrophobicContact CG-CD2 4.37Å; K42-Y143 HydrophobicContact CG-CG 4.43Å
43	E	97.9	Very high	97	Very high	106 Å²	106	48.8 Å²	48.8	50%	0.495	23%	0.229	S	C	.	.			trans	-65.5	137.9	178.9	-68.6	175.7	-158.9	0	0	110.9	I76 I98 L99	E43-I76 HydrophobicContact CG-CG1 4.33Å; E43-I98 HydrophobicContact CB-CG2 3.82Å; E43-I98 HydrophobicContact CG-CG2 4Å; E43-L99 CarbonylContact C-O 3.57Å; E43-L99 WeakPolarHBondContact CA-O 3.47Å
44	M	97	Very high	96.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.9	170.8	65.7	171.6	-68.3	0	0	109.7	I33 N35 I38 I46 F73 I98 L99 P101 F109	I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 3.82Å; I33-M44 HydrophobicContact CG1-CE 3.84Å; I33-M44 HydrophobicContact CG2-CE 3.75Å; N35-M44 VanDerWaalsContact OD1-CA 3.28Å; N35-M44 WeakPolarHBondContact OD1-CA 3.42Å; I38-M44 HydrophobicContact CD1-CE 3.92Å; I38-M44 HydrophobicContact CD1-SD 4.33Å; I38-M44 HydrophobicContact CG2-CB 4.29Å; I38-M44 HydrophobicContact CG2-SD 3.83Å; M44-I46 HydrophobicContact CE-CD1 4.16Å; M44-I46 HydrophobicContact CE-CG1 3.96Å; M44-F73 HydrophobicContact SD-CD1 4.49Å; M44-F73 HydrophobicContact SD-CE1 3.98Å; M44-I98 WeakPolarHBondContact O-CA 3.49Å; M44-L99 HydrophobicContact CG-CB 4.1Å; M44-L99 WeakPolarHBondContact CG-O 3.38Å; M44-L99 PolarHBondContact N-O 3.22Å; M44-L99 PolarHBondContact O-N 2.88Å; M44-P101 HydrophobicContact CG-CG 4.24Å; M44-P101 HydrophobicContact SD-CG 3.85Å; M44-F109 HydrophobicContact CE-CE1 3.74Å; M44-F109 HydrophobicContact CE-CZ 3.73Å; M44-F109 HydrophobicContact SD-CE1 4.17Å; M44-F109 HydrophobicContact SD-CZ 3.98Å
45	T	98.3	Very high	96.3	Very high	37 Å²	37	52.8 Å²	52.8	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.6	-174.2	-52.9	0	0	0	0	109.8	L34 N35 V96	L34-T45 HydrophobicContact CD1-CG2 3.9Å; L34-T45 HydrophobicContact CG-CG2 4.42Å; L34-T45 PolarHBondContact N-O 2.84Å; N35-T45 PolarHBondContact OD1-N 2.98Å; T45-V96 HydrophobicContact CG2-CG1 3.49Å; T45-V96 VanDerWaalsContact CG2-CG1 3.49Å
46	I	98.1	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.7	173.3	-50.4	-177.5	0	0	0	108.3	K31 E32 I33 M44 Y48 F68 V96 I97 L99	K31-I46 HydrophobicContact CG-CG2 3.9Å; E32-I46 CarbonylContact O-C 3.54Å; E32-I46 WeakPolarHBondContact O-CA 3.39Å; I33-I46 HydrophobicContact CG1-CG1 4.18Å; M44-I46 HydrophobicContact CE-CD1 4.16Å; M44-I46 HydrophobicContact CE-CG1 3.96Å; I46-Y48 HydrophobicContact CB-CE2 4.2Å; I46-Y48 HydrophobicContact CG2-CD2 4.42Å; I46-Y48 HydrophobicContact CG2-CE1 4.16Å; I46-Y48 HydrophobicContact CG2-CE2 3.68Å; I46-Y48 WeakPolarHBondContact CG2-OH 3.49Å; I46-F68 HydrophobicContact CD1-CE1 3.73Å; I46-F68 HydrophobicContact CD1-CZ 3.59Å; I46-V96 WeakPolarHBondContact O-CA 3.3Å; I46-I97 PolarHBondContact N-O 3.24Å; I46-I97 PolarHBondContact O-N 3.17Å; I46-L99 HydrophobicContact CD1-CD1 3.75Å
47	L	98.3	Very high	95.8	Very high	35 Å²	35	50.5 Å²	50.5	18%	0.183	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.9	175.9	175.2	65.7	0	0	0	109.5	K31 E32 L34 T94 V96	K31-L47 WeakPolarHBondContact CA-O 3.45Å; E32-L47 PolarHBondContact N-O 3.49Å; E32-L47 PolarHBondContact O-N 2.93Å; L34-L47 HydrophobicContact CD1-CB 4.16Å; L34-L47 HydrophobicContact CD2-CB 4.04Å; L34-L47 HydrophobicContact CD2-CD2 4.1Å; L34-L47 HydrophobicContact CG-CB 4.11Å; L47-T94 HydrophobicContact CD1-CG2 4.27Å; L47-V96 HydrophobicContact CD1-CG2 3.63Å
48	Y	98.6	Very high	95.6	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.5	167.2	-53.1	-90.6	0	0	0	108.6	S30 K31 I46 L64 D66 F68 T94 H95 I97 A112	S30-Y48 CarbonylContact O-C 3.54Å; S30-Y48 VanDerWaalsContact O-CA 3.23Å; S30-Y48 WeakPolarHBondContact O-CA 3.23Å; K31-Y48 HydrophobicContact CB-CD1 4Å; K31-Y48 HydrophobicContact CB-CE1 4.03Å; K31-Y48 HydrophobicContact CD-CE1 3.7Å; K31-Y48 HydrophobicContact CG-CD1 4.02Å; K31-Y48 HydrophobicContact CG-CE1 3.58Å; I46-Y48 HydrophobicContact CB-CE2 4.2Å; I46-Y48 HydrophobicContact CG2-CD2 4.42Å; I46-Y48 HydrophobicContact CG2-CE1 4.16Å; I46-Y48 HydrophobicContact CG2-CE2 3.68Å; I46-Y48 WeakPolarHBondContact CG2-OH 3.49Å; Y48-L64 HydrophobicContact CD1-CD1 4.13Å; Y48-L64 HydrophobicContact CD1-CD2 4.07Å; Y48-L64 HydrophobicContact CD2-CD2 3.95Å; Y48-L64 HydrophobicContact CG-CD2 3.66Å; Y48-D66 WeakPolarHBondContact CE1-OD2 3.48Å; Y48-D66 PolarHBondContact OH-OD2 2.81Å; Y48-F68 WeakPolarHBondContact OH-CZ 3.46Å; Y48-T94 CarbonylContact O-C 3.53Å; Y48-T94 WeakPolarHBondContact O-CA 3.15Å; Y48-H95 HydrophobicContact CD2-CB 4.39Å; Y48-H95 PolarHBondContact N-O 3.26Å; Y48-H95 PolarHBondContact O-N 2.81Å; Y48-I97 HydrophobicContact CE2-CD1 3.64Å; Y48-I97 HydrophobicContact CE2-CG1 3.94Å; Y48-A112 HydrophobicContact CD1-CB 4.29Å; Y48-A112 HydrophobicContact CE1-CB 3.83Å
49	T	98.4	Very high	95.4	Very high	10 Å²	10	48 Å²	48	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.2	171.3	-49.2	0	0	0	0	109.5	V29 S30 Y51 N92 V93 T94	V29-T49 CarbonylContact C-O 3.59Å; V29-T49 VanDerWaalsContact CA-O 3.32Å; V29-T49 WeakPolarHBondContact CA-O 3.35Å; S30-T49 PolarHBondContact N-O 2.75Å; S30-T49 PolarHBondContact O-N 2.84Å; T49-Y51 HydrophobicContact CG2-CD1 4.5Å; T49-Y51 HydrophobicContact CG2-CD2 3.97Å; T49-Y51 HydrophobicContact CG2-CE1 3.93Å; T49-Y51 HydrophobicContact CG2-CE2 3.32Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.4Å; T49-N92 HydrophobicContact CG2-CB 4.21Å; T49-V93 WeakPolarHBondContact CA-O 3.43Å; T49-T94 HydrophobicContact CG2-CG2 3.82Å
50	I	98.2	Very high	95.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	178.4	-54.4	177.7	0	0	0	107.2	L27 V29 V62 W84 N92 V93	L27-I50 HydrophobicContact CB-CG2 4.41Å; L27-I50 HydrophobicContact CD1-CG2 3.98Å; L27-I50 HydrophobicContact CD2-CG2 4.43Å; V29-I50 HydrophobicContact CG1-CG1 3.96Å; V29-I50 HydrophobicContact CG2-CB 4.28Å; V29-I50 HydrophobicContact CG2-CG1 3.98Å; V29-I50 HydrophobicContact CG2-CG2 4.05Å; I50-V62 HydrophobicContact CD1-CG1 3.98Å; I50-V62 HydrophobicContact CG2-CG1 4.46Å; I50-W84 HydrophobicContact CD1-CE3 3.9Å; I50-W84 HydrophobicContact CD1-CH2 4.01Å; I50-W84 HydrophobicContact CD1-CZ3 3.47Å; I50-W84 VanDerWaalsContact CD1-CZ3 3.47Å; I50-N92 CarbonylContact O-C 3.52Å; I50-N92 WeakPolarHBondContact O-CA 3.42Å; I50-N92 VanDerWaalsContact O-CB 3.3Å; I50-N92 WeakPolarHBondContact O-CB 3.23Å; I50-V93 HydrophobicContact CB-CG2 3.81Å; I50-V93 HydrophobicContact CD1-CG2 4.21Å; I50-V93 HydrophobicContact CG1-CG2 4.33Å; I50-V93 HydrophobicContact CG2-CG2 4.49Å; I50-V93 PolarHBondContact N-O 2.81Å; I50-V93 PolarHBondContact O-N 3.47Å
51	Y	97.7	Very high	95.1	Very high	87 Å²	87	50.8 Å²	50.8	34%	0.341	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	178.7	-64	-89.7	0	0	0	109.7	L27 A28 T49 F53 N92	L27-Y51 CarbonylContact C-O 3.48Å; L27-Y51 WeakPolarHBondContact CA-O 3.5Å; A28-Y51 PolarHBondContact N-O 3.48Å; A28-Y51 PolarHBondContact O-N 3.44Å; T49-Y51 HydrophobicContact CG2-CD1 4.5Å; T49-Y51 HydrophobicContact CG2-CD2 3.97Å; T49-Y51 HydrophobicContact CG2-CE1 3.93Å; T49-Y51 HydrophobicContact CG2-CE2 3.32Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.4Å; Y51-F53 HydrophobicContact CD1-CZ 4.46Å; Y51-F53 HydrophobicContact CG-CE2 4.2Å; Y51-F53 HydrophobicContact CG-CZ 4.07Å; Y51-N92 HydrophobicContact CD1-CB 3.6Å; Y51-N92 HydrophobicContact CE1-CB 3.91Å; Y51-N92 VanDerWaalsContact CE1-ND2 3.3Å; Y51-N92 WeakPolarHBondContact CE1-ND2 3.46Å; Y51-N92 HydrophobicContact CG-CB 4.21Å
52	N	95.6	Very high	95	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.2	165.9	-177.3	2.9	0	0	0	109.3	L27 H54 R57 A59 V87 P88 S90 S91	L27-N52 HydrophobicContact CD2-CB 3.58Å; N52-H54 VanDerWaalsContact C-N 3.26Å; N52-H54 PolarHBondContact O-N 3.45Å; N52-H54 VanDerWaalsContact OD1-CB 3.25Å; N52-H54 WeakPolarHBondContact OD1-CB 3.48Å; N52-H54 PolarHBondContact OD1-N 2.84Å; N52-R57 PolarHBondContact ND2-O 3.13Å; N52-A59 PolarHBondContact ND2-N 3.28Å; N52-V87 HydrophobicContact CB-CG1 3.86Å; N52-V87 PolarHBondContact ND2-O 3.47Å; N52-V87 VanDerWaalsContact ND2-O 3.16Å; N52-P88 WeakPolarHBondContact CB-O 3.4Å; N52-P88 PolarHBondContact ND2-O 3.08Å; N52-S90 VanDerWaalsContact O-CA 3.3Å; N52-S90 WeakPolarHBondContact O-CA 3.25Å; N52-S90 PolarHBondContact O-N 3.06Å; N52-S91 PolarHBondContact N-O 2.76Å; N52-S91 PolarHBondContact O-N 2.96Å
53	F	92	Very high	95	Very high	138 Å²	138	47.8 Å²	47.8	61%	0.605	23%	0.234	S	C	*	.			trans	-84.4	0	-178.8	-72	-75.7	0	0	0	113.7	R26 A28 Y51	R26-F53 PolarHBondContact O-N 3.3Å; A28-F53 HydrophobicContact CB-CD2 4.14Å; A28-F53 HydrophobicContact CB-CE2 3.57Å; Y51-F53 HydrophobicContact CD1-CZ 4.46Å; Y51-F53 HydrophobicContact CG-CE2 4.2Å; Y51-F53 HydrophobicContact CG-CZ 4.07Å
54	H	91.2	Very high	95	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.111	21%	0.211	C	C	.	.			trans	-75.1	133.4	178.9	-162	-60.3	0	0	0	110.7	D23 V25 N52 S56 R57 A89 S90	D23-H54 IonicContact OD1-CE1 2.79Å; D23-H54 PolarHBondContact OD1-CE1 3.44Å; D23-H54 IonicContact OD1-NE2 3.84Å; D23-H54 PolarHBondContact OD1-NE2 3.25Å; V25-H54 HydrophobicContact CG1-CB 4.46Å; N52-H54 VanDerWaalsContact C-N 3.26Å; N52-H54 PolarHBondContact O-N 3.45Å; N52-H54 VanDerWaalsContact OD1-CB 3.25Å; N52-H54 WeakPolarHBondContact OD1-CB 3.48Å; N52-H54 PolarHBondContact OD1-N 2.84Å; H54-S56 PolarHBondContact ND1-N 2.79Å; H54-S56 PolarHBondContact O-N 3.22Å; H54-R57 VanDerWaalsContact CE1-CG 3.5Å; H54-R57 WeakPolarHBondContact CE1-CG 3.37Å; H54-R57 PolarHBondContact ND1-N 3Å; H54-R57 VanDerWaalsContact ND1-N 3.13Å; H54-A89 CarbonylContact O-C 3.54Å; H54-A89 WeakPolarHBondContact O-CA 3.4Å; H54-A89 WeakPolarHBondContact O-CB 3.45Å; H54-S90 PolarHBondContact O-N 2.86Å; H54-S90 PolarHBondContact O-OG 3.13Å
55	E	89.5	Confident	95.1	Very high	170 Å²	170	47.7 Å²	47.7	79%	0.794	23%	0.232	S	C	*	.	S	Bend	trans	-62.9	-46.1	-174.1	-63.4	-176.3	173.9	0	0	113	A89 S90	E55-A89 WeakPolarHBondContact O-CB 3.46Å; E55-S90 WeakPolarHBondContact CA-OG 3.39Å; E55-S90 PolarHBondContact O-OG 3.45Å
