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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A3Q0KRW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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	76.4	Confident	84.4	Confident	105 Å²	105	101.5 Å²	101.5	52%	0.517	57%	0.571	S	S	.	*				0	-33.5	0	-77.3	-158.4	175.1	0	0	112.1	S3 V4 R5 F18 V19 F20	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.81Å; M1-V4 WeakPolarHBondContact O-CB 3.08Å; M1-V4 PolarHBondContact O-N 2.93Å; M1-R5 PolarHBondContact O-N 2.7Å; M1-F18 HydrophobicContact CE-CD1 4.48Å; M1-F18 HydrophobicContact SD-CB 4.01Å; M1-F18 HydrophobicContact SD-CD1 3.75Å; M1-F18 HydrophobicContact SD-CG 4.36Å; M1-V19 WeakPolarHBondContact CE-O 3.41Å; M1-F20 HydrophobicContact CE-CB 4.25Å; M1-F20 HydrophobicContact SD-CB 3.82Å; M1-F20 HydrophobicContact SD-CD1 4.08Å; M1-F20 HydrophobicContact SD-CG 4.36Å
2	D	82.9	Confident	84.9	Confident	122 Å²	122	104.7 Å²	104.7	65%	0.652	58%	0.584	S	S	*	*	H	α-helix	trans	-59.2	-37.3	-177.1	-51.4	-49.3	0	0	0	113.5	V4 R5 A6	D2-V4 PolarHBondContact O-N 2.79Å; D2-R5 PolarHBondContact O-N 3.11Å; D2-A6 WeakPolarHBondContact O-CB 2.95Å; D2-A6 PolarHBondContact O-N 3.1Å
3	S	84.7	Confident	85.2	Confident	107 Å²	107	104.9 Å²	104.9	75%	0.748	58%	0.576	S	S	*	*	H	α-helix	trans	-62.5	-28.8	174	-46.8	0	0	0	0	113.7	M1 G7	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.81Å; S3-G7 PolarHBondContact O-N 3.09Å; S3-G7 VanDerWaalsContact O-N 3.13Å
4	V	84.7	Confident	85.4	Confident	77 Å²	77	101.4 Å²	101.4	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-75.2	-43.5	176.2	-179.8	0	0	0	0	109.7	M1 D2 A6 G7 G10 F13 F18	M1-V4 WeakPolarHBondContact O-CB 3.08Å; M1-V4 PolarHBondContact O-N 2.93Å; D2-V4 PolarHBondContact O-N 2.79Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 2.99Å; V4-G7 PolarHBondContact O-N 3.42Å; V4-G7 VanDerWaalsContact O-N 3.11Å; V4-G10 VanDerWaalsContact O-CA 3.25Å; V4-G10 WeakPolarHBondContact O-CA 3.47Å; V4-F13 HydrophobicContact CG1-CE2 4.42Å; V4-F18 HydrophobicContact CG1-CE1 4.29Å
5	R	83.5	Confident	85.5	Confident	107 Å²	107	100.7 Å²	100.7	40%	0.404	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-36.8	177	-71.5	-178.7	169.6	-173.8	-5.4	112.6	M1 D2 G7 F18	M1-R5 PolarHBondContact O-N 2.7Å; D2-R5 PolarHBondContact O-N 3.11Å; R5-G7 VanDerWaalsContact C-N 3.29Å; R5-F18 HydrophobicContact CG-CE1 4.41Å; R5-F18 HydrophobicContact CG-CE2 4.5Å; R5-F18 HydrophobicContact CG-CZ 4.22Å
6	A	87.2	Confident	85.8	Confident	89 Å²	89	100.8 Å²	100.8	74%	0.736	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-6.9	175.3	0	0	0	0	0	113.6	D2 V4	D2-A6 WeakPolarHBondContact O-CB 2.95Å; D2-A6 PolarHBondContact O-N 3.1Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 2.99Å
7	G	85.8	Confident	86	Confident	25 Å²	25	98.5 Å²	98.5	26%	0.258	55%	0.548	S	S	.	.	S	Bend	trans	-70.7	168.6	-178.9	0	0	0	0	0	113.1	S3 V4 R5 F9 G10	S3-G7 PolarHBondContact O-N 3.09Å; S3-G7 VanDerWaalsContact O-N 3.13Å; V4-G7 PolarHBondContact O-N 3.42Å; V4-G7 VanDerWaalsContact O-N 3.11Å; R5-G7 VanDerWaalsContact C-N 3.29Å; G7-F9 PolarHBondContact O-N 3.07Å; G7-G10 PolarHBondContact O-N 2.93Å
8	P	88.4	Confident	86.2	Confident	127 Å²	127	94.9 Å²	94.9	83%	0.825	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.3	-175.9	23.9	-34.3	0	0	0	113.8
9	F	87.1	Confident	86.4	Confident	149 Å²	149	92.3 Å²	92.3	65%	0.654	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	17.3	178.7	-55.7	-65.8	0	0	0	112.9	G7 Q11 L12	G7-F9 PolarHBondContact O-N 3.07Å; F9-Q11 PolarHBondContact O-N 2.81Å; F9-L12 VanDerWaalsContact O-CB 3.27Å; F9-L12 WeakPolarHBondContact O-CB 3.34Å; F9-L12 PolarHBondContact O-N 2.96Å
10	G	80.5	Confident	86.6	Confident	8 Å²	8	94.6 Å²	94.6	8%	0.082	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-60.6	-30.9	-175.5	0	0	0	0	0	113.9	V4 G7 L12	V4-G10 VanDerWaalsContact O-CA 3.25Å; V4-G10 WeakPolarHBondContact O-CA 3.47Å; G7-G10 PolarHBondContact O-N 2.93Å; G10-L12 VanDerWaalsContact C-N 3.27Å; G10-L12 PolarHBondContact O-N 3.19Å
11	Q	87	Confident	86.5	Confident	200 Å²	200	91.7 Å²	91.7	94%	0.935	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-76.5	-9.7	178.5	-63.4	-178.1	-3.3	0	0	114.1	F9 F13	F9-Q11 PolarHBondContact O-N 2.81Å; Q11-F13 VanDerWaalsContact C-N 3.33Å
12	L	91	Very high	86.7	Confident	140 Å²	140	96.4 Å²	96.4	73%	0.733	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-74.3	-27.5	178.9	-171.3	67.9	0	0	0	112	F9 G10	F9-L12 VanDerWaalsContact O-CB 3.27Å; F9-L12 WeakPolarHBondContact O-CB 3.34Å; F9-L12 PolarHBondContact O-N 2.96Å; G10-L12 VanDerWaalsContact C-N 3.27Å; G10-L12 PolarHBondContact O-N 3.19Å
13	F	88.6	Confident	86.7	Confident	108 Å²	108	92.7 Å²	92.7	47%	0.474	51%	0.514	S	S	.	.	S	Bend	trans	-88.1	136.4	-174.2	-61.7	-76.7	0	0	0	111.4	V4 Q11 P15 F18	V4-F13 HydrophobicContact CG1-CE2 4.42Å; Q11-F13 VanDerWaalsContact C-N 3.33Å; F13-P15 WeakPolarHBondContact O-CD 3.26Å; F13-F18 HydrophobicContact CB-CE2 3.58Å; F13-F18 HydrophobicContact CB-CZ 3.54Å; F13-F18 HydrophobicContact CD2-CZ 4.3Å; F13-F18 HydrophobicContact CG-CZ 4.08Å
14	C	87.6	Confident	86.6	Confident	55 Å²	55	89.9 Å²	89.9	37%	0.372	50%	0.502	S	S	.	.			trans	-60.3	124.9	173	-170.4	0	0	0	0	109.9	D16 N17 F18	C14-D16 PolarHBondContact O-N 3.12Å; C14-N17 HydrophobicContact CB-CB 4.47Å; C14-N17 PolarHBondContact O-N 3.28Å; C14-N17 VanDerWaalsContact O-N 3.07Å; C14-F18 WeakPolarHBondContact O-CD2 2.86Å
15	P	87.5	Confident	86.7	Confident	92 Å²	92	86.3 Å²	86.3	60%	0.597	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-55.8	-33.2	179.9	-27.8	36	0	0	0	113.9	F13 N17 F18	F13-P15 WeakPolarHBondContact O-CD 3.26Å; P15-N17 PolarHBondContact O-N 3.45Å; P15-F18 PolarHBondContact O-N 3.12Å
16	D	89.4	Confident	86.9	Confident	101 Å²	101	84.5 Å²	84.5	54%	0.54	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.8	-179.7	-64.6	-5	0	0	0	112.7	C14 F18 K50	C14-D16 PolarHBondContact O-N 3.12Å; D16-F18 PolarHBondContact O-N 2.92Å; D16-K50 IonicContact OD2-NZ 3.74Å; D16-K50 PolarHBondContact OD2-NZ 3.45Å
17	N	90.6	Very high	86.9	Confident	62 Å²	62	83.9 Å²	83.9	33%	0.332	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-83.2	-5.5	-175.5	-63.3	3.1	0	0	0	112	C14 P15 V19 V47 E51	C14-N17 HydrophobicContact CB-CB 4.47Å; C14-N17 PolarHBondContact O-N 3.28Å; C14-N17 VanDerWaalsContact O-N 3.07Å; P15-N17 PolarHBondContact O-N 3.45Å; N17-V19 PolarHBondContact O-N 3.41Å; N17-V47 HydrophobicContact CB-CG1 4.33Å; N17-E51 PolarHBondContact ND2-OE1 3.2Å; N17-E51 PolarHBondContact OD1-OE1 3.31Å
18	F	89.8	Confident	87.2	Confident	34 Å²	34	86.7 Å²	86.7	15%	0.149	49%	0.488	C	S	.	.			trans	-86.1	95.2	175.6	-69	-81.8	0	0	0	111	M1 V4 R5 F13 C14 P15 D16	M1-F18 HydrophobicContact CE-CD1 4.48Å; M1-F18 HydrophobicContact SD-CB 4.01Å; M1-F18 HydrophobicContact SD-CD1 3.75Å; M1-F18 HydrophobicContact SD-CG 4.36Å; V4-F18 HydrophobicContact CG1-CE1 4.29Å; R5-F18 HydrophobicContact CG-CE1 4.41Å; R5-F18 HydrophobicContact CG-CE2 4.5Å; R5-F18 HydrophobicContact CG-CZ 4.22Å; F13-F18 HydrophobicContact CB-CE2 3.58Å; F13-F18 HydrophobicContact CB-CZ 3.54Å; F13-F18 HydrophobicContact CD2-CZ 4.3Å; F13-F18 HydrophobicContact CG-CZ 4.08Å; C14-F18 WeakPolarHBondContact O-CD2 2.86Å; P15-F18 PolarHBondContact O-N 3.12Å; D16-F18 PolarHBondContact O-N 2.92Å
19	V	90	Very high	87.4	Confident	45 Å²	45	81.2 Å²	81.2	27%	0.273	45%	0.452	S	S	.	.			trans	-95.9	121.1	171.4	-173.2	0	0	0	0	110.1	M1 N17 V44 V47	M1-V19 WeakPolarHBondContact CE-O 3.41Å; N17-V19 PolarHBondContact O-N 3.41Å; V19-V44 HydrophobicContact CB-CG2 3.96Å; V19-V44 HydrophobicContact CG1-CG2 3.73Å; V19-V44 HydrophobicContact CG2-CG2 4.27Å; V19-V47 HydrophobicContact CG2-CG2 3.98Å
20	F	89.1	Confident	87.7	Confident	138 Å²	138	76.1 Å²	76.1	61%	0.605	44%	0.438	S	S	*	.			trans	-137.3	157.6	179	59.3	-86.1	0	0	0	111.4	M1	M1-F20 HydrophobicContact CE-CB 4.25Å; M1-F20 HydrophobicContact SD-CB 3.82Å; M1-F20 HydrophobicContact SD-CD1 4.08Å; M1-F20 HydrophobicContact SD-CG 4.36Å
21	G	84.3	Confident	88.2	Confident	34 Å²	34	79.2 Å²	79.2	35%	0.351	45%	0.449	S	S	.	.			trans	-122.6	165	174.7	0	0	0	0	0	112.7	R40	G21-R40 VanDerWaalsContact CA-CZ 3.43Å
22	Q	81.7	Confident	88.4	Confident	204 Å²	204	69.8 Å²	69.8	95%	0.953	41%	0.405	S	S	*	.	S	Bend	trans	-80.5	-25.1	179.6	-64.1	-172.1	-2.8	0	0	113.1
23	S	81.4	Confident	88.6	Confident	44 Å²	44	64 Å²	64	31%	0.308	38%	0.375	S	S	.	.	S	Bend	trans	-114.2	134.7	-175	171.4	0	0	0	0	111.3	K31 E36 R40	S23-K31 PolarHBondContact OG-NZ 2.83Å; S23-E36 WeakPolarHBondContact CB-OE1 3.45Å; S23-E36 VanDerWaalsContact CB-OE2 3.23Å; S23-E36 WeakPolarHBondContact CB-OE2 3.48Å; S23-E36 PolarHBondContact OG-OE1 3.42Å; S23-E36 PolarHBondContact OG-OE2 3.18Å; S23-R40 PolarHBondContact O-NH1 3.2Å; S23-R40 PolarHBondContact O-NH2 3.5Å
24	G	83	Confident	88.8	Confident	48 Å²	48	66.8 Å²	66.8	50%	0.495	38%	0.383	S	S	.	.			trans	-87.3	158.4	173.9	0	0	0	0	0	112.3	G26 K31	G24-G26 PolarHBondContact O-N 2.83Å; G24-K31 PolarHBondContact O-NZ 3.43Å
25	A	86.8	Confident	88.9	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	39%	0.385	C	S	.	.			trans	-69.8	-11.1	175.9	0	0	0	0	0	113.5	N27 N28 T71	A25-N27 PolarHBondContact O-N 3.35Å; A25-N28 PolarHBondContact O-N 2.91Å; A25-N28 VanDerWaalsContact O-N 3.16Å; A25-T71 WeakPolarHBondContact CB-OG1 3.2Å; A25-T71 PolarHBondContact N-OG1 3.37Å
26	G	87.6	Confident	89	Confident	68 Å²	68	64.4 Å²	64.4	70%	0.701	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	41	177.4	0	0	0	0	0	113.4	G24 N28	G24-G26 PolarHBondContact O-N 2.83Å; G26-N28 PolarHBondContact O-N 2.95Å; G26-N28 VanDerWaalsContact O-N 3.1Å
27	N	88.7	Confident	88.9	Confident	76 Å²	76	59.7 Å²	59.7	41%	0.406	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.2	-175.6	-60.2	-36.4	0	0	0	115.3	A25 T106 V108 N112	A25-N27 PolarHBondContact O-N 3.35Å; N27-T106 HydrophobicContact CB-CG2 4.16Å; N27-T106 WeakPolarHBondContact ND2-CG2 3.42Å; N27-V108 HydrophobicContact CB-CG2 4.11Å; N27-V108 WeakPolarHBondContact O-CG2 3.47Å; N27-N112 PolarHBondContact O-ND2 3.16Å
28	N	91.3	Very high	88.9	Confident	84 Å²	84	58.6 Å²	58.6	45%	0.449	34%	0.338	S	S	.	.			trans	-109.9	114.6	176.3	-173.3	-19.1	0	0	0	110.7	A25 G26 A30 K31 G32	A25-N28 PolarHBondContact O-N 2.91Å; A25-N28 VanDerWaalsContact O-N 3.16Å; G26-N28 PolarHBondContact O-N 2.95Å; G26-N28 VanDerWaalsContact O-N 3.1Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.2Å; N28-A30 WeakPolarHBondContact OD1-CB 3.18Å; N28-A30 PolarHBondContact OD1-N 2.97Å; N28-K31 HydrophobicContact CB-CB 4.12Å; N28-K31 PolarHBondContact O-N 2.91Å; N28-G32 PolarHBondContact O-N 2.96Å; N28-G32 VanDerWaalsContact O-N 3.07Å
29	L	92.3	Very high	88.8	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-41.1	176.5	175.8	146	0	0	0	112.4	K31 G32 H33 N112 L115	L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.39Å; L29-G32 CarbonylContact O-C 3.5Å; L29-G32 WeakPolarHBondContact O-CA 3.13Å; L29-G32 PolarHBondContact O-N 3.42Å; L29-H33 HydrophobicContact CD2-CB 4.43Å; L29-H33 WeakPolarHBondContact O-CB 3.29Å; L29-H33 PolarHBondContact O-N 2.99Å; L29-N112 HydrophobicContact CB-CB 4.31Å; L29-N112 VanDerWaalsContact CB-OD1 3.27Å; L29-N112 WeakPolarHBondContact CB-OD1 3.48Å; L29-N112 WeakPolarHBondContact CD1-O 3.44Å; L29-N112 PolarHBondContact N-OD1 3.42Å; L29-N112 VanDerWaalsContact N-OD1 3.1Å; L29-L115 HydrophobicContact CD1-CB 3.82Å; L29-L115 HydrophobicContact CD2-CB 3.87Å; L29-L115 HydrophobicContact CD2-CD1 4.02Å; L29-L115 HydrophobicContact CG-CB 4.45Å
30	A	92.5	Very high	88.7	Confident	42 Å²	42	64.4 Å²	64.4	35%	0.347	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-40.1	-177.5	0	0	0	0	0	111.3	N28 G32 H33 Y34	N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.2Å; N28-A30 WeakPolarHBondContact OD1-CB 3.18Å; N28-A30 PolarHBondContact OD1-N 2.97Å; A30-G32 VanDerWaalsContact C-N 3.34Å; A30-H33 PolarHBondContact O-N 3Å; A30-Y34 HydrophobicContact CB-CD2 4.32Å; A30-Y34 WeakPolarHBondContact O-CB 3.26Å; A30-Y34 PolarHBondContact O-N 2.91Å
31	K	92.7	Very high	88.8	Confident	73 Å²	73	58.2 Å²	58.2	32%	0.317	33%	0.334	S	S	.	.	I	π-helix	trans	-65.3	-41.3	173.9	-159.3	-173	-177.9	-150.6	0	111	S23 G24 N28 L29 H33 T35 E36	S23-K31 PolarHBondContact OG-NZ 2.83Å; G24-K31 PolarHBondContact O-NZ 3.43Å; N28-K31 HydrophobicContact CB-CB 4.12Å; N28-K31 PolarHBondContact O-N 2.91Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.39Å; K31-H33 VanDerWaalsContact C-N 3.34Å; K31-H33 PolarHBondContact O-N 3.28Å; K31-T35 WeakPolarHBondContact CA-OG1 3.02Å; K31-T35 WeakPolarHBondContact CG-OG1 3.42Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.24Å; K31-E36 HydrophobicContact CD-CG 4.07Å; K31-E36 WeakPolarHBondContact CE-OE1 3.39Å; K31-E36 HydrophobicContact CG-CG 3.82Å; K31-E36 IonicContact NZ-OE1 3.2Å; K31-E36 PolarHBondContact NZ-OE1 3.28Å; K31-E36 PolarHBondContact O-N 3.09Å
32	G	91.5	Very high	89.2	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.021	34%	0.344	C	S	.	.	I	π-helix	trans	-66.4	-31	176.6	0	0	0	0	0	114.1	N28 L29 A30 G37 G74 M75	N28-G32 PolarHBondContact O-N 2.96Å; N28-G32 VanDerWaalsContact O-N 3.07Å; L29-G32 CarbonylContact O-C 3.5Å; L29-G32 WeakPolarHBondContact O-CA 3.13Å; L29-G32 PolarHBondContact O-N 3.42Å; A30-G32 VanDerWaalsContact C-N 3.34Å; G32-G37 WeakPolarHBondContact O-CA 3.44Å; G32-G37 PolarHBondContact O-N 3.32Å; G32-G74 CarbonylContact O-C 3.5Å; G32-M75 PolarHBondContact O-N 3.16Å
33	H	93.4	Very high	89.7	Confident	20 Å²	20	54.9 Å²	54.9	9%	0.093	32%	0.32	C	S	.	.	I	π-helix	trans	-96	-45	-174.6	-168.1	93.6	0	0	0	112.7	L29 A30 K31 G74 T77 L78	L29-H33 HydrophobicContact CD2-CB 4.43Å; L29-H33 WeakPolarHBondContact O-CB 3.29Å; L29-H33 PolarHBondContact O-N 2.99Å; A30-H33 PolarHBondContact O-N 3Å; K31-H33 VanDerWaalsContact C-N 3.34Å; K31-H33 PolarHBondContact O-N 3.28Å; H33-G74 PolarHBondContact ND1-O 2.73Å; H33-T77 PolarHBondContact ND1-OG1 2.76Å; H33-L78 WeakPolarHBondContact O-CD2 3.38Å
34	Y	92.8	Very high	90.4	Very high	165 Å²	165	53.9 Å²	53.9	65%	0.647	31%	0.312	S	S	*	.	I	π-helix	trans	-99.2	-23.9	-170.9	-64.6	-69.6	0	0	0	114.7	A30	A30-Y34 HydrophobicContact CB-CD2 4.32Å; A30-Y34 WeakPolarHBondContact O-CB 3.26Å; A30-Y34 PolarHBondContact O-N 2.91Å
