A0A087Y2I6_POEFO Loading...

MTOR-associated protein MEAK7

AlphaFold DB , UniProt , Accession A0A087Y2I6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 464 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	43.3	Very low	36.1	Very low	218 Å²	218	116.5 Å²	116.5	100%	1.074	65%	0.653	S	S	*	*				0	-29.8	0	-73.1	-178.7	-162.6	0	0	114.6
2	K	36.7	Very low	35.9	Very low	193 Å²	193	117.1 Å²	117.1	84%	0.839	65%	0.651	S	S	*	*	H	α-helix	trans	-71.8	-26.7	175.9	-85.4	177.9	173.7	177.4	0	115.3
3	C	36.4	Very low	35.7	Very low	113 Å²	113	120.2 Å²	120.2	76%	0.764	66%	0.661	S	S	*	*	H	α-helix	trans	-77.3	-26.7	177.2	-63.5	0	0	0	0	114.3	A7	C3-A7 PolarHBondContact O-N 3.34Å
4	C	36.9	Very low	35.4	Very low	94 Å²	94	115.8 Å²	115.8	64%	0.635	66%	0.656	S	S	*	*	H	α-helix	trans	-75.6	-31.1	176	-71.8	0	0	0	0	112.5	A7 V8	C4-A7 PolarHBondContact O-N 2.82Å; C4-V8 WeakPolarHBondContact O-CG2 3.42Å; C4-V8 PolarHBondContact O-N 3.35Å
5	L	34.7	Very low	35.9	Very low	121 Å²	121	114.9 Å²	114.9	63%	0.634	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-33.5	178.3	-133.9	84.9	0	0	0	112.2	L9	L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.21Å; L5-L9 PolarHBondContact O-N 2.98Å
6	V	38	Very low	36.7	Very low	77 Å²	77	114.8 Å²	114.8	47%	0.467	66%	0.658	S	S	.	*	H	α-helix	trans	-71.5	-36.3	175.3	178	0	0	0	0	111	L9 Q10	V6-L9 PolarHBondContact O-N 2.8Å; V6-Q10 HydrophobicContact CG1-CG 4.27Å; V6-Q10 WeakPolarHBondContact O-CB 3.35Å; V6-Q10 VanDerWaalsContact O-CG 3.24Å; V6-Q10 WeakPolarHBondContact O-CG 3.5Å; V6-Q10 PolarHBondContact O-N 3.49Å
7	A	36.7	Very low	37.8	Very low	55 Å²	55	110.4 Å²	110.4	46%	0.455	63%	0.632	S	S	.	*	H	α-helix	trans	-69	-35.1	174.5	0	0	0	0	0	113	C3 C4 S11	C3-A7 PolarHBondContact O-N 3.34Å; C4-A7 PolarHBondContact O-N 2.82Å; A7-S11 WeakPolarHBondContact O-CB 3.33Å; A7-S11 PolarHBondContact O-N 2.94Å
8	V	37.5	Very low	39.8	Very low	88 Å²	88	105.8 Å²	105.8	53%	0.533	61%	0.607	S	S	.	*	H	α-helix	trans	-74	-37.5	174.9	174.7	0	0	0	0	111.4	C4 S11 I12	C4-V8 WeakPolarHBondContact O-CG2 3.42Å; C4-V8 PolarHBondContact O-N 3.35Å; V8-S11 PolarHBondContact O-N 3.07Å; V8-I12 HydrophobicContact CG1-CD1 4.11Å; V8-I12 WeakPolarHBondContact O-CD1 3.36Å; V8-I12 VanDerWaalsContact O-CG1 3.27Å; V8-I12 WeakPolarHBondContact O-CG1 3.26Å; V8-I12 PolarHBondContact O-N 3.46Å; V8-I12 VanDerWaalsContact O-N 3.08Å
9	L	31.4	Very low	42	Very low	94 Å²	94	105.3 Å²	105.3	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-71.7	-34.8	173.8	-77	161.2	0	0	0	112.6	L5 V6 S11 I12 M13	L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.21Å; L5-L9 PolarHBondContact O-N 2.98Å; V6-L9 PolarHBondContact O-N 2.8Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-I12 PolarHBondContact O-N 3.41Å; L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.44Å; L9-M13 PolarHBondContact O-N 3.46Å
10	Q	33.8	Very low	44.2	Very low	134 Å²	134	102.7 Å²	102.7	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-70.1	-27.1	171.4	-77	175.8	-30.5	0	0	112.6	V6	V6-Q10 HydrophobicContact CG1-CG 4.27Å; V6-Q10 WeakPolarHBondContact O-CB 3.35Å; V6-Q10 VanDerWaalsContact O-CG 3.24Å; V6-Q10 WeakPolarHBondContact O-CG 3.5Å; V6-Q10 PolarHBondContact O-N 3.49Å
11	S	32	Very low	46.2	Very low	95 Å²	95	97.9 Å²	97.9	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-76	-22.1	170.6	-172.8	0	0	0	0	113.1	A7 V8 L9	A7-S11 WeakPolarHBondContact O-CB 3.33Å; A7-S11 PolarHBondContact O-N 2.94Å; V8-S11 PolarHBondContact O-N 3.07Å; L9-S11 VanDerWaalsContact C-N 3.31Å
12	I	33	Very low	48.3	Very low	123 Å²	123	91 Å²	91	63%	0.631	53%	0.527	S	S	*	.	H	α-helix	trans	-87.1	-24.6	173.9	-65.5	164.5	0	0	0	111.1	V8 L9 G14	V8-I12 HydrophobicContact CG1-CD1 4.11Å; V8-I12 WeakPolarHBondContact O-CD1 3.36Å; V8-I12 VanDerWaalsContact O-CG1 3.27Å; V8-I12 WeakPolarHBondContact O-CG1 3.26Å; V8-I12 PolarHBondContact O-N 3.46Å; V8-I12 VanDerWaalsContact O-N 3.08Å; L9-I12 PolarHBondContact O-N 3.41Å; I12-G14 VanDerWaalsContact C-N 3.26Å; I12-G14 PolarHBondContact O-N 3.26Å
13	M	33.1	Very low	50.8	Low	158 Å²	158	88.2 Å²	88.2	78%	0.778	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.9	173.1	-69.7	174.5	64	0	0	114.1	L9	L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.44Å; L9-M13 PolarHBondContact O-N 3.46Å
14	G	31.5	Very low	53.5	Low	58 Å²	58	84.1 Å²	84.1	60%	0.598	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.7	-175.4	0	0	0	0	0	116	I12	I12-G14 VanDerWaalsContact C-N 3.26Å; I12-G14 PolarHBondContact O-N 3.26Å
15	N	43.3	Very low	56	Low	103 Å²	103	81.2 Å²	81.2	55%	0.551	46%	0.46	S	S	*	.			trans	-115.3	77.3	179.5	-146.6	30.2	0	0	0	109.8	D17 Q22	N15-D17 PolarHBondContact O-N 3.38Å; N15-Q22 PolarHBondContact ND2-NE2 3.19Å; N15-Q22 VanDerWaalsContact ND2-NE2 3.13Å
16	S	48.7	Very low	58.7	Low	112 Å²	112	78.8 Å²	78.8	78%	0.783	46%	0.458	S	S	*	.			trans	-82.9	18	179.8	61.7	0	0	0	0	113.3	S18	S16-S18 PolarHBondContact O-N 2.99Å
17	D	55.4	Low	61.3	Low	41 Å²	41	78.6 Å²	78.6	22%	0.219	45%	0.449	C	S	.	.			trans	-72.1	128.6	175.6	-63	3.7	0	0	0	108.4	N15 V21 Q22	N15-D17 PolarHBondContact O-N 3.38Å; D17-V21 HydrophobicContact CB-CB 4.48Å; D17-V21 HydrophobicContact CB-CG1 4.37Å; D17-Q22 HydrophobicContact CB-CG 3.9Å; D17-Q22 PolarHBondContact O-NE2 3.4Å
18	S	74.8	Confident	63.9	Low	27 Å²	27	76.1 Å²	76.1	19%	0.189	43%	0.428	C	S	.	.			trans	-52.2	144.9	175.8	167.7	0	0	0	0	111.1	S16 M20 V21 Q22 P82 G83	S16-S18 PolarHBondContact O-N 2.99Å; S18-M20 PolarHBondContact O-N 3.11Å; S18-M20 PolarHBondContact OG-N 3.06Å; S18-V21 WeakPolarHBondContact O-CA 3.32Å; S18-V21 WeakPolarHBondContact O-CB 3.42Å; S18-V21 PolarHBondContact O-N 3.35Å; S18-Q22 PolarHBondContact O-N 2.73Å; S18-P82 VanDerWaalsContact CB-C 3.49Å; S18-P82 WeakPolarHBondContact CB-O 3.41Å; S18-G83 PolarHBondContact OG-N 3.01Å
19	V	81.8	Confident	66.4	Low	97 Å²	97	79 Å²	79	59%	0.588	43%	0.429	S	S	*	.	H	α-helix	trans	-52.1	-33.2	176.8	175.9	0	0	0	0	111.3	K23	V19-K23 HydrophobicContact CG1-CD 4.4Å; V19-K23 WeakPolarHBondContact O-CG 3.45Å; V19-K23 PolarHBondContact O-N 3.1Å; V19-K23 VanDerWaalsContact O-N 3.09Å
20	M	84.9	Confident	69.2	Low	53 Å²	53	78.9 Å²	78.9	26%	0.261	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-50.9	173.9	179.9	174.1	64.5	0	0	111.5	S18 Q22 K23 R24 I80 E81 P82 V103	S18-M20 PolarHBondContact O-N 3.11Å; S18-M20 PolarHBondContact OG-N 3.06Å; M20-Q22 VanDerWaalsContact C-N 3.31Å; M20-Q22 PolarHBondContact O-N 2.9Å; M20-K23 PolarHBondContact O-N 2.97Å; M20-K23 VanDerWaalsContact O-N 3.16Å; M20-R24 HydrophobicContact CG-CG 4.45Å; M20-R24 WeakPolarHBondContact O-CG 3.37Å; M20-R24 PolarHBondContact O-N 3.49Å; M20-I80 HydrophobicContact CE-CG2 3.98Å; M20-E81 WeakPolarHBondContact CE-O 3.48Å; M20-P82 HydrophobicContact CE-CB 4.24Å; M20-V103 HydrophobicContact CE-CG1 4.21Å; M20-V103 HydrophobicContact CE-CG2 4.32Å; M20-V103 HydrophobicContact SD-CG1 4.2Å
21	V	86.6	Confident	71.9	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.006	43%	0.426	C	S	.	.	H	α-helix	trans	-59.2	-45.1	-179.2	177.4	0	0	0	0	110	D17 S18 K23 R24 M25 P82 E99 V103	D17-V21 HydrophobicContact CB-CB 4.48Å; D17-V21 HydrophobicContact CB-CG1 4.37Å; S18-V21 WeakPolarHBondContact O-CA 3.32Å; S18-V21 WeakPolarHBondContact O-CB 3.42Å; S18-V21 PolarHBondContact O-N 3.35Å; V21-K23 PolarHBondContact O-N 3.43Å; V21-R24 PolarHBondContact O-N 3.23Å; V21-M25 HydrophobicContact CG1-CG 4.22Å; V21-M25 HydrophobicContact CG1-SD 3.8Å; V21-M25 VanDerWaalsContact O-CB 3.27Å; V21-M25 WeakPolarHBondContact O-CB 3.29Å; V21-M25 WeakPolarHBondContact O-CG 3.48Å; V21-M25 PolarHBondContact O-N 3.35Å; V21-P82 HydrophobicContact CG2-CB 3.49Å; V21-P82 VanDerWaalsContact CG2-CB 3.49Å; V21-E99 HydrophobicContact CG1-CB 4.2Å; V21-E99 HydrophobicContact CG1-CG 4.09Å; V21-E99 HydrophobicContact CG2-CB 4.07Å; V21-V103 HydrophobicContact CG2-CG2 4Å
22	Q	86.9	Confident	74.7	Confident	75 Å²	75	72.8 Å²	72.8	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.7	-66.2	-176.8	-5.2	0	0	112.7	N15 D17 S18 M20 M25 A26	N15-Q22 PolarHBondContact ND2-NE2 3.19Å; N15-Q22 VanDerWaalsContact ND2-NE2 3.13Å; D17-Q22 HydrophobicContact CB-CG 3.9Å; D17-Q22 PolarHBondContact O-NE2 3.4Å; S18-Q22 PolarHBondContact O-N 2.73Å; M20-Q22 VanDerWaalsContact C-N 3.31Å; M20-Q22 PolarHBondContact O-N 2.9Å; Q22-M25 PolarHBondContact O-N 3.13Å; Q22-A26 WeakPolarHBondContact O-CB 3.27Å; Q22-A26 PolarHBondContact O-N 3.25Å
23	K	90.5	Very high	77.4	Confident	133 Å²	133	70.6 Å²	70.6	58%	0.578	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-41.3	176	-77	179.2	179.1	-177.1	0	112.2	V19 M20 V21	V19-K23 HydrophobicContact CG1-CD 4.4Å; V19-K23 WeakPolarHBondContact O-CG 3.45Å; V19-K23 PolarHBondContact O-N 3.1Å; V19-K23 VanDerWaalsContact O-N 3.09Å; M20-K23 PolarHBondContact O-N 2.97Å; M20-K23 VanDerWaalsContact O-N 3.16Å; V21-K23 PolarHBondContact O-N 3.43Å
24	R	92.5	Very high	80.2	Confident	28 Å²	28	66.9 Å²	66.9	11%	0.106	37%	0.369	C	S	.	.	H	α-helix	trans	-70.3	-42.4	177.3	-66	-45	-173.1	-119.8	-2.9	112.3	M20 V21 A26 R27 V103 A106 D107 E115	M20-R24 HydrophobicContact CG-CG 4.45Å; M20-R24 WeakPolarHBondContact O-CG 3.37Å; M20-R24 PolarHBondContact O-N 3.49Å; V21-R24 PolarHBondContact O-N 3.23Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.98Å; R24-R27 VanDerWaalsContact O-CB 3.28Å; R24-R27 WeakPolarHBondContact O-CB 3.5Å; R24-R27 PolarHBondContact O-N 3.41Å; R24-V103 HydrophobicContact CB-CG2 4.24Å; R24-V103 HydrophobicContact CG-CB 4.35Å; R24-V103 HydrophobicContact CG-CG1 4.16Å; R24-V103 HydrophobicContact CG-CG2 4.02Å; R24-A106 HydrophobicContact CB-CB 3.62Å; R24-A106 HydrophobicContact CG-CB 3.94Å; R24-D107 IonicContact CZ-OD1 2.71Å; R24-D107 VanDerWaalsContact CZ-OD1 3.23Å; R24-D107 IonicContact NE-OD1 3.06Å; R24-D107 PolarHBondContact NE-OD1 3.28Å; R24-D107 IonicContact NH2-OD1 2.7Å; R24-D107 PolarHBondContact NH2-OD1 2.97Å; R24-D107 VanDerWaalsContact NH2-OD1 3.14Å; R24-E115 VanDerWaalsContact CZ-CD 3.45Å; R24-E115 IonicContact CZ-OE1 2.67Å; R24-E115 IonicContact CZ-OE2 2.75Å; R24-E115 IonicContact NH1-OE1 3.24Å; R24-E115 PolarHBondContact NH1-OE1 3.26Å; R24-E115 VanDerWaalsContact NH2-CG 3.26Å; R24-E115 IonicContact NH2-OE1 3.19Å; R24-E115 PolarHBondContact NH2-OE1 2.96Å; R24-E115 IonicContact NH2-OE2 2.61Å
25	M	89.3	Confident	83	Confident	32 Å²	32	66.3 Å²	66.3	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-54.9	-41.8	172.6	-82	-179.9	84.3	0	0	112.7	V21 Q22 R27 F28 R33 M102	V21-M25 HydrophobicContact CG1-CG 4.22Å; V21-M25 HydrophobicContact CG1-SD 3.8Å; V21-M25 VanDerWaalsContact O-CB 3.27Å; V21-M25 WeakPolarHBondContact O-CB 3.29Å; V21-M25 WeakPolarHBondContact O-CG 3.48Å; V21-M25 PolarHBondContact O-N 3.35Å; Q22-M25 PolarHBondContact O-N 3.13Å; M25-R27 PolarHBondContact O-N 3.27Å; M25-F28 PolarHBondContact O-N 3.45Å; M25-R33 PolarHBondContact O-NE 3.22Å; M25-R33 VanDerWaalsContact O-NE 3.15Å; M25-R33 PolarHBondContact O-NH2 3.39Å; M25-M102 HydrophobicContact CB-SD 4.35Å; M25-M102 HydrophobicContact CE-SD 4.2Å; M25-M102 HydrophobicContact CG-CG 4.19Å; M25-M102 HydrophobicContact CG-SD 3.15Å; M25-M102 WeakPolarHBondContact CG-SD 3.45Å; M25-M102 HydrophobicContact SD-SD 3.98Å
26	A	91.6	Very high	85.3	Confident	71 Å²	71	61.4 Å²	61.4	59%	0.587	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.1	179.2	0	0	0	0	0	113.1	Q22 R24 F28	Q22-A26 WeakPolarHBondContact O-CB 3.27Å; Q22-A26 PolarHBondContact O-N 3.25Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.98Å; A26-F28 VanDerWaalsContact C-N 3.27Å; A26-F28 PolarHBondContact O-N 2.68Å
27	R	91.3	Very high	87.3	Confident	73 Å²	73	58.2 Å²	58.2	28%	0.275	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.9	174.9	-60.8	-178.7	177.1	171.4	-3.7	112.7	R24 M25 D107 R110 E115	R24-R27 VanDerWaalsContact O-CB 3.28Å; R24-R27 WeakPolarHBondContact O-CB 3.5Å; R24-R27 PolarHBondContact O-N 3.41Å; M25-R27 PolarHBondContact O-N 3.27Å; R27-D107 IonicContact NH1-OD1 3.13Å; R27-R110 PolarHBondContact O-NH1 3.1Å; R27-E115 IonicContact CZ-OE1 3.84Å; R27-E115 IonicContact CZ-OE2 2.8Å; R27-E115 VanDerWaalsContact CZ-OE2 3.26Å; R27-E115 IonicContact NH1-OE1 3.3Å; R27-E115 IonicContact NH1-OE2 3.54Å; R27-E115 PolarHBondContact NH1-OE2 3.3Å; R27-E115 IonicContact NH2-OE1 2.7Å; R27-E115 PolarHBondContact NH2-OE1 3.02Å; R27-E115 IonicContact NH2-OE2 3.64Å; R27-E115 PolarHBondContact NH2-OE2 3.35Å
28	F	91.8	Very high	89	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.013	30%	0.303	C	S	.	.	S	Bend	trans	-102	138.3	-179.5	-61.5	-65	0	0	0	111.6	M25 A26 E32 R33 I36 L105 A106 L225	M25-F28 PolarHBondContact O-N 3.45Å; A26-F28 VanDerWaalsContact C-N 3.27Å; A26-F28 PolarHBondContact O-N 2.68Å; F28-E32 WeakPolarHBondContact CA-OE2 3.03Å; F28-E32 HydrophobicContact CB-CB 4.05Å; F28-E32 HydrophobicContact CD1-CB 4.37Å; F28-R33 HydrophobicContact CB-CG 3.9Å; F28-R33 PolarHBondContact O-NE 2.97Å; F28-R33 PolarHBondContact O-NH2 3.49Å; F28-I36 HydrophobicContact CD1-CD1 4.11Å; F28-I36 HydrophobicContact CD2-CD1 3.56Å; F28-I36 HydrophobicContact CE1-CD1 4.18Å; F28-I36 HydrophobicContact CE2-CD1 3.59Å; F28-I36 HydrophobicContact CG-CD1 3.81Å; F28-I36 HydrophobicContact CZ-CD1 3.91Å; F28-L105 HydrophobicContact CZ-CB 4.2Å; F28-A106 HydrophobicContact CE2-CB 3.65Å; F28-A106 HydrophobicContact CZ-CB 3.97Å; F28-L225 HydrophobicContact CD1-CD1 4.05Å; F28-L225 HydrophobicContact CE1-CD1 3.56Å
29	R	90.9	Very high	89.8	Confident	147 Å²	147	56.2 Å²	56.2	56%	0.555	30%	0.295	S	S	*	.			trans	-67.5	156.2	171.5	-57.4	-175.1	-178.9	177.7	0.1	110.6	E31 E32 R33	R29-E31 HydrophobicContact CB-CG 4.27Å; R29-E31 VanDerWaalsContact CB-OE1 3.25Å; R29-E31 WeakPolarHBondContact CB-OE1 3.35Å; R29-E31 WeakPolarHBondContact CB-OE2 3.39Å; R29-E31 WeakPolarHBondContact CD-OE1 3.45Å; R29-E31 IonicContact NH1-OE1 3.93Å; R29-E31 PolarHBondContact O-N 3.35Å; R29-E32 HydrophobicContact CB-CB 4.5Å; R29-E32 HydrophobicContact CB-CG 4.17Å; R29-E32 PolarHBondContact N-OE2 2.67Å; R29-E32 WeakPolarHBondContact O-CB 3.35Å; R29-E32 PolarHBondContact O-N 3.43Å; R29-R33 WeakPolarHBondContact O-CG 3.29Å; R29-R33 PolarHBondContact O-N 3.08Å
30	P	89.4	Confident	90.3	Very high	93 Å²	93	52.4 Å²	52.4	60%	0.604	27%	0.27	S	S	*	.	H	α-helix	trans	-52.2	-40.4	-179.9	-28	36.5	0	0	0	114.1	R33 S34	P30-R33 WeakPolarHBondContact O-CB 3.4Å; P30-R33 PolarHBondContact O-N 3.2Å; P30-S34 PolarHBondContact O-N 3.21Å
31	E	90	Very high	90.5	Very high	98 Å²	98	57 Å²	57	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-38.9	176.2	62.2	-82.8	-164.9	0	0	112.7	R29 R33 S34 V35	R29-E31 HydrophobicContact CB-CG 4.27Å; R29-E31 VanDerWaalsContact CB-OE1 3.25Å; R29-E31 WeakPolarHBondContact CB-OE1 3.35Å; R29-E31 WeakPolarHBondContact CB-OE2 3.39Å; R29-E31 WeakPolarHBondContact CD-OE1 3.45Å; R29-E31 IonicContact NH1-OE1 3.93Å; R29-E31 PolarHBondContact O-N 3.35Å; E31-R33 VanDerWaalsContact C-N 3.35Å; E31-S34 WeakPolarHBondContact O-CB 3.17Å; E31-S34 PolarHBondContact O-N 3.02Å; E31-V35 PolarHBondContact O-N 3.47Å