56	S	89.7	Confident	95	Very high	96 Å²	96	46.1 Å²	46.1	67%	0.671	22%	0.223	S	C	*	.	S	Bend	trans	-121.8	-14.7	-171.9	59.2	0	0	0	0	116.5	H54	H54-S56 PolarHBondContact ND1-N 2.79Å; H54-S56 PolarHBondContact O-N 3.22Å
57	R	90.3	Very high	94.9	Very high	78 Å²	78	52.1 Å²	52.1	29%	0.294	25%	0.254	S	S	.	.			trans	-105.9	135.9	-174.1	-64.3	179.5	-179.5	-157.2	-4.4	112.4	D23 V25 N52 H54 A89 T119	D23-R57 VanDerWaalsContact CG-CZ 3.46Å; D23-R57 PolarHBondContact O-NH1 3.35Å; D23-R57 IonicContact OD1-CZ 2.96Å; D23-R57 IonicContact OD1-NE 3.06Å; D23-R57 PolarHBondContact OD1-NE 2.93Å; D23-R57 IonicContact OD1-NH2 2.62Å; D23-R57 IonicContact OD2-CZ 3.42Å; D23-R57 IonicContact OD2-NE 3.29Å; D23-R57 PolarHBondContact OD2-NE 3.45Å; D23-R57 IonicContact OD2-NH1 3.64Å; D23-R57 IonicContact OD2-NH2 2.79Å; D23-R57 PolarHBondContact OD2-NH2 3.28Å; V25-R57 HydrophobicContact CG2-CB 3.59Å; N52-R57 PolarHBondContact ND2-O 3.13Å; H54-R57 VanDerWaalsContact CE1-CG 3.5Å; H54-R57 WeakPolarHBondContact CE1-CG 3.37Å; H54-R57 PolarHBondContact ND1-N 3Å; H54-R57 VanDerWaalsContact ND1-N 3.13Å; R57-A89 WeakPolarHBondContact O-CA 3.5Å; R57-A89 WeakPolarHBondContact O-CB 3.23Å; R57-T119 HydrophobicContact CB-CG2 4.34Å; R57-T119 HydrophobicContact CG-CG2 4.23Å; R57-T119 PolarHBondContact NH1-OG1 2.93Å
58	A	92.2	Very high	94.7	Very high	28 Å²	28	52 Å²	52	23%	0.231	25%	0.252	C	S	.	.			trans	-87.5	143.8	174.8	0	0	0	0	0	111.6	V86 V87	A58-V86 HydrophobicContact CB-CG1 3.62Å; A58-V87 CarbonylContact C-O 3.54Å; A58-V87 VanDerWaalsContact CA-O 3.29Å; A58-V87 WeakPolarHBondContact CA-O 3.35Å; A58-V87 WeakPolarHBondContact CB-O 3.37Å
59	A	92.6	Very high	94.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.5	165.1	0	0	0	0	0	109.2	V25 L27 N52 V62 V86 V87 Y116	V25-A59 HydrophobicContact CG1-CB 3.78Å; L27-A59 HydrophobicContact CD1-CB 3.97Å; L27-A59 HydrophobicContact CD2-CB 3.83Å; L27-A59 HydrophobicContact CG-CB 4.2Å; N52-A59 PolarHBondContact ND2-N 3.28Å; A59-V62 HydrophobicContact CB-CG2 3.75Å; A59-V86 CarbonylContact O-C 3.56Å; A59-V86 WeakPolarHBondContact O-CA 3.4Å; A59-V87 HydrophobicContact CB-CB 4.38Å; A59-V87 PolarHBondContact N-O 2.85Å; A59-V87 PolarHBondContact O-N 3.19Å; A59-Y116 HydrophobicContact CB-CD2 4.19Å
60	K	93.5	Very high	94.1	Very high	87 Å²	87	62.7 Å²	62.7	38%	0.378	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.1	177.5	-65.9	-177.4	-179.7	177.4	0	110.2	V62 P85 K117 L121	K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 3.48Å; K60-P85 WeakPolarHBondContact CA-O 3.37Å; K60-K117 PolarHBondContact N-O 3.11Å; K60-K117 PolarHBondContact O-N 2.87Å; K60-L121 HydrophobicContact CD-CD2 3.95Å
61	D	93.8	Very high	93.9	Very high	31 Å²	31	67.8 Å²	67.8	17%	0.166	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.5	48.5	170.9	-155.9	26.8	0	0	0	112.6	E63 R83 P85 K117	D61-E63 PolarHBondContact O-N 2.82Å; D61-R83 IonicContact OD1-CZ 2.75Å; D61-R83 IonicContact OD1-NE 3.62Å; D61-R83 PolarHBondContact OD1-NE 2.83Å; D61-R83 IonicContact OD1-NH2 3.13Å; D61-R83 PolarHBondContact OD1-NH2 2.89Å; D61-R83 IonicContact OD2-NH2 2.75Å; D61-P85 PolarHBondContact N-O 2.8Å; D61-K117 HydrophobicContact CB-CD 4.14Å; D61-K117 IonicContact OD2-NZ 3.25Å; D61-K117 PolarHBondContact OD2-NZ 3.26Å
62	V	95.9	Very high	93.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.6	-177.1	-175	0	0	0	0	108.3	L27 I50 A59 K60 R83 W84 V87 I114 T115	L27-V62 HydrophobicContact CD1-CG1 4.03Å; L27-V62 HydrophobicContact CD1-CG2 4.02Å; I50-V62 HydrophobicContact CD1-CG1 3.98Å; I50-V62 HydrophobicContact CG2-CG1 4.46Å; A59-V62 HydrophobicContact CB-CG2 3.75Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 3.48Å; V62-R83 CarbonylContact O-C 3.58Å; V62-R83 VanDerWaalsContact O-CA 3.31Å; V62-R83 WeakPolarHBondContact O-CA 3.47Å; V62-W84 HydrophobicContact CB-CB 4.44Å; V62-W84 HydrophobicContact CB-CE3 4.48Å; V62-W84 HydrophobicContact CG1-CE3 4.3Å; V62-W84 PolarHBondContact N-O 3.42Å; V62-W84 PolarHBondContact O-N 3.47Å; V62-V87 HydrophobicContact CB-CG2 4.17Å; V62-V87 HydrophobicContact CG2-CB 4.33Å; V62-V87 HydrophobicContact CG2-CG2 3.7Å; V62-I114 HydrophobicContact CG1-CG2 3.89Å; V62-T115 CarbonylContact C-O 3.53Å; V62-T115 WeakPolarHBondContact CA-O 3.29Å
63	E	97.1	Very high	93.8	Very high	71 Å²	71	66.7 Å²	66.7	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	177	-66.9	-179.1	165.6	0	0	109.1	D61 A82 R83 I114 T115	D61-E63 PolarHBondContact O-N 2.82Å; E63-A82 CarbonylContact C-O 3.58Å; E63-A82 WeakPolarHBondContact CA-O 3.46Å; E63-R83 HydrophobicContact CG-CB 4.05Å; E63-R83 HydrophobicContact CG-CG 3.68Å; E63-R83 VanDerWaalsContact OE1-CD 3.23Å; E63-R83 WeakPolarHBondContact OE1-CD 3.38Å; E63-R83 IonicContact OE1-CZ 3.53Å; E63-R83 VanDerWaalsContact OE1-CZ 3.29Å; E63-R83 IonicContact OE1-NE 2.63Å; E63-R83 PolarHBondContact OE1-NE 2.96Å; E63-R83 IonicContact OE1-NH1 2.96Å; E63-R83 PolarHBondContact OE1-NH1 2.77Å; E63-I114 CarbonylContact O-C 3.49Å; E63-I114 VanDerWaalsContact O-CA 3.24Å; E63-I114 WeakPolarHBondContact O-CA 3.32Å; E63-T115 PolarHBondContact N-O 2.83Å; E63-T115 PolarHBondContact O-N 2.82Å
64	L	97.7	Very high	94.1	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.9	172.1	170.4	71.1	0	0	0	108.2	Y48 S81 A82 W84 H95 A112 I114	Y48-L64 HydrophobicContact CD1-CD1 4.13Å; Y48-L64 HydrophobicContact CD1-CD2 4.07Å; Y48-L64 HydrophobicContact CD2-CD2 3.95Å; Y48-L64 HydrophobicContact CG-CD2 3.66Å; L64-S81 VanDerWaalsContact O-CA 3.31Å; L64-S81 WeakPolarHBondContact O-CA 3.44Å; L64-A82 PolarHBondContact N-O 3Å; L64-A82 PolarHBondContact O-N 3.18Å; L64-W84 HydrophobicContact CB-CH2 4.16Å; L64-W84 HydrophobicContact CB-CZ3 3.7Å; L64-W84 HydrophobicContact CD2-CH2 4.08Å; L64-W84 HydrophobicContact CD2-CZ3 4.44Å; L64-H95 HydrophobicContact CD2-CB 4.2Å; L64-A112 HydrophobicContact CD1-CB 3.65Å; L64-I114 HydrophobicContact CD1-CD1 3.98Å; L64-I114 HydrophobicContact CD1-CG1 3.65Å
65	F	97.8	Very high	94.4	Very high	103 Å²	103	65.2 Å²	65.2	45%	0.452	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.3	173.3	-176.7	-111.5	0	0	0	111	I67 P80 T113	F65-I67 HydrophobicContact CD1-CG1 4.22Å; F65-I67 HydrophobicContact CE1-CD1 4.03Å; F65-I67 HydrophobicContact CE1-CG1 3.5Å; F65-I67 HydrophobicContact CZ-CG1 4.05Å; F65-P80 WeakPolarHBondContact CA-O 3.42Å; F65-T113 PolarHBondContact N-O 2.95Å; F65-T113 PolarHBondContact O-N 3.44Å
66	D	97.5	Very high	94.8	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.027	31%	0.313	C	S	.	.			trans	-133	150.7	174.4	-154.3	-15.2	0	0	0	110.9	K31 Y48 F68 P80 A112	K31-D66 VanDerWaalsContact CE-OD2 3.23Å; K31-D66 WeakPolarHBondContact CE-OD2 3.38Å; K31-D66 IonicContact NZ-OD1 4Å; K31-D66 IonicContact NZ-OD2 3.64Å; K31-D66 PolarHBondContact NZ-OD2 2.77Å; Y48-D66 WeakPolarHBondContact CE1-OD2 3.48Å; Y48-D66 PolarHBondContact OH-OD2 2.81Å; D66-F68 HydrophobicContact CB-CE2 3.77Å; D66-F68 HydrophobicContact CB-CZ 4.17Å; D66-P80 PolarHBondContact N-O 2.89Å; D66-P80 VanDerWaalsContact O-CB 3.27Å; D66-P80 WeakPolarHBondContact O-CB 3.01Å; D66-A112 HydrophobicContact CB-CB 3.83Å
67	I	94.4	Very high	95.1	Very high	126 Å²	126	60.5 Å²	60.5	65%	0.646	31%	0.305	S	S	*	.			trans	-112.1	123.8	-170.7	-57.4	171.3	0	0	0	108.8	F65	F65-I67 HydrophobicContact CD1-CG1 4.22Å; F65-I67 HydrophobicContact CE1-CD1 4.03Å; F65-I67 HydrophobicContact CE1-CG1 3.5Å; F65-I67 HydrophobicContact CZ-CG1 4.05Å
68	F	94.2	Very high	95.4	Very high	33 Å²	33	59.1 Å²	59.1	15%	0.145	32%	0.315	C	S	.	.			trans	-130.6	130.9	172.9	-58.8	-76.1	0	0	0	108.8	I46 Y48 D66 E70 F73 L99	I46-F68 HydrophobicContact CD1-CE1 3.73Å; I46-F68 HydrophobicContact CD1-CZ 3.59Å; Y48-F68 WeakPolarHBondContact OH-CZ 3.46Å; D66-F68 HydrophobicContact CB-CE2 3.77Å; D66-F68 HydrophobicContact CB-CZ 4.17Å; F68-E70 PolarHBondContact O-N 3.37Å; F68-F73 HydrophobicContact CB-CB 4.49Å; F68-L99 HydrophobicContact CB-CD1 4.42Å; F68-L99 HydrophobicContact CD1-CD1 3.47Å; F68-L99 VanDerWaalsContact CD1-CD1 3.47Å; F68-L99 HydrophobicContact CD2-CD1 3.92Å; F68-L99 HydrophobicContact CE1-CD1 3.58Å; F68-L99 HydrophobicContact CE2-CD1 4.02Å; F68-L99 HydrophobicContact CG-CD1 3.65Å; F68-L99 HydrophobicContact CZ-CD1 3.87Å
69	S	93.1	Very high	95.5	Very high	54 Å²	54	60.1 Å²	60.1	38%	0.378	32%	0.32	S	S	.	.			trans	-71.3	126.4	176.3	-174.9	0	0	0	0	110.2	T71 E72 F73	S69-T71 PolarHBondContact O-N 2.78Å; S69-T71 VanDerWaalsContact O-N 3.16Å; S69-T71 PolarHBondContact OG-N 3.2Å; S69-T71 PolarHBondContact OG-OG1 2.99Å; S69-E72 PolarHBondContact O-N 2.8Å; S69-F73 PolarHBondContact O-N 2.75Å
70	E	91.9	Very high	95.7	Very high	180 Å²	180	61.9 Å²	61.9	84%	0.841	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	176	-63.7	-175.9	177.2	0	0	112.9	F68 F73	F68-E70 PolarHBondContact O-N 3.37Å; E70-F73 WeakPolarHBondContact CA-O 3.43Å
71	T	93.6	Very high	95.8	Very high	109 Å²	109	60.8 Å²	60.8	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-26.1	174.1	61.1	0	0	0	0	113	S69	S69-T71 PolarHBondContact O-N 2.78Å; S69-T71 VanDerWaalsContact O-N 3.16Å; S69-T71 PolarHBondContact OG-N 3.2Å; S69-T71 PolarHBondContact OG-OG1 2.99Å
72	E	94.9	Very high	96	Very high	60 Å²	60	60 Å²	60	28%	0.28	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-30.9	-177.6	-60.7	-169	178.6	0	0	112.2	S69 P101 Q102 I103 H107	S69-E72 PolarHBondContact O-N 2.8Å; E72-P101 CarbonylContact O-C 3.59Å; E72-P101 WeakPolarHBondContact O-CA 3.42Å; E72-Q102 PolarHBondContact O-N 2.63Å; E72-I103 HydrophobicContact CB-CD1 4.23Å; E72-I103 HydrophobicContact CB-CG1 4.24Å; E72-I103 HydrophobicContact CG-CD1 3.68Å; E72-I103 HydrophobicContact CG-CG1 4.24Å; E72-H107 IonicContact OE2-CE1 3.89Å; E72-H107 PolarHBondContact OE2-CE1 3.16Å; E72-H107 IonicContact OE2-ND1 3.89Å; E72-H107 PolarHBondContact OE2-ND1 3.09Å