35	T	91.4	Very high	90.9	Very high	69 Å²	69	52.1 Å²	52.1	42%	0.423	29%	0.291	S	S	.	.	I	π-helix	trans	-115.4	-73.7	-175	65.9	0	0	0	0	111.9	K31 A38 E39	K31-T35 WeakPolarHBondContact CA-OG1 3.02Å; K31-T35 WeakPolarHBondContact CG-OG1 3.42Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.24Å; T35-A38 PolarHBondContact O-N 3.4Å; T35-E39 WeakPolarHBondContact O-CG 3.2Å; T35-E39 PolarHBondContact O-N 2.95Å
36	E	89	Confident	91.3	Very high	29 Å²	29	56.4 Å²	56.4	14%	0.136	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.4	-170.5	-65.8	-86.3	-177.7	0	0	112.3	S23 K31 R40	S23-E36 WeakPolarHBondContact CB-OE1 3.45Å; S23-E36 VanDerWaalsContact CB-OE2 3.23Å; S23-E36 WeakPolarHBondContact CB-OE2 3.48Å; S23-E36 PolarHBondContact OG-OE1 3.42Å; S23-E36 PolarHBondContact OG-OE2 3.18Å; K31-E36 HydrophobicContact CD-CG 4.07Å; K31-E36 WeakPolarHBondContact CE-OE1 3.39Å; K31-E36 HydrophobicContact CG-CG 3.82Å; K31-E36 IonicContact NZ-OE1 3.2Å; K31-E36 PolarHBondContact NZ-OE1 3.28Å; K31-E36 PolarHBondContact O-N 3.09Å; E36-R40 IonicContact OE2-CZ 2.93Å; E36-R40 IonicContact OE2-NH1 3.78Å; E36-R40 IonicContact OE2-NH2 3.55Å; E36-R40 PolarHBondContact OE2-NH2 3.2Å
37	G	87	Confident	91.7	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.021	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-37.7	174.6	0	0	0	0	0	112	G32 E39 R40 V41	G32-G37 WeakPolarHBondContact O-CA 3.44Å; G32-G37 PolarHBondContact O-N 3.32Å; G37-E39 VanDerWaalsContact C-N 3.33Å; G37-E39 PolarHBondContact O-N 3.37Å; G37-R40 PolarHBondContact O-N 2.99Å; G37-V41 WeakPolarHBondContact O-CB 3.35Å; G37-V41 PolarHBondContact O-N 3.39Å
38	A	89.4	Confident	92	Very high	39 Å²	39	52.6 Å²	52.6	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-38.4	178.9	0	0	0	0	0	112.1	T35 R40 L78	T35-A38 PolarHBondContact O-N 3.4Å; A38-R40 PolarHBondContact O-N 3.39Å; A38-L78 HydrophobicContact CB-CD2 4.43Å
39	E	89.6	Confident	92.1	Very high	150 Å²	150	52.7 Å²	52.7	70%	0.701	27%	0.273	S	S	*	.	H	α-helix	trans	-65.1	-20.4	174.9	-72.7	177.5	-178.3	0	0	113.9	T35 G37	T35-E39 WeakPolarHBondContact O-CG 3.2Å; T35-E39 PolarHBondContact O-N 2.95Å; G37-E39 VanDerWaalsContact C-N 3.33Å; G37-E39 PolarHBondContact O-N 3.37Å
40	R	86.7	Confident	92.2	Very high	50 Å²	50	57.6 Å²	57.6	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-113.1	-17.8	-172.7	-65.9	179.2	-168.1	137.7	14.8	114	G21 S23 E36 G37 A38 D42 S43 V44 M75	G21-R40 VanDerWaalsContact CA-CZ 3.43Å; S23-R40 PolarHBondContact O-NH1 3.2Å; S23-R40 PolarHBondContact O-NH2 3.5Å; E36-R40 IonicContact OE2-CZ 2.93Å; E36-R40 IonicContact OE2-NH1 3.78Å; E36-R40 IonicContact OE2-NH2 3.55Å; E36-R40 PolarHBondContact OE2-NH2 3.2Å; G37-R40 PolarHBondContact O-N 2.99Å; A38-R40 PolarHBondContact O-N 3.39Å; R40-D42 PolarHBondContact O-N 3.48Å; R40-S43 PolarHBondContact O-N 3.42Å; R40-V44 PolarHBondContact O-N 3.23Å; R40-M75 HydrophobicContact CB-CE 4.2Å
41	V	92.2	Very high	92.3	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-37.2	-173.2	73.2	0	0	0	0	111.2	G37 S43 V44 L45 L78 L79 K82	G37-V41 WeakPolarHBondContact O-CB 3.35Å; G37-V41 PolarHBondContact O-N 3.39Å; V41-S43 PolarHBondContact O-N 2.93Å; V41-V44 PolarHBondContact O-N 2.96Å; V41-V44 VanDerWaalsContact O-N 3.13Å; V41-L45 HydrophobicContact CG2-CD1 4.09Å; V41-L45 HydrophobicContact CG2-CG 4.32Å; V41-L45 WeakPolarHBondContact O-CB 3.46Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.12Å; V41-L78 HydrophobicContact CB-CD2 3.87Å; V41-L78 HydrophobicContact CB-CG 4.49Å; V41-L78 HydrophobicContact CG1-CD2 4.04Å; V41-L78 HydrophobicContact CG2-CD2 4.09Å; V41-L78 HydrophobicContact CG2-CG 4.19Å; V41-L79 HydrophobicContact CG2-CD1 4.09Å; V41-K82 HydrophobicContact CG2-CG 4.25Å
42	D	92.1	Very high	92.4	Very high	103 Å²	103	56.7 Å²	56.7	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-61.7	-44.9	179.3	-64.4	-21.5	0	0	0	111.5	R40 V44 L45 D46	R40-D42 PolarHBondContact O-N 3.48Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 PolarHBondContact O-N 3.44Å; D42-L45 PolarHBondContact O-N 3.06Å; D42-D46 PolarHBondContact O-N 2.71Å
43	S	93.1	Very high	92.5	Very high	65 Å²	65	63.7 Å²	63.7	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-35.2	175.9	-54.2	0	0	0	0	112.7	R40 V41 V47	R40-S43 PolarHBondContact O-N 3.42Å; V41-S43 PolarHBondContact O-N 2.93Å; S43-V47 WeakPolarHBondContact O-CG2 3.39Å; S43-V47 PolarHBondContact O-N 2.94Å
44	V	94.4	Very high	92.5	Very high	24 Å²	24	67.2 Å²	67.2	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-70.5	-41.6	175.1	179.7	0	0	0	0	110.7	V19 R40 V41 D42 D46 V47 V48 M75 L79	V19-V44 HydrophobicContact CB-CG2 3.96Å; V19-V44 HydrophobicContact CG1-CG2 3.73Å; V19-V44 HydrophobicContact CG2-CG2 4.27Å; R40-V44 PolarHBondContact O-N 3.23Å; V41-V44 PolarHBondContact O-N 2.96Å; V41-V44 VanDerWaalsContact O-N 3.13Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 PolarHBondContact O-N 3.44Å; V44-D46 VanDerWaalsContact C-N 3.35Å; V44-D46 PolarHBondContact O-N 2.86Å; V44-V47 PolarHBondContact O-N 2.96Å; V44-V48 HydrophobicContact CG1-CG2 4.32Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.48Å; V44-V48 PolarHBondContact O-N 3.38Å; V44-M75 HydrophobicContact CG2-CE 3.63Å; V44-L79 HydrophobicContact CB-CD1 4.3Å; V44-L79 HydrophobicContact CG1-CD1 3.73Å; V44-L79 HydrophobicContact CG1-CD2 4.02Å
45	L	94.8	Very high	92.5	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-39.4	178.1	-76.6	167.3	0	0	0	112	V41 D42 V47 V48 R49 L79 K82 V83	V41-L45 HydrophobicContact CG2-CD1 4.09Å; V41-L45 HydrophobicContact CG2-CG 4.32Å; V41-L45 WeakPolarHBondContact O-CB 3.46Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.12Å; D42-L45 PolarHBondContact O-N 3.06Å; L45-V47 VanDerWaalsContact C-N 3.33Å; L45-V47 PolarHBondContact O-N 3.25Å; L45-V48 PolarHBondContact O-N 2.8Å; L45-R49 WeakPolarHBondContact O-CB 3.07Å; L45-R49 PolarHBondContact O-N 2.93Å; L45-L79 HydrophobicContact CD2-CD1 4.24Å; L45-L79 HydrophobicContact CG-CD1 4.38Å; L45-K82 HydrophobicContact CD1-CB 3.77Å; L45-K82 HydrophobicContact CD1-CD 4.34Å; L45-K82 HydrophobicContact CD1-CG 4.18Å; L45-K82 HydrophobicContact CD2-CB 4.05Å; L45-K82 HydrophobicContact CG-CB 4.42Å; L45-V83 HydrophobicContact CD2-CG2 3.95Å
46	D	94.8	Very high	92.5	Very high	94 Å²	94	67.7 Å²	67.7	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.8	-74.4	-25.1	0	0	0	111.8	D42 V44 R49 K50	D42-D46 PolarHBondContact O-N 2.71Å; V44-D46 VanDerWaalsContact C-N 3.35Å; V44-D46 PolarHBondContact O-N 2.86Å; D46-R49 PolarHBondContact O-N 3.49Å; D46-R49 IonicContact OD1-NH1 2.86Å; D46-K50 PolarHBondContact O-N 3.39Å
47	V	95.3	Very high	92.5	Very high	32 Å²	32	71.2 Å²	71.2	19%	0.194	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-45.4	174.2	173.9	0	0	0	0	110.7	N17 V19 S43 V44 L45 R49 K50 E51	N17-V47 HydrophobicContact CB-CG1 4.33Å; V19-V47 HydrophobicContact CG2-CG2 3.98Å; S43-V47 WeakPolarHBondContact O-CG2 3.39Å; S43-V47 PolarHBondContact O-N 2.94Å; V44-V47 PolarHBondContact O-N 2.96Å; L45-V47 VanDerWaalsContact C-N 3.33Å; L45-V47 PolarHBondContact O-N 3.25Å; V47-R49 VanDerWaalsContact C-N 3.28Å; V47-R49 PolarHBondContact O-N 3.01Å; V47-K50 PolarHBondContact O-N 3Å; V47-E51 WeakPolarHBondContact O-CG 3.41Å; V47-E51 PolarHBondContact O-N 3.49Å
48	V	94.8	Very high	92.7	Very high	31 Å²	31	72.8 Å²	72.8	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-60.1	-40.6	177.2	171	0	0	0	0	111	V44 L45 E51 A52 F61	V44-V48 HydrophobicContact CG1-CG2 4.32Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.48Å; V44-V48 PolarHBondContact O-N 3.38Å; L45-V48 PolarHBondContact O-N 2.8Å; V48-E51 PolarHBondContact O-N 2.82Å; V48-A52 VanDerWaalsContact O-CB 3.31Å; V48-A52 WeakPolarHBondContact O-CB 3.4Å; V48-A52 PolarHBondContact O-N 2.88Å; V48-F61 HydrophobicContact CG1-CD1 4.41Å; V48-F61 HydrophobicContact CG1-CE1 3.59Å; V48-F61 HydrophobicContact CG1-CZ 4.14Å
49	R	94.7	Very high	92.6	Very high	87 Å²	87	74.4 Å²	74.4	33%	0.328	40%	0.396	S	S	.	.	H	α-helix	trans	-64.3	-45.9	177.2	-170.1	-179.8	-63.8	142.1	-1	111.4	L45 D46 V47 E51 A52 E53 E86	L45-R49 WeakPolarHBondContact O-CB 3.07Å; L45-R49 PolarHBondContact O-N 2.93Å; D46-R49 PolarHBondContact O-N 3.49Å; D46-R49 IonicContact OD1-NH1 2.86Å; V47-R49 VanDerWaalsContact C-N 3.28Å; V47-R49 PolarHBondContact O-N 3.01Å; R49-E51 VanDerWaalsContact C-N 3.3Å; R49-E51 PolarHBondContact O-N 3.16Å; R49-A52 PolarHBondContact O-N 3.16Å; R49-A52 VanDerWaalsContact O-N 3.16Å; R49-E53 HydrophobicContact CG-CG 4.5Å; R49-E53 WeakPolarHBondContact O-CB 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.22Å; R49-E86 IonicContact CZ-OE1 2.96Å; R49-E86 IonicContact CZ-OE2 3.27Å; R49-E86 IonicContact NE-OE2 3.93Å; R49-E86 PolarHBondContact NE-OE2 3.04Å; R49-E86 VanDerWaalsContact NH2-CD 3.3Å; R49-E86 IonicContact NH2-OE1 3.72Å; R49-E86 PolarHBondContact NH2-OE1 3.28Å; R49-E86 IonicContact NH2-OE2 3.13Å; R49-E86 PolarHBondContact NH2-OE2 2.75Å
50	K	95	Very high	92.7	Very high	115 Å²	115	68.1 Å²	68.1	50%	0.5	37%	0.372	S	S	.	.	H	α-helix	trans	-57.2	-43.2	176	-175.5	-176.2	175.6	-171.5	0	112	D16 D46 V47 S54	D16-K50 IonicContact OD2-NZ 3.74Å; D16-K50 PolarHBondContact OD2-NZ 3.45Å; D46-K50 PolarHBondContact O-N 3.39Å; V47-K50 PolarHBondContact O-N 3Å; K50-S54 PolarHBondContact O-N 2.87Å
51	E	94.2	Very high	93.1	Very high	81 Å²	81	67.4 Å²	67.4	38%	0.379	37%	0.37	S	S	.	.	H	α-helix	trans	-70.5	-37	177.3	-67	-65.2	154.1	0	0	112.3	N17 V47 V48 R49 S54 C55	N17-E51 PolarHBondContact ND2-OE1 3.2Å; N17-E51 PolarHBondContact OD1-OE1 3.31Å; V47-E51 WeakPolarHBondContact O-CG 3.41Å; V47-E51 PolarHBondContact O-N 3.49Å; V48-E51 PolarHBondContact O-N 2.82Å; R49-E51 VanDerWaalsContact C-N 3.3Å; R49-E51 PolarHBondContact O-N 3.16Å; E51-S54 PolarHBondContact O-N 3.28Å; E51-C55 PolarHBondContact O-SG 2.69Å
52	A	93.2	Very high	93.2	Very high	15 Å²	15	71.1 Å²	71.1	12%	0.124	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-40.6	175.9	0	0	0	0	0	112.1	V48 R49 S54 C55 L58 Y87	V48-A52 VanDerWaalsContact O-CB 3.31Å; V48-A52 WeakPolarHBondContact O-CB 3.4Å; V48-A52 PolarHBondContact O-N 2.88Å; R49-A52 PolarHBondContact O-N 3.16Å; R49-A52 VanDerWaalsContact O-N 3.16Å; A52-S54 VanDerWaalsContact C-N 3.28Å; A52-S54 PolarHBondContact O-N 2.84Å; A52-C55 WeakPolarHBondContact O-CB 3.06Å; A52-C55 PolarHBondContact O-N 3.14Å; A52-L58 HydrophobicContact CB-CD2 4.1Å; A52-Y87 HydrophobicContact CB-CE1 4.3Å
53	E	93.8	Very high	93.3	Very high	149 Å²	149	67.9 Å²	67.9	70%	0.696	37%	0.369	S	S	*	.	H	α-helix	trans	-68	-27	175.5	-73.4	177.6	-177.2	0	0	112.8	R49 C55	R49-E53 HydrophobicContact CG-CG 4.5Å; R49-E53 WeakPolarHBondContact O-CB 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.22Å; E53-C55 PolarHBondContact O-N 3.5Å
54	S	93.6	Very high	93.4	Very high	93 Å²	93	68.7 Å²	68.7	65%	0.65	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.4	174.4	-171.5	0	0	0	0	113.4	K50 E51 A52	K50-S54 PolarHBondContact O-N 2.87Å; E51-S54 PolarHBondContact O-N 3.28Å; A52-S54 VanDerWaalsContact C-N 3.28Å; A52-S54 PolarHBondContact O-N 2.84Å
55	C	92.7	Very high	93.4	Very high	63 Å²	63	68.2 Å²	68.2	43%	0.426	37%	0.368	S	S	.	.	S	Bend	trans	-97.7	134.2	-179.5	-65	0	0	0	0	111.2	E51 A52 E53 C57	E51-C55 PolarHBondContact O-SG 2.69Å; A52-C55 WeakPolarHBondContact O-CB 3.06Å; A52-C55 PolarHBondContact O-N 3.14Å; E53-C55 PolarHBondContact O-N 3.5Å; C55-C57 VanDerWaalsContact C-N 3.35Å; C55-C57 PolarHBondContact O-N 2.96Å
56	D	92.2	Very high	93.3	Very high	182 Å²	182	70 Å²	70	97%	0.973	38%	0.382	S	S	*	.	S	Bend	trans	-62	-41.3	175.9	-67.1	-36.1	0	0	0	112.5
57	C	89.3	Confident	93.1	Very high	103 Å²	103	65.7 Å²	65.7	70%	0.696	36%	0.359	S	S	*	.	S	Bend	trans	-151.5	100.9	175.7	-172.4	0	0	0	0	110.7	C55 Q59	C55-C57 VanDerWaalsContact C-N 3.35Å; C55-C57 PolarHBondContact O-N 2.96Å; C57-Q59 PolarHBondContact O-N 2.77Å
58	L	91.2	Very high	92.8	Very high	34 Å²	34	64.3 Å²	64.3	18%	0.178	35%	0.351	C	S	.	.			trans	-68.1	124.7	177.3	-178.2	66.7	0	0	0	111.2	A52 F61 R90	A52-L58 HydrophobicContact CB-CD2 4.1Å; L58-F61 HydrophobicContact CD2-CE1 3.73Å; L58-F61 HydrophobicContact CD2-CE2 3.76Å; L58-F61 HydrophobicContact CD2-CZ 3.31Å; L58-R90 WeakPolarHBondContact O-CD 3.4Å; L58-R90 PolarHBondContact O-NH1 3.14Å
59	Q	87.9	Confident	92.5	Very high	73 Å²	73	63.6 Å²	63.6	34%	0.341	35%	0.349	S	S	.	.			trans	-81.1	-42.2	177.8	-172.5	174.5	5.7	0	0	112.5	C57 I91	C57-Q59 PolarHBondContact O-N 2.77Å; Q59-I91 PolarHBondContact O-N 3.12Å
60	G	91.6	Very high	92.3	Very high	19 Å²	19	59.5 Å²	59.5	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-178.2	-172.1	0	0	0	0	0	112.9	I91	G60-I91 CarbonylContact C-O 3.46Å; G60-I91 WeakPolarHBondContact CA-O 3.5Å
61	F	94.5	Very high	92.2	Very high	35 Å²	35	57.2 Å²	57.2	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146	179.4	-60.7	-82.2	0	0	0	110.6	V48 L58 V83 Y87 R90 I91 M92 N93	V48-F61 HydrophobicContact CG1-CD1 4.41Å; V48-F61 HydrophobicContact CG1-CE1 3.59Å; V48-F61 HydrophobicContact CG1-CZ 4.14Å; L58-F61 HydrophobicContact CD2-CE1 3.73Å; L58-F61 HydrophobicContact CD2-CE2 3.76Å; L58-F61 HydrophobicContact CD2-CZ 3.31Å; F61-V83 HydrophobicContact CD1-CG1 4.3Å; F61-V83 HydrophobicContact CD2-CG1 3.39Å; F61-V83 HydrophobicContact CE1-CG1 4.24Å; F61-V83 HydrophobicContact CE2-CG1 3.31Å; F61-V83 HydrophobicContact CG-CG1 3.88Å; F61-V83 HydrophobicContact CZ-CG1 3.74Å; F61-Y87 AromaticContact CE2-CD2 3.82Å; F61-Y87 HydrophobicContact CE2-CD2 3.82Å; F61-Y87 AromaticContact CE2-CG 3.79Å; F61-Y87 HydrophobicContact CE2-CG 3.79Å; F61-Y87 HydrophobicContact CZ-CD1 4.45Å; F61-Y87 AromaticContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CE2 4.01Å; F61-Y87 AromaticContact CZ-CG 3.95Å; F61-Y87 HydrophobicContact CZ-CG 3.95Å; F61-R90 HydrophobicContact CD2-CB 4.46Å; F61-R90 HydrophobicContact CE2-CB 4.3Å; F61-I91 PolarHBondContact N-O 3.48Å; F61-M92 HydrophobicContact CB-CE 3.84Å; F61-M92 HydrophobicContact CB-SD 3.88Å; F61-M92 HydrophobicContact CD2-CE 3.91Å; F61-M92 HydrophobicContact CG-CE 4.18Å; F61-N93 PolarHBondContact O-N 3.2Å
62	Q	93.6	Very high	92	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.6	172.7	-64.1	-168.3	-33.7	0	0	109.1	N93 F95	Q62-N93 CarbonylContact C-O 3.59Å; Q62-N93 WeakPolarHBondContact CA-O 3.28Å; Q62-N93 HydrophobicContact CG-CB 4.23Å; Q62-F95 HydrophobicContact CB-CE2 4.47Å