32	E	91.6	Very high	90.7	Very high	3 Å²	3	63 Å²	63	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-35.9	176.7	-67.4	178	150.9	0	0	111.5	F28 R29 S34 V35 I36 R110 L225 S226	F28-E32 WeakPolarHBondContact CA-OE2 3.03Å; F28-E32 HydrophobicContact CB-CB 4.05Å; F28-E32 HydrophobicContact CD1-CB 4.37Å; R29-E32 HydrophobicContact CB-CB 4.5Å; R29-E32 HydrophobicContact CB-CG 4.17Å; R29-E32 PolarHBondContact N-OE2 2.67Å; R29-E32 WeakPolarHBondContact O-CB 3.35Å; R29-E32 PolarHBondContact O-N 3.43Å; E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.46Å; E32-V35 WeakPolarHBondContact O-CB 3.36Å; E32-V35 PolarHBondContact O-N 2.85Å; E32-V35 VanDerWaalsContact O-N 3.13Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.8Å; E32-R110 VanDerWaalsContact CD-NH2 3.3Å; E32-R110 IonicContact OE1-CZ 3.22Å; E32-R110 IonicContact OE1-NH1 2.71Å; E32-R110 IonicContact OE1-NH2 2.68Å; E32-R110 PolarHBondContact OE1-NH2 3.27Å; E32-R110 IonicContact OE2-CZ 2.91Å; E32-R110 IonicContact OE2-NH1 3.31Å; E32-R110 PolarHBondContact OE2-NH1 3.49Å; E32-R110 IonicContact OE2-NH2 2.67Å; E32-R110 PolarHBondContact OE2-NH2 3.13Å; E32-L225 HydrophobicContact CB-CD2 3.92Å; E32-L225 HydrophobicContact CG-CB 4.45Å; E32-L225 HydrophobicContact CG-CD2 4.05Å; E32-S226 PolarHBondContact OE1-N 3.34Å; E32-S226 VanDerWaalsContact OE1-O 3.08Å; E32-S226 PolarHBondContact OE1-OG 2.87Å
33	R	90.6	Very high	90.8	Very high	76 Å²	76	59.9 Å²	59.9	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-36.8	174.7	-62.8	171.9	-163.6	174	4.2	111.4	M25 F28 R29 P30 E31 V35 I36 D37 M102	M25-R33 PolarHBondContact O-NE 3.22Å; M25-R33 VanDerWaalsContact O-NE 3.15Å; M25-R33 PolarHBondContact O-NH2 3.39Å; F28-R33 HydrophobicContact CB-CG 3.9Å; F28-R33 PolarHBondContact O-NE 2.97Å; F28-R33 PolarHBondContact O-NH2 3.49Å; R29-R33 WeakPolarHBondContact O-CG 3.29Å; R29-R33 PolarHBondContact O-N 3.08Å; P30-R33 WeakPolarHBondContact O-CB 3.4Å; P30-R33 PolarHBondContact O-N 3.2Å; E31-R33 VanDerWaalsContact C-N 3.35Å; R33-V35 VanDerWaalsContact C-N 3.33Å; R33-I36 PolarHBondContact O-N 3.41Å; R33-D37 VanDerWaalsContact O-CG 3.29Å; R33-D37 PolarHBondContact O-N 3.22Å; R33-M102 HydrophobicContact CB-CE 4.42Å; R33-M102 HydrophobicContact CG-CE 4.43Å
34	S	90.8	Very high	90.6	Very high	81 Å²	81	55.4 Å²	55.4	57%	0.566	28%	0.278	S	S	*	.	H	α-helix	trans	-65.8	-35.9	174.9	-171.1	0	0	0	0	112.3	P30 E31 E32 D37 G38	P30-S34 PolarHBondContact O-N 3.21Å; E31-S34 WeakPolarHBondContact O-CB 3.17Å; E31-S34 PolarHBondContact O-N 3.02Å; E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.46Å; S34-D37 PolarHBondContact O-N 3.46Å; S34-G38 PolarHBondContact O-N 3.03Å
35	V	91.4	Very high	89.4	Confident	45 Å²	45	58.3 Å²	58.3	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-45.4	172.5	177.2	0	0	0	0	110.6	E31 E32 R33 D37 G38 V39 V223	E31-V35 PolarHBondContact O-N 3.47Å; E32-V35 WeakPolarHBondContact O-CB 3.36Å; E32-V35 PolarHBondContact O-N 2.85Å; E32-V35 VanDerWaalsContact O-N 3.13Å; R33-V35 VanDerWaalsContact C-N 3.33Å; V35-D37 VanDerWaalsContact C-N 3.31Å; V35-D37 PolarHBondContact O-N 2.79Å; V35-G38 WeakPolarHBondContact O-CA 3.29Å; V35-G38 PolarHBondContact O-N 2.93Å; V35-G38 VanDerWaalsContact O-N 3.1Å; V35-V39 HydrophobicContact CG1-CG2 4.49Å; V35-V39 VanDerWaalsContact O-CG2 3.29Å; V35-V39 WeakPolarHBondContact O-CG2 3.43Å; V35-V39 PolarHBondContact O-N 3.04Å; V35-V223 HydrophobicContact CG1-CG1 4.41Å
36	I	90.7	Very high	87.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-41.8	177	-63.9	170.2	0	0	0	111	F28 E32 R33 G38 V39 F40 M102 L105	F28-I36 HydrophobicContact CD1-CD1 4.11Å; F28-I36 HydrophobicContact CD2-CD1 3.56Å; F28-I36 HydrophobicContact CE1-CD1 4.18Å; F28-I36 HydrophobicContact CE2-CD1 3.59Å; F28-I36 HydrophobicContact CG-CD1 3.81Å; F28-I36 HydrophobicContact CZ-CD1 3.91Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.8Å; R33-I36 PolarHBondContact O-N 3.41Å; I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 2.9Å; I36-V39 WeakPolarHBondContact O-CB 3.45Å; I36-V39 PolarHBondContact O-N 3.27Å; I36-F40 PolarHBondContact O-N 3.03Å; I36-M102 HydrophobicContact CB-CE 4.11Å; I36-M102 HydrophobicContact CD1-CE 4.03Å; I36-M102 HydrophobicContact CG2-CB 4.43Å; I36-M102 HydrophobicContact CG2-CE 3.76Å; I36-L105 HydrophobicContact CB-CD1 4.31Å; I36-L105 HydrophobicContact CD1-CD1 4.27Å; I36-L105 HydrophobicContact CG1-CD1 3.78Å; I36-L105 HydrophobicContact CG2-CD1 3.82Å
37	D	89.9	Confident	86.1	Confident	45 Å²	45	59.8 Å²	59.8	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-39.4	175.2	-67.8	-18.9	0	0	0	112.2	R33 S34 V35 F40 K41 R98	R33-D37 VanDerWaalsContact O-CG 3.29Å; R33-D37 PolarHBondContact O-N 3.22Å; S34-D37 PolarHBondContact O-N 3.46Å; V35-D37 VanDerWaalsContact C-N 3.31Å; V35-D37 PolarHBondContact O-N 2.79Å; D37-F40 PolarHBondContact O-N 2.91Å; D37-K41 WeakPolarHBondContact O-CG 3.15Å; D37-K41 PolarHBondContact O-N 3Å; D37-R98 IonicContact OD1-CZ 3.24Å; D37-R98 IonicContact OD1-NE 3.23Å; D37-R98 PolarHBondContact OD1-NE 2.8Å; D37-R98 IonicContact OD1-NH2 3.78Å; D37-R98 PolarHBondContact OD1-NH2 3.01Å; D37-R98 IonicContact OD2-NH2 3.73Å; D37-R98 PolarHBondContact OD2-NH2 3.23Å
38	G	91.2	Very high	84.4	Confident	25 Å²	25	62.8 Å²	62.8	26%	0.258	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-45.1	172.9	0	0	0	0	0	111.9	S34 V35 I36 K41 R42	S34-G38 PolarHBondContact O-N 3.03Å; V35-G38 WeakPolarHBondContact O-CA 3.29Å; V35-G38 PolarHBondContact O-N 2.93Å; V35-G38 VanDerWaalsContact O-N 3.1Å; I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 2.9Å; G38-K41 PolarHBondContact O-N 3.46Å; G38-R42 WeakPolarHBondContact O-CG 3.38Å; G38-R42 PolarHBondContact O-N 3.02Å
39	V	92.1	Very high	83	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-50.7	176.7	176.2	0	0	0	0	110.1	V35 I36 K41 R42 L43 L101 L221 V223	V35-V39 HydrophobicContact CG1-CG2 4.49Å; V35-V39 VanDerWaalsContact O-CG2 3.29Å; V35-V39 WeakPolarHBondContact O-CG2 3.43Å; V35-V39 PolarHBondContact O-N 3.04Å; I36-V39 WeakPolarHBondContact O-CB 3.45Å; I36-V39 PolarHBondContact O-N 3.27Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 2.87Å; V39-R42 VanDerWaalsContact CG2-NH2 3.33Å; V39-R42 PolarHBondContact O-N 3.15Å; V39-R42 VanDerWaalsContact O-N 3.11Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.35Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.7Å; V39-L101 HydrophobicContact CG1-CD2 4.28Å; V39-L221 HydrophobicContact CG1-CB 4.22Å; V39-V223 HydrophobicContact CG2-CG2 3.91Å
40	F	91.9	Very high	82.4	Confident	16 Å²	16	66 Å²	66	7%	0.07	39%	0.387	C	S	.	.	H	α-helix	trans	-56	-47.3	179	-172.1	-104.2	0	0	0	111.9	I36 D37 R42 L43 Q44 L52 R98 L101	I36-F40 PolarHBondContact O-N 3.03Å; D37-F40 PolarHBondContact O-N 2.91Å; F40-R42 VanDerWaalsContact C-N 3.33Å; F40-R42 PolarHBondContact O-N 2.94Å; F40-L43 PolarHBondContact O-N 3.01Å; F40-Q44 HydrophobicContact CE1-CG 4.29Å; F40-Q44 WeakPolarHBondContact O-CG 3.38Å; F40-Q44 PolarHBondContact O-N 2.96Å; F40-L52 HydrophobicContact CD2-CD1 4.18Å; F40-L52 HydrophobicContact CD2-CD2 3.9Å; F40-L52 HydrophobicContact CD2-CG 4.1Å; F40-L52 HydrophobicContact CE2-CD1 4.13Å; F40-L52 HydrophobicContact CE2-CD2 3.72Å; F40-L52 HydrophobicContact CE2-CG 3.66Å; F40-L52 HydrophobicContact CZ-CD2 4.34Å; F40-L52 HydrophobicContact CZ-CG 4.5Å; F40-R98 HydrophobicContact CD1-CB 4.05Å; F40-R98 HydrophobicContact CD1-CG 4.34Å; F40-R98 HydrophobicContact CD2-CB 4.09Å; F40-R98 HydrophobicContact CE1-CB 3.9Å; F40-R98 VanDerWaalsContact CE2-CA 3.44Å; F40-R98 HydrophobicContact CE2-CB 3.98Å; F40-R98 HydrophobicContact CG-CB 4.12Å; F40-R98 HydrophobicContact CG-CG 4.27Å; F40-R98 HydrophobicContact CZ-CB 3.88Å; F40-L101 HydrophobicContact CB-CD2 3.81Å; F40-L101 HydrophobicContact CD2-CB 4.29Å; F40-L101 HydrophobicContact CD2-CD2 3.76Å; F40-L101 HydrophobicContact CG-CD2 4.29Å
41	K	90.3	Very high	82.3	Confident	149 Å²	149	62.7 Å²	62.7	65%	0.648	37%	0.365	S	S	*	.	H	α-helix	trans	-61.9	-37.3	177.6	-73.1	174	-177.5	176.3	0	113	D37 G38 V39 Q44	D37-K41 WeakPolarHBondContact O-CG 3.15Å; D37-K41 PolarHBondContact O-N 3Å; G38-K41 PolarHBondContact O-N 3.46Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 2.87Å; K41-Q44 PolarHBondContact O-N 3.13Å
42	R	90.7	Very high	82.3	Confident	128 Å²	128	58.1 Å²	58.1	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-38.4	176.3	-73.4	-167.9	-52.7	-104.3	12.5	112.3	G38 V39 F40 Q44 L221 D222	G38-R42 WeakPolarHBondContact O-CG 3.38Å; G38-R42 PolarHBondContact O-N 3.02Å; V39-R42 VanDerWaalsContact CG2-NH2 3.33Å; V39-R42 PolarHBondContact O-N 3.15Å; V39-R42 VanDerWaalsContact O-N 3.11Å; F40-R42 VanDerWaalsContact C-N 3.33Å; F40-R42 PolarHBondContact O-N 2.94Å; R42-Q44 PolarHBondContact O-N 3.32Å; R42-L221 PolarHBondContact NH2-O 2.59Å; R42-D222 PolarHBondContact NH2-O 3.48Å
43	L	88.5	Confident	82.3	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-74.7	-13.3	-179.1	-64.5	178	0	0	0	113.2	V39 F40 L52 A56 L57 L101 L221	V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.35Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.7Å; F40-L43 PolarHBondContact O-N 3.01Å; L43-L52 HydrophobicContact CB-CD1 4.46Å; L43-L52 HydrophobicContact CB-CD2 3.64Å; L43-L52 HydrophobicContact CD1-CD1 4.1Å; L43-A56 WeakPolarHBondContact O-CB 3.49Å; L43-L57 HydrophobicContact CD1-CD1 3.94Å; L43-L57 HydrophobicContact CD2-CD1 3.96Å; L43-L57 HydrophobicContact CG-CD1 4.45Å; L43-L101 HydrophobicContact CD1-CD2 4.41Å; L43-L221 HydrophobicContact CD1-CD2 3.92Å; L43-L221 HydrophobicContact CD2-CD2 4.04Å
44	Q	86	Confident	82.3	Confident	39 Å²	39	60 Å²	60	18%	0.182	36%	0.356	C	S	.	.			trans	-83.4	117.1	174.5	-71.8	-175	-33.7	0	0	111	F40 K41 R42 G49 L52	F40-Q44 HydrophobicContact CE1-CG 4.29Å; F40-Q44 WeakPolarHBondContact O-CG 3.38Å; F40-Q44 PolarHBondContact O-N 2.96Å; K41-Q44 PolarHBondContact O-N 3.13Å; R42-Q44 PolarHBondContact O-N 3.32Å; Q44-G49 VanDerWaalsContact NE2-C 3.28Å; Q44-G49 PolarHBondContact NE2-O 2.86Å; Q44-L52 HydrophobicContact CG-CD2 3.82Å
45	T	67.4	Low	82.3	Confident	90 Å²	90	62.1 Å²	62.1	55%	0.552	36%	0.357	S	S	*	.			trans	-93.3	111.5	169.6	55.4	0	0	0	0	110	A56	T45-A56 HydrophobicContact CG2-CB 3.73Å; T45-A56 VanDerWaalsContact OG1-CB 3.26Å; T45-A56 WeakPolarHBondContact OG1-CB 3.43Å
46	G	57.3	Low	82.3	Confident	75 Å²	75	60 Å²	60	77%	0.773	35%	0.345	S	S	*	.	S	Bend	trans	89.3	100.1	169.1	0	0	0	0	0	115.7
47	G	55.2	Low	82.3	Confident	58 Å²	58	60.1 Å²	60.1	60%	0.598	35%	0.346	S	S	*	.	S	Bend	trans	71.7	176.5	169.4	0	0	0	0	0	115.4	G49	G47-G49 PolarHBondContact O-N 3.11Å
48	P	54.8	Low	82.5	Confident	137 Å²	137	60.5 Å²	60.5	89%	0.89	35%	0.346	S	S	*	.	S	Bend	trans	-73.8	72.9	177	31.7	-33.5	0	0	0	110.3
49	G	61.9	Low	82.5	Confident	38 Å²	38	63 Å²	63	39%	0.392	37%	0.365	S	S	.	.			trans	-68.2	156	168.7	0	0	0	0	0	111.1	Q44 G47	Q44-G49 VanDerWaalsContact NE2-C 3.28Å; Q44-G49 PolarHBondContact NE2-O 2.86Å; G47-G49 PolarHBondContact O-N 3.11Å
50	K	78.5	Confident	82.4	Confident	178 Å²	178	65.6 Å²	65.6	77%	0.774	38%	0.383	S	S	*	.	S	Bend	trans	-94.5	-12	171.8	-68.2	-172.6	178.8	-175.7	0	113.1	D97	K50-D97 WeakPolarHBondContact O-CB 3.21Å
51	T	87.6	Confident	82.3	Confident	25 Å²	25	65 Å²	65	15%	0.153	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-141.9	157.4	-169.2	54.1	0	0	0	0	112.2	L94 G95 P96 D97	T51-L94 HydrophobicContact CG2-CB 4.11Å; T51-L94 HydrophobicContact CG2-CD2 3.75Å; T51-L94 HydrophobicContact CG2-CG 4.21Å; T51-G95 WeakPolarHBondContact CB-O 3.25Å; T51-G95 WeakPolarHBondContact CG2-O 3.22Å; T51-P96 CarbonylContact C-O 3.51Å; T51-P96 WeakPolarHBondContact CA-O 2.95Å; T51-D97 HydrophobicContact CG2-CB 4.23Å
52	L	89.7	Confident	82.1	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	37%	0.368	C	S	.	.			trans	-87.5	145.7	175	-56.4	177.8	0	0	0	110.3	F40 L43 Q44 G95 P96	F40-L52 HydrophobicContact CD2-CD1 4.18Å; F40-L52 HydrophobicContact CD2-CD2 3.9Å; F40-L52 HydrophobicContact CD2-CG 4.1Å; F40-L52 HydrophobicContact CE2-CD1 4.13Å; F40-L52 HydrophobicContact CE2-CD2 3.72Å; F40-L52 HydrophobicContact CE2-CG 3.66Å; F40-L52 HydrophobicContact CZ-CD2 4.34Å; F40-L52 HydrophobicContact CZ-CG 4.5Å; L43-L52 HydrophobicContact CB-CD1 4.46Å; L43-L52 HydrophobicContact CB-CD2 3.64Å; L43-L52 HydrophobicContact CD1-CD1 4.1Å; Q44-L52 HydrophobicContact CG-CD2 3.82Å; L52-G95 WeakPolarHBondContact O-CA 3.21Å; L52-P96 HydrophobicContact CB-CG 4.09Å; L52-P96 HydrophobicContact CD1-CG 4.44Å; L52-P96 PolarHBondContact N-O 2.83Å; L52-P96 WeakPolarHBondContact O-CD 3.32Å
53	Q	91.1	Very high	82	Confident	87 Å²	87	56.5 Å²	56.5	41%	0.407	37%	0.369	S	S	.	.			trans	-108.6	150	173.1	-58.8	-60.9	-32.1	0	0	109.4	E55 A56 L57	Q53-E55 VanDerWaalsContact C-N 3.29Å; Q53-E55 PolarHBondContact O-N 2.81Å; Q53-A56 HydrophobicContact CB-CB 4.18Å; Q53-A56 WeakPolarHBondContact O-CB 3.37Å; Q53-A56 PolarHBondContact O-N 3.4Å; Q53-L57 PolarHBondContact O-N 3.26Å
54	L	91.9	Very high	82.2	Confident	30 Å²	30	57.8 Å²	57.8	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-41.6	-179.5	174.6	59.8	0	0	0	111	A56 L57 Q58 T71 F74	L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.24Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.99Å; L54-Q58 HydrophobicContact CD1-CG 4.08Å; L54-Q58 HydrophobicContact CG-CG 4.37Å; L54-Q58 WeakPolarHBondContact O-CB 3.42Å; L54-Q58 VanDerWaalsContact O-CG 3.32Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 2.84Å; L54-T71 HydrophobicContact CD2-CG2 4.39Å; L54-F74 HydrophobicContact CB-CD1 4.24Å; L54-F74 HydrophobicContact CB-CD2 4.03Å; L54-F74 HydrophobicContact CB-CE1 4.26Å; L54-F74 HydrophobicContact CB-CE2 4.05Å; L54-F74 HydrophobicContact CB-CG 4.13Å; L54-F74 HydrophobicContact CB-CZ 4.16Å; L54-F74 HydrophobicContact CD1-CB 3.63Å; L54-F74 HydrophobicContact CD1-CD1 4.21Å; L54-F74 HydrophobicContact CD1-CD2 4.25Å; L54-F74 HydrophobicContact CD1-CG 3.78Å; L54-F74 HydrophobicContact CG-CG 4.48Å
55	E	91	Very high	82.7	Confident	126 Å²	126	56 Å²	56	59%	0.589	37%	0.367	S	S	*	.	H	α-helix	trans	-63.6	-38.2	179.4	-60.8	74.4	-163.4	0	0	111.4	Q53 Q58 A59	Q53-E55 VanDerWaalsContact C-N 3.29Å; Q53-E55 PolarHBondContact O-N 2.81Å; E55-Q58 PolarHBondContact O-N 2.86Å; E55-A59 VanDerWaalsContact O-CB 3.29Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 2.86Å