73	F	97.6	Very high	96	Very high	6 Å²	6	67 Å²	67	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.6	-177.5	-61.1	-89.6	0	0	0	111	M44 F68 S69 E70 L99 P101 H107 F109 I137	M44-F73 HydrophobicContact SD-CD1 4.49Å; M44-F73 HydrophobicContact SD-CE1 3.98Å; F68-F73 HydrophobicContact CB-CB 4.49Å; S69-F73 PolarHBondContact O-N 2.75Å; E70-F73 WeakPolarHBondContact CA-O 3.43Å; F73-L99 HydrophobicContact CB-CB 4.49Å; F73-L99 HydrophobicContact CB-CD1 4.48Å; F73-L99 HydrophobicContact CD1-CB 4.21Å; F73-L99 HydrophobicContact CD1-CD1 4.28Å; F73-L99 HydrophobicContact CG-CD1 4.43Å; F73-P101 HydrophobicContact CD1-CB 3.95Å; F73-P101 HydrophobicContact CD1-CG 3.98Å; F73-P101 HydrophobicContact CE1-CB 3.82Å; F73-P101 HydrophobicContact CE1-CG 3.8Å; F73-H107 AromaticContact CE2-CE1 3.5Å; F73-H107 VanDerWaalsContact CE2-CE1 3.5Å; F73-H107 WeakPolarHBondContact CE2-CE1 3.34Å; F73-H107 AromaticContact CE2-ND1 3.79Å; F73-H107 AromaticContact CE2-NE2 3.64Å; F73-H107 AromaticContact CZ-CD2 3.76Å; F73-H107 AromaticContact CZ-CE1 3.99Å; F73-H107 AromaticContact CZ-CG 3.88Å; F73-H107 AromaticContact CZ-NE2 3.83Å; F73-F109 HydrophobicContact CE1-CE1 4.13Å; F73-F109 HydrophobicContact CE1-CZ 4.15Å; F73-F109 AromaticContact CZ-CE1 3.92Å; F73-F109 HydrophobicContact CZ-CE1 3.92Å; F73-F109 AromaticContact CZ-CZ 3.97Å; F73-F109 HydrophobicContact CZ-CZ 3.97Å; F73-I137 HydrophobicContact CE1-CD1 4.17Å; F73-I137 HydrophobicContact CZ-CD1 3.99Å
74	T	97.7	Very high	96	Very high	52 Å²	52	65.9 Å²	65.9	32%	0.319	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.9	165.8	-51.1	0	0	0	0	109.2	I76 L99 K100	T74-I76 HydrophobicContact CG2-CD1 3.97Å; T74-I76 PolarHBondContact O-N 3.42Å; T74-L99 CarbonylContact O-C 3.6Å; T74-L99 WeakPolarHBondContact O-CA 3.3Å; T74-K100 PolarHBondContact N-O 3.06Å; T74-K100 PolarHBondContact O-N 3.46Å
75	L	97.1	Very high	95.9	Very high	79 Å²	79	70.6 Å²	70.6	41%	0.414	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.2	171.1	177.7	67.7	0	0	0	109.9	H77 P80 I97 L99	L75-H77 WeakPolarHBondContact CD1-O 3.28Å; L75-P80 HydrophobicContact CD2-CG 4.17Å; L75-I97 HydrophobicContact CD1-CG2 3.4Å; L75-L99 HydrophobicContact CB-CD2 4.16Å; L75-L99 HydrophobicContact CD1-CD2 3.63Å
76	I	97.5	Very high	95.7	Very high	58 Å²	58	69.2 Å²	69.2	30%	0.297	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-49.7	-179.9	-52.4	-58.7	0	0	0	110.5	E43 T74 I98 K100	E43-I76 HydrophobicContact CG-CG1 4.33Å; T74-I76 HydrophobicContact CG2-CD1 3.97Å; T74-I76 PolarHBondContact O-N 3.42Å; I76-I98 HydrophobicContact CB-CB 4.48Å; I76-I98 HydrophobicContact CB-CG2 4.15Å; I76-I98 PolarHBondContact N-O 2.88Å; I76-K100 HydrophobicContact CD1-CB 3.97Å; I76-K100 HydrophobicContact CG1-CB 3.87Å
77	H	97.1	Very high	95.7	Very high	110 Å²	110	69 Å²	69	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.1	179.1	-60.8	-63.2	0	0	0	112.1	L75 I98	L75-H77 WeakPolarHBondContact CD1-O 3.28Å; H77-I98 HydrophobicContact CB-CB 3.96Å; H77-I98 HydrophobicContact CB-CD1 4.06Å; H77-I98 HydrophobicContact CB-CG1 4.16Å; H77-I98 PolarHBondContact N-O 3.18Å; H77-I98 PolarHBondContact O-N 2.9Å
78	G	95.2	Very high	95.7	Very high	48 Å²	48	66.2 Å²	66.2	50%	0.495	37%	0.371	S	S	.	.	S	Bend	trans	84.3	-167.2	-177.2	0	0	0	0	0	112.3
79	S	96.3	Very high	95.7	Very high	50 Å²	50	66 Å²	66	35%	0.35	38%	0.376	S	S	.	.			trans	-139.9	137.3	-179.9	171.6	0	0	0	0	109.4	S81 H95 I97	S79-S81 VanDerWaalsContact CB-O 3.23Å; S79-S81 WeakPolarHBondContact CB-O 3.49Å; S79-S81 PolarHBondContact O-N 2.93Å; S79-S81 PolarHBondContact OG-N 2.75Å; S79-S81 PolarHBondContact OG-O 3.24Å; S79-H95 PolarHBondContact O-NE2 2.99Å; S79-I97 WeakPolarHBondContact O-CD1 3.42Å
80	P	96.2	Very high	95.7	Very high	37 Å²	37	67.5 Å²	67.5	24%	0.24	39%	0.386	C	S	.	.	S	Bend	trans	-62.7	-19.7	172.9	-18.8	31.3	0	0	0	113.2	F65 D66 L75	F65-P80 WeakPolarHBondContact CA-O 3.42Å; D66-P80 PolarHBondContact N-O 2.89Å; D66-P80 VanDerWaalsContact O-CB 3.27Å; D66-P80 WeakPolarHBondContact O-CB 3.01Å; L75-P80 HydrophobicContact CD2-CG 4.17Å
81	S	96.1	Very high	95.9	Very high	64 Å²	64	60.4 Å²	60.4	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.9	172.5	-176.8	0	0	0	0	110.7	L64 S79	L64-S81 VanDerWaalsContact O-CA 3.31Å; L64-S81 WeakPolarHBondContact O-CA 3.44Å; S79-S81 VanDerWaalsContact CB-O 3.23Å; S79-S81 WeakPolarHBondContact CB-O 3.49Å; S79-S81 PolarHBondContact O-N 2.93Å; S79-S81 PolarHBondContact OG-N 2.75Å; S79-S81 PolarHBondContact OG-O 3.24Å
82	A	97	Very high	96.1	Very high	13 Å²	13	59.3 Å²	59.3	11%	0.107	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.9	175.6	0	0	0	0	0	110.4	E63 L64 W84	E63-A82 CarbonylContact C-O 3.58Å; E63-A82 WeakPolarHBondContact CA-O 3.46Å; L64-A82 PolarHBondContact N-O 3Å; L64-A82 PolarHBondContact O-N 3.18Å; A82-W84 HydrophobicContact CB-CH2 3.47Å; A82-W84 VanDerWaalsContact CB-CH2 3.47Å; A82-W84 HydrophobicContact CB-CZ2 3.99Å; A82-W84 HydrophobicContact CB-CZ3 3.91Å
83	R	97	Very high	96.2	Very high	149 Å²	149	57.7 Å²	57.7	56%	0.562	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.3	-177.9	-178.5	173.8	-178.7	177.8	-10.4	111.4	D61 V62 E63	D61-R83 IonicContact OD1-CZ 2.75Å; D61-R83 IonicContact OD1-NE 3.62Å; D61-R83 PolarHBondContact OD1-NE 2.83Å; D61-R83 IonicContact OD1-NH2 3.13Å; D61-R83 PolarHBondContact OD1-NH2 2.89Å; D61-R83 IonicContact OD2-NH2 2.75Å; V62-R83 CarbonylContact O-C 3.58Å; V62-R83 VanDerWaalsContact O-CA 3.31Å; V62-R83 WeakPolarHBondContact O-CA 3.47Å; E63-R83 HydrophobicContact CG-CB 4.05Å; E63-R83 HydrophobicContact CG-CG 3.68Å; E63-R83 VanDerWaalsContact OE1-CD 3.23Å; E63-R83 WeakPolarHBondContact OE1-CD 3.38Å; E63-R83 IonicContact OE1-CZ 3.53Å; E63-R83 VanDerWaalsContact OE1-CZ 3.29Å; E63-R83 IonicContact OE1-NE 2.63Å; E63-R83 PolarHBondContact OE1-NE 2.96Å; E63-R83 IonicContact OE1-NH1 2.96Å; E63-R83 PolarHBondContact OE1-NH1 2.77Å
84	W	96.7	Very high	96.2	Very high	46 Å²	46	61.5 Å²	61.5	17%	0.174	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.9	171.8	-60.6	-90.3	0	0	0	109.5	I50 V62 L64 A82 V86 V87 V93 H95	I50-W84 HydrophobicContact CD1-CE3 3.9Å; I50-W84 HydrophobicContact CD1-CH2 4.01Å; I50-W84 HydrophobicContact CD1-CZ3 3.47Å; I50-W84 VanDerWaalsContact CD1-CZ3 3.47Å; V62-W84 HydrophobicContact CB-CB 4.44Å; V62-W84 HydrophobicContact CB-CE3 4.48Å; V62-W84 HydrophobicContact CG1-CE3 4.3Å; V62-W84 PolarHBondContact N-O 3.42Å; V62-W84 PolarHBondContact O-N 3.47Å; L64-W84 HydrophobicContact CB-CH2 4.16Å; L64-W84 HydrophobicContact CB-CZ3 3.7Å; L64-W84 HydrophobicContact CD2-CH2 4.08Å; L64-W84 HydrophobicContact CD2-CZ3 4.44Å; A82-W84 HydrophobicContact CB-CH2 3.47Å; A82-W84 VanDerWaalsContact CB-CH2 3.47Å; A82-W84 HydrophobicContact CB-CZ2 3.99Å; A82-W84 HydrophobicContact CB-CZ3 3.91Å; W84-V86 PolarHBondContact O-N 2.99Å; W84-V87 HydrophobicContact CB-CG2 4.15Å; W84-V93 HydrophobicContact CD2-CG2 4.04Å; W84-V93 HydrophobicContact CG-CG2 4.23Å; W84-H95 HydrophobicContact CH2-CB 3.72Å; W84-H95 HydrophobicContact CZ2-CB 3.74Å
85	P	95.1	Very high	96.2	Very high	100 Å²	100	60.6 Å²	60.6	65%	0.649	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	-37.4	176.3	-26.3	34.7	0	0	0	112.7	K60 D61	K60-P85 WeakPolarHBondContact CA-O 3.37Å; D61-P85 PolarHBondContact N-O 2.8Å
86	V	94.3	Very high	96.3	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.448	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.9	-179.1	-175.4	0	0	0	0	110.1	A58 A59 W84	A58-V86 HydrophobicContact CB-CG1 3.62Å; A59-V86 CarbonylContact O-C 3.56Å; A59-V86 WeakPolarHBondContact O-CA 3.4Å; W84-V86 PolarHBondContact O-N 2.99Å
87	V	95.8	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.7	163.3	-179.8	0	0	0	0	107.7	N52 A58 A59 V62 W84 V93	N52-V87 HydrophobicContact CB-CG1 3.86Å; N52-V87 PolarHBondContact ND2-O 3.47Å; N52-V87 VanDerWaalsContact ND2-O 3.16Å; A58-V87 CarbonylContact C-O 3.54Å; A58-V87 VanDerWaalsContact CA-O 3.29Å; A58-V87 WeakPolarHBondContact CA-O 3.35Å; A58-V87 WeakPolarHBondContact CB-O 3.37Å; A59-V87 HydrophobicContact CB-CB 4.38Å; A59-V87 PolarHBondContact N-O 2.85Å; A59-V87 PolarHBondContact O-N 3.19Å; V62-V87 HydrophobicContact CB-CG2 4.17Å; V62-V87 HydrophobicContact CG2-CB 4.33Å; V62-V87 HydrophobicContact CG2-CG2 3.7Å; W84-V87 HydrophobicContact CB-CG2 4.15Å; V87-V93 HydrophobicContact CG1-CG1 4.42Å; V87-V93 HydrophobicContact CG1-CG2 4.48Å; V87-V93 HydrophobicContact CG2-CG1 4.24Å; V87-V93 HydrophobicContact CG2-CG2 3.81Å
88	P	95.6	Very high	96.4	Very high	69 Å²	69	53.5 Å²	53.5	45%	0.448	33%	0.325	S	S	.	.			trans	-57	161.3	-175.7	-23.5	31.5	0	0	0	113.9	N52 S91	N52-P88 WeakPolarHBondContact CB-O 3.4Å; N52-P88 PolarHBondContact ND2-O 3.08Å; P88-S91 VanDerWaalsContact C-OG 3.25Å; P88-S91 WeakPolarHBondContact CA-OG 3.48Å; P88-S91 WeakPolarHBondContact CB-OG 3.45Å; P88-S91 VanDerWaalsContact CD-OG 3.27Å; P88-S91 WeakPolarHBondContact CD-OG 3.41Å; P88-S91 PolarHBondContact O-OG 2.89Å
89	A	93.6	Very high	96.5	Very high	29 Å²	29	51.3 Å²	51.3	24%	0.24	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	145.4	173	0	0	0	0	0	111.1	H54 E55 R57 S91	H54-A89 CarbonylContact O-C 3.54Å; H54-A89 WeakPolarHBondContact O-CA 3.4Å; H54-A89 WeakPolarHBondContact O-CB 3.45Å; E55-A89 WeakPolarHBondContact O-CB 3.46Å; R57-A89 WeakPolarHBondContact O-CA 3.5Å; R57-A89 WeakPolarHBondContact O-CB 3.23Å; A89-S91 PolarHBondContact O-N 3.06Å; A89-S91 VanDerWaalsContact O-N 3.09Å
90	S	94	Very high	96.6	Very high	84 Å²	84	51.3 Å²	51.3	59%	0.587	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.1	179	-54.3	0	0	0	0	113.8	N52 H54 E55	N52-S90 VanDerWaalsContact O-CA 3.3Å; N52-S90 WeakPolarHBondContact O-CA 3.25Å; N52-S90 PolarHBondContact O-N 3.06Å; H54-S90 PolarHBondContact O-N 2.86Å; H54-S90 PolarHBondContact O-OG 3.13Å; E55-S90 WeakPolarHBondContact CA-OG 3.39Å; E55-S90 PolarHBondContact O-OG 3.45Å
91	S	96.5	Very high	96.6	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	169.1	-175.5	80.6	0	0	0	0	111.6	N52 P88 A89	N52-S91 PolarHBondContact N-O 2.76Å; N52-S91 PolarHBondContact O-N 2.96Å; P88-S91 VanDerWaalsContact C-OG 3.25Å; P88-S91 WeakPolarHBondContact CA-OG 3.48Å; P88-S91 WeakPolarHBondContact CB-OG 3.45Å; P88-S91 VanDerWaalsContact CD-OG 3.27Å; P88-S91 WeakPolarHBondContact CD-OG 3.41Å; P88-S91 PolarHBondContact O-OG 2.89Å; A89-S91 PolarHBondContact O-N 3.06Å; A89-S91 VanDerWaalsContact O-N 3.09Å