63	L	95	Very high	92	Very high	34 Å²	34	53.6 Å²	53.6	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.2	174.2	-171.5	74.3	0	0	0	110.4	H65 L79 I80 N93 T94 F95	L63-H65 HydrophobicContact CD2-CB 4.27Å; L63-H65 HydrophobicContact CG-CB 4.43Å; L63-L79 HydrophobicContact CD1-CD2 4.16Å; L63-I80 HydrophobicContact CD2-CD1 3.58Å; L63-I80 HydrophobicContact CD2-CG1 3.61Å; L63-N93 PolarHBondContact N-O 3.49Å; L63-T94 HydrophobicContact CB-CG2 4.21Å; L63-T94 CarbonylContact O-C 3.17Å; L63-T94 VanDerWaalsContact O-CA 3.28Å; L63-T94 WeakPolarHBondContact O-CA 3.3Å; L63-F95 PolarHBondContact O-N 3.49Å
64	T	94.7	Very high	92	Very high	82 Å²	82	46.5 Å²	46.5	50%	0.503	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	168.8	-54	0	0	0	0	109.1	F95 M161	T64-F95 WeakPolarHBondContact CA-O 3.38Å; T64-F95 HydrophobicContact CG2-CB 4.26Å; T64-M161 WeakPolarHBondContact OG1-CE 3Å
65	H	94.7	Very high	92	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.3	-177	73.4	151.7	0	0	0	112.6	L63 G72 F95 S96 V97	L63-H65 HydrophobicContact CD2-CB 4.27Å; L63-H65 HydrophobicContact CG-CB 4.43Å; H65-G72 PolarHBondContact ND1-O 2.88Å; H65-F95 PolarHBondContact N-O 3.33Å; H65-S96 PolarHBondContact CD2-OG 3.31Å; H65-S96 PolarHBondContact NE2-OG 3.24Å; H65-S96 WeakPolarHBondContact O-CA 3.43Å; H65-V97 PolarHBondContact O-N 3.48Å
66	S	92.1	Very high	92	Very high	49 Å²	49	41.2 Å²	41.2	34%	0.343	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.1	172.9	61.3	0	0	0	0	111.1	G72 S73	S66-G72 CarbonylContact O-C 3.55Å; S66-S73 PolarHBondContact O-N 3.24Å
67	L	92	Very high	92.1	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-83.1	-25.8	177.7	-65.4	165.2	0	0	0	112.3	S73 V97 V98 N112 A113 S116 V117 L120	L67-S73 WeakPolarHBondContact O-CB 3.5Å; L67-V97 PolarHBondContact N-O 2.87Å; L67-V98 HydrophobicContact CD1-CB 4.44Å; L67-V98 HydrophobicContact CD1-CG1 3.58Å; L67-N112 CarbonylContact O-C 3.48Å; L67-N112 WeakPolarHBondContact O-CB 3.2Å; L67-A113 HydrophobicContact CB-CB 4.29Å; L67-A113 PolarHBondContact O-N 2.87Å; L67-S116 WeakPolarHBondContact CD2-OG 3.31Å; L67-V117 HydrophobicContact CD1-CG2 4.46Å; L67-L120 HydrophobicContact CD2-CD1 3.43Å; L67-L120 VanDerWaalsContact CD2-CD1 3.43Å
68	G	88.2	Confident	92.4	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	-74.5	-32.6	179.2	0	0	0	0	0	114.1	N112	G68-N112 PolarHBondContact O-ND2 2.98Å
69	G	88.5	Confident	92.6	Very high	15 Å²	15	28.2 Å²	28.2	16%	0.155	17%	0.168	C	C	.	.	S	Bend	trans	-85.7	146.2	-175.8	0	0	0	0	0	113.2	T71 S73	G69-T71 PolarHBondContact O-N 3.18Å; G69-S73 WeakPolarHBondContact O-CB 3.39Å; G69-S73 PolarHBondContact O-N 3.32Å; G69-S73 PolarHBondContact O-OG 3.18Å
70	G	90	Very high	92.9	Very high	1 Å²	1	25 Å²	25	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-38	-177.7	0	0	0	0	0	114.3	G74	G70-G74 WeakPolarHBondContact O-CA 3.37Å; G70-G74 PolarHBondContact O-N 2.87Å
71	T	92.5	Very high	93	Very high	68 Å²	68	25.3 Å²	25.3	42%	0.417	15%	0.152	S	C	.	.	H	α-helix	trans	-75.5	-49.1	178.3	-50.8	0	0	0	0	111.1	A25 G69 S73 M75 G76	A25-T71 WeakPolarHBondContact CB-OG1 3.2Å; A25-T71 PolarHBondContact N-OG1 3.37Å; G69-T71 PolarHBondContact O-N 3.18Å; T71-S73 VanDerWaalsContact C-N 3.33Å; T71-S73 PolarHBondContact O-N 3.46Å; T71-M75 HydrophobicContact CG2-CB 4.24Å; T71-M75 HydrophobicContact CG2-SD 4.29Å; T71-M75 WeakPolarHBondContact O-CA 3.18Å; T71-M75 WeakPolarHBondContact O-CB 3.43Å; T71-M75 PolarHBondContact O-N 3.37Å; T71-G76 PolarHBondContact O-N 3.32Å
72	G	91.4	Very high	93	Very high	20 Å²	20	26.8 Å²	26.8	21%	0.206	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-42	-178.6	0	0	0	0	0	112.5	H65 S66 G76	H65-G72 PolarHBondContact ND1-O 2.88Å; S66-G72 CarbonylContact O-C 3.55Å; G72-G76 WeakPolarHBondContact O-CA 3.31Å; G72-G76 PolarHBondContact O-N 3.32Å
73	S	92.9	Very high	93.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-76.4	-52.7	178.6	67.1	0	0	0	0	111.3	S66 L67 G69 T71 T77	S66-S73 PolarHBondContact O-N 3.24Å; L67-S73 WeakPolarHBondContact O-CB 3.5Å; G69-S73 WeakPolarHBondContact O-CB 3.39Å; G69-S73 PolarHBondContact O-N 3.32Å; G69-S73 PolarHBondContact O-OG 3.18Å; T71-S73 VanDerWaalsContact C-N 3.33Å; T71-S73 PolarHBondContact O-N 3.46Å; S73-T77 VanDerWaalsContact O-CB 3.29Å; S73-T77 WeakPolarHBondContact O-CB 3.46Å; S73-T77 WeakPolarHBondContact O-CG2 3.26Å; S73-T77 PolarHBondContact O-N 2.93Å; S73-T77 PolarHBondContact O-OG1 2.85Å
74	G	93.4	Very high	93	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.8	-57.2	-175.3	0	0	0	0	0	114.1	G32 H33 G70 T77 L78	G32-G74 CarbonylContact O-C 3.5Å; H33-G74 PolarHBondContact ND1-O 2.73Å; G70-G74 WeakPolarHBondContact O-CA 3.37Å; G70-G74 PolarHBondContact O-N 2.87Å; G74-T77 PolarHBondContact O-OG1 2.85Å; G74-L78 WeakPolarHBondContact O-CB 3.29Å; G74-L78 PolarHBondContact O-N 3.48Å; G74-L78 VanDerWaalsContact O-N 3.11Å
75	M	93.4	Very high	92.9	Very high	38 Å²	38	26.5 Å²	26.5	19%	0.187	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-37.3	179.9	-173.6	-177.2	178.1	0	0	111	G32 R40 V44 T71 L78 L79	G32-M75 PolarHBondContact O-N 3.16Å; R40-M75 HydrophobicContact CB-CE 4.2Å; V44-M75 HydrophobicContact CG2-CE 3.63Å; T71-M75 HydrophobicContact CG2-CB 4.24Å; T71-M75 HydrophobicContact CG2-SD 4.29Å; T71-M75 WeakPolarHBondContact O-CA 3.18Å; T71-M75 WeakPolarHBondContact O-CB 3.43Å; T71-M75 PolarHBondContact O-N 3.37Å; M75-L78 PolarHBondContact O-N 2.92Å; M75-L79 WeakPolarHBondContact O-CB 3.39Å; M75-L79 PolarHBondContact O-N 3.35Å
76	G	93.7	Very high	92.9	Very high	7 Å²	7	29.4 Å²	29.4	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-46	177.6	0	0	0	0	0	112.4	T71 G72 L79 I80	T71-G76 PolarHBondContact O-N 3.32Å; G72-G76 WeakPolarHBondContact O-CA 3.31Å; G72-G76 PolarHBondContact O-N 3.32Å; G76-L79 PolarHBondContact O-N 3.31Å; G76-I80 VanDerWaalsContact O-CG1 3.27Å; G76-I80 WeakPolarHBondContact O-CG1 3.46Å; G76-I80 PolarHBondContact O-N 3.22Å
77	T	94.2	Very high	93	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-67.4	-38.5	177.4	51.4	0	0	0	0	113	H33 S73 G74 L79 I80 S81 Q119 L120	H33-T77 PolarHBondContact ND1-OG1 2.76Å; S73-T77 VanDerWaalsContact O-CB 3.29Å; S73-T77 WeakPolarHBondContact O-CB 3.46Å; S73-T77 WeakPolarHBondContact O-CG2 3.26Å; S73-T77 PolarHBondContact O-N 2.93Å; S73-T77 PolarHBondContact O-OG1 2.85Å; G74-T77 PolarHBondContact O-OG1 2.85Å; T77-L79 VanDerWaalsContact C-N 3.34Å; T77-L79 PolarHBondContact O-N 3.12Å; T77-I80 PolarHBondContact O-N 2.8Å; T77-S81 PolarHBondContact O-N 2.85Å; T77-S81 VanDerWaalsContact O-N 3.1Å; T77-Q119 HydrophobicContact CG2-CB 3.81Å; T77-L120 HydrophobicContact CG2-CG 4.45Å
78	L	94.6	Very high	93	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-46.9	173.7	-178.6	68.3	0	0	0	111.1	H33 A38 V41 G74 M75 I80 S81 K82	H33-L78 WeakPolarHBondContact O-CD2 3.38Å; A38-L78 HydrophobicContact CB-CD2 4.43Å; V41-L78 HydrophobicContact CB-CD2 3.87Å; V41-L78 HydrophobicContact CB-CG 4.49Å; V41-L78 HydrophobicContact CG1-CD2 4.04Å; V41-L78 HydrophobicContact CG2-CD2 4.09Å; V41-L78 HydrophobicContact CG2-CG 4.19Å; G74-L78 WeakPolarHBondContact O-CB 3.29Å; G74-L78 PolarHBondContact O-N 3.48Å; G74-L78 VanDerWaalsContact O-N 3.11Å; M75-L78 PolarHBondContact O-N 2.92Å; L78-I80 PolarHBondContact O-N 3.07Å; L78-S81 PolarHBondContact O-N 2.77Å; L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.19Å
79	L	95	Very high	93.1	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-43.8	179.8	-175	66.8	0	0	0	111.3	V41 V44 L45 L63 M75 G76 T77 S81 K82 V83	V41-L79 HydrophobicContact CG2-CD1 4.09Å; V44-L79 HydrophobicContact CB-CD1 4.3Å; V44-L79 HydrophobicContact CG1-CD1 3.73Å; V44-L79 HydrophobicContact CG1-CD2 4.02Å; L45-L79 HydrophobicContact CD2-CD1 4.24Å; L45-L79 HydrophobicContact CG-CD1 4.38Å; L63-L79 HydrophobicContact CD1-CD2 4.16Å; M75-L79 WeakPolarHBondContact O-CB 3.39Å; M75-L79 PolarHBondContact O-N 3.35Å; G76-L79 PolarHBondContact O-N 3.31Å; T77-L79 VanDerWaalsContact C-N 3.34Å; T77-L79 PolarHBondContact O-N 3.12Å; L79-S81 VanDerWaalsContact C-N 3.35Å; L79-S81 PolarHBondContact O-N 2.87Å; L79-K82 PolarHBondContact O-N 2.85Å; L79-V83 HydrophobicContact CD1-CG2 4.14Å; L79-V83 HydrophobicContact CG-CG2 4.19Å; L79-V83 WeakPolarHBondContact O-CB 3.49Å; L79-V83 WeakPolarHBondContact O-CG2 3.31Å; L79-V83 PolarHBondContact O-N 2.89Å
80	I	95.3	Very high	93.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-48.9	176.7	-67.2	165.8	0	0	0	110.7	L63 G76 T77 L78 K82 V83 R84 M92 T94 L120 N123 T124	L63-I80 HydrophobicContact CD2-CD1 3.58Å; L63-I80 HydrophobicContact CD2-CG1 3.61Å; G76-I80 VanDerWaalsContact O-CG1 3.27Å; G76-I80 WeakPolarHBondContact O-CG1 3.46Å; G76-I80 PolarHBondContact O-N 3.22Å; T77-I80 PolarHBondContact O-N 2.8Å; L78-I80 PolarHBondContact O-N 3.07Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 3.35Å; I80-V83 PolarHBondContact O-N 2.9Å; I80-R84 WeakPolarHBondContact O-CB 3.42Å; I80-R84 PolarHBondContact O-N 3.25Å; I80-M92 HydrophobicContact CG1-SD 4.47Å; I80-M92 HydrophobicContact CG2-CG 3.93Å; I80-M92 HydrophobicContact CG2-SD 4.37Å; I80-T94 HydrophobicContact CD1-CG2 3.64Å; I80-T94 HydrophobicContact CG1-CG2 4.44Å; I80-L120 HydrophobicContact CD1-CD2 3.57Å; I80-N123 HydrophobicContact CG2-CB 3.57Å; I80-T124 HydrophobicContact CD1-CG2 4.08Å; I80-T124 HydrophobicContact CG2-CG2 3.97Å
81	S	94	Very high	93.4	Very high	26 Å²	26	42.5 Å²	42.5	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-45	179.9	-175.9	0	0	0	0	111.2	T77 L78 L79 R84 E85	T77-S81 PolarHBondContact O-N 2.85Å; T77-S81 VanDerWaalsContact O-N 3.1Å; L78-S81 PolarHBondContact O-N 2.77Å; L79-S81 VanDerWaalsContact C-N 3.35Å; L79-S81 PolarHBondContact O-N 2.87Å; S81-R84 PolarHBondContact O-N 3.35Å; S81-E85 WeakPolarHBondContact O-CG 3.36Å; S81-E85 PolarHBondContact O-N 3.26Å
82	K	94.5	Very high	93.5	Very high	67 Å²	67	39.6 Å²	39.6	29%	0.291	20%	0.199	S	C	.	.	H	α-helix	trans	-68.1	-41.6	179.7	-71.3	-74.9	155	-152.7	0	113.1	V41 L45 L78 L79 I80 R84 E85 E86	V41-K82 HydrophobicContact CG2-CG 4.25Å; L45-K82 HydrophobicContact CD1-CB 3.77Å; L45-K82 HydrophobicContact CD1-CD 4.34Å; L45-K82 HydrophobicContact CD1-CG 4.18Å; L45-K82 HydrophobicContact CD2-CB 4.05Å; L45-K82 HydrophobicContact CG-CB 4.42Å; L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 2.85Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 3.35Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.4Å; K82-E85 IonicContact NZ-OE1 3.81Å; K82-E85 IonicContact NZ-OE2 3.45Å; K82-E85 PolarHBondContact NZ-OE2 3.44Å; K82-E85 WeakPolarHBondContact O-CB 3.28Å; K82-E85 PolarHBondContact O-N 3.05Å; K82-E86 PolarHBondContact O-N 3.37Å; K82-E86 VanDerWaalsContact O-N 3.16Å
83	V	94.8	Very high	93.6	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-36.2	176.4	176.2	0	0	0	0	110.5	L45 F61 L79 I80 E85 E86 Y87 M92	L45-V83 HydrophobicContact CD2-CG2 3.95Å; F61-V83 HydrophobicContact CD1-CG1 4.3Å; F61-V83 HydrophobicContact CD2-CG1 3.39Å; F61-V83 HydrophobicContact CE1-CG1 4.24Å; F61-V83 HydrophobicContact CE2-CG1 3.31Å; F61-V83 HydrophobicContact CG-CG1 3.88Å; F61-V83 HydrophobicContact CZ-CG1 3.74Å; L79-V83 HydrophobicContact CD1-CG2 4.14Å; L79-V83 HydrophobicContact CG-CG2 4.19Å; L79-V83 WeakPolarHBondContact O-CB 3.49Å; L79-V83 WeakPolarHBondContact O-CG2 3.31Å; L79-V83 PolarHBondContact O-N 2.89Å; I80-V83 PolarHBondContact O-N 2.9Å; V83-E85 VanDerWaalsContact C-N 3.35Å; V83-E86 PolarHBondContact O-N 2.87Å; V83-Y87 HydrophobicContact CG1-CD2 4.11Å; V83-Y87 WeakPolarHBondContact O-CB 3.35Å; V83-Y87 PolarHBondContact O-N 2.94Å; V83-M92 HydrophobicContact CB-CE 3.82Å; V83-M92 HydrophobicContact CG1-CE 3.42Å; V83-M92 VanDerWaalsContact CG1-CE 3.42Å
84	R	93.2	Very high	93.7	Very high	64 Å²	64	38.6 Å²	38.6	24%	0.242	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-32.9	176.1	-170.5	58.5	168.4	-152.4	-16.2	112.5	I80 S81 K82 P88 R90 D125	I80-R84 WeakPolarHBondContact O-CB 3.42Å; I80-R84 PolarHBondContact O-N 3.25Å; S81-R84 PolarHBondContact O-N 3.35Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.4Å; R84-P88 PolarHBondContact NH1-O 3.43Å; R84-P88 WeakPolarHBondContact O-CA 3.46Å; R84-R90 PolarHBondContact NH1-O 3.02Å; R84-D125 IonicContact CZ-OD1 3.86Å; R84-D125 IonicContact CZ-OD2 3.44Å; R84-D125 IonicContact NH1-OD1 3.49Å; R84-D125 PolarHBondContact NH1-OD1 3.18Å; R84-D125 IonicContact NH1-OD2 3.6Å; R84-D125 PolarHBondContact NH1-OD2 2.95Å; R84-D125 IonicContact NH2-OD1 2.7Å; R84-D125 PolarHBondContact NH2-OD1 2.98Å; R84-D125 IonicContact NH2-OD2 3.58Å
85	E	93.6	Very high	93.7	Very high	124 Å²	124	38.7 Å²	38.7	58%	0.579	19%	0.189	S	C	*	.	H	α-helix	trans	-63.7	-45.3	171.8	-74.9	174	179.9	0	0	111.8	S81 K82 V83	S81-E85 WeakPolarHBondContact O-CG 3.36Å; S81-E85 PolarHBondContact O-N 3.26Å; K82-E85 IonicContact NZ-OE1 3.81Å; K82-E85 IonicContact NZ-OE2 3.45Å; K82-E85 PolarHBondContact NZ-OE2 3.44Å; K82-E85 WeakPolarHBondContact O-CB 3.28Å; K82-E85 PolarHBondContact O-N 3.05Å; V83-E85 VanDerWaalsContact C-N 3.35Å
86	E	93.5	Very high	93.8	Very high	76 Å²	76	36.9 Å²	36.9	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-77.3	-33.3	179.9	-70.7	-164.8	-170.2	0	0	113.6	R49 K82 V83 P88	R49-E86 IonicContact CZ-OE1 2.96Å; R49-E86 IonicContact CZ-OE2 3.27Å; R49-E86 IonicContact NE-OE2 3.93Å; R49-E86 PolarHBondContact NE-OE2 3.04Å; R49-E86 VanDerWaalsContact NH2-CD 3.3Å; R49-E86 IonicContact NH2-OE1 3.72Å; R49-E86 PolarHBondContact NH2-OE1 3.28Å; R49-E86 IonicContact NH2-OE2 3.13Å; R49-E86 PolarHBondContact NH2-OE2 2.75Å; K82-E86 PolarHBondContact O-N 3.37Å; K82-E86 VanDerWaalsContact O-N 3.16Å; V83-E86 PolarHBondContact O-N 2.87Å; E86-P88 VanDerWaalsContact C-CD 3.48Å; E86-P88 WeakPolarHBondContact O-CD 3.45Å
87	Y	94.2	Very high	93.7	Very high	47 Å²	47	38 Å²	38	18%	0.184	19%	0.185	C	C	.	.			trans	-128.3	64	-172.7	-59	-83	0	0	0	112.4	A52 F61 V83 D89 R90	A52-Y87 HydrophobicContact CB-CE1 4.3Å; F61-Y87 AromaticContact CE2-CD2 3.82Å; F61-Y87 HydrophobicContact CE2-CD2 3.82Å; F61-Y87 AromaticContact CE2-CG 3.79Å; F61-Y87 HydrophobicContact CE2-CG 3.79Å; F61-Y87 HydrophobicContact CZ-CD1 4.45Å; F61-Y87 AromaticContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CE2 4.01Å; F61-Y87 AromaticContact CZ-CG 3.95Å; F61-Y87 HydrophobicContact CZ-CG 3.95Å; V83-Y87 HydrophobicContact CG1-CD2 4.11Å; V83-Y87 WeakPolarHBondContact O-CB 3.35Å; V83-Y87 PolarHBondContact O-N 2.94Å; Y87-D89 VanDerWaalsContact C-N 3.32Å; Y87-D89 PolarHBondContact O-N 3.01Å; Y87-R90 HydrophobicContact CD1-CG 4.36Å; Y87-R90 HydrophobicContact CG-CG 4.47Å; Y87-R90 PolarHBondContact O-N 3.34Å