56	A	89.8	Confident	84	Confident	2 Å²	2	52.8 Å²	52.8	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-41.5	177	0	0	0	0	0	111.5	L43 T45 Q53 L54 A59 S60	L43-A56 WeakPolarHBondContact O-CB 3.49Å; T45-A56 HydrophobicContact CG2-CB 3.73Å; T45-A56 VanDerWaalsContact OG1-CB 3.26Å; T45-A56 WeakPolarHBondContact OG1-CB 3.43Å; Q53-A56 HydrophobicContact CB-CB 4.18Å; Q53-A56 WeakPolarHBondContact O-CB 3.37Å; Q53-A56 PolarHBondContact O-N 3.4Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.24Å; A56-A59 PolarHBondContact O-N 2.91Å; A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 3.01Å; A56-S60 PolarHBondContact O-OG 3.3Å
57	L	91.5	Very high	85.9	Confident	3 Å²	3	53 Å²	53	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-47	175.4	-166	71.6	0	0	0	110.6	L43 Q53 L54 A59 S60 L61 V70 F74	L43-L57 HydrophobicContact CD1-CD1 3.94Å; L43-L57 HydrophobicContact CD2-CD1 3.96Å; L43-L57 HydrophobicContact CG-CD1 4.45Å; Q53-L57 PolarHBondContact O-N 3.26Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.99Å; L57-A59 PolarHBondContact O-N 3.05Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-L61 HydrophobicContact CD1-CD1 3.33Å; L57-L61 HydrophobicContact CD2-CD1 4.42Å; L57-L61 HydrophobicContact CG-CD1 3.48Å; L57-L61 VanDerWaalsContact CG-CD1 3.48Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CD1 3.3Å; L57-L61 PolarHBondContact O-N 2.76Å; L57-V70 HydrophobicContact CB-CG1 4.14Å; L57-V70 HydrophobicContact CD2-CG1 3.71Å; L57-V70 HydrophobicContact CG-CG1 3.64Å; L57-F74 HydrophobicContact CD2-CB 3.87Å; L57-F74 HydrophobicContact CD2-CD2 4.36Å
58	Q	93.4	Very high	87.9	Confident	53 Å²	53	53.5 Å²	53.5	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-40.9	176	-73	175.4	-10.8	0	0	112.4	L54 E55 S60 G62 V67 V70 T71	L54-Q58 HydrophobicContact CD1-CG 4.08Å; L54-Q58 HydrophobicContact CG-CG 4.37Å; L54-Q58 WeakPolarHBondContact O-CB 3.42Å; L54-Q58 VanDerWaalsContact O-CG 3.32Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 2.84Å; E55-Q58 PolarHBondContact O-N 2.86Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; Q58-S60 PolarHBondContact O-N 3.11Å; Q58-G62 WeakPolarHBondContact O-CA 3.25Å; Q58-G62 PolarHBondContact O-N 3.23Å; Q58-V67 HydrophobicContact CG-CG1 4.28Å; Q58-V70 HydrophobicContact CB-CG1 4.48Å; Q58-V70 HydrophobicContact CG-CB 4.33Å; Q58-V70 HydrophobicContact CG-CG1 3.84Å; Q58-T71 PolarHBondContact NE2-OG1 3.01Å
59	A	91.3	Very high	89.9	Confident	78 Å²	78	47 Å²	47	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-64.9	-37.8	175.9	0	0	0	0	0	112.1	E55 A56 L57	E55-A59 VanDerWaalsContact O-CB 3.29Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 2.86Å; A56-A59 PolarHBondContact O-N 2.91Å; L57-A59 PolarHBondContact O-N 3.05Å
60	S	89.8	Confident	91.6	Very high	55 Å²	55	45.2 Å²	45.2	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-75.2	-40.6	-178.4	-58	0	0	0	0	112.8	A56 L57 Q58	A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 3.01Å; A56-S60 PolarHBondContact O-OG 3.3Å; L57-S60 PolarHBondContact O-N 3.48Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; Q58-S60 PolarHBondContact O-N 3.11Å
61	L	91.4	Very high	92.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-98.9	-21	-174.1	-78.1	133	0	0	0	114.3	L57 A63 L64 V65 V70 G220 L221	L57-L61 HydrophobicContact CD1-CD1 3.33Å; L57-L61 HydrophobicContact CD2-CD1 4.42Å; L57-L61 HydrophobicContact CG-CD1 3.48Å; L57-L61 VanDerWaalsContact CG-CD1 3.48Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CD1 3.3Å; L57-L61 PolarHBondContact O-N 2.76Å; L61-A63 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-V65 HydrophobicContact CB-CB 4.32Å; L61-V65 HydrophobicContact CB-CG2 4.49Å; L61-V65 HydrophobicContact CD2-CB 4.34Å; L61-V65 HydrophobicContact CD2-CG2 3.74Å; L61-V65 PolarHBondContact O-N 3.4Å; L61-V70 HydrophobicContact CB-CG1 4.47Å; L61-V70 HydrophobicContact CB-CG2 3.71Å; L61-V70 HydrophobicContact CD1-CG1 4.22Å; L61-G220 VanDerWaalsContact CD2-O 3.26Å; L61-G220 WeakPolarHBondContact CD2-O 3.12Å; L61-L221 HydrophobicContact CD1-CD2 3.7Å; L61-L221 HydrophobicContact CD2-CD2 3.89Å; L61-L221 HydrophobicContact CD2-CG 4.37Å; L61-L221 HydrophobicContact CG-CD2 4.08Å
62	G	85.5	Confident	93	Very high	38 Å²	38	37.5 Å²	37.5	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.8	-165.7	0	0	0	0	0	115.4	Q58 L64	Q58-G62 WeakPolarHBondContact O-CA 3.25Å; Q58-G62 PolarHBondContact O-N 3.23Å; G62-L64 VanDerWaalsContact C-N 3.34Å
63	A	88.7	Confident	93.3	Very high	61 Å²	61	37.5 Å²	37.5	50%	0.504	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.3	172.2	0	0	0	0	0	113.1	L61 R156	L61-A63 PolarHBondContact O-N 3.02Å; A63-R156 PolarHBondContact O-NH1 2.87Å; A63-R156 PolarHBondContact O-NH2 3.34Å; A63-R156 VanDerWaalsContact O-NH2 3.11Å
64	L	91.9	Very high	93.5	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.188	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-38	-174.6	-74.2	166.2	0	0	0	112.7	L61 G62 H152 R156 R157	L61-L64 PolarHBondContact O-N 3.01Å; G62-L64 VanDerWaalsContact C-N 3.34Å; L64-H152 WeakPolarHBondContact O-CB 3.41Å; L64-R156 HydrophobicContact CD2-CB 3.61Å; L64-R156 HydrophobicContact CD2-CG 4.46Å; L64-R157 HydrophobicContact CD2-CG 4.44Å
65	V	96.2	Very high	93.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	22%	0.219	C	C	.	.	S	Bend	trans	-118.5	131.3	-171.7	-176.9	0	0	0	0	109.6	L61 M69 V70 A149 I153 L216	L61-V65 HydrophobicContact CB-CB 4.32Å; L61-V65 HydrophobicContact CB-CG2 4.49Å; L61-V65 HydrophobicContact CD2-CB 4.34Å; L61-V65 HydrophobicContact CD2-CG2 3.74Å; L61-V65 PolarHBondContact O-N 3.4Å; V65-M69 HydrophobicContact CG1-CB 3.92Å; V65-M69 HydrophobicContact CG1-CG 4.24Å; V65-V70 HydrophobicContact CB-CG2 3.79Å; V65-V70 HydrophobicContact CG1-CG2 3.65Å; V65-A149 HydrophobicContact CG1-CB 4Å; V65-I153 HydrophobicContact CG2-CD1 4.04Å; V65-I153 HydrophobicContact CG2-CG1 4.22Å; V65-L216 HydrophobicContact CG1-CD1 3.73Å; V65-L216 HydrophobicContact CG2-CD1 4.04Å
66	P	96.3	Very high	93.9	Very high	22 Å²	22	29.8 Å²	29.8	14%	0.143	19%	0.191	C	C	.	.			trans	-53.4	140.7	173.6	-24.6	32.7	0	0	0	112.6	T68 M69 V70 T148 A149	P66-T68 PolarHBondContact O-N 2.71Å; P66-T68 VanDerWaalsContact O-N 3.16Å; P66-M69 PolarHBondContact O-N 2.68Å; P66-V70 PolarHBondContact O-N 3.41Å; P66-T148 HydrophobicContact CG-CG2 3.91Å; P66-A149 HydrophobicContact CG-CB 4.46Å
67	V	96.4	Very high	94.1	Very high	80 Å²	80	29.8 Å²	29.8	49%	0.485	19%	0.191	S	C	.	.	H	α-helix	trans	-55	-37.8	-177.4	176.8	0	0	0	0	112	Q58 M69 V70 T71	Q58-V67 HydrophobicContact CG-CG1 4.28Å; V67-M69 PolarHBondContact O-N 2.84Å; V67-V70 PolarHBondContact O-N 3.16Å; V67-T71 PolarHBondContact O-N 3.42Å; V67-T71 PolarHBondContact O-OG1 2.94Å
68	T	96.6	Very high	94.1	Very high	69 Å²	69	31.2 Å²	31.2	42%	0.423	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-47.7	177	50	0	0	0	0	111.9	P66 T71 R72 D145	P66-T68 PolarHBondContact O-N 2.71Å; P66-T68 VanDerWaalsContact O-N 3.16Å; T68-T71 PolarHBondContact O-N 2.93Å; T68-R72 WeakPolarHBondContact O-CG 3.17Å; T68-R72 PolarHBondContact O-N 3.36Å; T68-R72 VanDerWaalsContact O-N 3.12Å; T68-D145 VanDerWaalsContact CB-OD1 3.25Å; T68-D145 WeakPolarHBondContact CB-OD1 3.19Å; T68-D145 PolarHBondContact OG1-OD1 3.09Å
69	M	98	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-34.5	178	-167.1	61.3	-137.1	0	0	112.3	V65 P66 V67 T71 R72 M73 M123 F142 D145 L146 A149 L216	V65-M69 HydrophobicContact CG1-CB 3.92Å; V65-M69 HydrophobicContact CG1-CG 4.24Å; P66-M69 PolarHBondContact O-N 2.68Å; V67-M69 PolarHBondContact O-N 2.84Å; M69-T71 VanDerWaalsContact C-N 3.33Å; M69-T71 PolarHBondContact O-N 3.29Å; M69-R72 HydrophobicContact CE-CB 3.91Å; M69-R72 PolarHBondContact O-N 3.5Å; M69-R72 HydrophobicContact SD-CB 4.27Å; M69-M73 HydrophobicContact CE-CG 4.12Å; M69-M73 WeakPolarHBondContact O-CG 3.17Å; M69-M73 PolarHBondContact O-N 3.41Å; M69-M123 HydrophobicContact CE-SD 3.74Å; M69-F142 HydrophobicContact CE-CD2 4.24Å; M69-F142 HydrophobicContact CE-CE2 3.87Å; M69-D145 HydrophobicContact CB-CB 4.31Å; M69-D145 HydrophobicContact SD-CB 4.01Å; M69-L146 HydrophobicContact CE-CD1 4.4Å; M69-L146 HydrophobicContact SD-CB 4.1Å; M69-L146 HydrophobicContact SD-CD1 4.46Å; M69-A149 HydrophobicContact CB-CB 4Å; M69-A149 HydrophobicContact CG-CB 3.81Å; M69-L216 HydrophobicContact CE-CD2 3.46Å; M69-L216 VanDerWaalsContact CE-CD2 3.46Å; M69-L216 HydrophobicContact CG-CD1 4.04Å; M69-L216 HydrophobicContact CG-CD2 3.86Å; M69-L216 HydrophobicContact SD-CD2 4.31Å
70	V	97.3	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-41.7	173.6	-179.9	0	0	0	0	111.3	L57 Q58 L61 V65 P66 V67 R72 M73 F74	L57-V70 HydrophobicContact CB-CG1 4.14Å; L57-V70 HydrophobicContact CD2-CG1 3.71Å; L57-V70 HydrophobicContact CG-CG1 3.64Å; Q58-V70 HydrophobicContact CB-CG1 4.48Å; Q58-V70 HydrophobicContact CG-CB 4.33Å; Q58-V70 HydrophobicContact CG-CG1 3.84Å; L61-V70 HydrophobicContact CB-CG1 4.47Å; L61-V70 HydrophobicContact CB-CG2 3.71Å; L61-V70 HydrophobicContact CD1-CG1 4.22Å; V65-V70 HydrophobicContact CB-CG2 3.79Å; V65-V70 HydrophobicContact CG1-CG2 3.65Å; P66-V70 PolarHBondContact O-N 3.41Å; V67-V70 PolarHBondContact O-N 3.16Å; V70-R72 VanDerWaalsContact C-N 3.34Å; V70-R72 PolarHBondContact O-N 2.91Å; V70-M73 WeakPolarHBondContact O-CB 3.31Å; V70-M73 PolarHBondContact O-N 2.76Å; V70-F74 PolarHBondContact O-N 2.65Å
71	T	96.9	Very high	93.6	Very high	26 Å²	26	29.1 Å²	29.1	16%	0.16	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-40.8	174.8	-62.9	0	0	0	0	111.8	L54 Q58 V67 T68 M69 F74 W75	L54-T71 HydrophobicContact CD2-CG2 4.39Å; Q58-T71 PolarHBondContact NE2-OG1 3.01Å; V67-T71 PolarHBondContact O-N 3.42Å; V67-T71 PolarHBondContact O-OG1 2.94Å; T68-T71 PolarHBondContact O-N 2.93Å; M69-T71 VanDerWaalsContact C-N 3.33Å; M69-T71 PolarHBondContact O-N 3.29Å; T71-F74 WeakPolarHBondContact O-CB 3.49Å; T71-F74 PolarHBondContact O-N 3.04Å; T71-W75 PolarHBondContact O-N 3.31Å; T71-W75 VanDerWaalsContact O-N 3.1Å
72	R	97.6	Very high	92.2	Very high	16 Å²	16	30.5 Å²	30.5	6%	0.06	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-46.4	173.9	-67.4	179.4	-172.9	-89.8	8	111.7	T68 M69 V70 F74 W75 G76 M123 S124 N126 A141 D145	T68-R72 WeakPolarHBondContact O-CG 3.17Å; T68-R72 PolarHBondContact O-N 3.36Å; T68-R72 VanDerWaalsContact O-N 3.12Å; M69-R72 HydrophobicContact CE-CB 3.91Å; M69-R72 PolarHBondContact O-N 3.5Å; M69-R72 HydrophobicContact SD-CB 4.27Å; V70-R72 VanDerWaalsContact C-N 3.34Å; V70-R72 PolarHBondContact O-N 2.91Å; R72-F74 VanDerWaalsContact C-N 3.27Å; R72-F74 PolarHBondContact O-N 3.46Å; R72-W75 PolarHBondContact O-N 3.33Å; R72-W75 VanDerWaalsContact O-N 3.13Å; R72-G76 PolarHBondContact O-N 2.93Å; R72-M123 HydrophobicContact CB-CB 4.12Å; R72-M123 HydrophobicContact CB-CG 4.2Å; R72-M123 WeakPolarHBondContact CD-O 3.38Å; R72-M123 VanDerWaalsContact CG-O 3.32Å; R72-M123 WeakPolarHBondContact CG-O 3.49Å; R72-M123 PolarHBondContact NH1-O 2.8Å; R72-M123 WeakPolarHBondContact O-CG 3.26Å; R72-S124 PolarHBondContact NH1-O 3.36Å; R72-N126 HydrophobicContact CG-CB 4.12Å; R72-N126 VanDerWaalsContact CG-OD1 3.31Å; R72-N126 WeakPolarHBondContact CG-OD1 3.41Å; R72-A141 PolarHBondContact NH2-O 3.42Å; R72-D145 IonicContact CZ-OD2 2.9Å; R72-D145 IonicContact NE-OD2 3.87Å; R72-D145 PolarHBondContact NE-OD2 3.13Å; R72-D145 IonicContact NH2-OD2 2.7Å; R72-D145 PolarHBondContact NH2-OD2 3.08Å
73	M	96.8	Very high	90.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-42.4	175.7	-70.5	174.8	69.7	0	0	111.8	M69 V70 W75 G76 L77 F104 L216 V217 L221	M69-M73 HydrophobicContact CE-CG 4.12Å; M69-M73 WeakPolarHBondContact O-CG 3.17Å; M69-M73 PolarHBondContact O-N 3.41Å; V70-M73 WeakPolarHBondContact O-CB 3.31Å; V70-M73 PolarHBondContact O-N 2.76Å; M73-W75 PolarHBondContact O-N 2.79Å; M73-G76 PolarHBondContact O-N 3.25Å; M73-L77 WeakPolarHBondContact O-CG 3.38Å; M73-L77 PolarHBondContact O-N 2.78Å; M73-F104 HydrophobicContact CE-CE1 4.46Å; M73-L216 HydrophobicContact CE-CG 4.34Å; M73-L216 HydrophobicContact CG-CD2 3.82Å; M73-L216 HydrophobicContact CG-CG 4.44Å; M73-L216 HydrophobicContact SD-CD1 3.74Å; M73-L216 HydrophobicContact SD-CD2 3.76Å; M73-L216 HydrophobicContact SD-CG 3.73Å; M73-V217 HydrophobicContact CE-CG2 4.33Å; M73-L221 HydrophobicContact CE-CD1 4.22Å; M73-L221 HydrophobicContact CE-CG 4.26Å
74	F	95.9	Very high	88.6	Confident	18 Å²	18	36.4 Å²	36.4	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175.9	-179.9	-95.6	0	0	0	111.8	L54 L57 V70 T71 R72 G76 L77 C78 P96	L54-F74 HydrophobicContact CB-CD1 4.24Å; L54-F74 HydrophobicContact CB-CD2 4.03Å; L54-F74 HydrophobicContact CB-CE1 4.26Å; L54-F74 HydrophobicContact CB-CE2 4.05Å; L54-F74 HydrophobicContact CB-CG 4.13Å; L54-F74 HydrophobicContact CB-CZ 4.16Å; L54-F74 HydrophobicContact CD1-CB 3.63Å; L54-F74 HydrophobicContact CD1-CD1 4.21Å; L54-F74 HydrophobicContact CD1-CD2 4.25Å; L54-F74 HydrophobicContact CD1-CG 3.78Å; L54-F74 HydrophobicContact CG-CG 4.48Å; L57-F74 HydrophobicContact CD2-CB 3.87Å; L57-F74 HydrophobicContact CD2-CD2 4.36Å; V70-F74 PolarHBondContact O-N 2.65Å; T71-F74 WeakPolarHBondContact O-CB 3.49Å; T71-F74 PolarHBondContact O-N 3.04Å; R72-F74 VanDerWaalsContact C-N 3.27Å; R72-F74 PolarHBondContact O-N 3.46Å; F74-G76 PolarHBondContact O-N 3.18Å; F74-L77 WeakPolarHBondContact O-CB 3.5Å; F74-L77 PolarHBondContact O-N 3.06Å; F74-C78 VanDerWaalsContact CE1-SG 3.57Å; F74-C78 PolarHBondContact O-N 3.03Å; F74-C78 PolarHBondContact O-SG 3.4Å; F74-P96 HydrophobicContact CD2-CG 4.38Å; F74-P96 VanDerWaalsContact CE2-CD 3.46Å; F74-P96 HydrophobicContact CE2-CG 4.19Å
75	W	95.3	Very high	86.2	Confident	63 Å²	63	37.7 Å²	37.7	24%	0.239	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-35	176.6	-66.5	121.5	0	0	0	113	T71 R72 M73 L77 C78 S79 A128	T71-W75 PolarHBondContact O-N 3.31Å; T71-W75 VanDerWaalsContact O-N 3.1Å; R72-W75 PolarHBondContact O-N 3.33Å; R72-W75 VanDerWaalsContact O-N 3.13Å; M73-W75 PolarHBondContact O-N 2.79Å; W75-L77 VanDerWaalsContact C-N 3.35Å; W75-C78 HydrophobicContact CE3-CB 4.23Å; W75-C78 PolarHBondContact O-N 3.16Å; W75-S79 PolarHBondContact O-N 3.02Å; W75-A128 HydrophobicContact CE3-CB 4.37Å; W75-A128 HydrophobicContact CH2-CB 3.7Å; W75-A128 VanDerWaalsContact CZ3-CA 3.49Å; W75-A128 HydrophobicContact CZ3-CB 3.57Å
76	G	95.6	Very high	83.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-41.9	171.1	0	0	0	0	0	112.4	R72 M73 F74 S79	R72-G76 PolarHBondContact O-N 2.93Å; M73-G76 PolarHBondContact O-N 3.25Å; F74-G76 PolarHBondContact O-N 3.18Å; G76-S79 PolarHBondContact O-N 3.23Å; G76-S79 PolarHBondContact O-OG 3.49Å