92	N	96.4	Very high	96.7	Very high	85 Å²	85	49 Å²	49	46%	0.455	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.9	176.9	60.1	-3.6	0	0	0	112.3	T49 I50 Y51	T49-N92 HydrophobicContact CG2-CB 4.21Å; I50-N92 CarbonylContact O-C 3.52Å; I50-N92 WeakPolarHBondContact O-CA 3.42Å; I50-N92 VanDerWaalsContact O-CB 3.3Å; I50-N92 WeakPolarHBondContact O-CB 3.23Å; Y51-N92 HydrophobicContact CD1-CB 3.6Å; Y51-N92 HydrophobicContact CE1-CB 3.91Å; Y51-N92 VanDerWaalsContact CE1-ND2 3.3Å; Y51-N92 WeakPolarHBondContact CE1-ND2 3.46Å; Y51-N92 HydrophobicContact CG-CB 4.21Å
93	V	97.9	Very high	96.6	Very high	27 Å²	27	52.2 Å²	52.2	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.7	170.4	-64	0	0	0	0	109.1	T49 I50 W84 V87	T49-V93 WeakPolarHBondContact CA-O 3.43Å; I50-V93 HydrophobicContact CB-CG2 3.81Å; I50-V93 HydrophobicContact CD1-CG2 4.21Å; I50-V93 HydrophobicContact CG1-CG2 4.33Å; I50-V93 HydrophobicContact CG2-CG2 4.49Å; I50-V93 PolarHBondContact N-O 2.81Å; I50-V93 PolarHBondContact O-N 3.47Å; W84-V93 HydrophobicContact CD2-CG2 4.04Å; W84-V93 HydrophobicContact CG-CG2 4.23Å; V87-V93 HydrophobicContact CG1-CG1 4.42Å; V87-V93 HydrophobicContact CG1-CG2 4.48Å; V87-V93 HydrophobicContact CG2-CG1 4.24Å; V87-V93 HydrophobicContact CG2-CG2 3.81Å
94	T	97.4	Very high	96.5	Very high	86 Å²	86	48.1 Å²	48.1	53%	0.528	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.1	179.3	54	0	0	0	0	110.6	L47 Y48 T49	L47-T94 HydrophobicContact CD1-CG2 4.27Å; Y48-T94 CarbonylContact O-C 3.53Å; Y48-T94 WeakPolarHBondContact O-CA 3.15Å; T49-T94 HydrophobicContact CG2-CG2 3.82Å
95	H	98.3	Very high	96.5	Very high	32 Å²	32	47.5 Å²	47.5	15%	0.148	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.6	171.4	-171.9	51.4	0	0	0	109.5	Y48 L64 S79 W84	Y48-H95 HydrophobicContact CD2-CB 4.39Å; Y48-H95 PolarHBondContact N-O 3.26Å; Y48-H95 PolarHBondContact O-N 2.81Å; L64-H95 HydrophobicContact CD2-CB 4.2Å; S79-H95 PolarHBondContact O-NE2 2.99Å; W84-H95 HydrophobicContact CH2-CB 3.72Å; W84-H95 HydrophobicContact CZ2-CB 3.74Å
96	V	98.3	Very high	96.5	Very high	61 Å²	61	47.4 Å²	47.4	37%	0.37	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	-178.6	179.3	0	0	0	0	109.6	T45 I46 L47	T45-V96 HydrophobicContact CG2-CG1 3.49Å; T45-V96 VanDerWaalsContact CG2-CG1 3.49Å; I46-V96 WeakPolarHBondContact O-CA 3.3Å; L47-V96 HydrophobicContact CD1-CG2 3.63Å
97	I	97.7	Very high	96.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.3	173.7	-54.9	179.3	0	0	0	108.3	I46 Y48 L75 S79 L99	I46-I97 PolarHBondContact N-O 3.24Å; I46-I97 PolarHBondContact O-N 3.17Å; Y48-I97 HydrophobicContact CE2-CD1 3.64Å; Y48-I97 HydrophobicContact CE2-CG1 3.94Å; L75-I97 HydrophobicContact CD1-CG2 3.4Å; S79-I97 WeakPolarHBondContact O-CD1 3.42Å; I97-L99 HydrophobicContact CG2-CD2 3.68Å; I97-L99 HydrophobicContact CG2-CG 3.95Å
98	I	98.3	Very high	96.5	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.185	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.1	172.9	-57.2	177.1	0	0	0	108	E43 M44 I76 H77	E43-I98 HydrophobicContact CB-CG2 3.82Å; E43-I98 HydrophobicContact CG-CG2 4Å; M44-I98 WeakPolarHBondContact O-CA 3.49Å; I76-I98 HydrophobicContact CB-CB 4.48Å; I76-I98 HydrophobicContact CB-CG2 4.15Å; I76-I98 PolarHBondContact N-O 2.88Å; H77-I98 HydrophobicContact CB-CB 3.96Å; H77-I98 HydrophobicContact CB-CD1 4.06Å; H77-I98 HydrophobicContact CB-CG1 4.16Å; H77-I98 PolarHBondContact N-O 3.18Å; H77-I98 PolarHBondContact O-N 2.9Å
99	L	97.7	Very high	96.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.9	178.4	-59	179.3	0	0	0	109.5	E43 M44 I46 F68 F73 T74 L75 I97	E43-L99 CarbonylContact C-O 3.57Å; E43-L99 WeakPolarHBondContact CA-O 3.47Å; M44-L99 HydrophobicContact CG-CB 4.1Å; M44-L99 WeakPolarHBondContact CG-O 3.38Å; M44-L99 PolarHBondContact N-O 3.22Å; M44-L99 PolarHBondContact O-N 2.88Å; I46-L99 HydrophobicContact CD1-CD1 3.75Å; F68-L99 HydrophobicContact CB-CD1 4.42Å; F68-L99 HydrophobicContact CD1-CD1 3.47Å; F68-L99 VanDerWaalsContact CD1-CD1 3.47Å; F68-L99 HydrophobicContact CD2-CD1 3.92Å; F68-L99 HydrophobicContact CE1-CD1 3.58Å; F68-L99 HydrophobicContact CE2-CD1 4.02Å; F68-L99 HydrophobicContact CG-CD1 3.65Å; F68-L99 HydrophobicContact CZ-CD1 3.87Å; F73-L99 HydrophobicContact CB-CB 4.49Å; F73-L99 HydrophobicContact CB-CD1 4.48Å; F73-L99 HydrophobicContact CD1-CB 4.21Å; F73-L99 HydrophobicContact CD1-CD1 4.28Å; F73-L99 HydrophobicContact CG-CD1 4.43Å; T74-L99 CarbonylContact O-C 3.6Å; T74-L99 WeakPolarHBondContact O-CA 3.3Å; L75-L99 HydrophobicContact CB-CD2 4.16Å; L75-L99 HydrophobicContact CD1-CD2 3.63Å; I97-L99 HydrophobicContact CG2-CD2 3.68Å; I97-L99 HydrophobicContact CG2-CG 3.95Å
100	K	98	Very high	96.6	Very high	51 Å²	51	48.5 Å²	48.5	22%	0.222	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.9	170.5	-175.8	-178.7	61.3	135.3	0	109.2	E41 T74 I76 Q102	E41-K100 WeakPolarHBondContact OE2-CE 3.41Å; E41-K100 IonicContact OE2-NZ 3.35Å; E41-K100 PolarHBondContact OE2-NZ 3.38Å; T74-K100 PolarHBondContact N-O 3.06Å; T74-K100 PolarHBondContact O-N 3.46Å; I76-K100 HydrophobicContact CD1-CB 3.97Å; I76-K100 HydrophobicContact CG1-CB 3.87Å; K100-Q102 VanDerWaalsContact CE-NE2 3.28Å; K100-Q102 PolarHBondContact O-N 2.81Å; K100-Q102 PolarHBondContact O-NE2 2.95Å
101	P	97.9	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.7	177.4	-14.3	28.5	0	0	0	110.8	I38 E41 K42 M44 E72 F73 I137	I38-P101 HydrophobicContact CG2-CG 3.78Å; E41-P101 PolarHBondContact N-O 2.76Å; K42-P101 WeakPolarHBondContact O-CD 3.05Å; M44-P101 HydrophobicContact CG-CG 4.24Å; M44-P101 HydrophobicContact SD-CG 3.85Å; E72-P101 CarbonylContact O-C 3.59Å; E72-P101 WeakPolarHBondContact O-CA 3.42Å; F73-P101 HydrophobicContact CD1-CB 3.95Å; F73-P101 HydrophobicContact CD1-CG 3.98Å; F73-P101 HydrophobicContact CE1-CB 3.82Å; F73-P101 HydrophobicContact CE1-CG 3.8Å; P101-I137 HydrophobicContact CB-CD1 3.99Å; P101-I137 HydrophobicContact CB-CG2 3.91Å; P101-I137 HydrophobicContact CG-CD1 4.44Å; P101-I137 HydrophobicContact CG-CG2 4.32Å
102	Q	97	Very high	96.7	Very high	53 Å²	53	44.8 Å²	44.8	25%	0.248	26%	0.257	C	S	.	.			trans	-94.3	-27	-179.7	-62.7	-60.6	-82.7	0	0	112.4	Q40 E41 E72 K100	Q40-Q102 WeakPolarHBondContact CG-O 2.99Å; Q40-Q102 PolarHBondContact NE2-O 3.31Å; E41-Q102 VanDerWaalsContact CD-NE2 3.32Å; E41-Q102 WeakPolarHBondContact OE1-CA 3.22Å; E41-Q102 VanDerWaalsContact OE1-CD 3.23Å; E41-Q102 PolarHBondContact OE1-NE2 2.74Å; E41-Q102 PolarHBondContact OE1-OE1 3.14Å; E41-Q102 PolarHBondContact OE2-NE2 2.9Å; E72-Q102 PolarHBondContact O-N 2.63Å; K100-Q102 VanDerWaalsContact CE-NE2 3.28Å; K100-Q102 PolarHBondContact O-N 2.81Å; K100-Q102 PolarHBondContact O-NE2 2.95Å
103	I	95	Very high	96.7	Very high	80 Å²	80	42.6 Å²	42.6	41%	0.41	25%	0.246	S	C	.	.	S	Bend	trans	-116.2	148.7	179.4	63	169	0	0	0	111.4	E72 I137	E72-I103 HydrophobicContact CB-CD1 4.23Å; E72-I103 HydrophobicContact CB-CG1 4.24Å; E72-I103 HydrophobicContact CG-CD1 3.68Å; E72-I103 HydrophobicContact CG-CG1 4.24Å; I103-I137 WeakPolarHBondContact O-CG2 3.24Å
104	N	95.3	Very high	96.7	Very high	63 Å²	63	41.3 Å²	41.3	34%	0.337	24%	0.238	S	C	.	.			trans	-94.9	152.9	172.4	68.1	-78.4	0	0	0	110.5	Q40 I137 R139	Q40-N104 HydrophobicContact CB-CB 4.28Å; N104-I137 WeakPolarHBondContact CA-O 3.21Å; N104-I137 WeakPolarHBondContact CB-O 3.14Å; N104-R139 HydrophobicContact CB-CG 3.79Å; N104-R139 WeakPolarHBondContact ND2-CG 3.23Å; N104-R139 PolarHBondContact ND2-NE 3.39Å
105	G	95.9	Very high	96.6	Very high	32 Å²	32	39.3 Å²	39.3	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-175.7	-179.3	0	0	0	0	0	112.1	I137	G105-I137 PolarHBondContact N-O 2.79Å; G105-I137 PolarHBondContact O-N 3.2Å
106	V	96.2	Very high	96.4	Very high	98 Å²	98	38.8 Å²	38.8	59%	0.594	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.6	171.6	-176.5	0	0	0	0	107.9	L134 L135	V106-L134 HydrophobicContact CG1-CB 4.04Å; V106-L134 HydrophobicContact CG1-CD2 3.87Å; V106-L134 HydrophobicContact CG1-CG 4.47Å; V106-L135 WeakPolarHBondContact CA-O 3.47Å
107	H	95.4	Very high	95.9	Very high	42 Å²	42	39.1 Å²	39.1	19%	0.194	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.4	176.8	-177.4	84.2	0	0	0	109.7	E72 F73 F109 L134 L135 I137	E72-H107 IonicContact OE2-CE1 3.89Å; E72-H107 PolarHBondContact OE2-CE1 3.16Å; E72-H107 IonicContact OE2-ND1 3.89Å; E72-H107 PolarHBondContact OE2-ND1 3.09Å; F73-H107 AromaticContact CE2-CE1 3.5Å; F73-H107 VanDerWaalsContact CE2-CE1 3.5Å; F73-H107 WeakPolarHBondContact CE2-CE1 3.34Å; F73-H107 AromaticContact CE2-ND1 3.79Å; F73-H107 AromaticContact CE2-NE2 3.64Å; F73-H107 AromaticContact CZ-CD2 3.76Å; F73-H107 AromaticContact CZ-CE1 3.99Å; F73-H107 AromaticContact CZ-CG 3.88Å; F73-H107 AromaticContact CZ-NE2 3.83Å; H107-F109 HydrophobicContact CB-CE2 4.31Å; H107-F109 AromaticContact CD2-CD1 3.85Å; H107-F109 AromaticContact CD2-CD2 3.89Å; H107-F109 AromaticContact CD2-CE1 3.73Å; H107-F109 AromaticContact CD2-CE2 3.77Å; H107-F109 AromaticContact CD2-CG 3.94Å; H107-F109 AromaticContact CD2-CZ 3.7Å; H107-L134 WeakPolarHBondContact O-CA 3.11Å; H107-L135 PolarHBondContact N-O 2.66Å; H107-L135 PolarHBondContact O-N 2.85Å; H107-I137 HydrophobicContact CB-CD1 3.74Å; H107-I137 HydrophobicContact CB-CG1 4.49Å
108	N	94.4	Very high	95	Very high	93 Å²	93	39.5 Å²	39.5	50%	0.497	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	104.7	178.7	-171.7	10.3	0	0	0	110.7	S110 L134	N108-S110 PolarHBondContact O-N 3Å; N108-S110 VanDerWaalsContact O-N 3.09Å; N108-L134 HydrophobicContact CB-CD2 3.64Å