88	P	92.5	Very high	93.5	Very high	73 Å²	73	39.6 Å²	39.6	47%	0.474	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.1	-172.3	24.5	-34.9	0	0	0	114.2	R84 E86 R90	R84-P88 PolarHBondContact NH1-O 3.43Å; R84-P88 WeakPolarHBondContact O-CA 3.46Å; E86-P88 VanDerWaalsContact C-CD 3.48Å; E86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-R90 VanDerWaalsContact C-N 3.34Å
89	D	90.9	Very high	93	Very high	130 Å²	130	40.4 Å²	40.4	70%	0.695	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.1	-176.1	-63.2	-39.5	0	0	0	114	Y87 R179	Y87-D89 VanDerWaalsContact C-N 3.32Å; Y87-D89 PolarHBondContact O-N 3.01Å; D89-R179 PolarHBondContact O-NH2 2.93Å
90	R	91.9	Very high	92.3	Very high	91 Å²	91	39.4 Å²	39.4	34%	0.343	20%	0.197	S	C	.	.	S	Bend	trans	-91.7	140.7	-175.7	-55.2	-56.8	175.8	-178.3	-9	110.3	L58 F61 R84 Y87 P88 M92	L58-R90 WeakPolarHBondContact O-CD 3.4Å; L58-R90 PolarHBondContact O-NH1 3.14Å; F61-R90 HydrophobicContact CD2-CB 4.46Å; F61-R90 HydrophobicContact CE2-CB 4.3Å; R84-R90 PolarHBondContact NH1-O 3.02Å; Y87-R90 HydrophobicContact CD1-CG 4.36Å; Y87-R90 HydrophobicContact CG-CG 4.47Å; Y87-R90 PolarHBondContact O-N 3.34Å; P88-R90 VanDerWaalsContact C-N 3.34Å; R90-M92 PolarHBondContact O-N 2.89Å
91	I	91.9	Very high	91.3	Very high	5 Å²	5	45 Å²	45	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.2	-178.7	-162.7	162.4	0	0	0	110.4	Q59 G60 F61 N93 D125 L178 A182	Q59-I91 PolarHBondContact O-N 3.12Å; G60-I91 CarbonylContact C-O 3.46Å; G60-I91 WeakPolarHBondContact CA-O 3.5Å; F61-I91 PolarHBondContact N-O 3.48Å; I91-N93 WeakPolarHBondContact CG1-OD1 3.41Å; I91-D125 WeakPolarHBondContact CA-OD2 3.39Å; I91-D125 HydrophobicContact CG1-CB 3.86Å; I91-L178 HydrophobicContact CD1-CB 3.99Å; I91-L178 WeakPolarHBondContact CD1-O 3.44Å; I91-L178 HydrophobicContact CG2-CB 4.08Å; I91-L178 HydrophobicContact CG2-CD1 4.17Å; I91-A182 HydrophobicContact CD1-CB 3.9Å
92	M	94.1	Very high	90.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.7	-179.5	-177.2	59.5	67.8	0	0	110.6	F61 I80 V83 R90 T124 D125 E126	F61-M92 HydrophobicContact CB-CE 3.84Å; F61-M92 HydrophobicContact CB-SD 3.88Å; F61-M92 HydrophobicContact CD2-CE 3.91Å; F61-M92 HydrophobicContact CG-CE 4.18Å; I80-M92 HydrophobicContact CG1-SD 4.47Å; I80-M92 HydrophobicContact CG2-CG 3.93Å; I80-M92 HydrophobicContact CG2-SD 4.37Å; V83-M92 HydrophobicContact CB-CE 3.82Å; V83-M92 HydrophobicContact CG1-CE 3.42Å; V83-M92 VanDerWaalsContact CG1-CE 3.42Å; R90-M92 PolarHBondContact O-N 2.89Å; M92-T124 HydrophobicContact CG-CG2 4.21Å; M92-D125 PolarHBondContact N-OD2 2.83Å; M92-D125 PolarHBondContact O-N 2.99Å; M92-E126 PolarHBondContact O-N 2.91Å
93	N	93.4	Very high	89.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.9	-179.4	-73.6	17	0	0	0	110.7	F61 Q62 L63 I91 E126	F61-N93 PolarHBondContact O-N 3.2Å; Q62-N93 CarbonylContact C-O 3.59Å; Q62-N93 WeakPolarHBondContact CA-O 3.28Å; Q62-N93 HydrophobicContact CG-CB 4.23Å; L63-N93 PolarHBondContact N-O 3.49Å; I91-N93 WeakPolarHBondContact CG1-OD1 3.41Å; N93-E126 CarbonylContact C-O 3.53Å; N93-E126 WeakPolarHBondContact CA-O 3.31Å; N93-E126 PolarHBondContact ND2-OE2 3.28Å; N93-E126 PolarHBondContact OD1-OE2 3.49Å
94	T	95.2	Very high	88	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.5	176.1	67.5	0	0	0	0	112.1	L63 I80 S96 L120 T124 E126 T127 Y128	L63-T94 HydrophobicContact CB-CG2 4.21Å; L63-T94 CarbonylContact O-C 3.17Å; L63-T94 VanDerWaalsContact O-CA 3.28Å; L63-T94 WeakPolarHBondContact O-CA 3.3Å; I80-T94 HydrophobicContact CD1-CG2 3.64Å; I80-T94 HydrophobicContact CG1-CG2 4.44Å; T94-S96 PolarHBondContact OG1-OG 2.7Å; T94-L120 HydrophobicContact CG2-CD2 3.95Å; T94-T124 HydrophobicContact CG2-CG2 3.43Å; T94-T124 VanDerWaalsContact CG2-CG2 3.43Å; T94-E126 PolarHBondContact N-O 3.2Å; T94-T127 CarbonylContact O-C 3.55Å; T94-T127 WeakPolarHBondContact OG1-CB 3.41Å; T94-T127 VanDerWaalsContact OG1-CG2 3.26Å; T94-T127 WeakPolarHBondContact OG1-CG2 3.49Å; T94-T127 PolarHBondContact OG1-OG1 3.36Å; T94-Y128 WeakPolarHBondContact O-CD2 3.35Å; T94-Y128 PolarHBondContact O-N 2.92Å
95	F	95.1	Very high	86.9	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	99.2	165.9	-63.5	-79.3	0	0	0	107.3	Q62 L63 T64 H65 Y128 I130 M161	Q62-F95 HydrophobicContact CB-CE2 4.47Å; L63-F95 PolarHBondContact O-N 3.49Å; T64-F95 WeakPolarHBondContact CA-O 3.38Å; T64-F95 HydrophobicContact CG2-CB 4.26Å; H65-F95 PolarHBondContact N-O 3.33Å; F95-Y128 AromaticContact CD1-CD2 3.74Å; F95-Y128 HydrophobicContact CD1-CD2 3.74Å; F95-Y128 AromaticContact CD1-CG 3.82Å; F95-Y128 HydrophobicContact CD1-CG 3.82Å; F95-Y128 HydrophobicContact CE1-CD1 4.33Å; F95-Y128 AromaticContact CE1-CD2 3.43Å; F95-Y128 HydrophobicContact CE1-CD2 3.43Å; F95-Y128 VanDerWaalsContact CE1-CD2 3.43Å; F95-Y128 HydrophobicContact CE1-CE2 4Å; F95-Y128 AromaticContact CE1-CG 3.64Å; F95-Y128 HydrophobicContact CE1-CG 3.64Å; F95-Y128 HydrophobicContact CG-CD2 4.42Å; F95-Y128 AromaticContact CZ-CD2 3.91Å; F95-Y128 HydrophobicContact CZ-CD2 3.91Å; F95-Y128 HydrophobicContact CZ-CE2 4.11Å; F95-I130 HydrophobicContact CB-CD1 4.3Å; F95-I130 HydrophobicContact CD1-CD1 4.46Å; F95-M161 HydrophobicContact CD1-CG 3.71Å; F95-M161 HydrophobicContact CD2-CE 3.7Å; F95-M161 HydrophobicContact CD2-CG 4.14Å; F95-M161 HydrophobicContact CD2-SD 4.38Å; F95-M161 HydrophobicContact CE1-CB 4.38Å; F95-M161 HydrophobicContact CE1-CG 3.68Å; F95-M161 HydrophobicContact CE2-CE 3.96Å; F95-M161 HydrophobicContact CE2-CG 4.1Å; F95-M161 HydrophobicContact CG-CE 4.18Å; F95-M161 HydrophobicContact CG-CG 3.94Å; F95-M161 HydrophobicContact CG-SD 4.27Å; F95-M161 HydrophobicContact CZ-CB 4.27Å; F95-M161 HydrophobicContact CZ-CG 3.88Å
96	S	94.4	Very high	86.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.1	-169.1	-56.6	0	0	0	0	109.7	H65 T94 V98 Y128 I130	H65-S96 PolarHBondContact CD2-OG 3.31Å; H65-S96 PolarHBondContact NE2-OG 3.24Å; H65-S96 WeakPolarHBondContact O-CA 3.43Å; T94-S96 PolarHBondContact OG1-OG 2.7Å; S96-V98 PolarHBondContact O-N 2.79Å; S96-Y128 PolarHBondContact N-O 3.07Å; S96-I130 PolarHBondContact O-N 3.19Å
97	V	91.8	Very high	86	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.6	174.6	-177	0	0	0	0	108.6	H65 L67 I130 N132	H65-V97 PolarHBondContact O-N 3.48Å; L67-V97 PolarHBondContact N-O 2.87Å; V97-I130 CarbonylContact C-O 3.57Å; V97-I130 VanDerWaalsContact CA-O 3.32Å; V97-I130 WeakPolarHBondContact CA-O 3.34Å; V97-I130 HydrophobicContact CG2-CB 4.47Å; V97-N132 WeakPolarHBondContact CG1-ND2 3.17Å; V97-N132 WeakPolarHBondContact CG1-OD1 3.29Å
98	V	89.5	Confident	85.9	Confident	36 Å²	36	55.8 Å²	55.8	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.6	177.5	-69.9	0	0	0	0	110.2	L67 S96 C129 I130 D131	L67-V98 HydrophobicContact CD1-CB 4.44Å; L67-V98 HydrophobicContact CD1-CG1 3.58Å; S96-V98 PolarHBondContact O-N 2.79Å; V98-C129 HydrophobicContact CG1-CB 4.24Å; V98-I130 WeakPolarHBondContact CG2-O 3.32Å; V98-I130 PolarHBondContact N-O 3.38Å; V98-D131 HydrophobicContact CG2-CB 3.83Å
99	P	84.2	Confident	85.7	Confident	37 Å²	37	53.6 Å²	53.6	24%	0.24	29%	0.294	C	S	.	.			trans	-66.4	151.4	178.7	29.1	-36.5	0	0	0	112	E109 A113	P99-E109 HydrophobicContact CB-CB 3.68Å; P99-E109 VanDerWaalsContact CB-CD 3.47Å; P99-E109 HydrophobicContact CB-CG 4.11Å; P99-E109 WeakPolarHBondContact CB-OE2 3.38Å; P99-E109 HydrophobicContact CG-CB 4.3Å; P99-A113 HydrophobicContact CG-CB 3.79Å
100	S	80.9	Confident	85.7	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.021	29%	0.286	C	S	.	.			trans	-126.1	133.5	170.2	161.9	0	0	0	0	110.3	K102 V103 S104 E133	S100-K102 PolarHBondContact O-N 3.4Å; S100-K102 PolarHBondContact OG-N 3.4Å; S100-V103 PolarHBondContact O-N 2.87Å; S100-S104 PolarHBondContact O-N 3.23Å; S100-E133 WeakPolarHBondContact OG-CB 3.37Å; S100-E133 PolarHBondContact OG-OE2 3.16Å
101	P	73.1	Confident	85.7	Confident	122 Å²	122	55 Å²	55	79%	0.792	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.6	179.7	28.3	-34.9	0	0	0	113.5
102	K	72.6	Confident	85.8	Confident	162 Å²	162	55 Å²	55	70%	0.704	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-22	-176.7	-65.9	-173	-169	154.4	0	113.8	S100 E133	S100-K102 PolarHBondContact O-N 3.4Å; S100-K102 PolarHBondContact OG-N 3.4Å; K102-E133 VanDerWaalsContact CD-OE1 3.3Å; K102-E133 WeakPolarHBondContact CD-OE1 3.17Å; K102-E133 VanDerWaalsContact CE-OE1 3.25Å; K102-E133 WeakPolarHBondContact CE-OE1 3.15Å; K102-E133 IonicContact NZ-OE1 2.85Å; K102-E133 PolarHBondContact NZ-OE1 2.99Å
103	V	70.1	Confident	85.7	Confident	47 Å²	47	55.4 Å²	55.4	29%	0.285	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-10	-167.7	-156.3	0	0	0	0	113.1	S100 Y136	S100-V103 PolarHBondContact O-N 2.87Å; V103-Y136 HydrophobicContact CB-CD2 4.28Å; V103-Y136 HydrophobicContact CB-CE2 4.23Å; V103-Y136 HydrophobicContact CG1-CD2 3.53Å; V103-Y136 HydrophobicContact CG1-CE2 3.14Å; V103-Y136 HydrophobicContact CG1-CG 4.43Å; V103-Y136 HydrophobicContact CG2-CD2 3.93Å; V103-Y136 HydrophobicContact CG2-CE2 4.39Å
104	S	72.2	Confident	85.7	Confident	35 Å²	35	60.2 Å²	60.2	25%	0.245	34%	0.335	C	S	.	.			trans	-105.5	137.2	-179.6	-170.6	0	0	0	0	113.2	S100 T106 E109	S100-S104 PolarHBondContact O-N 3.23Å; S104-T106 VanDerWaalsContact C-N 3.33Å; S104-T106 PolarHBondContact OG-N 2.91Å; S104-T106 PolarHBondContact OG-OG1 3.45Å; S104-E109 VanDerWaalsContact CB-OE1 3.26Å; S104-E109 WeakPolarHBondContact CB-OE1 3.21Å; S104-E109 WeakPolarHBondContact CB-OE2 3.48Å; S104-E109 PolarHBondContact OG-OE1 3.36Å; S104-E109 PolarHBondContact OG-OE2 3.38Å; S104-E109 VanDerWaalsContact OG-OE2 3.07Å
105	D	70.7	Confident	85.6	Confident	168 Å²	168	64.7 Å²	64.7	90%	0.898	36%	0.359	S	S	*	.			trans	-85.3	-4.6	174.2	-67.3	-36.3	0	0	0	112.9
106	T	81.7	Confident	85.5	Confident	36 Å²	36	64.6 Å²	64.6	22%	0.221	36%	0.358	C	S	.	.			trans	-94	111	-174.5	36.7	0	0	0	0	113.1	N27 S104 V108 E109	N27-T106 HydrophobicContact CB-CG2 4.16Å; N27-T106 WeakPolarHBondContact ND2-CG2 3.42Å; S104-T106 VanDerWaalsContact C-N 3.33Å; S104-T106 PolarHBondContact OG-N 2.91Å; S104-T106 PolarHBondContact OG-OG1 3.45Å; T106-V108 PolarHBondContact O-N 3.04Å; T106-E109 WeakPolarHBondContact O-CG 3.23Å; T106-E109 PolarHBondContact O-N 3.27Å; T106-E109 VanDerWaalsContact OG1-CD 3.3Å; T106-E109 WeakPolarHBondContact OG1-CG 3.48Å; T106-E109 PolarHBondContact OG1-OE1 3.38Å
107	V	86.8	Confident	85.5	Confident	135 Å²	135	67 Å²	67	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.5	179.4	-67.1	0	0	0	0	114.6
108	V	90.2	Very high	85.5	Confident	55 Å²	55	70.5 Å²	70.5	33%	0.333	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.8	-177.6	-65.6	0	0	0	0	114	N27 T106 P110 Y111 N112	N27-V108 HydrophobicContact CB-CG2 4.11Å; N27-V108 WeakPolarHBondContact O-CG2 3.47Å; T106-V108 PolarHBondContact O-N 3.04Å; V108-P110 VanDerWaalsContact C-CD 3.46Å; V108-Y111 WeakPolarHBondContact O-CB 3.27Å; V108-Y111 PolarHBondContact O-N 3.14Å; V108-Y111 VanDerWaalsContact O-N 3.13Å; V108-N112 PolarHBondContact O-N 3.31Å; V108-N112 VanDerWaalsContact O-N 3.09Å
109	E	89.4	Confident	85.7	Confident	27 Å²	27	71 Å²	71	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-55.5	-42.1	178.1	-71.2	-168.8	149.9	0	0	114.4	P99 S104 T106 Y111 N112 A113	P99-E109 HydrophobicContact CB-CB 3.68Å; P99-E109 VanDerWaalsContact CB-CD 3.47Å; P99-E109 HydrophobicContact CB-CG 4.11Å; P99-E109 WeakPolarHBondContact CB-OE2 3.38Å; P99-E109 HydrophobicContact CG-CB 4.3Å; S104-E109 VanDerWaalsContact CB-OE1 3.26Å; S104-E109 WeakPolarHBondContact CB-OE1 3.21Å; S104-E109 WeakPolarHBondContact CB-OE2 3.48Å; S104-E109 PolarHBondContact OG-OE1 3.36Å; S104-E109 PolarHBondContact OG-OE2 3.38Å; S104-E109 VanDerWaalsContact OG-OE2 3.07Å; T106-E109 WeakPolarHBondContact O-CG 3.23Å; T106-E109 PolarHBondContact O-N 3.27Å; T106-E109 VanDerWaalsContact OG1-CD 3.3Å; T106-E109 WeakPolarHBondContact OG1-CG 3.48Å; T106-E109 PolarHBondContact OG1-OE1 3.38Å; E109-Y111 PolarHBondContact O-N 3Å; E109-N112 PolarHBondContact O-N 3.26Å; E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.4Å; E109-A113 PolarHBondContact O-N 2.84Å
110	P	90.4	Very high	86.1	Confident	81 Å²	81	69.2 Å²	69.2	53%	0.526	38%	0.375	S	S	.	.	H	α-helix	trans	-60.3	-35.9	179.3	-24.6	35.7	0	0	0	112.2	V108 T114	V108-P110 VanDerWaalsContact C-CD 3.46Å; P110-T114 WeakPolarHBondContact O-CB 3.38Å; P110-T114 PolarHBondContact O-N 2.81Å; P110-T114 PolarHBondContact O-OG1 3.01Å
111	Y	92.7	Very high	86.7	Confident	169 Å²	169	70.1 Å²	70.1	66%	0.663	38%	0.381	S	S	*	.	H	α-helix	trans	-67	-49	175.8	-69	-80	0	0	0	111.2	V108 E109 A113 T114 L115	V108-Y111 WeakPolarHBondContact O-CB 3.27Å; V108-Y111 PolarHBondContact O-N 3.14Å; V108-Y111 VanDerWaalsContact O-N 3.13Å; E109-Y111 PolarHBondContact O-N 3Å; Y111-A113 VanDerWaalsContact C-N 3.35Å; Y111-A113 PolarHBondContact O-N 3Å; Y111-T114 PolarHBondContact O-N 3.33Å; Y111-L115 WeakPolarHBondContact O-CB 3.48Å; Y111-L115 WeakPolarHBondContact O-CG 3.46Å; Y111-L115 PolarHBondContact O-N 2.78Å; Y111-L115 VanDerWaalsContact O-N 3.09Å
112	N	92.9	Very high	87.6	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.032	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-43.9	179	-67.6	-22.4	0	0	0	111.4	N27 L29 L67 G68 V108 E109 S116	N27-N112 PolarHBondContact O-ND2 3.16Å; L29-N112 HydrophobicContact CB-CB 4.31Å; L29-N112 VanDerWaalsContact CB-OD1 3.27Å; L29-N112 WeakPolarHBondContact CB-OD1 3.48Å; L29-N112 WeakPolarHBondContact CD1-O 3.44Å; L29-N112 PolarHBondContact N-OD1 3.42Å; L29-N112 VanDerWaalsContact N-OD1 3.1Å; L67-N112 CarbonylContact O-C 3.48Å; L67-N112 WeakPolarHBondContact O-CB 3.2Å; G68-N112 PolarHBondContact O-ND2 2.98Å; V108-N112 PolarHBondContact O-N 3.31Å; V108-N112 VanDerWaalsContact O-N 3.09Å; E109-N112 PolarHBondContact O-N 3.26Å; N112-S116 VanDerWaalsContact O-CB 3.29Å; N112-S116 WeakPolarHBondContact O-CB 3.42Å; N112-S116 PolarHBondContact O-N 3.02Å; N112-S116 PolarHBondContact O-OG 3.43Å