77	L	94.2	Very high	80.1	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-46.1	173.1	-77.3	159.4	0	0	0	111.7	M73 F74 W75 S79 I80 P96 L101 F104	M73-L77 WeakPolarHBondContact O-CG 3.38Å; M73-L77 PolarHBondContact O-N 2.78Å; F74-L77 WeakPolarHBondContact O-CB 3.5Å; F74-L77 PolarHBondContact O-N 3.06Å; W75-L77 VanDerWaalsContact C-N 3.35Å; L77-S79 PolarHBondContact O-N 2.88Å; L77-I80 PolarHBondContact O-N 3.41Å; L77-P96 HydrophobicContact CB-CB 3.79Å; L77-P96 HydrophobicContact CB-CG 3.69Å; L77-P96 HydrophobicContact CD1-CG 4.32Å; L77-L101 HydrophobicContact CD2-CB 4.24Å; L77-L101 HydrophobicContact CD2-CD1 3.84Å; L77-F104 HydrophobicContact CD2-CB 3.44Å; L77-F104 VanDerWaalsContact CD2-CB 3.44Å; L77-F104 HydrophobicContact CD2-CD1 3.8Å; L77-F104 HydrophobicContact CD2-CD2 4.13Å; L77-F104 HydrophobicContact CD2-CG 3.53Å; L77-F104 HydrophobicContact CG-CB 4.36Å; L77-F104 HydrophobicContact CG-CD1 4.21Å; L77-F104 HydrophobicContact CG-CD2 4.14Å; L77-F104 HydrophobicContact CG-CG 3.98Å
78	C	92.1	Very high	77.4	Confident	32 Å²	32	50.6 Å²	50.6	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-26.4	178.8	-69.9	0	0	0	0	113.4	F74 W75 I80	F74-C78 VanDerWaalsContact CE1-SG 3.57Å; F74-C78 PolarHBondContact O-N 3.03Å; F74-C78 PolarHBondContact O-SG 3.4Å; W75-C78 HydrophobicContact CE3-CB 4.23Å; W75-C78 PolarHBondContact O-N 3.16Å; C78-I80 PolarHBondContact O-N 3.09Å
79	S	91.3	Very high	74.7	Confident	22 Å²	22	57.6 Å²	57.6	15%	0.154	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.4	-179.6	70.7	0	0	0	0	114.4	W75 G76 L77 E81 A122 W130	W75-S79 PolarHBondContact O-N 3.02Å; G76-S79 PolarHBondContact O-N 3.23Å; G76-S79 PolarHBondContact O-OG 3.49Å; L77-S79 PolarHBondContact O-N 2.88Å; S79-E81 PolarHBondContact O-N 3.04Å; S79-A122 VanDerWaalsContact CB-CB 3.5Å; S79-A122 WeakPolarHBondContact OG-CB 3.32Å; S79-W130 PolarHBondContact O-NE1 3.02Å
80	I	90.6	Very high	71.8	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.056	36%	0.364	C	S	.	.			trans	-80.1	121.5	-177.5	-62.8	167.3	0	0	0	109.6	M20 L77 C78 P82 Q100 V103 F104 L119	M20-I80 HydrophobicContact CE-CG2 3.98Å; L77-I80 PolarHBondContact O-N 3.41Å; C78-I80 PolarHBondContact O-N 3.09Å; I80-P82 VanDerWaalsContact O-CD 3.25Å; I80-P82 WeakPolarHBondContact O-CD 3.16Å; I80-Q100 HydrophobicContact CB-CG 4.38Å; I80-Q100 WeakPolarHBondContact CD1-O 3.43Å; I80-Q100 HydrophobicContact CG2-CG 4.37Å; I80-Q100 PolarHBondContact O-NE2 3.18Å; I80-V103 HydrophobicContact CD1-CB 4.3Å; I80-V103 HydrophobicContact CD1-CG1 4.12Å; I80-V103 HydrophobicContact CG1-CG1 4.46Å; I80-V103 HydrophobicContact CG2-CB 3.86Å; I80-V103 HydrophobicContact CG2-CG1 3.56Å; I80-V103 HydrophobicContact CG2-CG2 4.44Å; I80-F104 HydrophobicContact CD1-CB 3.48Å; I80-F104 VanDerWaalsContact CD1-CB 3.48Å; I80-F104 HydrophobicContact CD1-CD2 4.2Å; I80-F104 HydrophobicContact CD1-CG 4.36Å; I80-L119 HydrophobicContact CD1-CD2 3.99Å; I80-L119 HydrophobicContact CG1-CD2 3.87Å
81	E	80.9	Confident	69.2	Low	110 Å²	110	65.6 Å²	65.6	51%	0.514	39%	0.388	S	S	.	.			trans	-105.3	99.6	173.6	-65.2	-168.2	140.6	0	0	110.9	M20 S79 G83 W130	M20-E81 WeakPolarHBondContact CE-O 3.48Å; S79-E81 PolarHBondContact O-N 3.04Å; E81-G83 PolarHBondContact O-N 3.41Å; E81-W130 HydrophobicContact CG-CZ2 3.8Å; E81-W130 WeakPolarHBondContact OE1-CH2 3.49Å; E81-W130 WeakPolarHBondContact OE1-CZ2 3.45Å
82	P	62.3	Low	66.6	Low	31 Å²	31	69.4 Å²	69.4	20%	0.201	42%	0.422	C	S	.	.			trans	-71.7	68	174.4	29.1	-32.1	0	0	0	112.5	S18 M20 V21 I80 Q100	S18-P82 VanDerWaalsContact CB-C 3.49Å; S18-P82 WeakPolarHBondContact CB-O 3.41Å; M20-P82 HydrophobicContact CE-CB 4.24Å; V21-P82 HydrophobicContact CG2-CB 3.49Å; V21-P82 VanDerWaalsContact CG2-CB 3.49Å; I80-P82 VanDerWaalsContact O-CD 3.25Å; I80-P82 WeakPolarHBondContact O-CD 3.16Å; P82-Q100 HydrophobicContact CG-CG 4.02Å
83	G	55.6	Low	64.3	Low	44 Å²	44	72.9 Å²	72.9	45%	0.454	46%	0.455	S	S	.	.	S	Bend	trans	73.3	150.2	170.6	0	0	0	0	0	116.6	S18 E81 A85	S18-G83 PolarHBondContact OG-N 3.01Å; E81-G83 PolarHBondContact O-N 3.41Å; G83-A85 PolarHBondContact O-N 3.34Å
84	L	43.3	Very low	62.9	Low	178 Å²	178	78 Å²	78	93%	0.932	48%	0.481	S	S	*	.			trans	-3.5	92	-173.7	-74.2	160.8	0	0	0	116.3	E86	L84-E86 PolarHBondContact O-N 3.26Å; L84-E86 VanDerWaalsContact O-N 3.16Å
85	A	40.9	Very low	62.2	Low	63 Å²	63	77.6 Å²	77.6	52%	0.521	48%	0.482	S	S	.	.			trans	-56.1	117.6	149.6	0	0	0	0	0	107.9	G83	G83-A85 PolarHBondContact O-N 3.34Å
86	E	34.5	Very low	61.9	Low	161 Å²	161	74.6 Å²	74.6	75%	0.752	47%	0.471	S	S	*	.			trans	-54	136.6	160.9	-76.6	-157.7	152.6	0	0	108.4	L84 G88 R89	L84-E86 PolarHBondContact O-N 3.26Å; L84-E86 VanDerWaalsContact O-N 3.16Å; E86-G88 PolarHBondContact O-N 3.23Å; E86-R89 PolarHBondContact O-N 3.01Å
87	P	29.6	Very low	61.6	Low	138 Å²	138	77 Å²	77	90%	0.896	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	104.6	-178.3	24.7	-31.3	0	0	0	108.7
88	G	40.3	Very low	61.5	Low	76 Å²	76	80.4 Å²	80.4	78%	0.784	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.6	-14.1	-178.9	0	0	0	0	0	116	E86 A90	E86-G88 PolarHBondContact O-N 3.23Å; G88-A90 PolarHBondContact O-N 3.1Å
89	R	38.9	Very low	61.3	Low	217 Å²	217	81.2 Å²	81.2	82%	0.819	50%	0.497	S	S	*	.			trans	-88.2	77.3	168.8	-80.6	-169.6	179.7	177.7	3.4	111.1	E86 S91	E86-R89 PolarHBondContact O-N 3.01Å; R89-S91 PolarHBondContact O-N 3.29Å
90	A	37.8	Very low	61.4	Low	96 Å²	96	81.6 Å²	81.6	79%	0.793	50%	0.496	S	S	*	.			trans	-65.8	83.4	149.5	0	0	0	0	0	107.6	G88 A92	G88-A90 PolarHBondContact O-N 3.1Å; A90-A92 PolarHBondContact O-N 3.39Å
91	S	43.1	Very low	61.5	Low	72 Å²	72	81.1 Å²	81.1	50%	0.503	49%	0.493	S	S	.	.			trans	-80.2	61.9	171	-176.3	0	0	0	0	109.3	R89 A93	R89-S91 PolarHBondContact O-N 3.29Å; S91-A93 PolarHBondContact O-N 3.47Å
92	A	42.5	Very low	62.1	Low	106 Å²	106	75.9 Å²	75.9	88%	0.876	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	12.7	174.7	0	0	0	0	0	113.1	A90	A90-A92 PolarHBondContact O-N 3.39Å
93	A	48.4	Very low	63.6	Low	89 Å²	89	74.4 Å²	74.4	74%	0.736	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	-2.2	-168.4	0	0	0	0	0	115.7	S91	S91-A93 PolarHBondContact O-N 3.47Å
94	L	67.3	Low	65.6	Low	108 Å²	108	72.3 Å²	72.3	57%	0.565	44%	0.438	S	S	*	.			trans	-114.8	121.6	173.2	-93.6	86.3	0	0	0	108.8	T51	T51-L94 HydrophobicContact CG2-CB 4.11Å; T51-L94 HydrophobicContact CG2-CD2 3.75Å; T51-L94 HydrophobicContact CG2-CG 4.21Å
95	G	81.6	Confident	68	Low	9 Å²	9	63.9 Å²	63.9	9%	0.093	39%	0.394	C	S	.	.			trans	-64.9	-178.9	170.6	0	0	0	0	0	112.4	T51 L52	T51-G95 WeakPolarHBondContact CB-O 3.25Å; T51-G95 WeakPolarHBondContact CG2-O 3.22Å; L52-G95 WeakPolarHBondContact O-CA 3.21Å
96	P	89.6	Confident	70.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	37%	0.369	C	S	.	.			trans	-71.1	139.9	-167.1	25.7	-29.8	0	0	0	112	T51 L52 F74 L77 Q100	T51-P96 CarbonylContact C-O 3.51Å; T51-P96 WeakPolarHBondContact CA-O 2.95Å; L52-P96 HydrophobicContact CB-CG 4.09Å; L52-P96 HydrophobicContact CD1-CG 4.44Å; L52-P96 PolarHBondContact N-O 2.83Å; L52-P96 WeakPolarHBondContact O-CD 3.32Å; F74-P96 HydrophobicContact CD2-CG 4.38Å; F74-P96 VanDerWaalsContact CE2-CD 3.46Å; F74-P96 HydrophobicContact CE2-CG 4.19Å; L77-P96 HydrophobicContact CB-CB 3.79Å; L77-P96 HydrophobicContact CB-CG 3.69Å; L77-P96 HydrophobicContact CD1-CG 4.32Å; P96-Q100 HydrophobicContact CB-CB 4.13Å
97	D	89.9	Confident	73.5	Confident	50 Å²	50	53.7 Å²	53.7	27%	0.267	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-89.8	-174.4	178.1	72.4	22.8	0	0	0	113	K50 T51 E99 Q100 L101	K50-D97 WeakPolarHBondContact O-CB 3.21Å; T51-D97 HydrophobicContact CG2-CB 4.23Å; D97-E99 VanDerWaalsContact C-N 3.35Å; D97-E99 WeakPolarHBondContact OD1-CA 3.38Å; D97-E99 WeakPolarHBondContact OD1-CB 3.28Å; D97-E99 PolarHBondContact OD1-N 2.93Å; D97-Q100 PolarHBondContact OD1-N 3.03Å; D97-L101 PolarHBondContact O-N 3.36Å; D97-L101 VanDerWaalsContact O-N 3.09Å
98	R	90.1	Very high	76.7	Confident	76 Å²	76	47.1 Å²	47.1	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-38.3	-178.8	179.5	-173.5	167.2	-88.4	-1.6	112.4	D37 F40 L101 M102	D37-R98 IonicContact OD1-CZ 3.24Å; D37-R98 IonicContact OD1-NE 3.23Å; D37-R98 PolarHBondContact OD1-NE 2.8Å; D37-R98 IonicContact OD1-NH2 3.78Å; D37-R98 PolarHBondContact OD1-NH2 3.01Å; D37-R98 IonicContact OD2-NH2 3.73Å; D37-R98 PolarHBondContact OD2-NH2 3.23Å; F40-R98 HydrophobicContact CD1-CB 4.05Å; F40-R98 HydrophobicContact CD1-CG 4.34Å; F40-R98 HydrophobicContact CD2-CB 4.09Å; F40-R98 HydrophobicContact CE1-CB 3.9Å; F40-R98 VanDerWaalsContact CE2-CA 3.44Å; F40-R98 HydrophobicContact CE2-CB 3.98Å; F40-R98 HydrophobicContact CG-CB 4.12Å; F40-R98 HydrophobicContact CG-CG 4.27Å; F40-R98 HydrophobicContact CZ-CB 3.88Å; R98-L101 PolarHBondContact O-N 3.26Å; R98-M102 WeakPolarHBondContact O-CB 3.27Å; R98-M102 PolarHBondContact O-N 3.18Å
99	E	89.8	Confident	79.2	Confident	49 Å²	49	44.2 Å²	44.2	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-41.2	-178.1	-66.9	-179.5	-160.8	0	0	110.3	V21 D97 L101 M102 V103	V21-E99 HydrophobicContact CG1-CB 4.2Å; V21-E99 HydrophobicContact CG1-CG 4.09Å; V21-E99 HydrophobicContact CG2-CB 4.07Å; D97-E99 VanDerWaalsContact C-N 3.35Å; D97-E99 WeakPolarHBondContact OD1-CA 3.38Å; D97-E99 WeakPolarHBondContact OD1-CB 3.28Å; D97-E99 PolarHBondContact OD1-N 2.93Å; E99-L101 PolarHBondContact O-N 3.47Å; E99-M102 WeakPolarHBondContact O-CB 3.37Å; E99-M102 PolarHBondContact O-N 2.79Å; E99-M102 VanDerWaalsContact O-N 3.16Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.31Å
100	Q	92.3	Very high	81.7	Confident	30 Å²	30	37.8 Å²	37.8	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-43.1	173.9	-68.9	173.5	-66.6	0	0	111.7	I80 P82 P96 D97 M102 V103 F104	I80-Q100 HydrophobicContact CB-CG 4.38Å; I80-Q100 WeakPolarHBondContact CD1-O 3.43Å; I80-Q100 HydrophobicContact CG2-CG 4.37Å; I80-Q100 PolarHBondContact O-NE2 3.18Å; P82-Q100 HydrophobicContact CG-CG 4.02Å; P96-Q100 HydrophobicContact CB-CB 4.13Å; D97-Q100 PolarHBondContact OD1-N 3.03Å; Q100-M102 VanDerWaalsContact C-N 3.31Å; Q100-M102 PolarHBondContact O-N 3.31Å; Q100-V103 PolarHBondContact O-N 3.16Å; Q100-F104 VanDerWaalsContact O-CB 3.31Å; Q100-F104 WeakPolarHBondContact O-CB 3.45Å; Q100-F104 PolarHBondContact O-N 3.05Å
101	L	93.6	Very high	84.4	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-43	173.1	178.9	64.3	0	0	0	111.6	V39 F40 L43 L77 D97 R98 E99 F104 L105	V39-L101 HydrophobicContact CG1-CD2 4.28Å; F40-L101 HydrophobicContact CB-CD2 3.81Å; F40-L101 HydrophobicContact CD2-CB 4.29Å; F40-L101 HydrophobicContact CD2-CD2 3.76Å; F40-L101 HydrophobicContact CG-CD2 4.29Å; L43-L101 HydrophobicContact CD1-CD2 4.41Å; L77-L101 HydrophobicContact CD2-CB 4.24Å; L77-L101 HydrophobicContact CD2-CD1 3.84Å; D97-L101 PolarHBondContact O-N 3.36Å; D97-L101 VanDerWaalsContact O-N 3.09Å; R98-L101 PolarHBondContact O-N 3.26Å; E99-L101 PolarHBondContact O-N 3.47Å; L101-F104 WeakPolarHBondContact O-CB 3.35Å; L101-F104 PolarHBondContact O-N 3.27Å; L101-L105 HydrophobicContact CD1-CD1 4.27Å; L101-L105 HydrophobicContact CD1-CD2 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.11Å; L101-L105 HydrophobicContact CG-CD1 4.14Å; L101-L105 HydrophobicContact CG-CG 4.36Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 2.87Å
102	M	93.1	Very high	86.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-41.8	-179.3	-179	161.4	-82.9	0	0	112.8	M25 R33 I36 R98 E99 Q100 A106	M25-M102 HydrophobicContact CB-SD 4.35Å; M25-M102 HydrophobicContact CE-SD 4.2Å; M25-M102 HydrophobicContact CG-CG 4.19Å; M25-M102 HydrophobicContact CG-SD 3.15Å; M25-M102 WeakPolarHBondContact CG-SD 3.45Å; M25-M102 HydrophobicContact SD-SD 3.98Å; R33-M102 HydrophobicContact CB-CE 4.42Å; R33-M102 HydrophobicContact CG-CE 4.43Å; I36-M102 HydrophobicContact CB-CE 4.11Å; I36-M102 HydrophobicContact CD1-CE 4.03Å; I36-M102 HydrophobicContact CG2-CB 4.43Å; I36-M102 HydrophobicContact CG2-CE 3.76Å; R98-M102 WeakPolarHBondContact O-CB 3.27Å; R98-M102 PolarHBondContact O-N 3.18Å; E99-M102 WeakPolarHBondContact O-CB 3.37Å; E99-M102 PolarHBondContact O-N 2.79Å; E99-M102 VanDerWaalsContact O-N 3.16Å; Q100-M102 VanDerWaalsContact C-N 3.31Å; Q100-M102 PolarHBondContact O-N 3.31Å; M102-A106 WeakPolarHBondContact O-CB 3.48Å; M102-A106 PolarHBondContact O-N 2.99Å
103	V	94.5	Very high	89.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-44.9	174.5	172.6	0	0	0	0	110.3	M20 V21 R24 I80 E99 Q100 L105 A106 D107	M20-V103 HydrophobicContact CE-CG1 4.21Å; M20-V103 HydrophobicContact CE-CG2 4.32Å; M20-V103 HydrophobicContact SD-CG1 4.2Å; V21-V103 HydrophobicContact CG2-CG2 4Å; R24-V103 HydrophobicContact CB-CG2 4.24Å; R24-V103 HydrophobicContact CG-CB 4.35Å; R24-V103 HydrophobicContact CG-CG1 4.16Å; R24-V103 HydrophobicContact CG-CG2 4.02Å; I80-V103 HydrophobicContact CD1-CB 4.3Å; I80-V103 HydrophobicContact CD1-CG1 4.12Å; I80-V103 HydrophobicContact CG1-CG1 4.46Å; I80-V103 HydrophobicContact CG2-CB 3.86Å; I80-V103 HydrophobicContact CG2-CG1 3.56Å; I80-V103 HydrophobicContact CG2-CG2 4.44Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.31Å; Q100-V103 PolarHBondContact O-N 3.16Å; V103-L105 PolarHBondContact O-N 2.89Å; V103-A106 WeakPolarHBondContact O-CB 3.41Å; V103-A106 PolarHBondContact O-N 3.24Å; V103-A106 VanDerWaalsContact O-N 3.08Å; V103-D107 WeakPolarHBondContact CG1-OD2 3.38Å; V103-D107 WeakPolarHBondContact O-CB 3.48Å; V103-D107 PolarHBondContact O-N 3.24Å
104	F	95.9	Very high	91.7	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-55.9	-49.2	176.7	179.8	-100.5	0	0	0	112.1	M73 L77 I80 Q100 L101 A106 D107 V108 L119 V217	M73-F104 HydrophobicContact CE-CE1 4.46Å; L77-F104 HydrophobicContact CD2-CB 3.44Å; L77-F104 VanDerWaalsContact CD2-CB 3.44Å; L77-F104 HydrophobicContact CD2-CD1 3.8Å; L77-F104 HydrophobicContact CD2-CD2 4.13Å; L77-F104 HydrophobicContact CD2-CG 3.53Å; L77-F104 HydrophobicContact CG-CB 4.36Å; L77-F104 HydrophobicContact CG-CD1 4.21Å; L77-F104 HydrophobicContact CG-CD2 4.14Å; L77-F104 HydrophobicContact CG-CG 3.98Å; I80-F104 HydrophobicContact CD1-CB 3.48Å; I80-F104 VanDerWaalsContact CD1-CB 3.48Å; I80-F104 HydrophobicContact CD1-CD2 4.2Å; I80-F104 HydrophobicContact CD1-CG 4.36Å; Q100-F104 VanDerWaalsContact O-CB 3.31Å; Q100-F104 WeakPolarHBondContact O-CB 3.45Å; Q100-F104 PolarHBondContact O-N 3.05Å; L101-F104 WeakPolarHBondContact O-CB 3.35Å; L101-F104 PolarHBondContact O-N 3.27Å; F104-A106 VanDerWaalsContact C-N 3.31Å; F104-A106 PolarHBondContact O-N 2.81Å; F104-D107 PolarHBondContact O-N 2.88Å; F104-V108 HydrophobicContact CD2-CG2 4.37Å; F104-V108 HydrophobicContact CE1-CG2 4.22Å; F104-V108 HydrophobicContact CE2-CG2 4.05Å; F104-V108 HydrophobicContact CZ-CG2 3.97Å; F104-V108 WeakPolarHBondContact O-CB 3.37Å; F104-V108 WeakPolarHBondContact O-CG2 3.42Å; F104-V108 PolarHBondContact O-N 3.48Å; F104-L119 HydrophobicContact CD2-CD1 3.93Å; F104-L119 HydrophobicContact CD2-CD2 4Å; F104-L119 HydrophobicContact CE2-CD1 4.17Å; F104-L119 HydrophobicContact CE2-CD2 4.45Å; F104-V217 HydrophobicContact CE1-CG2 3.63Å; F104-V217 HydrophobicContact CZ-CG2 4.08Å