109	F	95.1	Very high	93.6	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	92.9	173.8	-65.9	-82.6	0	0	0	109.8	I33 I38 M44 F73 H107 P132 G133 L135	I33-F109 HydrophobicContact CD1-CB 4.13Å; I33-F109 HydrophobicContact CD1-CD1 3.76Å; I33-F109 HydrophobicContact CD1-CD2 3.61Å; I33-F109 HydrophobicContact CD1-CE1 4.01Å; I33-F109 HydrophobicContact CD1-CE2 3.88Å; I33-F109 HydrophobicContact CD1-CG 3.54Å; I33-F109 HydrophobicContact CD1-CZ 4.06Å; I38-F109 HydrophobicContact CD1-CE2 3.99Å; I38-F109 HydrophobicContact CD1-CZ 4.14Å; M44-F109 HydrophobicContact CE-CE1 3.74Å; M44-F109 HydrophobicContact CE-CZ 3.73Å; M44-F109 HydrophobicContact SD-CE1 4.17Å; M44-F109 HydrophobicContact SD-CZ 3.98Å; F73-F109 HydrophobicContact CE1-CE1 4.13Å; F73-F109 HydrophobicContact CE1-CZ 4.15Å; F73-F109 AromaticContact CZ-CE1 3.92Å; F73-F109 HydrophobicContact CZ-CE1 3.92Å; F73-F109 AromaticContact CZ-CZ 3.97Å; F73-F109 HydrophobicContact CZ-CZ 3.97Å; H107-F109 HydrophobicContact CB-CE2 4.31Å; H107-F109 AromaticContact CD2-CD1 3.85Å; H107-F109 AromaticContact CD2-CD2 3.89Å; H107-F109 AromaticContact CD2-CE1 3.73Å; H107-F109 AromaticContact CD2-CE2 3.77Å; H107-F109 AromaticContact CD2-CG 3.94Å; H107-F109 AromaticContact CD2-CZ 3.7Å; F109-P132 HydrophobicContact CB-CB 4.06Å; F109-P132 HydrophobicContact CB-CG 4.2Å; F109-P132 WeakPolarHBondContact O-CD 3.3Å; F109-G133 PolarHBondContact N-O 2.8Å; F109-G133 PolarHBondContact O-N 2.92Å; F109-L135 HydrophobicContact CD2-CB 3.94Å; F109-L135 HydrophobicContact CD2-CD1 3.83Å; F109-L135 HydrophobicContact CD2-CG 4.09Å; F109-L135 HydrophobicContact CE2-CB 3.85Å; F109-L135 HydrophobicContact CE2-CD1 4.06Å; F109-L135 HydrophobicContact CE2-CG 4.4Å
110	S	95	Very high	92.1	Very high	60 Å²	60	45.8 Å²	45.8	42%	0.42	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-69.5	172	176.5	60.6	0	0	0	0	112.4	K31 N108	K31-S110 PolarHBondContact NZ-O 3.44Å; N108-S110 PolarHBondContact O-N 3Å; N108-S110 VanDerWaalsContact O-N 3.09Å
111	S	96.2	Very high	90.3	Very high	37 Å²	37	48.3 Å²	48.3	26%	0.259	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.3	141.8	174.5	53.8	0	0	0	0	112	S129	S111-S129 WeakPolarHBondContact CB-O 3.28Å
112	A	97.5	Very high	88.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-72.5	159.8	163.7	0	0	0	0	0	110.8	Y48 L64 D66 Y128 S129	Y48-A112 HydrophobicContact CD1-CB 4.29Å; Y48-A112 HydrophobicContact CE1-CB 3.83Å; L64-A112 HydrophobicContact CD1-CB 3.65Å; D66-A112 HydrophobicContact CB-CB 3.83Å; A112-Y128 WeakPolarHBondContact O-CA 3.37Å; A112-S129 PolarHBondContact N-OG 2.86Å; A112-S129 PolarHBondContact O-N 3.47Å
113	T	97.3	Very high	87.8	Confident	39 Å²	39	60.8 Å²	60.8	24%	0.239	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.5	175.9	-70.2	0	0	0	0	110.3	F65 F126	F65-T113 PolarHBondContact N-O 2.95Å; F65-T113 PolarHBondContact O-N 3.44Å; T113-F126 HydrophobicContact CG2-CD2 4.03Å; T113-F126 HydrophobicContact CG2-CE1 4.13Å; T113-F126 HydrophobicContact CG2-CE2 3.13Å; T113-F126 HydrophobicContact CG2-CZ 3.18Å
114	I	96.6	Very high	87.3	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.1	178	-57.9	92.5	0	0	0	109.3	V29 V62 E63 L64 F126 L127	V29-I114 HydrophobicContact CB-CD1 3.79Å; V29-I114 HydrophobicContact CB-CG1 4.39Å; V29-I114 HydrophobicContact CG1-CD1 3.75Å; V29-I114 HydrophobicContact CG1-CG1 4.24Å; V29-I114 HydrophobicContact CG2-CB 4.46Å; V29-I114 HydrophobicContact CG2-CD1 3.75Å; V29-I114 HydrophobicContact CG2-CG1 3.88Å; V62-I114 HydrophobicContact CG1-CG2 3.89Å; E63-I114 CarbonylContact O-C 3.49Å; E63-I114 VanDerWaalsContact O-CA 3.24Å; E63-I114 WeakPolarHBondContact O-CA 3.32Å; L64-I114 HydrophobicContact CD1-CD1 3.98Å; L64-I114 HydrophobicContact CD1-CG1 3.65Å; I114-F126 CarbonylContact O-C 3.56Å; I114-L127 HydrophobicContact CB-CB 4.38Å; I114-L127 PolarHBondContact N-O 3.25Å; I114-L127 PolarHBondContact O-N 3.41Å
115	T	95.1	Very high	87.1	Confident	44 Å²	44	59.6 Å²	59.6	27%	0.27	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142	171.6	56.1	0	0	0	0	109.3	V62 E63 S125 F126	V62-T115 CarbonylContact C-O 3.53Å; V62-T115 WeakPolarHBondContact CA-O 3.29Å; E63-T115 PolarHBondContact N-O 2.83Å; E63-T115 PolarHBondContact O-N 2.82Å; T115-S125 WeakPolarHBondContact CA-O 3.27Å; T115-F126 HydrophobicContact CG2-CD2 3.85Å; T115-F126 HydrophobicContact CG2-CE2 4.45Å
116	Y	93.9	Very high	86.9	Confident	21 Å²	21	63.3 Å²	63.3	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.1	177.1	67.8	-82.7	0	0	0	110.7	V25 L27 A59 S124 S125 L127	V25-Y116 HydrophobicContact CB-CE2 4.47Å; V25-Y116 HydrophobicContact CG1-CE2 4.43Å; V25-Y116 WeakPolarHBondContact O-CE2 3.06Å; V25-Y116 PolarHBondContact O-OH 2.84Å; L27-Y116 HydrophobicContact CB-CE1 4.36Å; L27-Y116 HydrophobicContact CD1-CD1 3.74Å; L27-Y116 HydrophobicContact CD1-CD2 4.13Å; L27-Y116 HydrophobicContact CD1-CE1 4.16Å; L27-Y116 HydrophobicContact CD1-CG 3.71Å; L27-Y116 HydrophobicContact CG-CD1 4.27Å; L27-Y116 HydrophobicContact CG-CD2 4.38Å; L27-Y116 HydrophobicContact CG-CE1 4.2Å; L27-Y116 HydrophobicContact CG-CE2 4.31Å; L27-Y116 HydrophobicContact CG-CG 4.35Å; A59-Y116 HydrophobicContact CB-CD2 4.19Å; Y116-S124 CarbonylContact O-C 3.55Å; Y116-S124 WeakPolarHBondContact O-CA 3.16Å; Y116-S125 PolarHBondContact N-O 2.87Å; Y116-S125 PolarHBondContact O-N 2.81Å; Y116-L127 HydrophobicContact CE1-CB 4.39Å
117	K	89.1	Confident	86.7	Confident	67 Å²	67	60.8 Å²	60.8	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	173.7	-70.4	167	-178.3	151.5	0	109.6	K60 D61 L121	K60-K117 PolarHBondContact N-O 3.11Å; K60-K117 PolarHBondContact O-N 2.87Å; D61-K117 HydrophobicContact CB-CD 4.14Å; D61-K117 IonicContact OD2-NZ 3.25Å; D61-K117 PolarHBondContact OD2-NZ 3.26Å; K117-L121 HydrophobicContact CD-CD2 4.49Å
118	S	78.4	Confident	86.8	Confident	10 Å²	10	65.5 Å²	65.5	7%	0.07	34%	0.341	C	S	.	.			trans	-71.1	170.3	165	-166.1	0	0	0	0	109.3	D120 L121	S118-D120 CarbonylContact O-C 3.17Å; S118-D120 PolarHBondContact O-N 2.97Å; S118-L121 PolarHBondContact O-N 2.85Å
119	T	68	Low	86.9	Confident	62 Å²	62	61.5 Å²	61.5	38%	0.38	32%	0.321	S	S	.	.	S	Bend	trans	-43.6	-39.8	-178.5	41.9	0	0	0	0	113.9	R57 L121	R57-T119 HydrophobicContact CB-CG2 4.34Å; R57-T119 HydrophobicContact CG-CG2 4.23Å; R57-T119 PolarHBondContact NH1-OG1 2.93Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 3.24Å
120	D	65.9	Low	87	Confident	108 Å²	108	63.9 Å²	63.9	58%	0.578	34%	0.337	S	S	*	.	S	Bend	trans	-73.3	89.2	165.9	-163.7	1.5	0	0	0	109	S118 Q122 K123	S118-D120 CarbonylContact O-C 3.17Å; S118-D120 PolarHBondContact O-N 2.97Å; D120-Q122 PolarHBondContact O-N 3.23Å; D120-Q122 WeakPolarHBondContact OD1-CG 3.39Å; D120-K123 PolarHBondContact O-N 2.94Å
121	L	62.1	Low	86.9	Confident	103 Å²	103	63.8 Å²	63.8	54%	0.539	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-9.5	-176	-75.2	163.9	0	0	0	114.7	K60 K117 S118 T119	K60-L121 HydrophobicContact CD-CD2 3.95Å; K117-L121 HydrophobicContact CD-CD2 4.49Å; S118-L121 PolarHBondContact O-N 2.85Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 3.24Å
122	Q	66.3	Low	86.8	Confident	173 Å²	173	64.1 Å²	64.1	81%	0.808	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-36.5	175.5	-63	-94.9	-22.3	0	0	112.7	D120	D120-Q122 PolarHBondContact O-N 3.23Å; D120-Q122 WeakPolarHBondContact OD1-CG 3.39Å
123	K	74.9	Confident	86.7	Confident	143 Å²	143	64.9 Å²	64.9	62%	0.622	35%	0.35	S	S	*	.			trans	-99.9	103.7	-171.6	-165.1	174.2	-171.9	179.2	0	111.7	D120	D120-K123 PolarHBondContact O-N 2.94Å
124	S	85.1	Confident	86.6	Confident	85 Å²	85	69 Å²	69	59%	0.594	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.6	163.3	52.9	0	0	0	0	109.6	Y116	Y116-S124 CarbonylContact O-C 3.55Å; Y116-S124 WeakPolarHBondContact O-CA 3.16Å
125	S	89.7	Confident	86.6	Confident	33 Å²	33	71.8 Å²	71.8	23%	0.231	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.8	171.2	-61.4	0	0	0	0	108.5	T115 Y116	T115-S125 WeakPolarHBondContact CA-O 3.27Å; Y116-S125 PolarHBondContact N-O 2.87Å; Y116-S125 PolarHBondContact O-N 2.81Å
126	F	92.2	Very high	86.7	Confident	109 Å²	109	73.1 Å²	73.1	48%	0.478	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	-179.4	-175.5	-74.1	0	0	0	108.7	T113 I114 T115 Y128	T113-F126 HydrophobicContact CG2-CD2 4.03Å; T113-F126 HydrophobicContact CG2-CE1 4.13Å; T113-F126 HydrophobicContact CG2-CE2 3.13Å; T113-F126 HydrophobicContact CG2-CZ 3.18Å; I114-F126 CarbonylContact O-C 3.56Å; T115-F126 HydrophobicContact CG2-CD2 3.85Å; T115-F126 HydrophobicContact CG2-CE2 4.45Å; F126-Y128 HydrophobicContact CD1-CD2 4.47Å; F126-Y128 HydrophobicContact CD1-CE2 4.09Å; F126-Y128 AromaticContact CE1-CD1 3.89Å; F126-Y128 HydrophobicContact CE1-CD1 3.89Å; F126-Y128 AromaticContact CE1-CD2 3.88Å; F126-Y128 HydrophobicContact CE1-CD2 3.88Å; F126-Y128 AromaticContact CE1-CE1 3.44Å; F126-Y128 HydrophobicContact CE1-CE1 3.44Å; F126-Y128 VanDerWaalsContact CE1-CE1 3.44Å; F126-Y128 AromaticContact CE1-CE2 3.43Å; F126-Y128 HydrophobicContact CE1-CE2 3.43Å; F126-Y128 VanDerWaalsContact CE1-CE2 3.43Å; F126-Y128 HydrophobicContact CE1-CG 4.1Å; F126-Y128 AromaticContact CE1-CZ 3.2Å; F126-Y128 WeakPolarHBondContact CE1-OH 3.49Å; F126-Y128 HydrophobicContact CZ-CD1 4.34Å; F126-Y128 AromaticContact CZ-CE1 3.69Å; F126-Y128 HydrophobicContact CZ-CE1 3.69Å; F126-Y128 HydrophobicContact CZ-CE2 4.39Å; F126-Y128 AromaticContact CZ-CZ 3.72Å
127	L	93.3	Very high	86.9	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.241	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.4	-177.8	178.1	65.6	0	0	0	110.1	L27 V29 I114 Y116	L27-L127 HydrophobicContact CB-CD2 3.81Å; L27-L127 WeakPolarHBondContact O-CD2 3.45Å; V29-L127 HydrophobicContact CG2-CD2 3.88Å; I114-L127 HydrophobicContact CB-CB 4.38Å; I114-L127 PolarHBondContact N-O 3.25Å; I114-L127 PolarHBondContact O-N 3.41Å; Y116-L127 HydrophobicContact CE1-CB 4.39Å