113	A	92	Very high	88.6	Confident	13 Å²	13	63.6 Å²	63.6	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-45.6	178.8	0	0	0	0	0	111.9	L67 P99 E109 Y111 L115 S116 V117	L67-A113 HydrophobicContact CB-CB 4.29Å; L67-A113 PolarHBondContact O-N 2.87Å; P99-A113 HydrophobicContact CG-CB 3.79Å; E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.4Å; E109-A113 PolarHBondContact O-N 2.84Å; Y111-A113 VanDerWaalsContact C-N 3.35Å; Y111-A113 PolarHBondContact O-N 3Å; A113-L115 PolarHBondContact O-N 3.38Å; A113-S116 WeakPolarHBondContact CA-OG 3.48Å; A113-S116 PolarHBondContact O-N 3.47Å; A113-S116 PolarHBondContact O-OG 2.9Å; A113-V117 WeakPolarHBondContact O-CB 3.41Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.11Å
114	T	93.2	Very high	89.7	Confident	101 Å²	101	61.8 Å²	61.8	62%	0.62	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-45.5	179.8	-56.5	0	0	0	0	111.5	P110 Y111 H118	P110-T114 WeakPolarHBondContact O-CB 3.38Å; P110-T114 PolarHBondContact O-N 2.81Å; P110-T114 PolarHBondContact O-OG1 3.01Å; Y111-T114 PolarHBondContact O-N 3.33Å; T114-H118 PolarHBondContact O-N 3.36Å
115	L	93.6	Very high	90.7	Very high	94 Å²	94	62.1 Å²	62.1	49%	0.492	33%	0.331	S	S	.	.	H	α-helix	trans	-69.7	-37.9	-179.8	-67.7	172	0	0	0	112.3	L29 Y111 A113	L29-L115 HydrophobicContact CD1-CB 3.82Å; L29-L115 HydrophobicContact CD2-CB 3.87Å; L29-L115 HydrophobicContact CD2-CD1 4.02Å; L29-L115 HydrophobicContact CG-CB 4.45Å; Y111-L115 WeakPolarHBondContact O-CB 3.48Å; Y111-L115 WeakPolarHBondContact O-CG 3.46Å; Y111-L115 PolarHBondContact O-N 2.78Å; Y111-L115 VanDerWaalsContact O-N 3.09Å; A113-L115 PolarHBondContact O-N 3.38Å
116	S	93.4	Very high	91.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-75.2	-36.7	179.6	51.7	0	0	0	0	113.4	L67 N112 A113 H118 Q119 L120	L67-S116 WeakPolarHBondContact CD2-OG 3.31Å; N112-S116 VanDerWaalsContact O-CB 3.29Å; N112-S116 WeakPolarHBondContact O-CB 3.42Å; N112-S116 PolarHBondContact O-N 3.02Å; N112-S116 PolarHBondContact O-OG 3.43Å; A113-S116 WeakPolarHBondContact CA-OG 3.48Å; A113-S116 PolarHBondContact O-N 3.47Å; A113-S116 PolarHBondContact O-OG 2.9Å; S116-H118 VanDerWaalsContact C-N 3.26Å; S116-H118 PolarHBondContact O-N 3.44Å; S116-Q119 PolarHBondContact O-N 3.3Å; S116-Q119 VanDerWaalsContact O-N 3.16Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 2.93Å
117	V	93.6	Very high	92.4	Very high	51 Å²	51	52.4 Å²	52.4	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-38.4	175	169	0	0	0	0	110.8	L67 A113 Q119 L120 V121 F193	L67-V117 HydrophobicContact CD1-CG2 4.46Å; A113-V117 WeakPolarHBondContact O-CB 3.41Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.11Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.1Å; V117-L120 PolarHBondContact O-N 3.49Å; V117-L120 VanDerWaalsContact O-N 3.14Å; V117-V121 HydrophobicContact CG1-CG2 4.17Å; V117-V121 VanDerWaalsContact O-CG2 3.29Å; V117-V121 WeakPolarHBondContact O-CG2 3.46Å; V117-V121 PolarHBondContact O-N 3.01Å; V117-F193 HydrophobicContact CG1-CZ 4.15Å
118	H	93.3	Very high	92.7	Very high	102 Å²	102	46.4 Å²	46.4	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-55.3	-44.4	175.5	177.8	32.7	0	0	0	112.3	T114 S116 E122	T114-H118 PolarHBondContact O-N 3.36Å; S116-H118 VanDerWaalsContact C-N 3.26Å; S116-H118 PolarHBondContact O-N 3.44Å; H118-E122 IonicContact CE1-OE1 3.36Å; H118-E122 PolarHBondContact CE1-OE1 3.05Å; H118-E122 VanDerWaalsContact CE1-OE1 3.32Å; H118-E122 IonicContact ND1-OE1 2.67Å
119	Q	92.3	Very high	92.9	Very high	46 Å²	46	45.3 Å²	45.3	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-70.9	-34.4	177.8	-66.2	-63.1	-34.3	0	0	112.8	T77 S116 V117 N123	T77-Q119 HydrophobicContact CG2-CB 3.81Å; S116-Q119 PolarHBondContact O-N 3.3Å; S116-Q119 VanDerWaalsContact O-N 3.16Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.1Å; Q119-N123 WeakPolarHBondContact O-CB 3.33Å; Q119-N123 PolarHBondContact O-N 3.28Å; Q119-N123 PolarHBondContact O-ND2 2.81Å
120	L	93.5	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-40.3	176.6	-72	162.9	0	0	0	111.8	L67 T77 I80 T94 S116 V117 E122 N123 T124 H192	L67-L120 HydrophobicContact CD2-CD1 3.43Å; L67-L120 VanDerWaalsContact CD2-CD1 3.43Å; T77-L120 HydrophobicContact CG2-CG 4.45Å; I80-L120 HydrophobicContact CD1-CD2 3.57Å; T94-L120 HydrophobicContact CG2-CD2 3.95Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 2.93Å; V117-L120 PolarHBondContact O-N 3.49Å; V117-L120 VanDerWaalsContact O-N 3.14Å; L120-E122 PolarHBondContact O-N 3.4Å; L120-E122 VanDerWaalsContact O-N 3.12Å; L120-N123 PolarHBondContact O-N 3.39Å; L120-T124 HydrophobicContact CB-CG2 4.4Å; L120-T124 HydrophobicContact CD2-CG2 3.44Å; L120-T124 VanDerWaalsContact CD2-CG2 3.44Å; L120-T124 PolarHBondContact O-N 3.13Å; L120-T124 VanDerWaalsContact O-N 3.07Å; L120-T124 PolarHBondContact O-OG1 3.4Å; L120-H192 PolarHBondContact O-NE2 3.46Å
121	V	94	Very high	93	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-31.8	179.9	171.3	0	0	0	0	112.4	V117 R190 H192 F193	V117-V121 HydrophobicContact CG1-CG2 4.17Å; V117-V121 VanDerWaalsContact O-CG2 3.29Å; V117-V121 WeakPolarHBondContact O-CG2 3.46Å; V117-V121 PolarHBondContact O-N 3.01Å; V121-R190 HydrophobicContact CG1-CB 4.19Å; V121-R190 HydrophobicContact CG1-CG 4.14Å; V121-H192 PolarHBondContact O-CE1 2.75Å; V121-H192 VanDerWaalsContact O-CE1 3.31Å; V121-F193 HydrophobicContact CG2-CE2 3.8Å; V121-F193 HydrophobicContact CG2-CZ 3.68Å
122	E	91.3	Very high	92.6	Very high	122 Å²	122	37.3 Å²	37.3	57%	0.57	20%	0.2	S	C	*	.	H	α-helix	trans	-94.3	-29.9	-175.4	-65.2	-179.2	178.4	0	0	113.2	H118 L120	H118-E122 IonicContact CE1-OE1 3.36Å; H118-E122 PolarHBondContact CE1-OE1 3.05Å; H118-E122 VanDerWaalsContact CE1-OE1 3.32Å; H118-E122 IonicContact ND1-OE1 2.67Å; L120-E122 PolarHBondContact O-N 3.4Å; L120-E122 VanDerWaalsContact O-N 3.12Å
123	N	93.3	Very high	92.3	Very high	25 Å²	25	39 Å²	39	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-112.7	-8.5	-167.5	-59.3	-64.9	0	0	0	115.2	I80 Q119 L120	I80-N123 HydrophobicContact CG2-CB 3.57Å; Q119-N123 WeakPolarHBondContact O-CB 3.33Å; Q119-N123 PolarHBondContact O-N 3.28Å; Q119-N123 PolarHBondContact O-ND2 2.81Å; L120-N123 PolarHBondContact O-N 3.39Å
124	T	94	Very high	92.2	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.049	22%	0.22	C	C	.	.			trans	-106.6	147.8	178.4	64.9	0	0	0	0	112.2	I80 M92 T94 L120 T127 H192	I80-T124 HydrophobicContact CD1-CG2 4.08Å; I80-T124 HydrophobicContact CG2-CG2 3.97Å; M92-T124 HydrophobicContact CG-CG2 4.21Å; T94-T124 HydrophobicContact CG2-CG2 3.43Å; T94-T124 VanDerWaalsContact CG2-CG2 3.43Å; L120-T124 HydrophobicContact CB-CG2 4.4Å; L120-T124 HydrophobicContact CD2-CG2 3.44Å; L120-T124 VanDerWaalsContact CD2-CG2 3.44Å; L120-T124 PolarHBondContact O-N 3.13Å; L120-T124 VanDerWaalsContact O-N 3.07Å; L120-T124 PolarHBondContact O-OG1 3.4Å; T124-T127 PolarHBondContact OG1-OG1 3.39Å; T124-H192 PolarHBondContact O-CD2 3.45Å; T124-H192 VanDerWaalsContact O-CD2 3.25Å; T124-H192 PolarHBondContact O-NE2 3.29Å; T124-H192 PolarHBondContact OG1-CD2 3.5Å; T124-H192 VanDerWaalsContact OG1-CD2 3.22Å; T124-H192 PolarHBondContact OG1-NE2 3.42Å
125	D	92.6	Very high	92	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	20%	0.195	C	C	.	.	S	Bend	trans	-93.9	-32.7	174.6	-58.5	-59.4	0	0	0	110.9	R84 I91 M92 H192	R84-D125 IonicContact CZ-OD1 3.86Å; R84-D125 IonicContact CZ-OD2 3.44Å; R84-D125 IonicContact NH1-OD1 3.49Å; R84-D125 PolarHBondContact NH1-OD1 3.18Å; R84-D125 IonicContact NH1-OD2 3.6Å; R84-D125 PolarHBondContact NH1-OD2 2.95Å; R84-D125 IonicContact NH2-OD1 2.7Å; R84-D125 PolarHBondContact NH2-OD1 2.98Å; R84-D125 IonicContact NH2-OD2 3.58Å; I91-D125 WeakPolarHBondContact CA-OD2 3.39Å; I91-D125 HydrophobicContact CG1-CB 3.86Å; M92-D125 PolarHBondContact N-OD2 2.83Å; M92-D125 PolarHBondContact O-N 2.99Å; D125-H192 VanDerWaalsContact O-CB 3.26Å; D125-H192 WeakPolarHBondContact O-CB 3.03Å
126	E	92.6	Very high	91.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.2	176.2	-56	-176.1	161	0	0	110.8	M92 N93 T94 Y128 A182 F194	M92-E126 PolarHBondContact O-N 2.91Å; N93-E126 CarbonylContact C-O 3.53Å; N93-E126 WeakPolarHBondContact CA-O 3.31Å; N93-E126 PolarHBondContact ND2-OE2 3.28Å; N93-E126 PolarHBondContact OD1-OE2 3.49Å; T94-E126 PolarHBondContact N-O 3.2Å; E126-Y128 HydrophobicContact CB-CE2 4.19Å; E126-Y128 PolarHBondContact OE2-OH 3.33Å; E126-A182 HydrophobicContact CG-CB 4.07Å; E126-A182 WeakPolarHBondContact OE1-CA 3.32Å; E126-A182 VanDerWaalsContact OE1-CB 3.29Å; E126-A182 WeakPolarHBondContact OE1-CB 3.11Å; E126-A182 PolarHBondContact OE1-N 3.48Å; E126-F194 HydrophobicContact CB-CD2 4.26Å; E126-F194 HydrophobicContact CB-CE2 3.86Å; E126-F194 HydrophobicContact CG-CE2 3.77Å; E126-F194 HydrophobicContact CG-CZ 4.5Å
127	T	94.7	Very high	91.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114	175.9	-65.1	0	0	0	0	111.1	T94 T124 C129 H192 F193 F194	T94-T127 CarbonylContact O-C 3.55Å; T94-T127 WeakPolarHBondContact OG1-CB 3.41Å; T94-T127 VanDerWaalsContact OG1-CG2 3.26Å; T94-T127 WeakPolarHBondContact OG1-CG2 3.49Å; T94-T127 PolarHBondContact OG1-OG1 3.36Å; T124-T127 PolarHBondContact OG1-OG1 3.39Å; T127-C129 PolarHBondContact O-N 3.19Å; T127-H192 PolarHBondContact N-O 2.93Å; T127-F193 HydrophobicContact CG2-CD1 3.64Å; T127-F193 HydrophobicContact CG2-CE1 3.76Å; T127-F193 CarbonylContact O-C 3.56Å; T127-F193 WeakPolarHBondContact O-CA 3.43Å; T127-F194 PolarHBondContact O-N 3.28Å
128	Y	94.7	Very high	91.4	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	106.8	175	-58.3	-86.7	0	0	0	109.5	T94 F95 S96 E126 I130 V164 L181 F194	T94-Y128 WeakPolarHBondContact O-CD2 3.35Å; T94-Y128 PolarHBondContact O-N 2.92Å; F95-Y128 AromaticContact CD1-CD2 3.74Å; F95-Y128 HydrophobicContact CD1-CD2 3.74Å; F95-Y128 AromaticContact CD1-CG 3.82Å; F95-Y128 HydrophobicContact CD1-CG 3.82Å; F95-Y128 HydrophobicContact CE1-CD1 4.33Å; F95-Y128 AromaticContact CE1-CD2 3.43Å; F95-Y128 HydrophobicContact CE1-CD2 3.43Å; F95-Y128 VanDerWaalsContact CE1-CD2 3.43Å; F95-Y128 HydrophobicContact CE1-CE2 4Å; F95-Y128 AromaticContact CE1-CG 3.64Å; F95-Y128 HydrophobicContact CE1-CG 3.64Å; F95-Y128 HydrophobicContact CG-CD2 4.42Å; F95-Y128 AromaticContact CZ-CD2 3.91Å; F95-Y128 HydrophobicContact CZ-CD2 3.91Å; F95-Y128 HydrophobicContact CZ-CE2 4.11Å; S96-Y128 PolarHBondContact N-O 3.07Å; E126-Y128 HydrophobicContact CB-CE2 4.19Å; E126-Y128 PolarHBondContact OE2-OH 3.33Å; Y128-I130 PolarHBondContact O-N 2.87Å; Y128-V164 HydrophobicContact CE1-CG1 4.32Å; Y128-V164 HydrophobicContact CE1-CG2 4Å; Y128-V164 HydrophobicContact CE2-CG1 4.41Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.39Å; Y128-L181 WeakPolarHBondContact OH-CD2 3.44Å; Y128-F194 WeakPolarHBondContact CA-O 3.17Å; Y128-F194 HydrophobicContact CD1-CB 3.9Å; Y128-F194 HydrophobicContact CD1-CD2 4.17Å; Y128-F194 HydrophobicContact CE1-CB 4.16Å; Y128-F194 AromaticContact CE1-CD2 3.69Å; Y128-F194 HydrophobicContact CE1-CD2 3.69Å; Y128-F194 HydrophobicContact CE1-CG 4.39Å; Y128-F194 AromaticContact CZ-CD2 3.91Å
129	C	93.3	Very high	91.1	Very high	32 Å²	32	32.4 Å²	32.4	22%	0.216	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108.7	179.6	-66.7	0	0	0	0	110.4	V98 T127 F194 P196	V98-C129 HydrophobicContact CG1-CB 4.24Å; T127-C129 PolarHBondContact O-N 3.19Å; C129-F194 PolarHBondContact N-O 2.93Å; C129-P196 WeakPolarHBondContact O-CD 3.21Å
130	I	92.4	Very high	90.8	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.1	-179.4	-60.7	174.6	0	0	0	108.8	F95 S96 V97 V98 Y128 L135 V157 P196	F95-I130 HydrophobicContact CB-CD1 4.3Å; F95-I130 HydrophobicContact CD1-CD1 4.46Å; S96-I130 PolarHBondContact O-N 3.19Å; V97-I130 CarbonylContact C-O 3.57Å; V97-I130 VanDerWaalsContact CA-O 3.32Å; V97-I130 WeakPolarHBondContact CA-O 3.34Å; V97-I130 HydrophobicContact CG2-CB 4.47Å; V98-I130 WeakPolarHBondContact CG2-O 3.32Å; V98-I130 PolarHBondContact N-O 3.38Å; Y128-I130 PolarHBondContact O-N 2.87Å; I130-L135 HydrophobicContact CG2-CD1 3.56Å; I130-L135 HydrophobicContact CG2-CG 4.3Å; I130-V157 HydrophobicContact CD1-CB 4.49Å; I130-V157 HydrophobicContact CD1-CG1 3.65Å; I130-V157 HydrophobicContact CD1-CG2 4.2Å; I130-V157 HydrophobicContact CG2-CG2 3.8Å; I130-P196 HydrophobicContact CG1-CG 3.91Å
131	D	89.9	Confident	90.5	Very high	60 Å²	60	43.9 Å²	43.9	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.4	177.2	-178.9	7.8	0	0	0	111.4	V98 E133 A134 L135	V98-D131 HydrophobicContact CG2-CB 3.83Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.93Å; D131-E133 WeakPolarHBondContact OD1-CB 3.18Å; D131-E133 PolarHBondContact OD1-N 3.36Å; D131-A134 HydrophobicContact CB-CB 3.96Å; D131-A134 PolarHBondContact O-N 3.48Å; D131-L135 WeakPolarHBondContact O-CG 3.29Å; D131-L135 PolarHBondContact O-N 2.88Å
132	N	84.3	Confident	90.1	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-39.2	175.2	-82.6	-19.4	0	0	0	111.7	V97 A134 L135 Y136	V97-N132 WeakPolarHBondContact CG1-ND2 3.17Å; V97-N132 WeakPolarHBondContact CG1-OD1 3.29Å; N132-A134 PolarHBondContact O-N 3.4Å; N132-L135 PolarHBondContact O-N 3.32Å; N132-Y136 WeakPolarHBondContact O-CD2 3.34Å; N132-Y136 PolarHBondContact O-N 2.65Å
133	E	87.3	Confident	89.9	Confident	42 Å²	42	41.7 Å²	41.7	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-47.7	179.5	-167.1	169.8	155	0	0	111.1	S100 K102 D131 L135 Y136 D137	S100-E133 WeakPolarHBondContact OG-CB 3.37Å; S100-E133 PolarHBondContact OG-OE2 3.16Å; K102-E133 VanDerWaalsContact CD-OE1 3.3Å; K102-E133 WeakPolarHBondContact CD-OE1 3.17Å; K102-E133 VanDerWaalsContact CE-OE1 3.25Å; K102-E133 WeakPolarHBondContact CE-OE1 3.15Å; K102-E133 IonicContact NZ-OE1 2.85Å; K102-E133 PolarHBondContact NZ-OE1 2.99Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.93Å; D131-E133 WeakPolarHBondContact OD1-CB 3.18Å; D131-E133 PolarHBondContact OD1-N 3.36Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.42Å; E133-Y136 PolarHBondContact O-N 3.09Å; E133-D137 PolarHBondContact O-N 3.4Å
134	A	89.7	Confident	89.6	Confident	44 Å²	44	48 Å²	48	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-41.2	175.9	0	0	0	0	0	111.8	D131 N132 D137 I138	D131-A134 HydrophobicContact CB-CB 3.96Å; D131-A134 PolarHBondContact O-N 3.48Å; N132-A134 PolarHBondContact O-N 3.4Å; A134-D137 PolarHBondContact O-N 2.84Å; A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 WeakPolarHBondContact O-CD1 3.44Å; A134-I138 WeakPolarHBondContact O-CG1 3.25Å; A134-I138 PolarHBondContact O-N 2.66Å