105	L	95.2	Very high	93.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-38.9	177.1	-66.5	179.2	0	0	0	111.6	F28 I36 L101 V103 L109 V217 L221 V223	F28-L105 HydrophobicContact CZ-CB 4.2Å; I36-L105 HydrophobicContact CB-CD1 4.31Å; I36-L105 HydrophobicContact CD1-CD1 4.27Å; I36-L105 HydrophobicContact CG1-CD1 3.78Å; I36-L105 HydrophobicContact CG2-CD1 3.82Å; L101-L105 HydrophobicContact CD1-CD1 4.27Å; L101-L105 HydrophobicContact CD1-CD2 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.11Å; L101-L105 HydrophobicContact CG-CD1 4.14Å; L101-L105 HydrophobicContact CG-CG 4.36Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 2.87Å; V103-L105 PolarHBondContact O-N 2.89Å; L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 HydrophobicContact CD2-CD1 4.46Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.35Å; L105-V217 HydrophobicContact CD2-CG1 3.15Å; L105-L221 HydrophobicContact CD2-CD1 4Å; L105-V223 HydrophobicContact CD2-CG2 4.36Å
106	A	94.9	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-40.2	178.4	0	0	0	0	0	112.6	R24 F28 M102 V103 F104 R110 G111	R24-A106 HydrophobicContact CB-CB 3.62Å; R24-A106 HydrophobicContact CG-CB 3.94Å; F28-A106 HydrophobicContact CE2-CB 3.65Å; F28-A106 HydrophobicContact CZ-CB 3.97Å; M102-A106 WeakPolarHBondContact O-CB 3.48Å; M102-A106 PolarHBondContact O-N 2.99Å; V103-A106 WeakPolarHBondContact O-CB 3.41Å; V103-A106 PolarHBondContact O-N 3.24Å; V103-A106 VanDerWaalsContact O-N 3.08Å; F104-A106 VanDerWaalsContact C-N 3.31Å; F104-A106 PolarHBondContact O-N 2.81Å; A106-R110 CarbonylContact O-C 3.54Å; A106-R110 WeakPolarHBondContact O-CA 3.25Å; A106-R110 PolarHBondContact O-N 3.29Å; A106-G111 PolarHBondContact O-N 3.31Å
107	D	95.7	Very high	94.2	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-74.6	-41.3	-178.8	-69.9	-16.5	0	0	0	111	R24 R27 V103 F104 G111 E115 R116 L119	R24-D107 IonicContact CZ-OD1 2.71Å; R24-D107 VanDerWaalsContact CZ-OD1 3.23Å; R24-D107 IonicContact NE-OD1 3.06Å; R24-D107 PolarHBondContact NE-OD1 3.28Å; R24-D107 IonicContact NH2-OD1 2.7Å; R24-D107 PolarHBondContact NH2-OD1 2.97Å; R24-D107 VanDerWaalsContact NH2-OD1 3.14Å; R27-D107 IonicContact NH1-OD1 3.13Å; V103-D107 WeakPolarHBondContact CG1-OD2 3.38Å; V103-D107 WeakPolarHBondContact O-CB 3.48Å; V103-D107 PolarHBondContact O-N 3.24Å; F104-D107 PolarHBondContact O-N 2.88Å; D107-G111 WeakPolarHBondContact O-CA 3.45Å; D107-G111 PolarHBondContact O-N 2.91Å; D107-G111 VanDerWaalsContact O-N 3.11Å; D107-E115 HydrophobicContact CB-CB 4.31Å; D107-R116 VanDerWaalsContact O-CG 3.32Å; D107-R116 WeakPolarHBondContact O-CG 3.48Å; D107-R116 PolarHBondContact O-NE 2.9Å; D107-L119 HydrophobicContact CB-CD1 3.76Å
108	V	95.4	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.2	-46.6	177.5	173.8	0	0	0	0	112.4	F104 R116 L119 L213 E214 V217	F104-V108 HydrophobicContact CD2-CG2 4.37Å; F104-V108 HydrophobicContact CE1-CG2 4.22Å; F104-V108 HydrophobicContact CE2-CG2 4.05Å; F104-V108 HydrophobicContact CZ-CG2 3.97Å; F104-V108 WeakPolarHBondContact O-CB 3.37Å; F104-V108 WeakPolarHBondContact O-CG2 3.42Å; F104-V108 PolarHBondContact O-N 3.48Å; V108-R116 VanDerWaalsContact O-CZ 3.27Å; V108-R116 PolarHBondContact O-NE 3.37Å; V108-R116 PolarHBondContact O-NH2 2.91Å; V108-L119 HydrophobicContact CG2-CD1 3.72Å; V108-L213 HydrophobicContact CG1-CB 3.8Å; V108-L213 WeakPolarHBondContact CG1-O 3.14Å; V108-E214 WeakPolarHBondContact O-CG 3.5Å; V108-V217 HydrophobicContact CB-CG2 4.2Å; V108-V217 HydrophobicContact CG1-CB 3.91Å; V108-V217 HydrophobicContact CG1-CG1 4.44Å; V108-V217 HydrophobicContact CG1-CG2 3.63Å; V108-V217 HydrophobicContact CG2-CG2 4.3Å
109	L	93.3	Very high	94.8	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-88.3	-25.3	-171.6	-59.2	173.5	0	0	0	113.9	L105 E214 V217 A218 V223 L225	L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 HydrophobicContact CD2-CD1 4.46Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.35Å; L109-E214 HydrophobicContact CD2-CB 4.39Å; L109-E214 HydrophobicContact CD2-CG 4.3Å; L109-V217 HydrophobicContact CD1-CG1 4.22Å; L109-V217 HydrophobicContact CD2-CB 4.32Å; L109-V217 HydrophobicContact CD2-CG1 4.05Å; L109-V217 HydrophobicContact CG-CG1 4.12Å; L109-A218 HydrophobicContact CD2-CB 4.14Å; L109-V223 HydrophobicContact CD1-CG1 4.38Å; L109-L225 HydrophobicContact CD1-CD1 3.6Å
110	R	92.2	Very high	95.2	Very high	82 Å²	82	22.4 Å²	22.4	31%	0.309	12%	0.117	S	C	.	.	H	α-helix	trans	-141.8	14	-172.6	-60.7	-174.4	179.1	171.7	4.4	113.1	R27 E32 A106	R27-R110 PolarHBondContact O-NH1 3.1Å; E32-R110 VanDerWaalsContact CD-NH2 3.3Å; E32-R110 IonicContact OE1-CZ 3.22Å; E32-R110 IonicContact OE1-NH1 2.71Å; E32-R110 IonicContact OE1-NH2 2.68Å; E32-R110 PolarHBondContact OE1-NH2 3.27Å; E32-R110 IonicContact OE2-CZ 2.91Å; E32-R110 IonicContact OE2-NH1 3.31Å; E32-R110 PolarHBondContact OE2-NH1 3.49Å; E32-R110 IonicContact OE2-NH2 2.67Å; E32-R110 PolarHBondContact OE2-NH2 3.13Å; A106-R110 CarbonylContact O-C 3.54Å; A106-R110 WeakPolarHBondContact O-CA 3.25Å; A106-R110 PolarHBondContact O-N 3.29Å
111	G	93.6	Very high	95.4	Very high	15 Å²	15	21.6 Å²	21.6	16%	0.155	11%	0.114	C	C	.	.			trans	-82.9	-179.7	-175.6	0	0	0	0	0	114.2	A106 D107 E115 R116	A106-G111 PolarHBondContact O-N 3.31Å; D107-G111 WeakPolarHBondContact O-CA 3.45Å; D107-G111 PolarHBondContact O-N 2.91Å; D107-G111 VanDerWaalsContact O-N 3.11Å; G111-E115 WeakPolarHBondContact CA-OE2 3.48Å; G111-R116 PolarHBondContact O-NH1 3Å
112	T	95.6	Very high	95.6	Very high	68 Å²	68	21.9 Å²	21.9	42%	0.417	12%	0.117	S	C	.	.			trans	-95.1	-177.8	164.5	60.3	0	0	0	0	111	E115 R116	T112-E115 PolarHBondContact N-OE2 3.34Å; T112-E115 VanDerWaalsContact N-OE2 3.11Å; T112-E115 PolarHBondContact O-N 3.5Å; T112-E115 WeakPolarHBondContact OG1-CG 3.34Å; T112-E115 PolarHBondContact OG1-N 3.5Å; T112-R116 WeakPolarHBondContact O-CG 3.44Å; T112-R116 PolarHBondContact O-N 3.37Å; T112-R116 PolarHBondContact O-NH1 3.27Å
113	A	96.9	Very high	95.8	Very high	16 Å²	16	21.9 Å²	21.9	13%	0.132	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-41.8	170.2	0	0	0	0	0	111.5	E115 R116 A117 E200 V203 F204	A113-E115 PolarHBondContact O-N 2.95Å; A113-R116 PolarHBondContact O-N 2.95Å; A113-R116 VanDerWaalsContact O-N 3.1Å; A113-A117 WeakPolarHBondContact O-CB 3.44Å; A113-A117 PolarHBondContact O-N 3.31Å; A113-E200 HydrophobicContact CB-CG 4.25Å; A113-V203 HydrophobicContact CB-CB 4.45Å; A113-V203 HydrophobicContact CB-CG1 4.2Å; A113-F204 HydrophobicContact CB-CB 3.77Å; A113-F204 HydrophobicContact CB-CD2 4.45Å
114	E	96.1	Very high	96	Very high	127 Å²	127	22 Å²	22	59%	0.593	12%	0.117	S	C	*	.	H	α-helix	trans	-54.1	-38.4	174.6	-173.5	-173.9	178.7	0	0	112	P118 E200	E114-P118 WeakPolarHBondContact O-CD 3.37Å; E114-E200 HydrophobicContact CB-CG 4.42Å
115	E	95.3	Very high	96.1	Very high	29 Å²	29	24.6 Å²	24.6	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-82.4	-26	-178.6	-63.1	174.4	157.4	0	0	112.7	R24 R27 D107 G111 T112 A113	R24-E115 VanDerWaalsContact CZ-CD 3.45Å; R24-E115 IonicContact CZ-OE1 2.67Å; R24-E115 IonicContact CZ-OE2 2.75Å; R24-E115 IonicContact NH1-OE1 3.24Å; R24-E115 PolarHBondContact NH1-OE1 3.26Å; R24-E115 VanDerWaalsContact NH2-CG 3.26Å; R24-E115 IonicContact NH2-OE1 3.19Å; R24-E115 PolarHBondContact NH2-OE1 2.96Å; R24-E115 IonicContact NH2-OE2 2.61Å; R27-E115 IonicContact CZ-OE1 3.84Å; R27-E115 IonicContact CZ-OE2 2.8Å; R27-E115 VanDerWaalsContact CZ-OE2 3.26Å; R27-E115 IonicContact NH1-OE1 3.3Å; R27-E115 IonicContact NH1-OE2 3.54Å; R27-E115 PolarHBondContact NH1-OE2 3.3Å; R27-E115 IonicContact NH2-OE1 2.7Å; R27-E115 PolarHBondContact NH2-OE1 3.02Å; R27-E115 IonicContact NH2-OE2 3.64Å; R27-E115 PolarHBondContact NH2-OE2 3.35Å; D107-E115 HydrophobicContact CB-CB 4.31Å; G111-E115 WeakPolarHBondContact CA-OE2 3.48Å; T112-E115 PolarHBondContact N-OE2 3.34Å; T112-E115 VanDerWaalsContact N-OE2 3.11Å; T112-E115 PolarHBondContact O-N 3.5Å; T112-E115 WeakPolarHBondContact OG1-CG 3.34Å; T112-E115 PolarHBondContact OG1-N 3.5Å; A113-E115 PolarHBondContact O-N 2.95Å
116	R	97	Very high	96.1	Very high	17 Å²	17	27.1 Å²	27.1	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-86	-29.8	177	-73.1	-174.8	-176.5	83.4	-7.1	113.1	D107 V108 G111 T112 A113 L119 V120 V203 E214	D107-R116 VanDerWaalsContact O-CG 3.32Å; D107-R116 WeakPolarHBondContact O-CG 3.48Å; D107-R116 PolarHBondContact O-NE 2.9Å; V108-R116 VanDerWaalsContact O-CZ 3.27Å; V108-R116 PolarHBondContact O-NE 3.37Å; V108-R116 PolarHBondContact O-NH2 2.91Å; G111-R116 PolarHBondContact O-NH1 3Å; T112-R116 WeakPolarHBondContact O-CG 3.44Å; T112-R116 PolarHBondContact O-N 3.37Å; T112-R116 PolarHBondContact O-NH1 3.27Å; A113-R116 PolarHBondContact O-N 2.95Å; A113-R116 VanDerWaalsContact O-N 3.1Å; R116-L119 WeakPolarHBondContact O-CB 3.36Å; R116-L119 PolarHBondContact O-N 3.36Å; R116-L119 VanDerWaalsContact O-N 3.09Å; R116-V120 WeakPolarHBondContact O-CG2 3.45Å; R116-V120 PolarHBondContact O-N 2.81Å; R116-V203 HydrophobicContact CB-CG1 4.2Å; R116-E214 IonicContact NH2-OE1 2.83Å; R116-E214 PolarHBondContact NH2-OE1 3.05Å
117	A	97.1	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-42.3	-176.1	0	0	0	0	0	113.8	A113 L119 V120 M121 L196 L199 E200	A113-A117 WeakPolarHBondContact O-CB 3.44Å; A113-A117 PolarHBondContact O-N 3.31Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 2.97Å; A117-V120 PolarHBondContact O-N 3.35Å; A117-M121 WeakPolarHBondContact O-CB 3.25Å; A117-M121 PolarHBondContact O-N 2.88Å; A117-L196 HydrophobicContact CB-CD1 3.75Å; A117-L199 HydrophobicContact CB-CB 4.32Å; A117-E200 HydrophobicContact CB-CB 3.8Å
118	P	96.1	Very high	95.6	Very high	55 Å²	55	32 Å²	32	36%	0.357	18%	0.184	S	C	.	.	H	α-helix	trans	-60.7	-39.8	174	-23.8	33.6	0	0	0	112.6	E114 M121 A122 L196	E114-P118 WeakPolarHBondContact O-CD 3.37Å; P118-M121 PolarHBondContact O-N 3.19Å; P118-A122 WeakPolarHBondContact O-CB 3.18Å; P118-A122 PolarHBondContact O-N 3.3Å; P118-L196 HydrophobicContact CB-CD1 4.45Å; P118-L196 HydrophobicContact CG-CD1 3.97Å
119	L	97.5	Very high	95	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-44.7	177.4	-56.6	-178.5	0	0	0	111.1	I80 F104 D107 V108 R116 A117 M121 A122 M123	I80-L119 HydrophobicContact CD1-CD2 3.99Å; I80-L119 HydrophobicContact CG1-CD2 3.87Å; F104-L119 HydrophobicContact CD2-CD1 3.93Å; F104-L119 HydrophobicContact CD2-CD2 4Å; F104-L119 HydrophobicContact CE2-CD1 4.17Å; F104-L119 HydrophobicContact CE2-CD2 4.45Å; D107-L119 HydrophobicContact CB-CD1 3.76Å; V108-L119 HydrophobicContact CG2-CD1 3.72Å; R116-L119 WeakPolarHBondContact O-CB 3.36Å; R116-L119 PolarHBondContact O-N 3.36Å; R116-L119 VanDerWaalsContact O-N 3.09Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 2.97Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.29Å; L119-A122 PolarHBondContact O-N 3.32Å; L119-M123 HydrophobicContact CB-CE 3.86Å; L119-M123 VanDerWaalsContact O-CB 3.3Å; L119-M123 WeakPolarHBondContact O-CB 3.36Å; L119-M123 WeakPolarHBondContact O-CE 3.48Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.43Å; L119-M123 PolarHBondContact O-N 2.71Å
120	V	97.8	Very high	94.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-41	175.8	169.3	0	0	0	0	110.9	R116 A117 M123 S124 F142 L199 W202 V203 V209 L213	R116-V120 WeakPolarHBondContact O-CG2 3.45Å; R116-V120 PolarHBondContact O-N 2.81Å; A117-V120 PolarHBondContact O-N 3.35Å; V120-M123 PolarHBondContact O-N 2.86Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3Å; V120-S124 PolarHBondContact O-OG 3.44Å; V120-F142 HydrophobicContact CG1-CD1 4.38Å; V120-F142 HydrophobicContact CG1-CE1 3.92Å; V120-F142 HydrophobicContact CG1-CZ 4.49Å; V120-F142 HydrophobicContact CG2-CE1 4.37Å; V120-F142 HydrophobicContact CG2-CZ 4.28Å; V120-L199 HydrophobicContact CG1-CD1 4.46Å; V120-W202 HydrophobicContact CG1-CZ3 3.95Å; V120-V203 HydrophobicContact CG2-CG2 4.08Å; V120-V209 HydrophobicContact CG2-CG1 4.32Å; V120-L213 HydrophobicContact CG2-CD1 4.01Å
121	M	97.6	Very high	94.5	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-49.1	175.9	-174.4	179.4	-86.8	0	0	111.3	A117 P118 L119 S124 H125 P131 V134 D195 L196 L199	A117-M121 WeakPolarHBondContact O-CB 3.25Å; A117-M121 PolarHBondContact O-N 2.88Å; P118-M121 PolarHBondContact O-N 3.19Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.29Å; M121-S124 PolarHBondContact O-N 3.4Å; M121-H125 WeakPolarHBondContact O-CB 3.1Å; M121-H125 PolarHBondContact O-N 3.49Å; M121-P131 HydrophobicContact CG-CG 3.8Å; M121-P131 HydrophobicContact SD-CG 4.13Å; M121-V134 HydrophobicContact CG-CG1 4.08Å; M121-D195 VanDerWaalsContact CE-C 3.45Å; M121-L196 VanDerWaalsContact CE-CA 3.46Å; M121-L196 HydrophobicContact CE-CB 3.79Å; M121-L196 HydrophobicContact CE-CD1 4.31Å; M121-L199 HydrophobicContact CB-CD1 3.68Å; M121-L199 HydrophobicContact CE-CD1 4.04Å; M121-L199 HydrophobicContact CG-CD1 4.11Å
122	A	97.3	Very high	94.4	Very high	7 Å²	7	45.3 Å²	45.3	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-44.6	177.7	0	0	0	0	0	112.2	S79 P118 L119 S124 H125 N126	S79-A122 VanDerWaalsContact CB-CB 3.5Å; S79-A122 WeakPolarHBondContact OG-CB 3.32Å; P118-A122 WeakPolarHBondContact O-CB 3.18Å; P118-A122 PolarHBondContact O-N 3.3Å; L119-A122 PolarHBondContact O-N 3.32Å; A122-S124 VanDerWaalsContact C-N 3.31Å; A122-S124 PolarHBondContact O-N 2.93Å; A122-H125 PolarHBondContact O-N 3.16Å; A122-N126 PolarHBondContact O-N 3.25Å
123	M	98.1	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-32.7	176.8	-73.6	-172.6	-77.2	0	0	112.6	M69 R72 L119 V120 F142 L213	M69-M123 HydrophobicContact CE-SD 3.74Å; R72-M123 HydrophobicContact CB-CB 4.12Å; R72-M123 HydrophobicContact CB-CG 4.2Å; R72-M123 WeakPolarHBondContact CD-O 3.38Å; R72-M123 VanDerWaalsContact CG-O 3.32Å; R72-M123 WeakPolarHBondContact CG-O 3.49Å; R72-M123 PolarHBondContact NH1-O 2.8Å; R72-M123 WeakPolarHBondContact O-CG 3.26Å; L119-M123 HydrophobicContact CB-CE 3.86Å; L119-M123 VanDerWaalsContact O-CB 3.3Å; L119-M123 WeakPolarHBondContact O-CB 3.36Å; L119-M123 WeakPolarHBondContact O-CE 3.48Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.43Å; L119-M123 PolarHBondContact O-N 2.71Å; V120-M123 PolarHBondContact O-N 2.86Å; M123-F142 HydrophobicContact CB-CD2 3.71Å; M123-F142 HydrophobicContact CB-CE2 3.7Å; M123-F142 HydrophobicContact CE-CE2 4.13Å; M123-F142 HydrophobicContact CE-CZ 4.34Å; M123-F142 HydrophobicContact CG-CE2 4.42Å; M123-F142 HydrophobicContact SD-CE2 3.95Å; M123-L213 HydrophobicContact CE-CD1 4.31Å; M123-L213 HydrophobicContact CE-CD2 3.63Å; M123-L213 HydrophobicContact SD-CD2 4.13Å