128	Y	96.5	Very high	87.3	Confident	140 Å²	140	71.2 Å²	71.2	55%	0.549	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.5	170.2	-64.5	-78.2	0	0	0	110.4	A112 F126	A112-Y128 WeakPolarHBondContact O-CA 3.37Å; F126-Y128 HydrophobicContact CD1-CD2 4.47Å; F126-Y128 HydrophobicContact CD1-CE2 4.09Å; F126-Y128 AromaticContact CE1-CD1 3.89Å; F126-Y128 HydrophobicContact CE1-CD1 3.89Å; F126-Y128 AromaticContact CE1-CD2 3.88Å; F126-Y128 HydrophobicContact CE1-CD2 3.88Å; F126-Y128 AromaticContact CE1-CE1 3.44Å; F126-Y128 HydrophobicContact CE1-CE1 3.44Å; F126-Y128 VanDerWaalsContact CE1-CE1 3.44Å; F126-Y128 AromaticContact CE1-CE2 3.43Å; F126-Y128 HydrophobicContact CE1-CE2 3.43Å; F126-Y128 VanDerWaalsContact CE1-CE2 3.43Å; F126-Y128 HydrophobicContact CE1-CG 4.1Å; F126-Y128 AromaticContact CE1-CZ 3.2Å; F126-Y128 WeakPolarHBondContact CE1-OH 3.49Å; F126-Y128 HydrophobicContact CZ-CD1 4.34Å; F126-Y128 AromaticContact CZ-CE1 3.69Å; F126-Y128 HydrophobicContact CZ-CE1 3.69Å; F126-Y128 HydrophobicContact CZ-CE2 4.39Å; F126-Y128 AromaticContact CZ-CZ 3.72Å
129	S	96.9	Very high	88.2	Confident	10 Å²	10	78 Å²	78	7%	0.07	41%	0.409	C	S	.	.			trans	-73.1	172.5	166.5	73.4	0	0	0	0	111.6	V29 S111 A112	V29-S129 CarbonylContact O-C 3.57Å; V29-S129 VanDerWaalsContact O-CA 3.29Å; V29-S129 WeakPolarHBondContact O-CA 3.48Å; S111-S129 WeakPolarHBondContact CB-O 3.28Å; A112-S129 PolarHBondContact N-OG 2.86Å; A112-S129 PolarHBondContact O-N 3.47Å
130	S	96.3	Very high	89.5	Confident	51 Å²	51	77.7 Å²	77.7	36%	0.357	41%	0.405	S	S	.	.			trans	-55.7	158.2	158.7	62.1	0	0	0	0	110.9	V29 K31	V29-S130 PolarHBondContact O-N 2.95Å; K31-S130 WeakPolarHBondContact CB-O 3.3Å; K31-S130 PolarHBondContact N-OG 2.84Å; K31-S130 PolarHBondContact O-OG 3.34Å; K31-S130 VanDerWaalsContact O-OG 3.06Å
131	A	94.2	Very high	90.9	Very high	58 Å²	58	80.9 Å²	80.9	48%	0.479	41%	0.414	S	S	.	.			trans	-120.1	115.1	175.5	0	0	0	0	0	108.1	G133	A131-G133 PolarHBondContact O-N 2.97Å
132	P	93.9	Very high	92.5	Very high	43 Å²	43	79.5 Å²	79.5	28%	0.279	41%	0.405	S	S	.	.			trans	-57.5	-26.6	174.3	-25.3	33.3	0	0	0	113.1	K31 I33 F109 L135	K31-P132 HydrophobicContact CD-CG 4.31Å; K31-P132 HydrophobicContact CG-CG 4.08Å; I33-P132 HydrophobicContact CD1-CB 4.06Å; I33-P132 HydrophobicContact CD1-CG 4.16Å; I33-P132 HydrophobicContact CG1-CG 4.36Å; F109-P132 HydrophobicContact CB-CB 4.06Å; F109-P132 HydrophobicContact CB-CG 4.2Å; F109-P132 WeakPolarHBondContact O-CD 3.3Å; P132-L135 HydrophobicContact CB-CD1 4.42Å
133	G	95.3	Very high	93.9	Very high	18 Å²	18	74.2 Å²	74.2	19%	0.186	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-148.9	175.3	0	0	0	0	0	113	F109 A131 L135	F109-G133 PolarHBondContact N-O 2.8Å; F109-G133 PolarHBondContact O-N 2.92Å; A131-G133 PolarHBondContact O-N 2.97Å; G133-L135 PolarHBondContact O-N 2.94Å
134	L	96.1	Very high	94.8	Very high	125 Å²	125	70.8 Å²	70.8	65%	0.654	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.4	-175.5	-67.1	169.3	0	0	0	111	V106 H107 N108	V106-L134 HydrophobicContact CG1-CB 4.04Å; V106-L134 HydrophobicContact CG1-CD2 3.87Å; V106-L134 HydrophobicContact CG1-CG 4.47Å; H107-L134 WeakPolarHBondContact O-CA 3.11Å; N108-L134 HydrophobicContact CB-CD2 3.64Å
135	L	95.6	Very high	95.2	Very high	59 Å²	59	74.6 Å²	74.6	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.5	173.8	-63.7	177.5	0	0	0	110.7	I33 I38 V106 H107 F109 P132 G133	I33-L135 HydrophobicContact CB-CD1 4.48Å; I33-L135 HydrophobicContact CD1-CD1 3.38Å; I33-L135 HydrophobicContact CG1-CD1 4.49Å; I38-L135 HydrophobicContact CD1-CB 4.24Å; I38-L135 HydrophobicContact CD1-CD1 3.97Å; V106-L135 WeakPolarHBondContact CA-O 3.47Å; H107-L135 PolarHBondContact N-O 2.66Å; H107-L135 PolarHBondContact O-N 2.85Å; F109-L135 HydrophobicContact CD2-CB 3.94Å; F109-L135 HydrophobicContact CD2-CD1 3.83Å; F109-L135 HydrophobicContact CD2-CG 4.09Å; F109-L135 HydrophobicContact CE2-CB 3.85Å; F109-L135 HydrophobicContact CE2-CD1 4.06Å; F109-L135 HydrophobicContact CE2-CG 4.4Å; P132-L135 HydrophobicContact CB-CD1 4.42Å; G133-L135 PolarHBondContact O-N 2.94Å
136	T	97	Very high	95.3	Very high	71 Å²	71	79.5 Å²	79.5	44%	0.436	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.8	179.1	-57.8	0	0	0	0	110.3	H138	T136-H138 PolarHBondContact O-CD2 3.46Å
137	I	97.9	Very high	95.3	Very high	5 Å²	5	79.4 Å²	79.4	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.5	166.6	-57.6	163.8	0	0	0	107.4	I38 Q40 F73 P101 I103 N104 G105 H107	I38-I137 HydrophobicContact CB-CG1 4.41Å; I38-I137 HydrophobicContact CG2-CB 4.46Å; I38-I137 HydrophobicContact CG2-CG1 3.91Å; I38-I137 HydrophobicContact CG2-CG2 4.23Å; Q40-I137 HydrophobicContact CB-CG2 4.45Å; F73-I137 HydrophobicContact CE1-CD1 4.17Å; F73-I137 HydrophobicContact CZ-CD1 3.99Å; P101-I137 HydrophobicContact CB-CD1 3.99Å; P101-I137 HydrophobicContact CB-CG2 3.91Å; P101-I137 HydrophobicContact CG-CD1 4.44Å; P101-I137 HydrophobicContact CG-CG2 4.32Å; I103-I137 WeakPolarHBondContact O-CG2 3.24Å; N104-I137 WeakPolarHBondContact CA-O 3.21Å; N104-I137 WeakPolarHBondContact CB-O 3.14Å; G105-I137 PolarHBondContact N-O 2.79Å; G105-I137 PolarHBondContact O-N 3.2Å; H107-I137 HydrophobicContact CB-CD1 3.74Å; H107-I137 HydrophobicContact CB-CG1 4.49Å
138	H	97.3	Very high	95.3	Very high	43 Å²	43	80.2 Å²	80.2	20%	0.199	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	154.5	-179.4	-69.1	-88.2	0	0	0	111.6	I38 F39 Q40 T136 E142	I38-H138 WeakPolarHBondContact O-CB 3.43Å; I38-H138 PolarHBondContact O-N 2.81Å; F39-H138 CarbonylContact C-O 3.57Å; F39-H138 WeakPolarHBondContact CA-O 3.31Å; F39-H138 HydrophobicContact CD1-CB 3.37Å; F39-H138 HydrophobicContact CE1-CB 3.45Å; F39-H138 VanDerWaalsContact CE1-CB 3.45Å; F39-H138 HydrophobicContact CG-CB 4.31Å; F39-H138 HydrophobicContact CZ-CB 4.44Å; Q40-H138 PolarHBondContact N-O 3.46Å; T136-H138 PolarHBondContact O-CD2 3.46Å; H138-E142 IonicContact CE1-OE2 3.22Å; H138-E142 IonicContact CG-OE2 3.69Å; H138-E142 IonicContact ND1-OE2 2.6Å; H138-E142 PolarHBondContact ND1-OE2 3.31Å
139	R	97.2	Very high	95.3	Very high	152 Å²	152	77.6 Å²	77.6	57%	0.574	39%	0.394	S	S	*	.			trans	-68.8	148.6	176.8	-68.1	178.1	-175.2	176.1	4.5	111	N104 K141 E142 Y143	N104-R139 HydrophobicContact CB-CG 3.79Å; N104-R139 WeakPolarHBondContact ND2-CG 3.23Å; N104-R139 PolarHBondContact ND2-NE 3.39Å; R139-K141 PolarHBondContact O-N 3.47Å; R139-K141 VanDerWaalsContact O-N 3.11Å; R139-E142 WeakPolarHBondContact O-CB 3.48Å; R139-E142 PolarHBondContact O-N 3.27Å; R139-Y143 PolarHBondContact O-N 3.02Å
140	L	95.7	Very high	95.2	Very high	57 Å²	57	79.9 Å²	79.9	30%	0.298	40%	0.403	S	S	.	.	H	α-helix	trans	-55.1	-32.3	174.8	-178.3	62.3	0	0	0	113	E41 K42 E142 Y143 N144	E41-L140 HydrophobicContact CB-CD2 4.39Å; K42-L140 HydrophobicContact CG-CD1 4.38Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.33Å; L140-Y143 HydrophobicContact CD1-CD1 4.36Å; L140-Y143 WeakPolarHBondContact O-CB 3.45Å; L140-Y143 PolarHBondContact O-N 3.43Å; L140-N144 PolarHBondContact O-N 3.38Å
141	K	95.6	Very high	95.2	Very high	175 Å²	175	81.2 Å²	81.2	76%	0.761	41%	0.409	S	S	*	.	H	α-helix	trans	-60.2	-36.5	175.3	-174.4	178	179.5	178.4	0	112.9	R139 N144 K145	R139-K141 PolarHBondContact O-N 3.47Å; R139-K141 VanDerWaalsContact O-N 3.11Å; K141-N144 PolarHBondContact O-N 3.36Å; K141-K145 PolarHBondContact O-N 3.47Å; K141-K145 VanDerWaalsContact O-N 3.08Å
142	E	95.6	Very high	95.3	Very high	74 Å²	74	85 Å²	85	35%	0.346	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-37.6	178.5	-65.5	-174	-177.3	0	0	111.5	F39 H138 R139 L140 K145 R146	F39-E142 HydrophobicContact CE1-CB 4.19Å; H138-E142 IonicContact CE1-OE2 3.22Å; H138-E142 IonicContact CG-OE2 3.69Å; H138-E142 IonicContact ND1-OE2 2.6Å; H138-E142 PolarHBondContact ND1-OE2 3.31Å; R139-E142 WeakPolarHBondContact O-CB 3.48Å; R139-E142 PolarHBondContact O-N 3.27Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.33Å; E142-K145 PolarHBondContact O-N 3.2Å; E142-R146 WeakPolarHBondContact O-CB 3.39Å; E142-R146 WeakPolarHBondContact O-CG 3.39Å; E142-R146 PolarHBondContact O-N 3.09Å; E142-R146 VanDerWaalsContact O-N 3.13Å
143	Y	95.2	Very high	95.4	Very high	62 Å²	62	89.1 Å²	89.1	24%	0.243	44%	0.436	C	S	.	.	H	α-helix	trans	-57.1	-52.8	170.3	176.2	-92.7	0	0	0	110.6	F39 K42 R139 L140 K145 R146 F147	F39-Y143 AromaticContact CD2-CD2 3.68Å; F39-Y143 HydrophobicContact CD2-CD2 3.68Å; F39-Y143 HydrophobicContact CD2-CG 4.4Å; F39-Y143 AromaticContact CE2-CD2 3.98Å; F39-Y143 HydrophobicContact CE2-CD2 3.98Å; F39-Y143 AromaticContact CG-CD2 3.99Å; F39-Y143 HydrophobicContact CG-CD2 3.99Å; F39-Y143 HydrophobicContact CG-CG 4.27Å; K42-Y143 HydrophobicContact CD-CE1 4.38Å; K42-Y143 HydrophobicContact CG-CD2 4.37Å; K42-Y143 HydrophobicContact CG-CG 4.43Å; R139-Y143 PolarHBondContact O-N 3.02Å; L140-Y143 HydrophobicContact CD1-CD1 4.36Å; L140-Y143 WeakPolarHBondContact O-CB 3.45Å; L140-Y143 PolarHBondContact O-N 3.43Å; Y143-K145 VanDerWaalsContact C-N 3.28Å; Y143-K145 PolarHBondContact O-N 3.28Å; Y143-R146 PolarHBondContact O-N 3.4Å; Y143-F147 HydrophobicContact CD2-CB 4.16Å; Y143-F147 AromaticContact CD2-CD2 3.66Å; Y143-F147 HydrophobicContact CD2-CD2 3.66Å; Y143-F147 HydrophobicContact CD2-CG 4.27Å; Y143-F147 HydrophobicContact CE2-CB 3.85Å; Y143-F147 HydrophobicContact CE2-CD2 4.01Å; Y143-F147 HydrophobicContact CE2-CG 4.18Å; Y143-F147 HydrophobicContact CG-CD2 4.37Å; Y143-F147 PolarHBondContact O-N 3.32Å
144	N	94.9	Very high	95.4	Very high	70 Å²	70	96.3 Å²	96.3	37%	0.374	46%	0.457	S	S	.	.	H	α-helix	trans	-59	-41.6	-176.9	-72.3	-23.3	0	0	0	112.1	L140 K141 R146 T148 H150	L140-N144 PolarHBondContact O-N 3.38Å; K141-N144 PolarHBondContact O-N 3.36Å; N144-R146 VanDerWaalsContact C-N 3.35Å; N144-R146 PolarHBondContact O-N 2.9Å; N144-T148 WeakPolarHBondContact CA-OG1 3.35Å; N144-T148 VanDerWaalsContact O-CB 3.25Å; N144-T148 WeakPolarHBondContact O-CB 3.39Å; N144-T148 PolarHBondContact O-N 2.97Å; N144-T148 PolarHBondContact OD1-OG1 3.3Å; N144-H150 PolarHBondContact O-CE1 2.99Å; N144-H150 VanDerWaalsContact O-CE1 3.26Å