135	L	89.2	Confident	89.1	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-43.1	175.6	-70.7	174.5	0	0	0	112.3	I130 D131 N132 E133 I138 C139 L153 L156 V157	I130-L135 HydrophobicContact CG2-CD1 3.56Å; I130-L135 HydrophobicContact CG2-CG 4.3Å; D131-L135 WeakPolarHBondContact O-CG 3.29Å; D131-L135 PolarHBondContact O-N 2.88Å; N132-L135 PolarHBondContact O-N 3.32Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.42Å; L135-I138 PolarHBondContact O-N 3.28Å; L135-C139 PolarHBondContact O-N 3.32Å; L135-C139 PolarHBondContact O-SG 2.93Å; L135-C139 VanDerWaalsContact O-SG 3.4Å; L135-L153 HydrophobicContact CB-CD2 3.96Å; L135-L153 HydrophobicContact CB-CG 3.98Å; L135-L153 HydrophobicContact CD1-CB 4.43Å; L135-L153 HydrophobicContact CD1-CD2 4.39Å; L135-L156 HydrophobicContact CD2-CB 3.89Å; L135-L156 HydrophobicContact CD2-CD1 4.01Å; L135-V157 HydrophobicContact CD1-CG2 3.58Å; L135-V157 HydrophobicContact CD2-CG2 4.5Å
136	Y	87.9	Confident	88.6	Confident	46 Å²	46	53.6 Å²	53.6	18%	0.18	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-45.9	175.1	-86.3	-73.4	0	0	0	111.3	V103 N132 E133 I138 C139 F140 P148 L153	V103-Y136 HydrophobicContact CB-CD2 4.28Å; V103-Y136 HydrophobicContact CB-CE2 4.23Å; V103-Y136 HydrophobicContact CG1-CD2 3.53Å; V103-Y136 HydrophobicContact CG1-CE2 3.14Å; V103-Y136 HydrophobicContact CG1-CG 4.43Å; V103-Y136 HydrophobicContact CG2-CD2 3.93Å; V103-Y136 HydrophobicContact CG2-CE2 4.39Å; N132-Y136 WeakPolarHBondContact O-CD2 3.34Å; N132-Y136 PolarHBondContact O-N 2.65Å; E133-Y136 PolarHBondContact O-N 3.09Å; Y136-I138 VanDerWaalsContact C-N 3.34Å; Y136-I138 PolarHBondContact O-N 3.18Å; Y136-C139 PolarHBondContact O-N 2.94Å; Y136-F140 WeakPolarHBondContact O-CB 3.39Å; Y136-F140 PolarHBondContact O-N 3.14Å; Y136-P148 HydrophobicContact CD1-CB 3.95Å; Y136-P148 HydrophobicContact CD1-CG 3.56Å; Y136-P148 HydrophobicContact CE1-CB 4.14Å; Y136-P148 HydrophobicContact CE1-CG 3.94Å; Y136-L153 HydrophobicContact CD1-CD1 4.15Å; Y136-L153 HydrophobicContact CD2-CD2 3.68Å; Y136-L153 HydrophobicContact CE1-CD1 3.87Å; Y136-L153 HydrophobicContact CE1-CD2 4.29Å; Y136-L153 HydrophobicContact CE2-CD1 4.41Å; Y136-L153 HydrophobicContact CE2-CD2 3.35Å; Y136-L153 HydrophobicContact CG-CD2 4.23Å
137	D	89	Confident	88.3	Confident	61 Å²	61	58.9 Å²	58.9	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-39.6	177.2	-105.6	-22.5	0	0	0	111.8	E133 A134 F140 R141	E133-D137 PolarHBondContact O-N 3.4Å; A134-D137 PolarHBondContact O-N 2.84Å; D137-F140 PolarHBondContact O-N 3.01Å; D137-R141 VanDerWaalsContact O-CB 3.25Å; D137-R141 WeakPolarHBondContact O-CB 3.35Å; D137-R141 WeakPolarHBondContact O-CG 3.33Å; D137-R141 PolarHBondContact O-N 3.33Å; D137-R141 IonicContact OD1-CZ 2.88Å; D137-R141 IonicContact OD1-NE 2.75Å; D137-R141 PolarHBondContact OD1-NE 2.89Å; D137-R141 IonicContact OD1-NH2 3.89Å; D137-R141 PolarHBondContact OD1-NH2 3.49Å; D137-R141 VanDerWaalsContact OD1-NH2 3.13Å; D137-R141 IonicContact OD2-CZ 3.77Å; D137-R141 IonicContact OD2-NE 3.68Å; D137-R141 IonicContact OD2-NH2 3.32Å; D137-R141 PolarHBondContact OD2-NH2 2.89Å
138	I	89.8	Confident	87.8	Confident	52 Å²	52	60.2 Å²	60.2	27%	0.267	31%	0.311	S	S	.	.	I	π-helix	trans	-63.2	-48.7	175.1	-73.5	165	0	0	0	110.9	A134 L135 Y136 F140 T142 L143 L156 L201	A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 WeakPolarHBondContact O-CD1 3.44Å; A134-I138 WeakPolarHBondContact O-CG1 3.25Å; A134-I138 PolarHBondContact O-N 2.66Å; L135-I138 PolarHBondContact O-N 3.28Å; Y136-I138 VanDerWaalsContact C-N 3.34Å; Y136-I138 PolarHBondContact O-N 3.18Å; I138-F140 VanDerWaalsContact C-N 3.32Å; I138-F140 PolarHBondContact O-N 2.91Å; I138-T142 WeakPolarHBondContact O-CA 3.34Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.47Å; I138-T142 PolarHBondContact O-N 3.4Å; I138-L143 PolarHBondContact O-N 2.82Å; I138-L143 VanDerWaalsContact O-N 3.14Å; I138-L156 HydrophobicContact CB-CD1 4.5Å; I138-L156 HydrophobicContact CG2-CD1 3.85Å; I138-L201 HydrophobicContact CG2-CD1 3.65Å
139	C	87.9	Confident	87.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.331	C	S	.	.	I	π-helix	trans	-61.1	-42.8	179	-74.2	0	0	0	0	111.8	L135 Y136 L143 K144 L145 P148 L156	L135-C139 PolarHBondContact O-N 3.32Å; L135-C139 PolarHBondContact O-SG 2.93Å; L135-C139 VanDerWaalsContact O-SG 3.4Å; Y136-C139 PolarHBondContact O-N 2.94Å; C139-L143 WeakPolarHBondContact O-CB 3.43Å; C139-K144 PolarHBondContact O-N 3.21Å; C139-L145 HydrophobicContact CB-CD1 4.34Å; C139-L145 PolarHBondContact O-N 3.45Å; C139-P148 HydrophobicContact CB-CB 3.72Å; C139-L156 VanDerWaalsContact SG-CD1 3.5Å
140	F	86.4	Confident	87.2	Confident	118 Å²	118	68.4 Å²	68.4	52%	0.518	35%	0.347	S	S	.	.	I	π-helix	trans	-72	-53.7	-178.7	-172	-100.1	0	0	0	112.1	Y136 D137 I138 K144 L145	Y136-F140 WeakPolarHBondContact O-CB 3.39Å; Y136-F140 PolarHBondContact O-N 3.14Å; D137-F140 PolarHBondContact O-N 3.01Å; I138-F140 VanDerWaalsContact C-N 3.32Å; I138-F140 PolarHBondContact O-N 2.91Å; F140-K144 WeakPolarHBondContact O-CA 3.34Å; F140-K144 PolarHBondContact O-N 3.46Å; F140-L145 WeakPolarHBondContact CD2-O 3.32Å
141	R	86.6	Confident	87	Confident	169 Å²	169	70.3 Å²	70.3	64%	0.638	37%	0.369	S	S	*	.	I	π-helix	trans	-80.8	-44.2	-172.5	-59.3	-177.6	-166.7	-161.1	6.8	113.1	D137	D137-R141 VanDerWaalsContact O-CB 3.25Å; D137-R141 WeakPolarHBondContact O-CB 3.35Å; D137-R141 WeakPolarHBondContact O-CG 3.33Å; D137-R141 PolarHBondContact O-N 3.33Å; D137-R141 IonicContact OD1-CZ 2.88Å; D137-R141 IonicContact OD1-NE 2.75Å; D137-R141 PolarHBondContact OD1-NE 2.89Å; D137-R141 IonicContact OD1-NH2 3.89Å; D137-R141 PolarHBondContact OD1-NH2 3.49Å; D137-R141 VanDerWaalsContact OD1-NH2 3.13Å; D137-R141 IonicContact OD2-CZ 3.77Å; D137-R141 IonicContact OD2-NE 3.68Å; D137-R141 IonicContact OD2-NH2 3.32Å; D137-R141 PolarHBondContact OD2-NH2 2.89Å
142	T	86.3	Confident	86.9	Confident	63 Å²	63	69.6 Å²	69.6	39%	0.387	37%	0.365	S	S	.	.	I	π-helix	trans	-91.2	-47.5	-170.6	-52	0	0	0	0	111.8	I138 K144 L201	I138-T142 WeakPolarHBondContact O-CA 3.34Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.47Å; I138-T142 PolarHBondContact O-N 3.4Å; T142-K144 VanDerWaalsContact C-N 3.3Å; T142-L201 HydrophobicContact CG2-CB 3.76Å; T142-L201 WeakPolarHBondContact CG2-O 3.5Å
143	L	85.7	Confident	87.1	Confident	35 Å²	35	67.9 Å²	67.9	18%	0.183	36%	0.356	C	S	.	.	S	Bend	trans	-81.1	-14.2	179.3	-64.8	171.9	0	0	0	112.8	I138 C139 L145 L156 S203	I138-L143 PolarHBondContact O-N 2.82Å; I138-L143 VanDerWaalsContact O-N 3.14Å; C139-L143 WeakPolarHBondContact O-CB 3.43Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 HydrophobicContact CB-CD1 4.22Å; L143-L145 HydrophobicContact CB-CG 4.09Å; L143-L145 HydrophobicContact CD1-CD1 4.43Å; L143-L156 HydrophobicContact CD1-CD1 4.36Å; L143-L156 HydrophobicContact CD1-CD2 4.3Å; L143-S203 VanDerWaalsContact O-CB 3.29Å; L143-S203 WeakPolarHBondContact O-CB 3.21Å; L143-S203 PolarHBondContact O-OG 3.19Å
144	K	86.8	Confident	87.2	Confident	157 Å²	157	70.5 Å²	70.5	68%	0.683	37%	0.371	S	S	*	.			trans	59	39.4	-177.1	-56.7	-158.1	175.9	-168.5	0	112.9	C139 F140 T142	C139-K144 PolarHBondContact O-N 3.21Å; F140-K144 WeakPolarHBondContact O-CA 3.34Å; F140-K144 PolarHBondContact O-N 3.46Å; T142-K144 VanDerWaalsContact C-N 3.3Å
145	L	84.9	Confident	87.2	Confident	48 Å²	48	76.2 Å²	76.2	25%	0.251	38%	0.384	S	S	.	.			trans	-86.9	122.6	172.8	-63.4	173.9	0	0	0	109.2	C139 F140 L143 D152	C139-L145 HydrophobicContact CB-CD1 4.34Å; C139-L145 PolarHBondContact O-N 3.45Å; F140-L145 WeakPolarHBondContact CD2-O 3.32Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 HydrophobicContact CB-CD1 4.22Å; L143-L145 HydrophobicContact CB-CG 4.09Å; L143-L145 HydrophobicContact CD1-CD1 4.43Å; L145-D152 HydrophobicContact CD1-CB 4.1Å
146	T	81.6	Confident	87.3	Confident	120 Å²	120	75.8 Å²	75.8	74%	0.736	38%	0.382	S	S	*	.	S	Bend	trans	-72.2	-33.1	-178.1	47.1	0	0	0	0	113
147	T	85.6	Confident	87.5	Confident	111 Å²	111	74.4 Å²	74.4	68%	0.681	38%	0.378	S	S	*	.	S	Bend	trans	-133.1	78.7	-179.3	52	0	0	0	0	109.2	T149	T147-T149 PolarHBondContact O-N 3.06Å
148	P	85	Confident	87.7	Confident	29 Å²	29	74.2 Å²	74.2	19%	0.188	38%	0.382	C	S	.	.			trans	-60	130.3	177.8	23.4	-33.1	0	0	0	111.1	Y136 C139 L153	Y136-P148 HydrophobicContact CD1-CB 3.95Å; Y136-P148 HydrophobicContact CD1-CG 3.56Å; Y136-P148 HydrophobicContact CE1-CB 4.14Å; Y136-P148 HydrophobicContact CE1-CG 3.94Å; C139-P148 HydrophobicContact CB-CB 3.72Å; P148-L153 HydrophobicContact CB-CD1 4.22Å
149	T	87.9	Confident	87.7	Confident	75 Å²	75	72.8 Å²	72.8	46%	0.46	38%	0.378	S	S	.	.			trans	-105	160.5	177.8	68.3	0	0	0	0	110.8	T147 G151 D152 L153	T147-T149 PolarHBondContact O-N 3.06Å; T149-G151 PolarHBondContact O-N 2.97Å; T149-G151 VanDerWaalsContact O-N 3.08Å; T149-G151 PolarHBondContact OG1-N 3Å; T149-D152 PolarHBondContact N-OD2 3.39Å; T149-D152 WeakPolarHBondContact O-CB 3.45Å; T149-D152 PolarHBondContact O-N 3Å; T149-D152 PolarHBondContact OG1-N 3.42Å; T149-D152 PolarHBondContact OG1-OD2 3.32Å; T149-L153 WeakPolarHBondContact O-CD1 3.43Å; T149-L153 PolarHBondContact O-N 3.05Å
150	Y	86.5	Confident	87.9	Confident	139 Å²	139	73.9 Å²	73.9	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-55.2	-27.6	171.8	-77.8	-67.5	0	0	0	113.2	L153 N154	Y150-L153 PolarHBondContact O-N 3.45Å; Y150-N154 VanDerWaalsContact O-CB 3.24Å; Y150-N154 WeakPolarHBondContact O-CB 3.44Å; Y150-N154 PolarHBondContact O-N 3.29Å; Y150-N154 PolarHBondContact O-ND2 2.97Å
151	G	88.4	Confident	88.1	Confident	50 Å²	50	70.2 Å²	70.2	52%	0.515	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-41.1	172.9	0	0	0	0	0	112.8	T149 Y155	T149-G151 PolarHBondContact O-N 2.97Å; T149-G151 VanDerWaalsContact O-N 3.08Å; T149-G151 PolarHBondContact OG1-N 3Å; G151-Y155 PolarHBondContact O-N 2.96Å
152	D	87.7	Confident	88.4	Confident	45 Å²	45	64.6 Å²	64.6	24%	0.241	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-41.3	177.8	-57.1	-61.9	0	0	0	111.4	L145 T149 Y155 L156	L145-D152 HydrophobicContact CD1-CB 4.1Å; T149-D152 PolarHBondContact N-OD2 3.39Å; T149-D152 WeakPolarHBondContact O-CB 3.45Å; T149-D152 PolarHBondContact O-N 3Å; T149-D152 PolarHBondContact OG1-N 3.42Å; T149-D152 PolarHBondContact OG1-OD2 3.32Å; D152-Y155 WeakPolarHBondContact O-CB 3.29Å; D152-Y155 PolarHBondContact O-N 2.94Å; D152-L156 PolarHBondContact O-N 3.46Å
153	L	89.1	Confident	88.5	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176.1	-80.2	77.4	0	0	0	110.9	L135 Y136 P148 T149 Y150 Y155 L156 V157	L135-L153 HydrophobicContact CB-CD2 3.96Å; L135-L153 HydrophobicContact CB-CG 3.98Å; L135-L153 HydrophobicContact CD1-CB 4.43Å; L135-L153 HydrophobicContact CD1-CD2 4.39Å; Y136-L153 HydrophobicContact CD1-CD1 4.15Å; Y136-L153 HydrophobicContact CD2-CD2 3.68Å; Y136-L153 HydrophobicContact CE1-CD1 3.87Å; Y136-L153 HydrophobicContact CE1-CD2 4.29Å; Y136-L153 HydrophobicContact CE2-CD1 4.41Å; Y136-L153 HydrophobicContact CE2-CD2 3.35Å; Y136-L153 HydrophobicContact CG-CD2 4.23Å; P148-L153 HydrophobicContact CB-CD1 4.22Å; T149-L153 WeakPolarHBondContact O-CD1 3.43Å; T149-L153 PolarHBondContact O-N 3.05Å; Y150-L153 PolarHBondContact O-N 3.45Å; L153-Y155 PolarHBondContact O-N 2.91Å; L153-L156 WeakPolarHBondContact O-CB 3.42Å; L153-L156 PolarHBondContact O-N 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 3.32Å
154	N	89.8	Confident	88.6	Confident	98 Å²	98	63.5 Å²	63.5	52%	0.524	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-30.1	178.7	-70.5	-16.3	0	0	0	112	Y150 S158	Y150-N154 VanDerWaalsContact O-CB 3.24Å; Y150-N154 WeakPolarHBondContact O-CB 3.44Å; Y150-N154 PolarHBondContact O-N 3.29Å; Y150-N154 PolarHBondContact O-ND2 2.97Å; N154-S158 VanDerWaalsContact O-CB 3.31Å; N154-S158 WeakPolarHBondContact O-CB 3.05Å; N154-S158 PolarHBondContact O-N 3.25Å; N154-S158 PolarHBondContact O-OG 3.46Å
155	Y	90.3	Very high	88.6	Confident	163 Å²	163	56.9 Å²	56.9	64%	0.639	33%	0.332	S	S	*	.	H	α-helix	trans	-64.7	-43.5	172.5	-178.2	-99.5	0	0	0	112.1	G151 D152 L153 S158 A159	G151-Y155 PolarHBondContact O-N 2.96Å; D152-Y155 WeakPolarHBondContact O-CB 3.29Å; D152-Y155 PolarHBondContact O-N 2.94Å; L153-Y155 PolarHBondContact O-N 2.91Å; Y155-S158 WeakPolarHBondContact CA-OG 3.25Å; Y155-S158 PolarHBondContact O-OG 3.19Å; Y155-A159 WeakPolarHBondContact O-CB 3.25Å; Y155-A159 PolarHBondContact O-N 2.84Å
156	L	89.9	Confident	88.7	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-42.3	176.5	-69.5	177.8	0	0	0	112.4	L135 I138 C139 L143 D152 L153 A159 T160 L201	L135-L156 HydrophobicContact CD2-CB 3.89Å; L135-L156 HydrophobicContact CD2-CD1 4.01Å; I138-L156 HydrophobicContact CB-CD1 4.5Å; I138-L156 HydrophobicContact CG2-CD1 3.85Å; C139-L156 VanDerWaalsContact SG-CD1 3.5Å; L143-L156 HydrophobicContact CD1-CD1 4.36Å; L143-L156 HydrophobicContact CD1-CD2 4.3Å; D152-L156 PolarHBondContact O-N 3.46Å; L153-L156 WeakPolarHBondContact O-CB 3.42Å; L153-L156 PolarHBondContact O-N 3.27Å; L156-A159 PolarHBondContact O-N 3.05Å; L156-T160 PolarHBondContact O-N 3.06Å; L156-T160 VanDerWaalsContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 3.21Å; L156-L201 HydrophobicContact CD2-CD2 3.48Å; L156-L201 VanDerWaalsContact CD2-CD2 3.48Å
157	V	92.2	Very high	88.7	Confident	17 Å²	17	53.9 Å²	53.9	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-48.7	177	171.5	0	0	0	0	110.7	I130 L135 L153 A159 T160 M161	I130-V157 HydrophobicContact CD1-CB 4.49Å; I130-V157 HydrophobicContact CD1-CG1 3.65Å; I130-V157 HydrophobicContact CD1-CG2 4.2Å; I130-V157 HydrophobicContact CG2-CG2 3.8Å; L135-V157 HydrophobicContact CD1-CG2 3.58Å; L135-V157 HydrophobicContact CD2-CG2 4.5Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 3.32Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 2.89Å; V157-T160 WeakPolarHBondContact O-CB 3.3Å; V157-T160 PolarHBondContact O-N 3.43Å; V157-T160 VanDerWaalsContact O-N 3.14Å; V157-M161 HydrophobicContact CG1-CG 4.38Å; V157-M161 HydrophobicContact CG1-SD 3.86Å; V157-M161 WeakPolarHBondContact O-CG 3.44Å; V157-M161 PolarHBondContact O-N 3.23Å
158	S	92.6	Very high	88.6	Confident	58 Å²	58	51.8 Å²	51.8	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-35	178.6	57.5	0	0	0	0	113	N154 Y155 T160 M161 S162	N154-S158 VanDerWaalsContact O-CB 3.31Å; N154-S158 WeakPolarHBondContact O-CB 3.05Å; N154-S158 PolarHBondContact O-N 3.25Å; N154-S158 PolarHBondContact O-OG 3.46Å; Y155-S158 WeakPolarHBondContact CA-OG 3.25Å; Y155-S158 PolarHBondContact O-OG 3.19Å; S158-T160 VanDerWaalsContact C-N 3.33Å; S158-T160 PolarHBondContact O-N 3.3Å; S158-M161 PolarHBondContact O-N 3.3Å; S158-S162 VanDerWaalsContact O-CB 3.28Å; S158-S162 WeakPolarHBondContact O-CB 2.98Å; S158-S162 PolarHBondContact O-N 3.38Å