124	S	98	Very high	94.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-72.1	-42.9	175	-60.4	0	0	0	0	111.7	R72 V120 M121 A122	R72-S124 PolarHBondContact NH1-O 3.36Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3Å; V120-S124 PolarHBondContact O-OG 3.44Å; M121-S124 PolarHBondContact O-N 3.4Å; A122-S124 VanDerWaalsContact C-N 3.31Å; A122-S124 PolarHBondContact O-N 2.93Å
125	H	96.8	Very high	94.3	Very high	55 Å²	55	38.8 Å²	38.8	26%	0.255	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-40.7	176.3	-176.7	64.3	0	0	0	112.7	M121 A122 A127 P131 V134	M121-H125 WeakPolarHBondContact O-CB 3.1Å; M121-H125 PolarHBondContact O-N 3.49Å; A122-H125 PolarHBondContact O-N 3.16Å; H125-A127 VanDerWaalsContact C-N 3.32Å; H125-A127 PolarHBondContact O-N 3.29Å; H125-P131 HydrophobicContact CB-CB 4.26Å; H125-P131 HydrophobicContact CB-CG 3.72Å; H125-V134 HydrophobicContact CB-CG1 3.89Å
126	N	95.8	Very high	94.3	Very high	53 Å²	53	39.3 Å²	39.3	28%	0.283	23%	0.233	S	C	.	.			trans	56.5	37.9	173.2	-166.6	35.9	0	0	0	114.7	R72 A122	R72-N126 HydrophobicContact CG-CB 4.12Å; R72-N126 VanDerWaalsContact CG-OD1 3.31Å; R72-N126 WeakPolarHBondContact CG-OD1 3.41Å; A122-N126 PolarHBondContact O-N 3.25Å
127	A	92.6	Very high	94.3	Very high	42 Å²	42	46.1 Å²	46.1	35%	0.347	27%	0.265	S	S	.	.	S	Bend	trans	-151.3	171.2	176.5	0	0	0	0	0	110.3	H125	H125-A127 VanDerWaalsContact C-N 3.32Å; H125-A127 PolarHBondContact O-N 3.29Å
128	A	87.3	Confident	94.3	Very high	71 Å²	71	49 Å²	49	59%	0.587	28%	0.279	S	S	*	.	S	Bend	trans	-65.7	141	174.8	0	0	0	0	0	111.8	W75	W75-A128 HydrophobicContact CE3-CB 4.37Å; W75-A128 HydrophobicContact CH2-CB 3.7Å; W75-A128 VanDerWaalsContact CZ3-CA 3.49Å; W75-A128 HydrophobicContact CZ3-CB 3.57Å
129	G	83.1	Confident	94.4	Very high	46 Å²	46	46.4 Å²	46.4	47%	0.474	26%	0.262	S	S	.	.	S	Bend	trans	113.6	177.2	176.4	0	0	0	0	0	113.5	P131	G129-P131 WeakPolarHBondContact O-CD 3.34Å
130	W	84.9	Confident	94.4	Very high	156 Å²	156	47.1 Å²	47.1	59%	0.591	27%	0.268	S	S	*	.			trans	-113	94.5	179.2	-60.7	-75.5	0	0	0	110	S79 E81	S79-W130 PolarHBondContact O-NE1 3.02Å; E81-W130 HydrophobicContact CG-CZ2 3.8Å; E81-W130 WeakPolarHBondContact OE1-CH2 3.49Å; E81-W130 WeakPolarHBondContact OE1-CZ2 3.45Å
131	P	90	Very high	94.4	Very high	25 Å²	25	48.9 Å²	48.9	16%	0.162	28%	0.283	C	S	.	.			trans	-63.3	144.3	176.9	31.4	-39.5	0	0	0	110.1	M121 H125 G129 V134	M121-P131 HydrophobicContact CG-CG 3.8Å; M121-P131 HydrophobicContact SD-CG 4.13Å; H125-P131 HydrophobicContact CB-CB 4.26Å; H125-P131 HydrophobicContact CB-CG 3.72Å; G129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-V134 HydrophobicContact CB-CG1 4.34Å; P131-V134 HydrophobicContact CG-CG1 4.33Å
132	Q	91	Very high	94.5	Very high	166 Å²	166	48.2 Å²	48.2	78%	0.776	28%	0.28	S	S	*	.	S	Bend	trans	-85.5	-23.6	169.4	-63.4	-60.6	-55.1	0	0	111.9
133	A	94.9	Very high	94.5	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.7	176	0	0	0	0	0	110.3	C194	A133-C194 CarbonylContact C-O 3.54Å; A133-C194 VanDerWaalsContact CA-O 3.25Å; A133-C194 WeakPolarHBondContact CA-O 3.39Å; A133-C194 WeakPolarHBondContact CB-O 3.38Å
134	V	96.7	Very high	94.6	Very high	1 Å²	1	51 Å²	51	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.9	174.6	-68.7	0	0	0	0	110.2	M121 H125 P131 Q138 V139 T193 C194 L199	M121-V134 HydrophobicContact CG-CG1 4.08Å; H125-V134 HydrophobicContact CB-CG1 3.89Å; P131-V134 HydrophobicContact CB-CG1 4.34Å; P131-V134 HydrophobicContact CG-CG1 4.33Å; V134-Q138 HydrophobicContact CB-CB 4.33Å; V134-V139 HydrophobicContact CG2-CG2 3.76Å; V134-T193 CarbonylContact O-C 3.5Å; V134-T193 WeakPolarHBondContact O-CA 3.25Å; V134-C194 HydrophobicContact CG2-CB 4.37Å; V134-C194 PolarHBondContact N-O 2.93Å; V134-C194 PolarHBondContact O-N 2.92Å; V134-L199 HydrophobicContact CG2-CD1 3.99Å
135	S	96.5	Very high	94.6	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	154.9	176.9	74.9	0	0	0	0	111.9	Q137 Q138 V139 T192	S135-Q137 PolarHBondContact O-N 3.06Å; S135-Q138 WeakPolarHBondContact O-CB 3.35Å; S135-Q138 PolarHBondContact O-N 3.46Å; S135-Q138 WeakPolarHBondContact OG-CG 3.23Å; S135-Q138 PolarHBondContact OG-N 2.73Å; S135-Q138 VanDerWaalsContact OG-N 3.15Å; S135-V139 PolarHBondContact O-N 2.96Å; S135-V139 VanDerWaalsContact O-N 3.17Å; S135-T192 WeakPolarHBondContact CA-O 3.46Å
136	C	95.1	Very high	94.7	Very high	40 Å²	40	49.7 Å²	49.7	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-33	173.6	-66.7	0	0	0	0	111.9	V139 A140 T192 C194	C136-V139 PolarHBondContact O-N 3.39Å; C136-A140 PolarHBondContact O-N 3.36Å; C136-T192 PolarHBondContact N-O 2.87Å; C136-C194 VanDerWaalsContact SG-SG 3.67Å
137	Q	95.8	Very high	94.8	Very high	160 Å²	160	47.1 Å²	47.1	75%	0.748	27%	0.272	S	S	*	.	H	α-helix	trans	-66.5	-36.6	175.5	-171.9	-178.7	5	0	0	112.4	S135 A140 A141	S135-Q137 PolarHBondContact O-N 3.06Å; Q137-A140 PolarHBondContact O-N 3.08Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 2.8Å
138	Q	97.6	Very high	95.1	Very high	61 Å²	61	47 Å²	47	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-66.1	-39.2	174.6	-76.9	174.9	-55.6	0	0	111.7	V134 S135 A141 F142	V134-Q138 HydrophobicContact CB-CB 4.33Å; S135-Q138 WeakPolarHBondContact O-CB 3.35Å; S135-Q138 PolarHBondContact O-N 3.46Å; S135-Q138 WeakPolarHBondContact OG-CG 3.23Å; S135-Q138 PolarHBondContact OG-N 2.73Å; S135-Q138 VanDerWaalsContact OG-N 3.15Å; Q138-A141 PolarHBondContact O-N 3.04Å; Q138-F142 PolarHBondContact O-N 2.88Å
139	V	97.9	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-44.5	174.9	-176.7	0	0	0	0	110.8	V134 S135 C136 A141 F142 L143 T183 L186 L199 W202	V134-V139 HydrophobicContact CG2-CG2 3.76Å; S135-V139 PolarHBondContact O-N 2.96Å; S135-V139 VanDerWaalsContact O-N 3.17Å; C136-V139 PolarHBondContact O-N 3.39Å; V139-A141 PolarHBondContact O-N 3.24Å; V139-F142 WeakPolarHBondContact O-CB 3.49Å; V139-F142 PolarHBondContact O-N 3.45Å; V139-L143 PolarHBondContact O-N 3.11Å; V139-T183 HydrophobicContact CG1-CG2 4.25Å; V139-L186 HydrophobicContact CB-CD1 4.24Å; V139-L186 HydrophobicContact CG1-CD1 4.02Å; V139-L199 HydrophobicContact CG2-CD2 3.96Å; V139-W202 HydrophobicContact CG1-CH2 3.71Å; V139-W202 HydrophobicContact CG1-CZ2 4.36Å; V139-W202 HydrophobicContact CG1-CZ3 3.8Å
140	A	97.4	Very high	96.4	Very high	20 Å²	20	41.5 Å²	41.5	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-46.7	175.2	0	0	0	0	0	111.7	C136 Q137 F142 L143 E144 T183	C136-A140 PolarHBondContact O-N 3.36Å; Q137-A140 PolarHBondContact O-N 3.08Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.87Å; A140-L143 PolarHBondContact O-N 3.38Å; A140-L143 VanDerWaalsContact O-N 3.1Å; A140-E144 PolarHBondContact O-N 3.07Å; A140-T183 HydrophobicContact CB-CG2 4.03Å
141	A	98.4	Very high	96.9	Very high	36 Å²	36	34.4 Å²	34.4	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-36.3	177.1	0	0	0	0	0	112.7	R72 Q137 Q138 V139 D145	R72-A141 PolarHBondContact NH2-O 3.42Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 2.8Å; Q138-A141 PolarHBondContact O-N 3.04Å; V139-A141 PolarHBondContact O-N 3.24Å; A141-D145 PolarHBondContact O-N 3.19Å; A141-D145 VanDerWaalsContact O-N 3.16Å
142	F	98.7	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-44.6	171.5	154.5	-104.1	0	0	0	111.9	M69 V120 M123 Q138 V139 A140 D145 L146 V209 L213	M69-F142 HydrophobicContact CE-CD2 4.24Å; M69-F142 HydrophobicContact CE-CE2 3.87Å; V120-F142 HydrophobicContact CG1-CD1 4.38Å; V120-F142 HydrophobicContact CG1-CE1 3.92Å; V120-F142 HydrophobicContact CG1-CZ 4.49Å; V120-F142 HydrophobicContact CG2-CE1 4.37Å; V120-F142 HydrophobicContact CG2-CZ 4.28Å; M123-F142 HydrophobicContact CB-CD2 3.71Å; M123-F142 HydrophobicContact CB-CE2 3.7Å; M123-F142 HydrophobicContact CE-CE2 4.13Å; M123-F142 HydrophobicContact CE-CZ 4.34Å; M123-F142 HydrophobicContact CG-CE2 4.42Å; M123-F142 HydrophobicContact SD-CE2 3.95Å; Q138-F142 PolarHBondContact O-N 2.88Å; V139-F142 WeakPolarHBondContact O-CB 3.49Å; V139-F142 PolarHBondContact O-N 3.45Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.87Å; F142-D145 PolarHBondContact O-N 3.5Å; F142-L146 HydrophobicContact CE1-CD2 4.26Å; F142-L146 HydrophobicContact CE2-CB 4.41Å; F142-L146 HydrophobicContact CE2-CD2 4.28Å; F142-L146 HydrophobicContact CZ-CD2 3.76Å; F142-L146 WeakPolarHBondContact O-CB 3.26Å; F142-L146 PolarHBondContact O-N 3.19Å; F142-V209 HydrophobicContact CE1-CG1 4.5Å; F142-L213 HydrophobicContact CE2-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.13Å
143	L	98.6	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-41.3	177.4	-75.6	178.6	0	0	0	112.3	V139 A140 D145 L146 I147 A179 M182 T183 W202 V209	V139-L143 PolarHBondContact O-N 3.11Å; A140-L143 PolarHBondContact O-N 3.38Å; A140-L143 VanDerWaalsContact O-N 3.1Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.05Å; L143-L146 HydrophobicContact CD2-CD2 4.39Å; L143-L146 PolarHBondContact O-N 3.36Å; L143-I147 HydrophobicContact CB-CD1 4.37Å; L143-I147 WeakPolarHBondContact O-CB 3.44Å; L143-I147 WeakPolarHBondContact O-CD1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.25Å; L143-I147 PolarHBondContact O-N 2.92Å; L143-A179 HydrophobicContact CB-CB 3.86Å; L143-M182 HydrophobicContact CD1-CB 3.74Å; L143-M182 HydrophobicContact CD2-CE 3.94Å; L143-T183 HydrophobicContact CD1-CG2 3.54Å; L143-W202 HydrophobicContact CD1-CH2 3.68Å; L143-W202 HydrophobicContact CD1-CZ2 3.55Å; L143-W202 HydrophobicContact CD2-CH2 3.91Å; L143-W202 HydrophobicContact CD2-CZ2 4.36Å; L143-W202 HydrophobicContact CG-CH2 3.97Å; L143-W202 HydrophobicContact CG-CZ2 4.33Å; L143-V209 HydrophobicContact CD2-CG2 4.28Å
144	E	98.8	Very high	97.5	Very high	64 Å²	64	28.3 Å²	28.3	30%	0.299	15%	0.154	S	C	.	.	H	α-helix	trans	-57.9	-46.2	175.3	-72.4	-176.2	-138.7	0	0	111.3	A140 T148 V175 A179	A140-E144 PolarHBondContact O-N 3.07Å; E144-T148 VanDerWaalsContact O-CB 3.27Å; E144-T148 WeakPolarHBondContact O-CB 3.25Å; E144-T148 PolarHBondContact O-N 2.7Å; E144-T148 PolarHBondContact O-OG1 3.49Å; E144-V175 HydrophobicContact CB-CG1 3.9Å; E144-V175 HydrophobicContact CG-CG1 4.1Å; E144-V175 WeakPolarHBondContact O-CG1 3.44Å; E144-A179 HydrophobicContact CG-CB 3.69Å
145	D	98.7	Very high	97.5	Very high	30 Å²	30	30.7 Å²	30.7	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-41.5	176.4	-78.8	-40.2	0	0	0	112.1	T68 M69 R72 A141 F142 L143 A149	T68-D145 VanDerWaalsContact CB-OD1 3.25Å; T68-D145 WeakPolarHBondContact CB-OD1 3.19Å; T68-D145 PolarHBondContact OG1-OD1 3.09Å; M69-D145 HydrophobicContact CB-CB 4.31Å; M69-D145 HydrophobicContact SD-CB 4.01Å; R72-D145 IonicContact CZ-OD2 2.9Å; R72-D145 IonicContact NE-OD2 3.87Å; R72-D145 PolarHBondContact NE-OD2 3.13Å; R72-D145 IonicContact NH2-OD2 2.7Å; R72-D145 PolarHBondContact NH2-OD2 3.08Å; A141-D145 PolarHBondContact O-N 3.19Å; A141-D145 VanDerWaalsContact O-N 3.16Å; F142-D145 PolarHBondContact O-N 3.5Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.05Å; D145-A149 WeakPolarHBondContact O-CB 3.36Å; D145-A149 PolarHBondContact O-N 3.18Å
146	L	98.8	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-48.2	179.6	178.1	60.8	0	0	0	111.9	M69 F142 L143 T148 A149 V150 L213 L216	M69-L146 HydrophobicContact CE-CD1 4.4Å; M69-L146 HydrophobicContact SD-CB 4.1Å; M69-L146 HydrophobicContact SD-CD1 4.46Å; F142-L146 HydrophobicContact CE1-CD2 4.26Å; F142-L146 HydrophobicContact CE2-CB 4.41Å; F142-L146 HydrophobicContact CE2-CD2 4.28Å; F142-L146 HydrophobicContact CZ-CD2 3.76Å; F142-L146 WeakPolarHBondContact O-CB 3.26Å; F142-L146 PolarHBondContact O-N 3.19Å; L143-L146 HydrophobicContact CD2-CD2 4.39Å; L143-L146 PolarHBondContact O-N 3.36Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 2.68Å; L146-A149 WeakPolarHBondContact O-CB 3.3Å; L146-A149 PolarHBondContact O-N 2.85Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 3.38Å; L146-L213 HydrophobicContact CD1-CD2 4.05Å; L146-L213 HydrophobicContact CD2-CD2 4.12Å; L146-L213 HydrophobicContact CD2-CG 4.14Å; L146-L216 HydrophobicContact CD1-CB 4.1Å; L146-L216 HydrophobicContact CD1-CD2 3.71Å; L146-L216 HydrophobicContact CD1-CG 4.47Å
147	I	98.7	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-43.5	178.5	-63.7	159.9	0	0	0	109.4	L143 A149 V150 V151 V175 L178 A179 M182 Y212 P252	L143-I147 HydrophobicContact CB-CD1 4.37Å; L143-I147 WeakPolarHBondContact O-CB 3.44Å; L143-I147 WeakPolarHBondContact O-CD1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.25Å; L143-I147 PolarHBondContact O-N 2.92Å; I147-A149 VanDerWaalsContact C-N 3.31Å; I147-A149 PolarHBondContact O-N 3.5Å; I147-V150 PolarHBondContact O-N 2.99Å; I147-V151 HydrophobicContact CG2-CG2 4.47Å; I147-V151 WeakPolarHBondContact O-CG2 3.34Å; I147-V151 PolarHBondContact O-N 3.39Å; I147-V175 HydrophobicContact CB-CG1 4.38Å; I147-V175 HydrophobicContact CG2-CB 4.46Å; I147-V175 HydrophobicContact CG2-CG1 4.49Å; I147-V175 HydrophobicContact CG2-CG2 3.95Å; I147-L178 HydrophobicContact CD1-CB 4.02Å; I147-L178 HydrophobicContact CD1-CD2 3.96Å; I147-L178 HydrophobicContact CD1-CG 3.74Å; I147-L178 HydrophobicContact CG1-CD2 4.23Å; I147-L178 HydrophobicContact CG2-CD2 4.03Å; I147-A179 HydrophobicContact CD1-CB 4.06Å; I147-M182 HydrophobicContact CD1-SD 4.18Å; I147-Y212 HydrophobicContact CG1-CD2 4.14Å; I147-Y212 HydrophobicContact CG1-CE2 4.03Å; I147-P252 HydrophobicContact CG2-CB 4.23Å; I147-P252 HydrophobicContact CG2-CG 4.24Å
148	T	98.5	Very high	97	Very high	40 Å²	40	34.1 Å²	34.1	25%	0.245	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-44.9	175	-58.7	0	0	0	0	111.2	P66 E144 L146 V151 H152	P66-T148 HydrophobicContact CG-CG2 3.91Å; E144-T148 VanDerWaalsContact O-CB 3.27Å; E144-T148 WeakPolarHBondContact O-CB 3.25Å; E144-T148 PolarHBondContact O-N 2.7Å; E144-T148 PolarHBondContact O-OG1 3.49Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 2.68Å; T148-V151 PolarHBondContact O-N 3.27Å; T148-H152 WeakPolarHBondContact O-CB 3.35Å; T148-H152 PolarHBondContact O-CD2 3.47Å; T148-H152 VanDerWaalsContact O-CD2 3.27Å; T148-H152 PolarHBondContact O-N 2.67Å
149	A	98.4	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-44.2	176.3	0	0	0	0	0	112.5	V65 P66 M69 D145 L146 I147 H152 I153 L216	V65-A149 HydrophobicContact CG1-CB 4Å; P66-A149 HydrophobicContact CG-CB 4.46Å; M69-A149 HydrophobicContact CB-CB 4Å; M69-A149 HydrophobicContact CG-CB 3.81Å; D145-A149 WeakPolarHBondContact O-CB 3.36Å; D145-A149 PolarHBondContact O-N 3.18Å; L146-A149 WeakPolarHBondContact O-CB 3.3Å; L146-A149 PolarHBondContact O-N 2.85Å; I147-A149 VanDerWaalsContact C-N 3.31Å; I147-A149 PolarHBondContact O-N 3.5Å; A149-H152 PolarHBondContact O-N 3.33Å; A149-I153 WeakPolarHBondContact O-CB 3.32Å; A149-I153 VanDerWaalsContact O-CG1 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 2.89Å; A149-L216 HydrophobicContact CB-CD1 3.95Å