145	K	94	Very high	95.5	Very high	166 Å²	166	95.2 Å²	95.2	72%	0.722	45%	0.451	S	S	*	.	H	α-helix	trans	-63.8	-37.4	177.1	-176.8	-178.9	176	-176.2	0	113.1	K141 E142 Y143 H150	K141-K145 PolarHBondContact O-N 3.47Å; K141-K145 VanDerWaalsContact O-N 3.08Å; E142-K145 PolarHBondContact O-N 3.2Å; Y143-K145 VanDerWaalsContact C-N 3.28Å; Y143-K145 PolarHBondContact O-N 3.28Å; K145-H150 PolarHBondContact O-CE1 3.5Å
146	R	91.3	Very high	95.6	Very high	135 Å²	135	93.5 Å²	93.5	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-91.6	-36.6	-171.8	-68.3	-179.8	-171.1	-173.5	6.2	113.7	E142 Y143 N144	E142-R146 WeakPolarHBondContact O-CB 3.39Å; E142-R146 WeakPolarHBondContact O-CG 3.39Å; E142-R146 PolarHBondContact O-N 3.09Å; E142-R146 VanDerWaalsContact O-N 3.13Å; Y143-R146 PolarHBondContact O-N 3.4Å; N144-R146 VanDerWaalsContact C-N 3.35Å; N144-R146 PolarHBondContact O-N 2.9Å
147	F	92.6	Very high	95.7	Very high	108 Å²	108	95.6 Å²	95.6	47%	0.474	45%	0.451	S	S	.	.	H	α-helix	trans	-122.3	-18.6	-165.7	-60.7	-72	0	0	0	114.6	F37 F39 Y143	F37-F147 HydrophobicContact CD2-CZ 4.42Å; F39-F147 HydrophobicContact CE2-CD2 4.17Å; F39-F147 AromaticContact CE2-CE2 3.65Å; F39-F147 HydrophobicContact CE2-CE2 3.65Å; F39-F147 HydrophobicContact CZ-CD2 4.19Å; F39-F147 AromaticContact CZ-CE2 3.57Å; F39-F147 HydrophobicContact CZ-CE2 3.57Å; Y143-F147 HydrophobicContact CD2-CB 4.16Å; Y143-F147 AromaticContact CD2-CD2 3.66Å; Y143-F147 HydrophobicContact CD2-CD2 3.66Å; Y143-F147 HydrophobicContact CD2-CG 4.27Å; Y143-F147 HydrophobicContact CE2-CB 3.85Å; Y143-F147 HydrophobicContact CE2-CD2 4.01Å; Y143-F147 HydrophobicContact CE2-CG 4.18Å; Y143-F147 HydrophobicContact CG-CD2 4.37Å; Y143-F147 PolarHBondContact O-N 3.32Å
148	T	92.8	Very high	95.7	Very high	62 Å²	62	97.6 Å²	97.6	38%	0.38	47%	0.468	S	S	.	.	S	Bend	trans	-74.2	147.9	177.6	-62.1	0	0	0	0	110.4	N144 H150	N144-T148 WeakPolarHBondContact CA-OG1 3.35Å; N144-T148 VanDerWaalsContact O-CB 3.25Å; N144-T148 WeakPolarHBondContact O-CB 3.39Å; N144-T148 PolarHBondContact O-N 2.97Å; N144-T148 PolarHBondContact OD1-OG1 3.3Å; T148-H150 PolarHBondContact O-CE1 2.86Å; T148-H150 PolarHBondContact O-N 2.89Å; T148-H150 PolarHBondContact O-ND1 3.39Å
149	S	95.5	Very high	95.7	Very high	85 Å²	85	101.5 Å²	101.5	59%	0.594	49%	0.49	S	S	*	.			trans	-68.9	129.6	172.3	176.4	0	0	0	0	110.9	T151	S149-T151 WeakPolarHBondContact OG-CB 3.4Å; S149-T151 PolarHBondContact OG-N 3.18Å; S149-T151 PolarHBondContact OG-OG1 2.91Å
150	H	94.5	Very high	95.7	Very high	59 Å²	59	102 Å²	102	27%	0.273	50%	0.496	S	S	.	.			trans	-103.2	20	174.7	-59.1	66.6	0	0	0	111	N144 K145 T148 I152 E153 W154	N144-H150 PolarHBondContact O-CE1 2.99Å; N144-H150 VanDerWaalsContact O-CE1 3.26Å; K145-H150 PolarHBondContact O-CE1 3.5Å; T148-H150 PolarHBondContact O-CE1 2.86Å; T148-H150 PolarHBondContact O-N 2.89Å; T148-H150 PolarHBondContact O-ND1 3.39Å; H150-I152 VanDerWaalsContact C-N 3.32Å; H150-I152 PolarHBondContact O-N 2.89Å; H150-E153 HydrophobicContact CB-CB 4.49Å; H150-E153 IonicContact CD2-OE1 2.99Å; H150-E153 IonicContact CD2-OE2 2.88Å; H150-E153 PolarHBondContact CD2-OE2 3.32Å; H150-E153 VanDerWaalsContact CD2-OE2 3.22Å; H150-E153 IonicContact CG-OE2 3.32Å; H150-E153 WeakPolarHBondContact O-CB 3.43Å; H150-E153 PolarHBondContact O-N 3.42Å; H150-E153 VanDerWaalsContact O-N 3.14Å; H150-W154 PolarHBondContact O-N 3.37Å
151	T	96.5	Very high	95.7	Very high	78 Å²	78	101.5 Å²	101.5	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-57.6	-41.9	-175	-59.7	0	0	0	0	112.6	S149 E153 W154 I155	S149-T151 WeakPolarHBondContact OG-CB 3.4Å; S149-T151 PolarHBondContact OG-N 3.18Å; S149-T151 PolarHBondContact OG-OG1 2.91Å; T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 2.67Å; T151-W154 PolarHBondContact O-N 2.85Å; T151-I155 HydrophobicContact CG2-CD1 3.91Å; T151-I155 HydrophobicContact CG2-CG1 4.44Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.47Å; T151-I155 PolarHBondContact O-N 3.47Å
152	I	96.1	Very high	95.8	Very high	137 Å²	137	96.6 Å²	96.6	70%	0.703	48%	0.48	S	S	*	.	H	α-helix	trans	-66.4	-37.8	179.5	-59	-57.3	0	0	0	111.2	H150 I155 G156	H150-I152 VanDerWaalsContact C-N 3.32Å; H150-I152 PolarHBondContact O-N 2.89Å; I152-I155 HydrophobicContact CD1-CD1 4.4Å; I152-I155 PolarHBondContact O-N 3.04Å; I152-G156 PolarHBondContact O-N 2.91Å
153	E	95.7	Very high	95.9	Very high	131 Å²	131	95.9 Å²	95.9	61%	0.612	48%	0.482	S	S	*	.	H	α-helix	trans	-64.7	-42.3	175.5	-57.7	177.6	-173.6	0	0	111	H150 T151 G156 F157	H150-E153 HydrophobicContact CB-CB 4.49Å; H150-E153 IonicContact CD2-OE1 2.99Å; H150-E153 IonicContact CD2-OE2 2.88Å; H150-E153 PolarHBondContact CD2-OE2 3.32Å; H150-E153 VanDerWaalsContact CD2-OE2 3.22Å; H150-E153 IonicContact CG-OE2 3.32Å; H150-E153 WeakPolarHBondContact O-CB 3.43Å; H150-E153 PolarHBondContact O-N 3.42Å; H150-E153 VanDerWaalsContact O-N 3.14Å; T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 2.67Å; E153-G156 PolarHBondContact O-N 3.43Å; E153-F157 WeakPolarHBondContact O-CB 3.41Å; E153-F157 PolarHBondContact O-N 2.96Å
154	W	97	Very high	95.9	Very high	169 Å²	169	97.4 Å²	97.4	64%	0.64	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-38	175.2	-76.6	117.1	0	0	0	113.3	H150 T151 F157 A158	H150-W154 PolarHBondContact O-N 3.37Å; T151-W154 PolarHBondContact O-N 2.85Å; W154-F157 HydrophobicContact CE3-CB 4.47Å; W154-F157 AromaticContact CE3-CD1 3.91Å; W154-F157 HydrophobicContact CE3-CD1 3.91Å; W154-F157 HydrophobicContact CE3-CG 4.37Å; W154-F157 AromaticContact CZ3-CD1 3.94Å; W154-F157 HydrophobicContact CZ3-CD1 3.94Å; W154-F157 HydrophobicContact CZ3-CE1 4.17Å; W154-F157 HydrophobicContact CZ3-CG 4.46Å; W154-F157 PolarHBondContact O-N 3.16Å; W154-A158 WeakPolarHBondContact O-CB 3.39Å; W154-A158 PolarHBondContact O-N 2.85Å
155	I	98.3	Very high	96	Very high	102 Å²	102	99.8 Å²	99.8	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-46.7	173.5	-70.7	166.9	0	0	0	110.1	T151 I152 F157 A158 L159	T151-I155 HydrophobicContact CG2-CD1 3.91Å; T151-I155 HydrophobicContact CG2-CG1 4.44Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.47Å; T151-I155 PolarHBondContact O-N 3.47Å; I152-I155 HydrophobicContact CD1-CD1 4.4Å; I152-I155 PolarHBondContact O-N 3.04Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.7Å; I155-A158 PolarHBondContact O-N 2.68Å; I155-L159 WeakPolarHBondContact O-CB 3.25Å; I155-L159 PolarHBondContact O-N 2.82Å
156	G	97.8	Very high	96.1	Very high	22 Å²	22	96 Å²	96	23%	0.227	50%	0.5	C	S	.	.	H	α-helix	trans	-58.3	-47.3	175.4	0	0	0	0	0	111.6	I152 E153 A158 L159 F160	I152-G156 PolarHBondContact O-N 2.91Å; E153-G156 PolarHBondContact O-N 3.43Å; G156-A158 PolarHBondContact O-N 3.38Å; G156-L159 WeakPolarHBondContact O-CB 3.27Å; G156-L159 PolarHBondContact O-N 3.33Å; G156-F160 WeakPolarHBondContact O-CD2 3.45Å; G156-F160 PolarHBondContact O-N 3.35Å
157	F	97.9	Very high	96.3	Very high	116 Å²	116	94.6 Å²	94.6	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-56.7	-48.3	175.3	174.9	-99.2	0	0	0	112.1	E153 W154 I155 L159 F160 V161	E153-F157 WeakPolarHBondContact O-CB 3.41Å; E153-F157 PolarHBondContact O-N 2.96Å; W154-F157 HydrophobicContact CE3-CB 4.47Å; W154-F157 AromaticContact CE3-CD1 3.91Å; W154-F157 HydrophobicContact CE3-CD1 3.91Å; W154-F157 HydrophobicContact CE3-CG 4.37Å; W154-F157 AromaticContact CZ3-CD1 3.94Å; W154-F157 HydrophobicContact CZ3-CD1 3.94Å; W154-F157 HydrophobicContact CZ3-CE1 4.17Å; W154-F157 HydrophobicContact CZ3-CG 4.46Å; W154-F157 PolarHBondContact O-N 3.16Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.7Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 2.95Å; F157-F160 PolarHBondContact O-N 3.21Å; F157-V161 HydrophobicContact CD1-CG2 4.41Å; F157-V161 HydrophobicContact CD2-CG2 3.95Å; F157-V161 HydrophobicContact CE1-CG2 4.05Å; F157-V161 HydrophobicContact CE2-CG2 3.56Å; F157-V161 HydrophobicContact CG-CG2 4.37Å; F157-V161 HydrophobicContact CZ-CG2 3.62Å; F157-V161 WeakPolarHBondContact O-CB 3.45Å; F157-V161 WeakPolarHBondContact O-CG2 3.43Å; F157-V161 PolarHBondContact O-N 2.76Å
158	A	97.8	Very high	96.5	Very high	47 Å²	47	93 Å²	93	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-42.8	177.5	0	0	0	0	0	111.6	W154 I155 G156 F160 V161 T162	W154-A158 WeakPolarHBondContact O-CB 3.39Å; W154-A158 PolarHBondContact O-N 2.85Å; I155-A158 PolarHBondContact O-N 2.68Å; G156-A158 PolarHBondContact O-N 3.38Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.04Å; A158-V161 PolarHBondContact O-N 3.22Å; A158-T162 VanDerWaalsContact O-CB 3.23Å; A158-T162 WeakPolarHBondContact O-CB 3.48Å; A158-T162 PolarHBondContact O-N 3.23Å; A158-T162 PolarHBondContact O-OG1 2.8Å
159	L	97.4	Very high	96.7	Very high	125 Å²	125	95.8 Å²	95.8	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-40.8	177.8	-173.4	73.9	0	0	0	112.1	I155 G156 F157 P163	I155-L159 WeakPolarHBondContact O-CB 3.25Å; I155-L159 PolarHBondContact O-N 2.82Å; G156-L159 WeakPolarHBondContact O-CB 3.27Å; G156-L159 PolarHBondContact O-N 3.33Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 2.95Å; L159-P163 WeakPolarHBondContact O-CD 3.27Å
160	F	96.6	Very high	96.7	Very high	161 Å²	161	97.1 Å²	97.1	71%	0.706	51%	0.505	S	S	*	.	H	α-helix	trans	-76.7	-36.5	179.7	-72.7	-62.1	0	0	0	113.3	G156 F157 A158	G156-F160 WeakPolarHBondContact O-CD2 3.45Å; G156-F160 PolarHBondContact O-N 3.35Å; F157-F160 PolarHBondContact O-N 3.21Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.04Å
161	V	97.7	Very high	96.7	Very high	48 Å²	48	99.8 Å²	99.8	29%	0.291	52%	0.52	S	S	.	.	H	α-helix	trans	-77.1	-30.3	-179.9	171.2	0	0	0	0	111.9	F157 A158 C164 L165	F157-V161 HydrophobicContact CD1-CG2 4.41Å; F157-V161 HydrophobicContact CD2-CG2 3.95Å; F157-V161 HydrophobicContact CE1-CG2 4.05Å; F157-V161 HydrophobicContact CE2-CG2 3.56Å; F157-V161 HydrophobicContact CG-CG2 4.37Å; F157-V161 HydrophobicContact CZ-CG2 3.62Å; F157-V161 WeakPolarHBondContact O-CB 3.45Å; F157-V161 WeakPolarHBondContact O-CG2 3.43Å; F157-V161 PolarHBondContact O-N 2.76Å; A158-V161 PolarHBondContact O-N 3.22Å; V161-C164 WeakPolarHBondContact O-CB 3.46Å; V161-C164 PolarHBondContact O-N 3.31Å; V161-L165 HydrophobicContact CG1-CD1 3.58Å; V161-L165 HydrophobicContact CG1-CG 3.94Å; V161-L165 PolarHBondContact O-N 2.69Å; V161-L165 VanDerWaalsContact O-N 3.13Å