159	A	91.5	Very high	88.7	Confident	22 Å²	22	56 Å²	56	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-41.5	173.3	0	0	0	0	0	112	Y155 L156 V157 S162 G163 F198	Y155-A159 WeakPolarHBondContact O-CB 3.25Å; Y155-A159 PolarHBondContact O-N 2.84Å; L156-A159 PolarHBondContact O-N 3.05Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 2.89Å; A159-S162 PolarHBondContact O-N 3.05Å; A159-G163 PolarHBondContact O-N 3.06Å; A159-F198 HydrophobicContact CB-CE2 4.43Å
160	T	90.7	Very high	88.7	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-49.2	175.9	-55.8	0	0	0	0	111.4	L156 V157 S158 S162 G163 V164 P196	L156-T160 PolarHBondContact O-N 3.06Å; L156-T160 VanDerWaalsContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 3.21Å; V157-T160 WeakPolarHBondContact O-CB 3.3Å; V157-T160 PolarHBondContact O-N 3.43Å; V157-T160 VanDerWaalsContact O-N 3.14Å; S158-T160 VanDerWaalsContact C-N 3.33Å; S158-T160 PolarHBondContact O-N 3.3Å; T160-S162 VanDerWaalsContact C-N 3.26Å; T160-S162 PolarHBondContact O-N 3.23Å; T160-G163 WeakPolarHBondContact O-CA 3.26Å; T160-G163 PolarHBondContact O-N 3.06Å; T160-V164 PolarHBondContact O-N 2.67Å; T160-P196 HydrophobicContact CG2-CB 3.34Å; T160-P196 HydrophobicContact CG2-CG 4.35Å
161	M	92.2	Very high	88.6	Confident	42 Å²	42	58 Å²	58	21%	0.207	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-39.8	177.5	-67.7	172.1	69.8	0	0	111.7	T64 F95 V157 S158 V164 T165	T64-M161 WeakPolarHBondContact OG1-CE 3Å; F95-M161 HydrophobicContact CD1-CG 3.71Å; F95-M161 HydrophobicContact CD2-CE 3.7Å; F95-M161 HydrophobicContact CD2-CG 4.14Å; F95-M161 HydrophobicContact CD2-SD 4.38Å; F95-M161 HydrophobicContact CE1-CB 4.38Å; F95-M161 HydrophobicContact CE1-CG 3.68Å; F95-M161 HydrophobicContact CE2-CE 3.96Å; F95-M161 HydrophobicContact CE2-CG 4.1Å; F95-M161 HydrophobicContact CG-CE 4.18Å; F95-M161 HydrophobicContact CG-CG 3.94Å; F95-M161 HydrophobicContact CG-SD 4.27Å; F95-M161 HydrophobicContact CZ-CB 4.27Å; F95-M161 HydrophobicContact CZ-CG 3.88Å; V157-M161 HydrophobicContact CG1-CG 4.38Å; V157-M161 HydrophobicContact CG1-SD 3.86Å; V157-M161 WeakPolarHBondContact O-CG 3.44Å; V157-M161 PolarHBondContact O-N 3.23Å; S158-M161 PolarHBondContact O-N 3.3Å; M161-V164 PolarHBondContact O-N 2.76Å; M161-T165 WeakPolarHBondContact O-CG2 3.34Å; M161-T165 PolarHBondContact O-N 3.2Å; M161-T165 VanDerWaalsContact O-N 3.16Å; M161-T165 PolarHBondContact O-OG1 3.33Å
162	S	91.5	Very high	88.1	Confident	50 Å²	50	57.5 Å²	57.5	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-46.3	172.8	-177.6	0	0	0	0	110.7	S158 A159 T160 V164 T165 T166 R169	S158-S162 VanDerWaalsContact O-CB 3.28Å; S158-S162 WeakPolarHBondContact O-CB 2.98Å; S158-S162 PolarHBondContact O-N 3.38Å; A159-S162 PolarHBondContact O-N 3.05Å; T160-S162 VanDerWaalsContact C-N 3.26Å; T160-S162 PolarHBondContact O-N 3.23Å; S162-V164 PolarHBondContact O-N 2.81Å; S162-T165 CarbonylContact O-C 3.55Å; S162-T165 PolarHBondContact O-N 3.27Å; S162-T165 PolarHBondContact O-OG1 3.41Å; S162-T166 PolarHBondContact O-N 3.01Å; S162-T166 PolarHBondContact O-OG1 3.09Å; S162-R169 PolarHBondContact O-NH2 3.21Å; S162-R169 PolarHBondContact OG-NH2 3.4Å
163	G	88.7	Confident	87.5	Confident	39 Å²	39	63.3 Å²	63.3	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-54.7	-51	176.4	0	0	0	0	0	113	A159 T160 T165 T166	A159-G163 PolarHBondContact O-N 3.06Å; T160-G163 WeakPolarHBondContact O-CA 3.26Å; T160-G163 PolarHBondContact O-N 3.06Å; G163-T165 VanDerWaalsContact C-N 3.28Å; G163-T165 PolarHBondContact O-N 3.46Å; G163-T166 WeakPolarHBondContact O-CB 3.27Å; G163-T166 PolarHBondContact O-N 3.11Å; G163-T166 PolarHBondContact O-OG1 2.7Å
164	V	87.1	Confident	86.7	Confident	37 Å²	37	70.5 Å²	70.5	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-39.2	179	175.5	0	0	0	0	111.9	Y128 T160 M161 S162 L178	Y128-V164 HydrophobicContact CE1-CG1 4.32Å; Y128-V164 HydrophobicContact CE1-CG2 4Å; Y128-V164 HydrophobicContact CE2-CG1 4.41Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.39Å; T160-V164 PolarHBondContact O-N 2.67Å; M161-V164 PolarHBondContact O-N 2.76Å; S162-V164 PolarHBondContact O-N 2.81Å; V164-L178 HydrophobicContact CG1-CD2 4.27Å
165	T	87.6	Confident	85.7	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-91.5	2.8	-177.3	58.1	0	0	0	0	114.3	M161 S162 G163 C167 L168 R169	M161-T165 WeakPolarHBondContact O-CG2 3.34Å; M161-T165 PolarHBondContact O-N 3.2Å; M161-T165 VanDerWaalsContact O-N 3.16Å; M161-T165 PolarHBondContact O-OG1 3.33Å; S162-T165 CarbonylContact O-C 3.55Å; S162-T165 PolarHBondContact O-N 3.27Å; S162-T165 PolarHBondContact O-OG1 3.41Å; G163-T165 VanDerWaalsContact C-N 3.28Å; G163-T165 PolarHBondContact O-N 3.46Å; T165-C167 VanDerWaalsContact C-N 3.31Å; T165-C167 PolarHBondContact O-N 3.13Å; T165-L168 PolarHBondContact O-N 3.27Å; T165-R169 PolarHBondContact O-N 2.96Å; T165-R169 PolarHBondContact O-NE 3.46Å; T165-R169 PolarHBondContact OG1-NE 3.2Å; T165-R169 PolarHBondContact OG1-NH2 3.44Å
166	T	87.9	Confident	84.8	Confident	55 Å²	55	63.4 Å²	63.4	34%	0.337	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-40.5	-174.8	-65.8	0	0	0	0	111.3	S162 G163 L168 R169 F170	S162-T166 PolarHBondContact O-N 3.01Å; S162-T166 PolarHBondContact O-OG1 3.09Å; G163-T166 WeakPolarHBondContact O-CB 3.27Å; G163-T166 PolarHBondContact O-N 3.11Å; G163-T166 PolarHBondContact O-OG1 2.7Å; T166-L168 PolarHBondContact O-N 3.13Å; T166-R169 PolarHBondContact O-N 2.89Å; T166-R169 VanDerWaalsContact O-N 3.09Å; T166-F170 HydrophobicContact CG2-CD2 4.1Å; T166-F170 PolarHBondContact O-N 3.43Å
167	C	81.6	Confident	84.3	Confident	49 Å²	49	65.9 Å²	65.9	33%	0.331	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-18.4	-179.6	-56	0	0	0	0	114.1	T165 A176	T165-C167 VanDerWaalsContact C-N 3.31Å; T165-C167 PolarHBondContact O-N 3.13Å; C167-A176 WeakPolarHBondContact CB-O 3.33Å
168	L	83.1	Confident	83.7	Confident	68 Å²	68	65.6 Å²	65.6	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-88	-29.3	175.9	-54.2	177	0	0	0	111.9	T165 T166 D177 L178	T165-L168 PolarHBondContact O-N 3.27Å; T166-L168 PolarHBondContact O-N 3.13Å; L168-D177 HydrophobicContact CD2-CB 4.26Å; L168-L178 HydrophobicContact CD1-CD1 3.83Å; L168-L178 HydrophobicContact CD1-CD2 4.25Å; L168-L178 HydrophobicContact CD1-CG 3.79Å; L168-L178 HydrophobicContact CD2-CG 4.47Å
169	R	87.4	Confident	83.3	Confident	118 Å²	118	68.5 Å²	68.5	45%	0.445	38%	0.38	S	S	.	.	H	α-helix	trans	-94.6	-26.7	-172.1	-67.7	-177.4	-70.3	118.3	-2.9	113	S162 T165 T166	S162-R169 PolarHBondContact O-NH2 3.21Å; S162-R169 PolarHBondContact OG-NH2 3.4Å; T165-R169 PolarHBondContact O-N 2.96Å; T165-R169 PolarHBondContact O-NE 3.46Å; T165-R169 PolarHBondContact OG1-NE 3.2Å; T165-R169 PolarHBondContact OG1-NH2 3.44Å; T166-R169 PolarHBondContact O-N 2.89Å; T166-R169 VanDerWaalsContact O-N 3.09Å
170	F	86.7	Confident	83	Confident	129 Å²	129	72.3 Å²	72.3	57%	0.566	39%	0.392	S	S	*	.	S	Bend	trans	-131.7	144.3	-176.3	-60.6	-71.7	0	0	0	111.6	T166 G172	T166-F170 HydrophobicContact CG2-CD2 4.1Å; T166-F170 PolarHBondContact O-N 3.43Å; F170-G172 PolarHBondContact O-N 3.21Å
171	P	83.7	Confident	82.7	Confident	126 Å²	126	74 Å²	74	82%	0.818	40%	0.4	S	S	*	.			trans	-69.4	122.8	172.4	29.2	-33	0	0	0	110
172	G	78.4	Confident	82.3	Confident	39 Å²	39	72.7 Å²	72.7	40%	0.402	40%	0.396	S	S	.	.			trans	-114.5	161.8	170.3	0	0	0	0	0	112	F170 L174 N175	F170-G172 PolarHBondContact O-N 3.21Å; G172-L174 VanDerWaalsContact C-N 3.27Å; G172-N175 WeakPolarHBondContact CA-OD1 3.34Å; G172-N175 PolarHBondContact N-OD1 2.86Å; G172-N175 PolarHBondContact O-ND2 3.07Å; G172-N175 VanDerWaalsContact O-ND2 3.1Å; G172-N175 PolarHBondContact O-OD1 3.17Å; G172-N175 VanDerWaalsContact O-OD1 3.11Å
173	Q	76.4	Confident	82.1	Confident	167 Å²	167	75.5 Å²	75.5	78%	0.78	41%	0.411	S	S	*	.	S	Bend	trans	-67	-32.2	171.6	-71.6	-176.8	-32.7	0	0	112
174	L	70.5	Confident	82.1	Confident	154 Å²	154	79 Å²	79	81%	0.806	42%	0.42	S	S	*	.	S	Bend	trans	-121.6	85.1	177.3	-165.2	86.5	0	0	0	109	G172 A176	G172-L174 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 2.59Å
175	N	69	Low	82.1	Confident	80 Å²	80	82.6 Å²	82.6	43%	0.428	44%	0.436	S	S	.	.			trans	-80.4	121.8	177.4	-62.1	-36.6	0	0	0	110.1	G172	G172-N175 WeakPolarHBondContact CA-OD1 3.34Å; G172-N175 PolarHBondContact N-OD1 2.86Å; G172-N175 PolarHBondContact O-ND2 3.07Å; G172-N175 VanDerWaalsContact O-ND2 3.1Å; G172-N175 PolarHBondContact O-OD1 3.17Å; G172-N175 VanDerWaalsContact O-OD1 3.11Å
176	A	73.1	Confident	82.2	Confident	31 Å²	31	83.2 Å²	83.2	26%	0.256	44%	0.44	S	S	.	.			trans	-110.4	109.5	165	0	0	0	0	0	107.6	C167 L174	C167-A176 WeakPolarHBondContact CB-O 3.33Å; L174-A176 PolarHBondContact O-N 2.59Å
177	D	78.6	Confident	82.4	Confident	63 Å²	63	85.3 Å²	85.3	34%	0.337	45%	0.454	S	S	.	.			trans	-73	166.8	169.4	75.6	-39.2	0	0	0	109.7	L168 R179 K180 L181	L168-D177 HydrophobicContact CD2-CB 4.26Å; D177-R179 PolarHBondContact O-N 3.1Å; D177-R179 WeakPolarHBondContact OD2-CB 3.45Å; D177-K180 PolarHBondContact O-N 3.41Å; D177-K180 VanDerWaalsContact O-N 3.12Å; D177-K180 WeakPolarHBondContact OD1-CB 3.4Å; D177-K180 PolarHBondContact OD1-N 3.07Å; D177-L181 PolarHBondContact O-N 2.78Å
178	L	80.1	Confident	82.8	Confident	10 Å²	10	89.3 Å²	89.3	5%	0.052	47%	0.466	C	S	.	.	H	α-helix	trans	-58.1	-37.8	-178.8	-62.8	176	0	0	0	111.4	I91 V164 L168 K180 L181 A182	I91-L178 HydrophobicContact CD1-CB 3.99Å; I91-L178 WeakPolarHBondContact CD1-O 3.44Å; I91-L178 HydrophobicContact CG2-CB 4.08Å; I91-L178 HydrophobicContact CG2-CD1 4.17Å; V164-L178 HydrophobicContact CG1-CD2 4.27Å; L168-L178 HydrophobicContact CD1-CD1 3.83Å; L168-L178 HydrophobicContact CD1-CD2 4.25Å; L168-L178 HydrophobicContact CD1-CG 3.79Å; L168-L178 HydrophobicContact CD2-CG 4.47Å; L178-K180 PolarHBondContact O-N 3.37Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 2.86Å; L178-A182 PolarHBondContact O-N 2.9Å
179	R	84	Confident	82.9	Confident	120 Å²	120	91.5 Å²	91.5	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-39.9	179	-168.4	174.6	-65.3	-84.2	2.6	112	D89 D177 L181 A182 V183	D89-R179 PolarHBondContact O-NH2 2.93Å; D177-R179 PolarHBondContact O-N 3.1Å; D177-R179 WeakPolarHBondContact OD2-CB 3.45Å; R179-L181 VanDerWaalsContact C-N 3.34Å; R179-A182 PolarHBondContact O-N 2.57Å; R179-V183 VanDerWaalsContact O-CG2 3.26Å; R179-V183 WeakPolarHBondContact O-CG2 3.2Å; R179-V183 PolarHBondContact O-N 3.46Å
180	K	85.7	Confident	83	Confident	102 Å²	102	94.5 Å²	94.5	44%	0.443	50%	0.496	S	S	.	.	H	α-helix	trans	-70.4	-31.4	175.3	-173.8	168.8	-175.7	-177.6	0	112.2	D177 L178 N184	D177-K180 PolarHBondContact O-N 3.41Å; D177-K180 VanDerWaalsContact O-N 3.12Å; D177-K180 WeakPolarHBondContact OD1-CB 3.4Å; D177-K180 PolarHBondContact OD1-N 3.07Å; L178-K180 PolarHBondContact O-N 3.37Å; K180-N184 WeakPolarHBondContact CG-ND2 3.49Å; K180-N184 WeakPolarHBondContact O-CB 3.12Å; K180-N184 PolarHBondContact O-N 3.44Å; K180-N184 VanDerWaalsContact O-N 3.12Å; K180-N184 PolarHBondContact O-ND2 3.21Å
181	L	83.4	Confident	83.2	Confident	56 Å²	56	93.7 Å²	93.7	29%	0.293	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-51	170.9	-161.4	93.5	0	0	0	110.3	Y128 D177 L178 R179 V183 N184 M185 F194	Y128-L181 WeakPolarHBondContact OH-CD2 3.44Å; D177-L181 PolarHBondContact O-N 2.78Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 2.86Å; R179-L181 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.38Å; L181-N184 PolarHBondContact O-N 2.84Å; L181-M185 HydrophobicContact CG-CG 4.47Å; L181-M185 WeakPolarHBondContact O-CB 3.08Å; L181-M185 PolarHBondContact O-N 2.94Å; L181-F194 HydrophobicContact CD2-CE2 4.28Å
182	A	83.7	Confident	83.7	Confident	15 Å²	15	87.7 Å²	87.7	12%	0.124	46%	0.458	C	S	.	.	H	α-helix	trans	-56.2	-50	177.9	0	0	0	0	0	111.9	I91 E126 L178 R179 N184 M185 V186	I91-A182 HydrophobicContact CD1-CB 3.9Å; E126-A182 HydrophobicContact CG-CB 4.07Å; E126-A182 WeakPolarHBondContact OE1-CA 3.32Å; E126-A182 VanDerWaalsContact OE1-CB 3.29Å; E126-A182 WeakPolarHBondContact OE1-CB 3.11Å; E126-A182 PolarHBondContact OE1-N 3.48Å; L178-A182 PolarHBondContact O-N 2.9Å; R179-A182 PolarHBondContact O-N 2.57Å; A182-N184 VanDerWaalsContact C-N 3.27Å; A182-N184 PolarHBondContact O-N 3.5Å; A182-M185 PolarHBondContact O-N 3.38Å; A182-V186 VanDerWaalsContact O-CB 3.26Å; A182-V186 WeakPolarHBondContact O-CB 3.39Å; A182-V186 WeakPolarHBondContact O-CG2 3.45Å; A182-V186 PolarHBondContact O-N 3.22Å
183	V	87.3	Confident	84.4	Confident	109 Å²	109	89.3 Å²	89.3	66%	0.661	45%	0.454	S	S	*	.	H	α-helix	trans	-61.6	-34.5	-179.1	171.1	0	0	0	0	112.5	R179 L181	R179-V183 VanDerWaalsContact O-CG2 3.26Å; R179-V183 WeakPolarHBondContact O-CG2 3.2Å; R179-V183 PolarHBondContact O-N 3.46Å; L181-V183 PolarHBondContact O-N 3.38Å
184	N	88	Confident	85.2	Confident	113 Å²	113	82.5 Å²	82.5	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-83.8	-31.5	-177.7	-70.4	-31.1	0	0	0	113.4	K180 L181 A182	K180-N184 WeakPolarHBondContact CG-ND2 3.49Å; K180-N184 WeakPolarHBondContact O-CB 3.12Å; K180-N184 PolarHBondContact O-N 3.44Å; K180-N184 VanDerWaalsContact O-N 3.12Å; K180-N184 PolarHBondContact O-ND2 3.21Å; L181-N184 PolarHBondContact O-N 2.84Å; A182-N184 VanDerWaalsContact C-N 3.27Å; A182-N184 PolarHBondContact O-N 3.5Å
185	M	87.7	Confident	86.2	Confident	113 Å²	113	83.4 Å²	83.4	56%	0.557	42%	0.424	S	S	*	.	H	α-helix	trans	-106.3	-16.5	-169.7	-65.4	-73.7	-74	0	0	113.5	L181 A182 P187 F194	L181-M185 HydrophobicContact CG-CG 4.47Å; L181-M185 WeakPolarHBondContact O-CB 3.08Å; L181-M185 PolarHBondContact O-N 2.94Å; A182-M185 PolarHBondContact O-N 3.38Å; M185-P187 WeakPolarHBondContact O-CD 3.43Å; M185-F194 HydrophobicContact CB-CE1 3.5Å; M185-F194 VanDerWaalsContact CB-CE1 3.5Å; M185-F194 HydrophobicContact CB-CE2 4.44Å; M185-F194 HydrophobicContact CB-CZ 3.44Å; M185-F194 VanDerWaalsContact CB-CZ 3.44Å; M185-F194 HydrophobicContact CG-CZ 4.5Å