150	V	98	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-46.5	176.3	170.4	0	0	0	0	111.1	L146 I147 H152 I153 L154 Y212 V215 L233 M255	L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 3.38Å; I147-V150 PolarHBondContact O-N 2.99Å; V150-H152 VanDerWaalsContact C-N 3.32Å; V150-H152 PolarHBondContact O-N 3.12Å; V150-I153 PolarHBondContact O-N 3.4Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.28Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.94Å; V150-Y212 HydrophobicContact CG2-CD1 4.41Å; V150-Y212 HydrophobicContact CG2-CG 4.17Å; V150-V215 HydrophobicContact CG1-CG1 4.27Å; V150-V215 HydrophobicContact CG2-CB 4.44Å; V150-V215 HydrophobicContact CG2-CG1 4.35Å; V150-L233 HydrophobicContact CG1-CD1 3.55Å; V150-M255 HydrophobicContact CG1-CE 3.78Å; V150-M255 HydrophobicContact CG1-SD 4.39Å
151	V	97.4	Very high	96.4	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.4	174.8	0	0	0	0	111.5	I147 T148 L154 T155 T171 V251 P252 M255	I147-V151 HydrophobicContact CG2-CG2 4.47Å; I147-V151 WeakPolarHBondContact O-CG2 3.34Å; I147-V151 PolarHBondContact O-N 3.39Å; T148-V151 PolarHBondContact O-N 3.27Å; V151-L154 PolarHBondContact O-N 3.36Å; V151-T155 WeakPolarHBondContact O-CB 3.24Å; V151-T155 PolarHBondContact O-N 3.2Å; V151-T155 PolarHBondContact O-OG1 3.23Å; V151-T171 HydrophobicContact CG1-CG2 3.93Å; V151-V251 HydrophobicContact CG1-CB 4.3Å; V151-V251 HydrophobicContact CG1-CG1 4.3Å; V151-V251 HydrophobicContact CG2-CB 4.33Å; V151-V251 HydrophobicContact CG2-CG1 3.96Å; V151-P252 HydrophobicContact CG2-CG 4.01Å; V151-M255 HydrophobicContact CG2-SD 4.37Å
152	H	96.9	Very high	96.3	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.417	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-46.5	175.7	-81.5	-147.9	0	0	0	111.7	L64 T148 A149 V150 T155 R156	L64-H152 WeakPolarHBondContact O-CB 3.41Å; T148-H152 WeakPolarHBondContact O-CB 3.35Å; T148-H152 PolarHBondContact O-CD2 3.47Å; T148-H152 VanDerWaalsContact O-CD2 3.27Å; T148-H152 PolarHBondContact O-N 2.67Å; A149-H152 PolarHBondContact O-N 3.33Å; V150-H152 VanDerWaalsContact C-N 3.32Å; V150-H152 PolarHBondContact O-N 3.12Å; H152-T155 PolarHBondContact O-N 2.92Å; H152-R156 WeakPolarHBondContact O-CB 3.3Å; H152-R156 VanDerWaalsContact O-CG 3.22Å; H152-R156 WeakPolarHBondContact O-CG 3.45Å; H152-R156 PolarHBondContact O-N 2.92Å
153	I	96.1	Very high	96.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-50.6	177.2	-73	167.8	0	0	0	110.4	V65 A149 V150 T155 R156 R157 V215 L216 E219	V65-I153 HydrophobicContact CG2-CD1 4.04Å; V65-I153 HydrophobicContact CG2-CG1 4.22Å; A149-I153 WeakPolarHBondContact O-CB 3.32Å; A149-I153 VanDerWaalsContact O-CG1 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 2.89Å; V150-I153 PolarHBondContact O-N 3.4Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.4Å; I153-R156 PolarHBondContact O-N 3.5Å; I153-R157 HydrophobicContact CG2-CG 4.2Å; I153-R157 VanDerWaalsContact O-CB 3.25Å; I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 WeakPolarHBondContact O-CG 3.46Å; I153-R157 PolarHBondContact O-N 3.03Å; I153-V215 HydrophobicContact CG2-CG1 4.01Å; I153-L216 HydrophobicContact CD1-CD1 4.15Å; I153-E219 HydrophobicContact CG2-CB 3.43Å; I153-E219 VanDerWaalsContact CG2-CB 3.43Å; I153-E219 HydrophobicContact CG2-CG 4.17Å
154	L	95.4	Very high	96	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-41.9	179.5	-69.1	175.9	0	0	0	111.3	V150 V151 G158 R159 L160 L233 L234 M255	V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.28Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.94Å; V151-L154 PolarHBondContact O-N 3.36Å; L154-G158 PolarHBondContact O-N 2.82Å; L154-R159 HydrophobicContact CD2-CB 3.8Å; L154-R159 PolarHBondContact O-N 2.92Å; L154-L160 HydrophobicContact CB-CD2 4.32Å; L154-L233 HydrophobicContact CD1-CB 4.41Å; L154-L233 HydrophobicContact CD1-CD1 4.24Å; L154-L234 HydrophobicContact CD1-CD1 4.06Å; L154-L234 HydrophobicContact CD1-CG 4.33Å; L154-M255 HydrophobicContact CD1-SD 4.26Å
155	T	94.8	Very high	95.8	Very high	51 Å²	51	44 Å²	44	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-50.1	178	-57.8	0	0	0	0	111.6	V151 H152 I153 G158 L160	V151-T155 WeakPolarHBondContact O-CB 3.24Å; V151-T155 PolarHBondContact O-N 3.2Å; V151-T155 PolarHBondContact O-OG1 3.23Å; H152-T155 PolarHBondContact O-N 2.92Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.4Å; T155-G158 PolarHBondContact O-N 3.41Å; T155-L160 HydrophobicContact CG2-CD1 4.21Å
156	R	94.4	Very high	95.5	Very high	158 Å²	158	50 Å²	50	60%	0.596	25%	0.25	S	S	*	.	H	α-helix	trans	-76.3	-28	-173.3	-64.1	-66.3	-72.5	-88.6	-4.4	113.4	A63 L64 H152 I153 G158	A63-R156 PolarHBondContact O-NH1 2.87Å; A63-R156 PolarHBondContact O-NH2 3.34Å; A63-R156 VanDerWaalsContact O-NH2 3.11Å; L64-R156 HydrophobicContact CD2-CB 3.61Å; L64-R156 HydrophobicContact CD2-CG 4.46Å; H152-R156 WeakPolarHBondContact O-CB 3.3Å; H152-R156 VanDerWaalsContact O-CG 3.22Å; H152-R156 WeakPolarHBondContact O-CG 3.45Å; H152-R156 PolarHBondContact O-N 2.92Å; I153-R156 PolarHBondContact O-N 3.5Å; R156-G158 VanDerWaalsContact C-N 3.32Å
157	R	91.9	Very high	95.4	Very high	85 Å²	85	52.5 Å²	52.5	32%	0.321	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.3	173.6	-65.2	-70.4	-168.4	156	5.1	113	L64 I153 R159 E219 D222	L64-R157 HydrophobicContact CD2-CG 4.44Å; I153-R157 HydrophobicContact CG2-CG 4.2Å; I153-R157 VanDerWaalsContact O-CB 3.25Å; I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 WeakPolarHBondContact O-CG 3.46Å; I153-R157 PolarHBondContact O-N 3.03Å; R157-R159 HydrophobicContact CB-CG 4.21Å; R157-R159 PolarHBondContact O-N 2.95Å; R157-E219 PolarHBondContact NE-O 2.96Å; R157-E219 PolarHBondContact NH2-O 2.8Å; R157-D222 IonicContact CZ-OD1 2.65Å; R157-D222 VanDerWaalsContact CZ-OD1 3.31Å; R157-D222 IonicContact NH1-OD1 3.14Å; R157-D222 PolarHBondContact NH1-OD1 2.94Å; R157-D222 IonicContact NH2-OD1 2.91Å; R157-D222 PolarHBondContact NH2-OD1 2.8Å
158	G	92.1	Very high	95.3	Very high	63 Å²	63	53.4 Å²	53.4	65%	0.649	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	29.3	177.4	0	0	0	0	0	114.3	L154 T155 R156	L154-G158 PolarHBondContact O-N 2.82Å; T155-G158 PolarHBondContact O-N 3.41Å; R156-G158 VanDerWaalsContact C-N 3.32Å
159	R	92.5	Very high	95	Very high	80 Å²	80	52.6 Å²	52.6	30%	0.302	27%	0.266	S	S	.	.			trans	-100.8	25.9	-176	-63.1	-165.1	173.1	177.9	6.6	114	L154 R157 Q161 E219	L154-R159 HydrophobicContact CD2-CB 3.8Å; L154-R159 PolarHBondContact O-N 2.92Å; R157-R159 HydrophobicContact CB-CG 4.21Å; R157-R159 PolarHBondContact O-N 2.95Å; R159-Q161 PolarHBondContact O-N 3.47Å; R159-E219 IonicContact CZ-OE1 3.45Å; R159-E219 IonicContact CZ-OE2 2.72Å; R159-E219 VanDerWaalsContact CZ-OE2 3.3Å; R159-E219 IonicContact NE-OE2 2.86Å; R159-E219 IonicContact NH1-OE1 2.69Å; R159-E219 PolarHBondContact NH1-OE1 3.47Å; R159-E219 IonicContact NH1-OE2 3.86Å; R159-E219 IonicContact NH2-OE1 3.08Å; R159-E219 PolarHBondContact NH2-OE1 2.84Å; R159-E219 IonicContact NH2-OE2 2.99Å; R159-E219 PolarHBondContact NH2-OE2 3.39Å; R159-E219 VanDerWaalsContact NH2-OE2 3.11Å
160	L	94.1	Very high	95	Very high	22 Å²	22	57.6 Å²	57.6	12%	0.115	29%	0.293	C	S	.	.	S	Bend	trans	-78.6	-1.2	178.6	-65.7	168.6	0	0	0	113.3	L154 T155 G162 W163 P165 L234 V251	L154-L160 HydrophobicContact CB-CD2 4.32Å; T155-L160 HydrophobicContact CG2-CD1 4.21Å; L160-G162 PolarHBondContact O-N 3.34Å; L160-W163 WeakPolarHBondContact CB-O 3.49Å; L160-W163 VanDerWaalsContact O-CB 3.25Å; L160-W163 WeakPolarHBondContact O-CB 3.45Å; L160-W163 PolarHBondContact O-N 3.25Å; L160-P165 HydrophobicContact CD1-CG 3.63Å; L160-P165 HydrophobicContact CD2-CG 4Å; L160-P165 HydrophobicContact CG-CG 4.45Å; L160-L234 HydrophobicContact CD2-CD1 4.17Å; L160-V251 HydrophobicContact CD2-CG2 4.22Å
161	Q	94.2	Very high	94.9	Very high	84 Å²	84	59.5 Å²	59.5	39%	0.393	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	32.4	171.9	-57.4	-62.6	-27.8	0	0	114.7	R159 L234 Q236 C237	R159-Q161 PolarHBondContact O-N 3.47Å; Q161-L234 HydrophobicContact CG-CB 4.35Å; Q161-Q236 HydrophobicContact CB-CG 4.39Å; Q161-C237 PolarHBondContact O-N 3.23Å
162	G	94.5	Very high	94.9	Very high	36 Å²	36	62.1 Å²	62.1	37%	0.371	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-14	-178.5	0	0	0	0	0	114.9	L160 W242	L160-G162 PolarHBondContact O-N 3.34Å; G162-W242 PolarHBondContact O-NE1 3.1Å
163	W	96.4	Very high	95	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.019	32%	0.324	C	S	.	.			trans	-69.3	146.8	174.4	-62.6	99.1	0	0	0	112.1	L160 M168 P235 C237 W242 L254 W269 W412	L160-W163 WeakPolarHBondContact CB-O 3.49Å; L160-W163 VanDerWaalsContact O-CB 3.25Å; L160-W163 WeakPolarHBondContact O-CB 3.45Å; L160-W163 PolarHBondContact O-N 3.25Å; W163-M168 HydrophobicContact CB-CE 4.37Å; W163-M168 HydrophobicContact CB-SD 3.98Å; W163-M168 HydrophobicContact CD2-CE 4.26Å; W163-M168 HydrophobicContact CE3-CE 3.73Å; W163-M168 HydrophobicContact CE3-SD 4.31Å; W163-M168 HydrophobicContact CZ3-CE 4.42Å; W163-P235 HydrophobicContact CZ2-CG 4.24Å; W163-P235 PolarHBondContact NE1-O 2.73Å; W163-C237 HydrophobicContact CD2-CB 3.79Å; W163-C237 HydrophobicContact CE3-CB 4.39Å; W163-C237 HydrophobicContact CG-CB 4.02Å; W163-C237 HydrophobicContact CZ2-CB 4Å; W163-W242 AromaticContact CE3-CH2 3.99Å; W163-W242 HydrophobicContact CE3-CH2 3.99Å; W163-W242 HydrophobicContact CE3-CZ2 4.27Å; W163-W242 HydrophobicContact CZ3-CH2 4.43Å; W163-L254 HydrophobicContact CD2-CD2 3.59Å; W163-L254 HydrophobicContact CE3-CD2 4.12Å; W163-L254 HydrophobicContact CG-CD2 4.07Å; W163-L254 HydrophobicContact CH2-CD1 4.03Å; W163-L254 HydrophobicContact CH2-CD2 3.99Å; W163-L254 HydrophobicContact CZ2-CD1 4.03Å; W163-L254 HydrophobicContact CZ2-CD2 3.43Å; W163-L254 VanDerWaalsContact CZ2-CD2 3.43Å; W163-L254 HydrophobicContact CZ2-CG 4.37Å; W163-L254 HydrophobicContact CZ3-CD2 4.3Å; W163-W269 HydrophobicContact CH2-CB 4.43Å; W163-W269 AromaticContact CH2-CE3 3.92Å; W163-W269 HydrophobicContact CH2-CE3 3.92Å; W163-W269 HydrophobicContact CZ2-CB 3.99Å; W163-W269 HydrophobicContact CZ2-CD2 4.2Å; W163-W269 HydrophobicContact CZ2-CE3 4.04Å; W163-W269 HydrophobicContact CZ2-CG 4.23Å; W163-W412 HydrophobicContact CH2-CD2 4.48Å; W163-W412 HydrophobicContact CH2-CE3 4.17Å; W163-W412 AromaticContact CH2-CH2 3.87Å; W163-W412 HydrophobicContact CH2-CH2 3.87Å; W163-W412 HydrophobicContact CH2-CZ2 4.18Å; W163-W412 AromaticContact CH2-CZ3 3.86Å; W163-W412 HydrophobicContact CH2-CZ3 3.86Å; W163-W412 AromaticContact CZ3-CH2 3.7Å; W163-W412 HydrophobicContact CZ3-CH2 3.7Å; W163-W412 AromaticContact CZ3-CZ2 3.99Å; W163-W412 HydrophobicContact CZ3-CZ2 3.99Å; W163-W412 HydrophobicContact CZ3-CZ3 4.15Å
164	R	95.3	Very high	95.1	Very high	134 Å²	134	61.3 Å²	61.3	51%	0.506	32%	0.324	S	S	.	.			trans	-122.6	93	-174	-59.7	-64.1	-175.9	168.8	1.1	111.1	Q166 Q167 M168 W242	R164-Q166 PolarHBondContact O-N 3.39Å; R164-Q167 HydrophobicContact CB-CB 4.2Å; R164-Q167 CarbonylContact O-C 3.57Å; R164-Q167 WeakPolarHBondContact O-CA 2.96Å; R164-Q167 PolarHBondContact O-N 2.88Å; R164-M168 VanDerWaalsContact O-CG 3.26Å; R164-M168 WeakPolarHBondContact O-CG 3.05Å; R164-M168 PolarHBondContact O-N 2.89Å; R164-W242 HydrophobicContact CB-CD2 3.95Å; R164-W242 HydrophobicContact CB-CE3 3.85Å; R164-W242 HydrophobicContact CB-CH2 4.25Å; R164-W242 HydrophobicContact CB-CZ2 4.36Å; R164-W242 HydrophobicContact CB-CZ3 3.99Å; R164-W242 HydrophobicContact CG-CD2 3.49Å; R164-W242 VanDerWaalsContact CG-CD2 3.49Å; R164-W242 HydrophobicContact CG-CE3 3.94Å; R164-W242 HydrophobicContact CG-CG 3.76Å; R164-W242 HydrophobicContact CG-CH2 4.47Å; R164-W242 HydrophobicContact CG-CZ2 4.09Å; R164-W242 HydrophobicContact CG-CZ3 4.39Å
165	P	93.6	Very high	95.2	Very high	26 Å²	26	61.1 Å²	61.1	17%	0.169	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-53.1	-29.1	-176.5	-30	35.4	0	0	0	115.1	L160 Q167 M168 V251	L160-P165 HydrophobicContact CD1-CG 3.63Å; L160-P165 HydrophobicContact CD2-CG 4Å; L160-P165 HydrophobicContact CG-CG 4.45Å; P165-Q167 PolarHBondContact O-N 3.25Å; P165-M168 PolarHBondContact O-N 3.39Å; P165-V251 HydrophobicContact CG-CG2 4.15Å
166	Q	93.6	Very high	95.4	Very high	158 Å²	158	63.4 Å²	63.4	74%	0.738	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-69.2	-18.1	177.5	-61.5	77.6	14.5	0	0	113.6	R164	R164-Q166 PolarHBondContact O-N 3.39Å
167	Q	95.7	Very high	95.6	Very high	51 Å²	51	56.3 Å²	56.3	24%	0.238	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-117.6	17.1	-178.3	-71.7	164.2	-25.1	0	0	111.2	R164 P165 W242 L245 T246 V247	R164-Q167 HydrophobicContact CB-CB 4.2Å; R164-Q167 CarbonylContact O-C 3.57Å; R164-Q167 WeakPolarHBondContact O-CA 2.96Å; R164-Q167 PolarHBondContact O-N 2.88Å; P165-Q167 PolarHBondContact O-N 3.25Å; Q167-W242 HydrophobicContact CB-CE3 3.69Å; Q167-W242 HydrophobicContact CB-CZ3 3.87Å; Q167-W242 VanDerWaalsContact CD-O 3.26Å; Q167-W242 HydrophobicContact CG-CE3 4.41Å; Q167-W242 PolarHBondContact NE2-O 3.04Å; Q167-L245 WeakPolarHBondContact CB-O 3.25Å; Q167-T246 CarbonylContact O-C 3.56Å; Q167-T246 VanDerWaalsContact O-CA 3.25Å; Q167-T246 WeakPolarHBondContact O-CA 3.5Å; Q167-V247 PolarHBondContact O-N 2.8Å
168	M	96.6	Very high	95.9	Very high	20 Å²	20	52.4 Å²	52.4	10%	0.099	29%	0.288	C	S	.	.	S	Bend	trans	-110.5	176.4	-179.5	-75.6	177.2	91.2	0	0	110.6	W163 R164 P165 V247 L249 V251	W163-M168 HydrophobicContact CB-CE 4.37Å; W163-M168 HydrophobicContact CB-SD 3.98Å; W163-M168 HydrophobicContact CD2-CE 4.26Å; W163-M168 HydrophobicContact CE3-CE 3.73Å; W163-M168 HydrophobicContact CE3-SD 4.31Å; W163-M168 HydrophobicContact CZ3-CE 4.42Å; R164-M168 VanDerWaalsContact O-CG 3.26Å; R164-M168 WeakPolarHBondContact O-CG 3.05Å; R164-M168 PolarHBondContact O-N 2.89Å; P165-M168 PolarHBondContact O-N 3.39Å; M168-V247 CarbonylContact C-O 3.53Å; M168-V247 HydrophobicContact CB-CG2 4.15Å; M168-V247 HydrophobicContact CG-CG2 3.53Å; M168-L249 VanDerWaalsContact CB-O 3.29Å; M168-L249 WeakPolarHBondContact CB-O 3.29Å; M168-V251 HydrophobicContact CE-CG2 4.17Å; M168-V251 HydrophobicContact SD-CG2 3.97Å
169	G	93.9	Very high	96.2	Very high	23 Å²	23	49.4 Å²	49.4	24%	0.237	26%	0.258	C	S	.	.	S	Bend	trans	-60.1	176.9	174.2	0	0	0	0	0	114.1	T171 V247 L249 D250	G169-T171 PolarHBondContact O-N 3.46Å; G169-V247 PolarHBondContact N-O 3.05Å; G169-L249 PolarHBondContact N-O 3.35Å; G169-D250 WeakPolarHBondContact O-CB 3.42Å