162	T	97.5	Very high	96.7	Very high	71 Å²	71	103.8 Å²	103.8	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-58	-50.7	-175.5	-64.5	0	0	0	0	113	A158 C164 L165 L166	A158-T162 VanDerWaalsContact O-CB 3.23Å; A158-T162 WeakPolarHBondContact O-CB 3.48Å; A158-T162 PolarHBondContact O-N 3.23Å; A158-T162 PolarHBondContact O-OG1 2.8Å; T162-C164 VanDerWaalsContact C-N 3.31Å; T162-C164 PolarHBondContact O-N 2.89Å; T162-L165 PolarHBondContact O-N 3.38Å; T162-L166 HydrophobicContact CG2-CB 4.35Å; T162-L166 HydrophobicContact CG2-CD2 4.3Å; T162-L166 WeakPolarHBondContact O-CA 3.35Å; T162-L166 WeakPolarHBondContact O-CB 3.4Å; T162-L166 PolarHBondContact O-N 3.01Å
163	P	96.4	Very high	96.5	Very high	60 Å²	60	101.8 Å²	101.8	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-37.8	177.5	-23.8	33.5	0	0	0	113.3	L159 L165 L166 I167	L159-P163 WeakPolarHBondContact O-CD 3.27Å; P163-L165 PolarHBondContact O-N 2.83Å; P163-L166 PolarHBondContact O-N 2.84Å; P163-I167 HydrophobicContact CB-CD1 4.28Å; P163-I167 WeakPolarHBondContact O-CB 3.29Å; P163-I167 WeakPolarHBondContact O-CG1 3.29Å; P163-I167 PolarHBondContact O-N 3.46Å
164	C	96.1	Very high	96.4	Very high	93 Å²	93	98.9 Å²	98.9	63%	0.628	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-29.2	179.2	-64	0	0	0	0	112.7	V161 T162 P168	V161-C164 WeakPolarHBondContact O-CB 3.46Å; V161-C164 PolarHBondContact O-N 3.31Å; T162-C164 VanDerWaalsContact C-N 3.31Å; T162-C164 PolarHBondContact O-N 2.89Å; C164-P168 WeakPolarHBondContact O-CD 3.31Å; C164-P168 WeakPolarHBondContact O-CG 3.25Å
165	L	96.3	Very high	96.3	Very high	120 Å²	120	94 Å²	94	63%	0.628	50%	0.5	S	S	*	.	H	α-helix	trans	-93.4	-40.6	175.3	-63.5	179.5	0	0	0	112.4	V161 T162 P163 Y169	V161-L165 HydrophobicContact CG1-CD1 3.58Å; V161-L165 HydrophobicContact CG1-CG 3.94Å; V161-L165 PolarHBondContact O-N 2.69Å; V161-L165 VanDerWaalsContact O-N 3.13Å; T162-L165 PolarHBondContact O-N 3.38Å; P163-L165 PolarHBondContact O-N 2.83Å; L165-Y169 VanDerWaalsContact O-CB 3.25Å; L165-Y169 WeakPolarHBondContact O-CB 3.38Å; L165-Y169 PolarHBondContact O-N 2.8Å
166	L	96	Very high	95.9	Very high	87 Å²	87	91 Å²	91	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-70.3	-41.9	-173	-174.1	62.8	0	0	0	111.7	T162 P163 Y169 M170	T162-L166 HydrophobicContact CG2-CB 4.35Å; T162-L166 HydrophobicContact CG2-CD2 4.3Å; T162-L166 WeakPolarHBondContact O-CA 3.35Å; T162-L166 WeakPolarHBondContact O-CB 3.4Å; T162-L166 PolarHBondContact O-N 3.01Å; P163-L166 PolarHBondContact O-N 2.84Å; L166-Y169 HydrophobicContact CD1-CD1 4.42Å; L166-Y169 PolarHBondContact O-N 3.26Å; L166-M170 HydrophobicContact CD1-CG 3.99Å; L166-M170 HydrophobicContact CD1-SD 4.41Å; L166-M170 HydrophobicContact CG-CG 4.16Å; L166-M170 WeakPolarHBondContact O-CB 3.36Å; L166-M170 WeakPolarHBondContact O-CG 3.34Å; L166-M170 PolarHBondContact O-N 3.32Å
167	I	96.7	Very high	95.4	Very high	105 Å²	105	94 Å²	94	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-53.1	-178.4	-64.8	167.5	0	0	0	111.2	P163 Y169 M170 L171	P163-I167 HydrophobicContact CB-CD1 4.28Å; P163-I167 WeakPolarHBondContact O-CB 3.29Å; P163-I167 WeakPolarHBondContact O-CG1 3.29Å; P163-I167 PolarHBondContact O-N 3.46Å; I167-Y169 VanDerWaalsContact C-N 3.31Å; I167-Y169 PolarHBondContact O-N 3.13Å; I167-M170 PolarHBondContact O-N 2.6Å; I167-L171 HydrophobicContact CG2-CD1 4.07Å; I167-L171 WeakPolarHBondContact O-CG 3.34Å; I167-L171 PolarHBondContact O-N 3.35Å
168	P	96.6	Very high	94.7	Very high	74 Å²	74	96.6 Å²	96.6	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-38	176.5	-24.6	35.8	0	0	0	113.3	C164 L171 W172	C164-P168 WeakPolarHBondContact O-CD 3.31Å; C164-P168 WeakPolarHBondContact O-CG 3.25Å; P168-L171 PolarHBondContact O-N 2.9Å; P168-W172 WeakPolarHBondContact O-CB 3.49Å; P168-W172 PolarHBondContact O-N 3.18Å
169	Y	96.4	Very high	93.8	Very high	121 Å²	121	105.9 Å²	105.9	48%	0.475	55%	0.546	S	S	.	.	H	α-helix	trans	-60.9	-47.9	175.7	170.1	-99.6	0	0	0	112.1	L165 L166 I167 L171 W172 H173	L165-Y169 VanDerWaalsContact O-CB 3.25Å; L165-Y169 WeakPolarHBondContact O-CB 3.38Å; L165-Y169 PolarHBondContact O-N 2.8Å; L166-Y169 HydrophobicContact CD1-CD1 4.42Å; L166-Y169 PolarHBondContact O-N 3.26Å; I167-Y169 VanDerWaalsContact C-N 3.31Å; I167-Y169 PolarHBondContact O-N 3.13Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.26Å; Y169-W172 HydrophobicContact CD2-CE3 4.19Å; Y169-W172 HydrophobicContact CD2-CZ3 4.39Å; Y169-W172 HydrophobicContact CE2-CE3 4.3Å; Y169-W172 HydrophobicContact CE2-CZ3 4.1Å; Y169-W172 PolarHBondContact O-N 2.88Å; Y169-H173 VanDerWaalsContact O-CB 3.31Å; Y169-H173 WeakPolarHBondContact O-CB 3.34Å; Y169-H173 PolarHBondContact O-N 2.85Å
170	M	95.5	Very high	93.6	Very high	114 Å²	114	105 Å²	105	56%	0.562	54%	0.54	S	S	*	.	H	α-helix	trans	-63.3	-41.1	179.6	-69.4	-69.9	-84.6	0	0	111.4	L166 I167 S174	L166-M170 HydrophobicContact CD1-CG 3.99Å; L166-M170 HydrophobicContact CD1-SD 4.41Å; L166-M170 HydrophobicContact CG-CG 4.16Å; L166-M170 WeakPolarHBondContact O-CB 3.36Å; L166-M170 WeakPolarHBondContact O-CG 3.34Å; L166-M170 PolarHBondContact O-N 3.32Å; I167-M170 PolarHBondContact O-N 2.6Å; M170-S174 WeakPolarHBondContact O-CB 3.3Å; M170-S174 PolarHBondContact O-N 2.79Å; M170-S174 PolarHBondContact O-OG 3.06Å
171	L	95	Very high	93.4	Very high	114 Å²	114	102 Å²	102	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-47.9	175.3	-69.8	173.8	0	0	0	111.4	I167 P168 Y169 S174 S175	I167-L171 HydrophobicContact CG2-CD1 4.07Å; I167-L171 WeakPolarHBondContact O-CG 3.34Å; I167-L171 PolarHBondContact O-N 3.35Å; P168-L171 PolarHBondContact O-N 2.9Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.26Å; L171-S174 PolarHBondContact O-N 2.62Å; L171-S174 PolarHBondContact O-OG 3.42Å; L171-S175 PolarHBondContact O-N 3.25Å
172	W	95	Very high	93.2	Very high	162 Å²	162	105 Å²	105	61%	0.614	55%	0.545	S	S	*	.	H	α-helix	trans	-62.2	-46.9	176.7	170	77	0	0	0	112.4	P168 Y169 S174 S175 A176	P168-W172 WeakPolarHBondContact O-CB 3.49Å; P168-W172 PolarHBondContact O-N 3.18Å; Y169-W172 HydrophobicContact CD2-CE3 4.19Å; Y169-W172 HydrophobicContact CD2-CZ3 4.39Å; Y169-W172 HydrophobicContact CE2-CE3 4.3Å; Y169-W172 HydrophobicContact CE2-CZ3 4.1Å; Y169-W172 PolarHBondContact O-N 2.88Å; W172-S174 VanDerWaalsContact C-N 3.28Å; W172-S174 PolarHBondContact O-N 2.87Å; W172-S175 WeakPolarHBondContact O-CA 3.5Å; W172-S175 WeakPolarHBondContact O-CB 3.38Å; W172-S175 PolarHBondContact O-N 2.75Å; W172-A176 HydrophobicContact CZ2-CB 4.32Å; W172-A176 WeakPolarHBondContact O-CB 3.19Å; W172-A176 PolarHBondContact O-N 2.93Å
173	H	93.8	Very high	93	Very high	95 Å²	95	107 Å²	107	44%	0.44	55%	0.551	S	S	.	*	H	α-helix	trans	-59	-41.2	179.8	-177.4	-81.9	0	0	0	111.4	Y169 S175 A176 S177	Y169-H173 VanDerWaalsContact O-CB 3.31Å; Y169-H173 WeakPolarHBondContact O-CB 3.34Å; Y169-H173 PolarHBondContact O-N 2.85Å; H173-S175 VanDerWaalsContact C-N 3.28Å; H173-S175 PolarHBondContact O-N 2.87Å; H173-A176 PolarHBondContact O-N 2.76Å; H173-S177 WeakPolarHBondContact O-CB 3.44Å; H173-S177 PolarHBondContact O-N 3.34Å; H173-S177 PolarHBondContact O-OG 3.02Å; H173-S177 VanDerWaalsContact O-OG 3.14Å
174	S	92.7	Very high	92.7	Very high	70 Å²	70	109.9 Å²	109.9	49%	0.49	56%	0.562	S	S	.	*	H	α-helix	trans	-65.2	-29.3	175.8	77	0	0	0	0	113.9	M170 L171 W172 S177	M170-S174 WeakPolarHBondContact O-CB 3.3Å; M170-S174 PolarHBondContact O-N 2.79Å; M170-S174 PolarHBondContact O-OG 3.06Å; L171-S174 PolarHBondContact O-N 2.62Å; L171-S174 PolarHBondContact O-OG 3.42Å; W172-S174 VanDerWaalsContact C-N 3.28Å; W172-S174 PolarHBondContact O-N 2.87Å; S174-S177 PolarHBondContact O-OG 3.03Å
175	S	93.8	Very high	92.5	Very high	66 Å²	66	111.1 Å²	111.1	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-78.6	-46.4	176.6	-174	0	0	0	0	110.8	L171 W172 H173 K178 Y179	L171-S175 PolarHBondContact O-N 3.25Å; W172-S175 WeakPolarHBondContact O-CA 3.5Å; W172-S175 WeakPolarHBondContact O-CB 3.38Å; W172-S175 PolarHBondContact O-N 2.75Å; H173-S175 VanDerWaalsContact C-N 3.28Å; H173-S175 PolarHBondContact O-N 2.87Å; S175-K178 WeakPolarHBondContact O-CB 3.23Å; S175-K178 PolarHBondContact O-N 3.43Å; S175-Y179 WeakPolarHBondContact O-CD2 3.48Å
176	A	90.8	Very high	92.2	Very high	39 Å²	39	110.4 Å²	110.4	32%	0.322	55%	0.552	S	S	.	*	H	α-helix	trans	-67.7	-38.1	-178.4	0	0	0	0	0	112.5	W172 H173 K178 Y179	W172-A176 HydrophobicContact CZ2-CB 4.32Å; W172-A176 WeakPolarHBondContact O-CB 3.19Å; W172-A176 PolarHBondContact O-N 2.93Å; H173-A176 PolarHBondContact O-N 2.76Å; A176-K178 PolarHBondContact O-N 2.95Å; A176-K178 VanDerWaalsContact O-N 3.1Å; A176-Y179 PolarHBondContact O-N 2.75Å
177	S	87.2	Confident	92	Very high	86 Å²	86	112.2 Å²	112.2	60%	0.601	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-9	179.1	66.3	0	0	0	0	114.4	H173 S174	H173-S177 WeakPolarHBondContact O-CB 3.44Å; H173-S177 PolarHBondContact O-N 3.34Å; H173-S177 PolarHBondContact O-OG 3.02Å; H173-S177 VanDerWaalsContact O-OG 3.14Å; S174-S177 PolarHBondContact O-OG 3.03Å
178	K	84.2	Confident	91.6	Very high	170 Å²	170	112.8 Å²	112.8	74%	0.739	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-15.9	177.4	-166.7	175.3	177.9	-177.2	0	113	S175 A176	S175-K178 WeakPolarHBondContact O-CB 3.23Å; S175-K178 PolarHBondContact O-N 3.43Å; A176-K178 PolarHBondContact O-N 2.95Å; A176-K178 VanDerWaalsContact O-N 3.1Å
179	Y	77.8	Confident	91.1	Very high	243 Å²	243	116.4 Å²	116.4	95%	0.953	57%	0.568	S	S	*	*			trans	-120.3	0	-178	-62.6	-73.8	0	0	0	111.1	S175 A176	S175-Y179 WeakPolarHBondContact O-CD2 3.48Å; A176-Y179 PolarHBondContact O-N 2.75Å

Retrieved 179 of 179 residues in 109.5 ms (Link to these results)

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