186	V	90.6	Very high	87.3	Confident	30 Å²	30	81.7 Å²	81.7	18%	0.182	42%	0.418	C	S	.	.			trans	-105.9	92.2	179.1	-173.2	0	0	0	0	110.2	A182 F188 H192 F194	A182-V186 VanDerWaalsContact O-CB 3.26Å; A182-V186 WeakPolarHBondContact O-CB 3.39Å; A182-V186 WeakPolarHBondContact O-CG2 3.45Å; A182-V186 PolarHBondContact O-N 3.22Å; V186-F188 VanDerWaalsContact C-N 3.34Å; V186-F188 WeakPolarHBondContact CG1-O 3.4Å; V186-H192 HydrophobicContact CG1-CB 3.85Å; V186-H192 HydrophobicContact CG2-CB 3.85Å; V186-F194 HydrophobicContact CG2-CE1 4.08Å; V186-F194 HydrophobicContact CG2-CE2 4.49Å; V186-F194 HydrophobicContact CG2-CZ 3.54Å
187	P	90.7	Very high	88	Confident	99 Å²	99	83.6 Å²	83.6	64%	0.643	44%	0.44	S	S	*	.	S	Bend	trans	-73.1	-27.5	178.4	28.5	-34.8	0	0	0	112.8	M185	M185-P187 WeakPolarHBondContact O-CD 3.43Å
188	F	90.9	Very high	88.3	Confident	133 Å²	133	85 Å²	85	58%	0.583	44%	0.443	S	S	*	.	S	Bend	trans	-133.9	139	-179.3	-64.2	-77.7	0	0	0	110.3	V186 R190 L191	V186-F188 VanDerWaalsContact C-N 3.34Å; V186-F188 WeakPolarHBondContact CG1-O 3.4Å; F188-R190 PolarHBondContact O-N 2.92Å; F188-L191 HydrophobicContact CB-CB 4.33Å; F188-L191 HydrophobicContact CB-CD1 4.28Å; F188-L191 HydrophobicContact CB-CG 4.36Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.4Å
189	P	84.6	Confident	88.6	Confident	115 Å²	115	88.6 Å²	88.6	75%	0.747	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.2	-174.1	-28.1	34.9	0	0	0	116.2	H192	P189-H192 PolarHBondContact O-CE1 3.08Å; P189-H192 PolarHBondContact O-ND1 2.81Å; P189-H192 VanDerWaalsContact O-ND1 3.12Å
190	R	90.5	Very high	88.8	Confident	181 Å²	181	85.9 Å²	85.9	68%	0.683	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.1	179.5	-60.7	-176.4	69	-176	2.6	113.9	V121 F188	V121-R190 HydrophobicContact CG1-CB 4.19Å; V121-R190 HydrophobicContact CG1-CG 4.14Å; F188-R190 PolarHBondContact O-N 2.92Å
191	L	91.4	Very high	88.6	Confident	111 Å²	111	83.2 Å²	83.2	58%	0.581	46%	0.463	S	S	*	.			trans	-115.4	57	-175.9	-64.6	-179.5	0	0	0	110.4	F188	F188-L191 HydrophobicContact CB-CB 4.33Å; F188-L191 HydrophobicContact CB-CD1 4.28Å; F188-L191 HydrophobicContact CB-CG 4.36Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.4Å
192	H	93.8	Very high	88.2	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.005	46%	0.463	C	S	.	.			trans	-109.9	21.3	-177	55.7	-71.7	0	0	0	113.6	L120 V121 T124 D125 T127 V186 P189	L120-H192 PolarHBondContact O-NE2 3.46Å; V121-H192 PolarHBondContact O-CE1 2.75Å; V121-H192 VanDerWaalsContact O-CE1 3.31Å; T124-H192 PolarHBondContact O-CD2 3.45Å; T124-H192 VanDerWaalsContact O-CD2 3.25Å; T124-H192 PolarHBondContact O-NE2 3.29Å; T124-H192 PolarHBondContact OG1-CD2 3.5Å; T124-H192 VanDerWaalsContact OG1-CD2 3.22Å; T124-H192 PolarHBondContact OG1-NE2 3.42Å; D125-H192 VanDerWaalsContact O-CB 3.26Å; D125-H192 WeakPolarHBondContact O-CB 3.03Å; T127-H192 PolarHBondContact N-O 2.93Å; V186-H192 HydrophobicContact CG1-CB 3.85Å; V186-H192 HydrophobicContact CG2-CB 3.85Å; P189-H192 PolarHBondContact O-CE1 3.08Å; P189-H192 PolarHBondContact O-ND1 2.81Å; P189-H192 VanDerWaalsContact O-ND1 3.12Å
193	F	93.5	Very high	87.7	Confident	72 Å²	72	82.9 Å²	82.9	32%	0.316	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.8	176.1	-63.9	-78.7	0	0	0	110.7	V117 V121 T127	V117-F193 HydrophobicContact CG1-CZ 4.15Å; V121-F193 HydrophobicContact CG2-CE2 3.8Å; V121-F193 HydrophobicContact CG2-CZ 3.68Å; T127-F193 HydrophobicContact CG2-CD1 3.64Å; T127-F193 HydrophobicContact CG2-CE1 3.76Å; T127-F193 CarbonylContact O-C 3.56Å; T127-F193 WeakPolarHBondContact O-CA 3.43Å
194	F	92.6	Very high	86.9	Confident	24 Å²	24	87.7 Å²	87.7	11%	0.105	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.3	177.1	-58.5	-36.6	0	0	0	111.5	E126 T127 Y128 C129 L181 M185 V186 P196	E126-F194 HydrophobicContact CB-CD2 4.26Å; E126-F194 HydrophobicContact CB-CE2 3.86Å; E126-F194 HydrophobicContact CG-CE2 3.77Å; E126-F194 HydrophobicContact CG-CZ 4.5Å; T127-F194 PolarHBondContact O-N 3.28Å; Y128-F194 WeakPolarHBondContact CA-O 3.17Å; Y128-F194 HydrophobicContact CD1-CB 3.9Å; Y128-F194 HydrophobicContact CD1-CD2 4.17Å; Y128-F194 HydrophobicContact CE1-CB 4.16Å; Y128-F194 AromaticContact CE1-CD2 3.69Å; Y128-F194 HydrophobicContact CE1-CD2 3.69Å; Y128-F194 HydrophobicContact CE1-CG 4.39Å; Y128-F194 AromaticContact CZ-CD2 3.91Å; C129-F194 PolarHBondContact N-O 2.93Å; L181-F194 HydrophobicContact CD2-CE2 4.28Å; M185-F194 HydrophobicContact CB-CE1 3.5Å; M185-F194 VanDerWaalsContact CB-CE1 3.5Å; M185-F194 HydrophobicContact CB-CE2 4.44Å; M185-F194 HydrophobicContact CB-CZ 3.44Å; M185-F194 VanDerWaalsContact CB-CZ 3.44Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; V186-F194 HydrophobicContact CG2-CE1 4.08Å; V186-F194 HydrophobicContact CG2-CE2 4.49Å; V186-F194 HydrophobicContact CG2-CZ 3.54Å; F194-P196 WeakPolarHBondContact O-CD 3.34Å
195	M	91.7	Very high	85.7	Confident	174 Å²	174	85 Å²	85	86%	0.857	47%	0.468	S	S	*	.			trans	-99.3	107	169.2	-66.7	-176.4	68.5	0	0	108.6
196	P	90.9	Very high	84.7	Confident	44 Å²	44	82.4 Å²	82.4	29%	0.286	46%	0.461	S	S	.	.			trans	-69.9	146.5	177.6	24.6	-27.7	0	0	0	111.9	C129 I130 T160 F194	C129-P196 WeakPolarHBondContact O-CD 3.21Å; I130-P196 HydrophobicContact CG1-CG 3.91Å; T160-P196 HydrophobicContact CG2-CB 3.34Å; T160-P196 HydrophobicContact CG2-CG 4.35Å; F194-P196 WeakPolarHBondContact O-CD 3.34Å
197	G	88.1	Confident	83.3	Confident	71 Å²	71	88.7 Å²	88.7	73%	0.732	48%	0.481	S	S	*	.			trans	-141.3	146.4	172	0	0	0	0	0	110.7
198	F	86.4	Confident	81.7	Confident	92 Å²	92	92.4 Å²	92.4	40%	0.404	49%	0.49	S	S	.	.			trans	-125.6	131.1	176	-172.5	-94.9	0	0	0	110.3	A159 L201	A159-F198 HydrophobicContact CB-CE2 4.43Å; F198-L201 HydrophobicContact CD1-CD2 3.79Å; F198-L201 HydrophobicContact CD1-CG 4.2Å; F198-L201 VanDerWaalsContact O-CD1 3.31Å; F198-L201 WeakPolarHBondContact O-CD1 3.4Å; F198-L201 WeakPolarHBondContact O-CG 3.19Å
199	A	86.2	Confident	80	Confident	86 Å²	86	96 Å²	96	71%	0.711	50%	0.501	S	S	*	.			trans	-139.5	143.4	169.6	0	0	0	0	0	107.8
200	P	86.9	Confident	78.5	Confident	62 Å²	62	95.8 Å²	95.8	40%	0.403	49%	0.485	S	S	.	.			cis	-89.4	140.8	5.7	35.2	-36.7	0	0	0	113.6	R210	P200-R210 VanDerWaalsContact CG-NH2 3.28Å
201	L	81.1	Confident	76.3	Confident	47 Å²	47	91.8 Å²	91.8	25%	0.246	49%	0.485	C	S	.	.			trans	-105.8	108.9	172.6	-68.7	164.9	0	0	0	109.4	I138 T142 L156 F198	I138-L201 HydrophobicContact CG2-CD1 3.65Å; T142-L201 HydrophobicContact CG2-CB 3.76Å; T142-L201 WeakPolarHBondContact CG2-O 3.5Å; L156-L201 HydrophobicContact CD2-CD2 3.48Å; L156-L201 VanDerWaalsContact CD2-CD2 3.48Å; F198-L201 HydrophobicContact CD1-CD2 3.79Å; F198-L201 HydrophobicContact CD1-CG 4.2Å; F198-L201 VanDerWaalsContact O-CD1 3.31Å; F198-L201 WeakPolarHBondContact O-CD1 3.4Å; F198-L201 WeakPolarHBondContact O-CG 3.19Å
202	T	74.9	Confident	74.5	Confident	49 Å²	49	93.1 Å²	93.1	30%	0.301	49%	0.492	S	S	.	.			trans	-120.8	126.3	-177.2	55.5	0	0	0	0	111.5
203	S	74.3	Confident	71.9	Confident	15 Å²	15	98.5 Å²	98.5	11%	0.105	53%	0.525	C	S	.	.			trans	-55.5	147	168.2	176.3	0	0	0	0	111.4	L143 G205 S206 R207	L143-S203 VanDerWaalsContact O-CB 3.29Å; L143-S203 WeakPolarHBondContact O-CB 3.21Å; L143-S203 PolarHBondContact O-OG 3.19Å; S203-G205 PolarHBondContact O-N 3.26Å; S203-G205 PolarHBondContact OG-N 3.13Å; S203-S206 PolarHBondContact O-N 2.89Å; S203-R207 PolarHBondContact O-N 3.22Å
204	R	70.1	Confident	69.7	Low	209 Å²	209	100.9 Å²	100.9	79%	0.789	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-54	-35.8	176.1	-67.4	-175.8	-178.5	-177.4	2.3	112
205	G	64.1	Low	67.4	Low	57 Å²	57	105 Å²	105	59%	0.588	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-75.6	-20.3	178.2	0	0	0	0	0	114.8	S203	S203-G205 PolarHBondContact O-N 3.26Å; S203-G205 PolarHBondContact OG-N 3.13Å
206	S	66.5	Low	65.1	Low	59 Å²	59	103.7 Å²	103.7	41%	0.413	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-94.2	-5	-179.2	-54.6	0	0	0	0	113.4	S203 Q208 Y209	S203-S206 PolarHBondContact O-N 2.89Å; S206-Q208 VanDerWaalsContact C-N 3.26Å; S206-Q208 PolarHBondContact O-N 3.21Å; S206-Y209 PolarHBondContact O-N 3.2Å
207	R	60.8	Low	62.6	Low	161 Å²	161	106 Å²	106	61%	0.608	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-60.6	-32.2	-179.4	-78.5	-174	174.7	-173	-2	113.5	S203 Y209 R210	S203-R207 PolarHBondContact O-N 3.22Å; R207-Y209 PolarHBondContact O-N 3.27Å; R207-R210 PolarHBondContact O-N 2.84Å
208	Q	57.5	Low	60.2	Low	178 Å²	178	108.7 Å²	108.7	83%	0.832	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-67.5	-20.1	-179.3	-75.2	179	-14.8	0	0	113.8	S206 R210	S206-Q208 VanDerWaalsContact C-N 3.26Å; S206-Q208 PolarHBondContact O-N 3.21Å; Q208-R210 VanDerWaalsContact C-N 3.31Å; Q208-R210 PolarHBondContact O-N 3.41Å
209	Y	55.5	Low	57.9	Low	207 Å²	207	108.4 Å²	108.4	81%	0.812	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-91.8	11.7	180	-70	-81.1	0	0	0	113.3	S206 R207	S206-Y209 PolarHBondContact O-N 3.2Å; R207-Y209 PolarHBondContact O-N 3.27Å
210	R	51.4	Low	55.5	Low	111 Å²	111	109.1 Å²	109.1	42%	0.419	58%	0.578	S	S	.	*			trans	-109.7	118.3	-177.6	-158	177.1	-172.1	164.6	5.4	112.1	P200 R207 Q208 L212	P200-R210 VanDerWaalsContact CG-NH2 3.28Å; R207-R210 PolarHBondContact O-N 2.84Å; Q208-R210 VanDerWaalsContact C-N 3.31Å; Q208-R210 PolarHBondContact O-N 3.41Å; R210-L212 PolarHBondContact O-N 3.36Å; R210-L212 VanDerWaalsContact O-N 3.14Å
211	S	45.8	Very low	52.8	Low	97 Å²	97	112.5 Å²	112.5	68%	0.678	59%	0.592	S	S	*	*			trans	-63.6	107	155.4	160.9	0	0	0	0	107.9	T213	S211-T213 PolarHBondContact O-N 3.28Å; S211-T213 PolarHBondContact OG-OG1 2.82Å
212	L	52.4	Low	50.5	Low	140 Å²	140	115.2 Å²	115.2	73%	0.733	61%	0.613	S	S	*	*			trans	-86.6	13.7	177.2	-89.5	164.2	0	0	0	112.9	R210 V214	R210-L212 PolarHBondContact O-N 3.36Å; R210-L212 VanDerWaalsContact O-N 3.14Å; L212-V214 VanDerWaalsContact C-N 3.3Å; L212-V214 PolarHBondContact O-N 3.07Å
213	T	39.4	Very low	48.3	Very low	113 Å²	113	119.8 Å²	119.8	69%	0.693	64%	0.64	S	S	*	*			trans	-81.2	81.4	177.9	44.8	0	0	0	0	110.1	S211	S211-T213 PolarHBondContact O-N 3.28Å; S211-T213 PolarHBondContact OG-OG1 2.82Å
214	V	47.6	Very low	46.2	Very low	122 Å²	122	129.2 Å²	129.2	74%	0.739	67%	0.673	S	S	*	*			trans	-80.7	114.9	141	-169.3	0	0	0	0	104.2	L212 I216	L212-V214 VanDerWaalsContact C-N 3.3Å; L212-V214 PolarHBondContact O-N 3.07Å; V214-I216 PolarHBondContact O-N 3.16Å
215	P	43.1	Very low	44.3	Very low	111 Å²	111	128.4 Å²	128.4	72%	0.721	67%	0.67	S	S	*	*			trans	-61.3	108.2	169.1	-2.1	15.3	0	0	0	105.5	D217	P215-D217 VanDerWaalsContact C-N 3.27Å; P215-D217 PolarHBondContact O-N 3.34Å
216	I	43.8	Very low	42.5	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	68%	0.681	S	S	*	*			trans	-63	106.8	160	-64.3	171.9	0	0	0	103.2	V214 N218	V214-I216 PolarHBondContact O-N 3.16Å; I216-N218 VanDerWaalsContact C-N 3.27Å; I216-N218 PolarHBondContact O-N 3.23Å
217	D	38.4	Very low	40.7	Very low	92 Å²	92	138.2 Å²	138.2	49%	0.492	70%	0.7	S	S	.	*			trans	-64.1	94	178.8	-169.8	2.6	0	0	0	108	P215 S219 L220	P215-D217 VanDerWaalsContact C-N 3.27Å; P215-D217 PolarHBondContact O-N 3.34Å; D217-S219 PolarHBondContact O-N 3.1Å; D217-S219 WeakPolarHBondContact OD1-CB 3.23Å; D217-S219 PolarHBondContact OD1-N 3.42Å; D217-S219 VanDerWaalsContact OD1-N 3.09Å; D217-S219 PolarHBondContact OD1-OG 3.43Å; D217-S219 PolarHBondContact OD2-OG 3.26Å; D217-L220 PolarHBondContact O-N 2.85Å; D217-L220 VanDerWaalsContact O-N 3.07Å
218	N	38.9	Very low	39.4	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-59.6	-2.8	172.7	-87	-12	0	0	0	112.1	I216 L220	I216-N218 VanDerWaalsContact C-N 3.27Å; I216-N218 PolarHBondContact O-N 3.23Å; N218-L220 VanDerWaalsContact C-N 3.28Å
219	S	37.4	Very low	38.3	Very low	87 Å²	87	138.1 Å²	138.1	61%	0.608	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-75.3	-11.8	170.2	84	0	0	0	0	114.1	D217	D217-S219 PolarHBondContact O-N 3.1Å; D217-S219 WeakPolarHBondContact OD1-CB 3.23Å; D217-S219 PolarHBondContact OD1-N 3.42Å; D217-S219 VanDerWaalsContact OD1-N 3.09Å; D217-S219 PolarHBondContact OD1-OG 3.43Å; D217-S219 PolarHBondContact OD2-OG 3.26Å
220	L	36.1	Very low	37.2	Very low	100 Å²	100	134.5 Å²	134.5	52%	0.524	71%	0.71	S	S	.	*	G	3₁₀ helix	trans	-90.1	9.8	175.2	-74.4	166.4	0	0	0	114.7	D217 N218 P222	D217-L220 PolarHBondContact O-N 2.85Å; D217-L220 VanDerWaalsContact O-N 3.07Å; N218-L220 VanDerWaalsContact C-N 3.28Å; L220-P222 WeakPolarHBondContact O-CD 3.41Å
221	L	30.6	Very low	36.9	Very low	134 Å²	134	141.8 Å²	141.8	70%	0.702	75%	0.748	S	S	*	*	S	Bend	trans	-83.9	95.6	157.3	-80	163.7	0	0	0	107.7	V223	L221-V223 PolarHBondContact O-N 3.34Å
222	P	31.5	Very low	36.4	Very low	104 Å²	104	144 Å²	144	68%	0.675	75%	0.752	S	S	*	*			trans	-64	111.4	168.7	27.7	-32.3	0	0	0	107.1	L220 R224	L220-P222 WeakPolarHBondContact O-CD 3.41Å; P222-R224 VanDerWaalsContact C-N 3.32Å; P222-R224 PolarHBondContact O-N 2.66Å
223	V	28.5	Very low	35.6	Very low	144 Å²	144	144.2 Å²	144.2	87%	0.873	75%	0.753	S	S	*	*			trans	-1.4	86.1	137.6	-176.4	0	0	0	0	111.5	L221	L221-V223 PolarHBondContact O-N 3.34Å
224	R	30.8	Very low	35.4	Very low	214 Å²	214	145.9 Å²	145.9	81%	0.808	76%	0.756	S	S	*	*			trans	-131.9	92.2	162.3	-91	-164.1	172.6	-159.5	1	109.4	P222	P222-R224 VanDerWaalsContact C-N 3.32Å; P222-R224 PolarHBondContact O-N 2.66Å
225	R	30.6	Very low	34.7	Very low	192 Å²	192	147.4 Å²	147.4	73%	0.725	76%	0.757	S	S	*	*			trans	76.9	87.3	139.3	-64.5	-178.1	173.6	-176.2	-3.7	116.5	Y227	R225-Y227 VanDerWaalsContact C-N 3.33Å; R225-Y227 PolarHBondContact O-N 2.93Å
226	S	26.9	Very low	34.1	Very low	118 Å²	118	149.6 Å²	149.6	83%	0.825	76%	0.759	S	S	*	*				-22.3	93.4	117	50.2	0	0	0	0	113.4
227	Y	28.3	Very low	33.5	Very low	203 Å²	203	149.9 Å²	149.9	80%	0.796	76%	0.76	S	S	*	*			trans	-158.6	81.3	155.3	-98.1	-78.8	0	0	0	108.3	R225	R225-Y227 VanDerWaalsContact C-N 3.33Å; R225-Y227 PolarHBondContact O-N 2.93Å
228	R	32.2	Very low	33.1	Very low	251 Å²	251	154 Å²	154	95%	0.947	78%	0.779	S	S	*	*			trans	-129.6	110.4	142.5	-99.9	-171.5	179.3	-176	0.2	107.1
229	A	36.1	Very low	32.7	Very low	87 Å²	87	156 Å²	156	72%	0.719	79%	0.786	S	S	*	*			trans	-61.7	142.1	-176.3	0	0	0	0	0	111.2	H231	A229-H231 PolarHBondContact O-N 3.37Å
230	T	30.8	Very low	32.3	Very low	131 Å²	131	161.8 Å²	161.8	80%	0.804	80%	0.801	S	S	*	*			trans	-47	118.4	143.3	43	0	0	0	0	110.4
231	H	45.3	Very low	32	Very low	263 Å²	263	167.4 Å²	167.4	100%	1.218	83%	0.826	S	S	*	*			trans	-165.2	0	140.3	-94.4	-57.2	0	0	0	108.8	A229	A229-H231 PolarHBondContact O-N 3.37Å

Retrieved 231 of 231 residues in 437 ms (Link to these results)

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