170	N	96.5	Very high	96.5	Very high	105 Å²	105	50.8 Å²	50.8	56%	0.561	27%	0.267	S	S	*	.			trans	-71.1	95.2	-178.6	-177.8	-12.7	0	0	0	112	A172 M173 G174 D250	N170-A172 PolarHBondContact O-N 3.05Å; N170-A172 VanDerWaalsContact O-N 3.11Å; N170-A172 WeakPolarHBondContact OD1-CB 3.3Å; N170-A172 PolarHBondContact OD1-N 3.4Å; N170-A172 VanDerWaalsContact OD1-N 3.09Å; N170-M173 HydrophobicContact CB-CB 4.12Å; N170-M173 WeakPolarHBondContact O-CA 3.46Å; N170-M173 WeakPolarHBondContact O-CB 3.42Å; N170-M173 PolarHBondContact O-N 2.89Å; N170-M173 PolarHBondContact OD1-N 3.09Å; N170-G174 PolarHBondContact O-N 3.11Å; N170-D250 VanDerWaalsContact C-OD2 3.22Å
171	T	97.1	Very high	96.7	Very high	39 Å²	39	51.8 Å²	51.8	24%	0.239	27%	0.271	C	S	.	.	H	α-helix	trans	-51.9	-37.3	-179.5	-61.9	0	0	0	0	113.7	V151 G169 M173 G174 V175 D250 P252	V151-T171 HydrophobicContact CG1-CG2 3.93Å; G169-T171 PolarHBondContact O-N 3.46Å; T171-M173 VanDerWaalsContact C-N 3.29Å; T171-M173 PolarHBondContact O-N 2.8Å; T171-G174 PolarHBondContact O-N 2.65Å; T171-V175 WeakPolarHBondContact O-CG2 3.21Å; T171-V175 PolarHBondContact O-N 3.22Å; T171-D250 WeakPolarHBondContact CA-OD2 3.32Å; T171-D250 PolarHBondContact N-OD2 3.24Å; T171-P252 HydrophobicContact CG2-CG 4.26Å
172	A	97.4	Very high	96.8	Very high	63 Å²	63	47.9 Å²	47.9	52%	0.521	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-31.8	179.1	0	0	0	0	0	112.1	N170	N170-A172 PolarHBondContact O-N 3.05Å; N170-A172 VanDerWaalsContact O-N 3.11Å; N170-A172 WeakPolarHBondContact OD1-CB 3.3Å; N170-A172 PolarHBondContact OD1-N 3.4Å; N170-A172 VanDerWaalsContact OD1-N 3.09Å
173	M	98.1	Very high	96.9	Very high	74 Å²	74	47.4 Å²	47.4	37%	0.365	24%	0.243	S	C	.	.	H	α-helix	trans	-71.9	-44	171.1	-173.6	60	72.6	0	0	110.9	N170 T171 V175 K176 L177 F333	N170-M173 HydrophobicContact CB-CB 4.12Å; N170-M173 WeakPolarHBondContact O-CA 3.46Å; N170-M173 WeakPolarHBondContact O-CB 3.42Å; N170-M173 PolarHBondContact O-N 2.89Å; N170-M173 PolarHBondContact OD1-N 3.09Å; T171-M173 VanDerWaalsContact C-N 3.29Å; T171-M173 PolarHBondContact O-N 2.8Å; M173-V175 VanDerWaalsContact C-N 3.28Å; M173-V175 PolarHBondContact O-N 3.14Å; M173-K176 WeakPolarHBondContact O-CB 3.09Å; M173-K176 PolarHBondContact O-N 2.6Å; M173-K176 VanDerWaalsContact O-N 3.1Å; M173-L177 HydrophobicContact CG-CD1 3.91Å; M173-L177 HydrophobicContact CG-CG 4.27Å; M173-L177 WeakPolarHBondContact O-CG 3.38Å; M173-L177 PolarHBondContact O-N 3.33Å; M173-L177 HydrophobicContact SD-CG 4.5Å; M173-F333 HydrophobicContact CE-CE2 4.32Å; M173-F333 HydrophobicContact CG-CD2 4.19Å; M173-F333 HydrophobicContact CG-CE2 4.25Å; M173-F333 HydrophobicContact SD-CE2 4.16Å
174	G	98.4	Very high	96.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-38.2	175.9	0	0	0	0	0	113.7	N170 T171 K176 L177 L178 D250 P252	N170-G174 PolarHBondContact O-N 3.11Å; T171-G174 PolarHBondContact O-N 2.65Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.11Å; G174-L177 PolarHBondContact O-N 2.91Å; G174-L178 VanDerWaalsContact O-CB 3.3Å; G174-L178 WeakPolarHBondContact O-CB 3.25Å; G174-L178 PolarHBondContact O-N 2.86Å; G174-D250 WeakPolarHBondContact CA-OD2 3.45Å; G174-D250 PolarHBondContact N-OD2 2.91Å; G174-D250 VanDerWaalsContact N-OD2 3.16Å; G174-P252 VanDerWaalsContact C-CB 3.41Å; G174-P252 WeakPolarHBondContact O-CB 3.38Å
175	V	98.7	Very high	96.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-47.8	174.3	166.9	0	0	0	0	110.8	E144 I147 T171 M173 A179 P252	E144-V175 HydrophobicContact CB-CG1 3.9Å; E144-V175 HydrophobicContact CG-CG1 4.1Å; E144-V175 WeakPolarHBondContact O-CG1 3.44Å; I147-V175 HydrophobicContact CB-CG1 4.38Å; I147-V175 HydrophobicContact CG2-CB 4.46Å; I147-V175 HydrophobicContact CG2-CG1 4.49Å; I147-V175 HydrophobicContact CG2-CG2 3.95Å; T171-V175 WeakPolarHBondContact O-CG2 3.21Å; T171-V175 PolarHBondContact O-N 3.22Å; M173-V175 VanDerWaalsContact C-N 3.28Å; M173-V175 PolarHBondContact O-N 3.14Å; V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 2.65Å; V175-P252 HydrophobicContact CG2-CG 3.91Å
176	K	98.5	Very high	96.7	Very high	100 Å²	100	46.9 Å²	46.9	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-48.5	179.4	-67.7	-179.1	177.9	-171.9	0	111.7	M173 G174 L178 A179 E180	M173-K176 WeakPolarHBondContact O-CB 3.09Å; M173-K176 PolarHBondContact O-N 2.6Å; M173-K176 VanDerWaalsContact O-N 3.1Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.11Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.69Å; K176-A179 PolarHBondContact O-N 3.2Å; K176-E180 WeakPolarHBondContact O-CB 3.27Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.34Å; K176-E180 PolarHBondContact O-N 2.78Å
177	L	98.6	Very high	96.7	Very high	9 Å²	9	47 Å²	47	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-42.4	179.2	-70.7	167.4	0	0	0	112.1	M173 G174 Q181 V332 F333 P334 L336	M173-L177 HydrophobicContact CG-CD1 3.91Å; M173-L177 HydrophobicContact CG-CG 4.27Å; M173-L177 WeakPolarHBondContact O-CG 3.38Å; M173-L177 PolarHBondContact O-N 3.33Å; M173-L177 HydrophobicContact SD-CG 4.5Å; G174-L177 PolarHBondContact O-N 2.91Å; L177-Q181 WeakPolarHBondContact O-CB 3.38Å; L177-Q181 PolarHBondContact O-N 2.72Å; L177-V332 WeakPolarHBondContact CD1-O 3.35Å; L177-F333 HydrophobicContact CD1-CD2 4.24Å; L177-F333 HydrophobicContact CD2-CD2 4.5Å; L177-P334 WeakPolarHBondContact CD2-O 3.49Å; L177-L336 HydrophobicContact CB-CB 4.21Å; L177-L336 HydrophobicContact CB-CD2 4.47Å
178	L	98.7	Very high	96.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-42.5	177.8	-178.9	55.2	0	0	0	111.8	I147 G174 K176 E180 Q181 M182 Y212 P252 F256 L336	I147-L178 HydrophobicContact CD1-CB 4.02Å; I147-L178 HydrophobicContact CD1-CD2 3.96Å; I147-L178 HydrophobicContact CD1-CG 3.74Å; I147-L178 HydrophobicContact CG1-CD2 4.23Å; I147-L178 HydrophobicContact CG2-CD2 4.03Å; G174-L178 VanDerWaalsContact O-CB 3.3Å; G174-L178 WeakPolarHBondContact O-CB 3.25Å; G174-L178 PolarHBondContact O-N 2.86Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.69Å; L178-E180 PolarHBondContact O-N 2.93Å; L178-Q181 PolarHBondContact O-N 2.98Å; L178-M182 HydrophobicContact CD1-CG 3.99Å; L178-M182 HydrophobicContact CD1-SD 3.99Å; L178-M182 HydrophobicContact CG-CG 4.42Å; L178-M182 HydrophobicContact CG-SD 3.93Å; L178-M182 WeakPolarHBondContact O-CB 3.48Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.29Å; L178-M182 PolarHBondContact O-N 2.9Å; L178-Y212 HydrophobicContact CD2-CE2 4.32Å; L178-P252 HydrophobicContact CB-CB 4.32Å; L178-P252 HydrophobicContact CD2-CB 4.09Å; L178-F256 HydrophobicContact CD1-CB 3.94Å; L178-F256 HydrophobicContact CD1-CD2 4.1Å; L178-F256 HydrophobicContact CD1-CG 4.39Å; L178-L336 HydrophobicContact CB-CD2 4.26Å; L178-L336 HydrophobicContact CD1-CD2 4.21Å
179	A	98.5	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-43.7	175.1	0	0	0	0	0	111.7	L143 E144 I147 V175 K176 M182 T183	L143-A179 HydrophobicContact CB-CB 3.86Å; E144-A179 HydrophobicContact CG-CB 3.69Å; I147-A179 HydrophobicContact CD1-CB 4.06Å; V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 2.65Å; K176-A179 PolarHBondContact O-N 3.2Å; A179-M182 PolarHBondContact O-N 3.2Å; A179-T183 WeakPolarHBondContact O-CB 3.36Å; A179-T183 WeakPolarHBondContact O-CG2 3.32Å; A179-T183 PolarHBondContact O-N 3.16Å; A179-T183 PolarHBondContact O-OG1 2.77Å
180	E	97.9	Very high	95.4	Very high	109 Å²	109	53.1 Å²	53.1	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-43.6	175	-74.9	174.8	-172.6	0	0	111.8	K176 L178 T183 S184	K176-E180 WeakPolarHBondContact O-CB 3.27Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.34Å; K176-E180 PolarHBondContact O-N 2.78Å; L178-E180 PolarHBondContact O-N 2.93Å; E180-T183 WeakPolarHBondContact CA-OG1 3.37Å; E180-T183 PolarHBondContact O-N 3.48Å; E180-T183 PolarHBondContact O-OG1 3.27Å; E180-T183 VanDerWaalsContact O-OG1 3.12Å; E180-S184 PolarHBondContact O-N 2.69Å
181	Q	97.6	Very high	94.5	Very high	42 Å²	42	53.8 Å²	53.8	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-49.6	176.1	-174.8	-75.3	-51.8	0	0	110.9	L177 L178 T183 S184 F256 L336	L177-Q181 WeakPolarHBondContact O-CB 3.38Å; L177-Q181 PolarHBondContact O-N 2.72Å; L178-Q181 PolarHBondContact O-N 2.98Å; Q181-T183 VanDerWaalsContact C-N 3.32Å; Q181-T183 PolarHBondContact O-N 2.94Å; Q181-S184 WeakPolarHBondContact O-CB 3.42Å; Q181-S184 PolarHBondContact O-N 2.71Å; Q181-S184 PolarHBondContact O-OG 3.21Å; Q181-F256 VanDerWaalsContact CD-CE2 3.44Å; Q181-F256 HydrophobicContact CG-CD2 4.26Å; Q181-F256 HydrophobicContact CG-CE2 3.67Å; Q181-F256 HydrophobicContact CG-CZ 4.16Å; Q181-L336 HydrophobicContact CB-CB 4.34Å; Q181-L336 WeakPolarHBondContact CG-O 3.44Å
182	M	97.6	Very high	93.9	Very high	2 Å²	2	56 Å²	56	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-34.8	-178.4	-69.1	175.4	70.3	0	0	112.5	L143 I147 L178 A179 S184 W202 V206 Q208 V209 Y212	L143-M182 HydrophobicContact CD1-CB 3.74Å; L143-M182 HydrophobicContact CD2-CE 3.94Å; I147-M182 HydrophobicContact CD1-SD 4.18Å; L178-M182 HydrophobicContact CD1-CG 3.99Å; L178-M182 HydrophobicContact CD1-SD 3.99Å; L178-M182 HydrophobicContact CG-CG 4.42Å; L178-M182 HydrophobicContact CG-SD 3.93Å; L178-M182 WeakPolarHBondContact O-CB 3.48Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.29Å; L178-M182 PolarHBondContact O-N 2.9Å; A179-M182 PolarHBondContact O-N 3.2Å; M182-S184 VanDerWaalsContact C-N 3.34Å; M182-W202 PolarHBondContact O-NE1 3.11Å; M182-V206 HydrophobicContact CB-CG1 4.45Å; M182-V206 HydrophobicContact CE-CG1 3.92Å; M182-V206 HydrophobicContact CG-CG1 4.36Å; M182-Q208 HydrophobicContact CE-CB 3.94Å; M182-V209 HydrophobicContact CE-CG2 3.54Å; M182-Y212 HydrophobicContact CE-CD2 4.23Å; M182-Y212 HydrophobicContact CE-CE2 3.99Å; M182-Y212 HydrophobicContact SD-CD2 4.49Å; M182-Y212 HydrophobicContact SD-CE2 3.81Å
183	T	96.4	Very high	93.7	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.16	30%	0.301	C	S	.	.	H	α-helix	trans	-76.5	-19.8	175.8	49.7	0	0	0	0	113.3	V139 A140 L143 A179 E180 Q181 D185 L186	V139-T183 HydrophobicContact CG1-CG2 4.25Å; A140-T183 HydrophobicContact CB-CG2 4.03Å; L143-T183 HydrophobicContact CD1-CG2 3.54Å; A179-T183 WeakPolarHBondContact O-CB 3.36Å; A179-T183 WeakPolarHBondContact O-CG2 3.32Å; A179-T183 PolarHBondContact O-N 3.16Å; A179-T183 PolarHBondContact O-OG1 2.77Å; E180-T183 WeakPolarHBondContact CA-OG1 3.37Å; E180-T183 PolarHBondContact O-N 3.48Å; E180-T183 PolarHBondContact O-OG1 3.27Å; E180-T183 VanDerWaalsContact O-OG1 3.12Å; Q181-T183 VanDerWaalsContact C-N 3.32Å; Q181-T183 PolarHBondContact O-N 2.94Å; T183-D185 PolarHBondContact O-N 2.83Å; T183-D185 VanDerWaalsContact O-N 3.13Å; T183-L186 HydrophobicContact CG2-CD1 3.92Å; T183-L186 VanDerWaalsContact O-CB 3.24Å; T183-L186 WeakPolarHBondContact O-CB 3.26Å; T183-L186 WeakPolarHBondContact O-CG 3.38Å; T183-L186 PolarHBondContact O-N 3.44Å
184	S	94.4	Very high	93.6	Very high	72 Å²	72	51.7 Å²	51.7	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	176	76.3	0	0	0	0	113.8	E180 Q181 M182	E180-S184 PolarHBondContact O-N 2.69Å; Q181-S184 WeakPolarHBondContact O-CB 3.42Å; Q181-S184 PolarHBondContact O-N 2.71Å; Q181-S184 PolarHBondContact O-OG 3.21Å; M182-S184 VanDerWaalsContact C-N 3.34Å
185	D	92.4	Very high	93.5	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1	174.6	-71.9	-41.3	0	0	0	114.1	T183 R205 V206	T183-D185 PolarHBondContact O-N 2.83Å; T183-D185 VanDerWaalsContact O-N 3.13Å; D185-R205 PolarHBondContact O-NH2 3.33Å; D185-V206 HydrophobicContact CB-CG2 3.85Å
186	L	94.1	Very high	93.3	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	32%	0.316	C	S	.	.			trans	-64.6	137.9	170.7	-73.4	166.8	0	0	0	109.9	V139 T183 P188 L199 W202	V139-L186 HydrophobicContact CB-CD1 4.24Å; V139-L186 HydrophobicContact CG1-CD1 4.02Å; T183-L186 HydrophobicContact CG2-CD1 3.92Å; T183-L186 VanDerWaalsContact O-CB 3.24Å; T183-L186 WeakPolarHBondContact O-CB 3.26Å; T183-L186 WeakPolarHBondContact O-CG 3.38Å; T183-L186 PolarHBondContact O-N 3.44Å; L186-P188 VanDerWaalsContact C-CD 3.48Å; L186-P188 WeakPolarHBondContact O-CD 3.32Å; L186-L199 HydrophobicContact CD2-CD2 4.19Å; L186-W202 HydrophobicContact CD2-CB 3.8Å; L186-W202 HydrophobicContact CD2-CD2 3.52Å; L186-W202 HydrophobicContact CD2-CE3 3.99Å; L186-W202 HydrophobicContact CD2-CG 3.41Å; L186-W202 VanDerWaalsContact CD2-CG 3.41Å; L186-W202 HydrophobicContact CG-CD2 4.24Å; L186-W202 HydrophobicContact CG-CG 4.11Å
187	R	93.3	Very high	93.2	Very high	161 Å²	161	57 Å²	57	61%	0.608	32%	0.322	S	S	*	.			trans	-127.3	68.4	179.1	-63.1	-177.8	-172.2	177.6	0.2	110.1
188	P	90.7	Very high	93.1	Very high	39 Å²	39	56.8 Å²	56.8	25%	0.253	32%	0.322	S	S	.	.			trans	-72.5	143	-176.6	34	-37.1	0	0	0	111.4	L186 D190 T193 C198	L186-P188 VanDerWaalsContact C-CD 3.48Å; L186-P188 WeakPolarHBondContact O-CD 3.32Å; P188-D190 VanDerWaalsContact C-N 3.31Å; P188-D190 VanDerWaalsContact CB-O 3.23Å; P188-D190 WeakPolarHBondContact CB-O 3.37Å; P188-D190 WeakPolarHBondContact CG-O 3.17Å; P188-T193 WeakPolarHBondContact CB-O 3.45Å; P188-C198 VanDerWaalsContact CA-SG 3.57Å
189	S	82.8	Confident	93.1	Very high	110 Å²	110	56.7 Å²	56.7	77%	0.769	32%	0.322	S	S	*	.	S	Bend	trans	-68.6	-32	176	-57.5	0	0	0	0	112.1
190	D	84.7	Confident	93	Very high	73 Å²	73	60 Å²	60	39%	0.39	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-105.7	132.7	169.8	178.9	-34.7	0	0	0	108.2	P188 T192 T193	P188-D190 VanDerWaalsContact C-N 3.31Å; P188-D190 VanDerWaalsContact CB-O 3.23Å; P188-D190 WeakPolarHBondContact CB-O 3.37Å; P188-D190 WeakPolarHBondContact CG-O 3.17Å; D190-T192 PolarHBondContact O-N 3.12Å; D190-T192 PolarHBondContact OD1-N 3.49Å; D190-T192 PolarHBondContact OD1-OG1 2.99Å; D190-T193 PolarHBondContact O-N 3.31Å
191	P	78.9	Confident	93	Very high	120 Å²	120	57.9 Å²	57.9	78%	0.779	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-20.6	179.1	-26.3	32.9	0	0	0	115.7
192	T	83.6	Confident	93	Very high	85 Å²	85	55.9 Å²	55.9	52%	0.521	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-22.2	-172	62.7	0	0	0	0	114.6	S135 C136 D190	S135-T192 WeakPolarHBondContact CA-O 3.46Å; C136-T192 PolarHBondContact N-O 2.87Å; D190-T192 PolarHBondContact O-N 3.12Å; D190-T192 PolarHBondContact OD1-N 3.49Å; D190-T192 PolarHBondContact OD1-OG1 2.99Å
193	T	93.9	Very high	93	Very high	47 Å²	47	56 Å²	56	29%	0.288	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143	-169.9	63	0	0	0	0	113.9	V134 P188 D190	V134-T193 CarbonylContact O-C 3.5Å; V134-T193 WeakPolarHBondContact O-CA 3.25Å; P188-T193 WeakPolarHBondContact CB-O 3.45Å; D190-T193 PolarHBondContact O-N 3.31Å
194	C	95.6	Very high	93	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	175.6	-56.4	0	0	0	0	109.1	A133 V134 C136 C198 L199	A133-C194 CarbonylContact C-O 3.54Å; A133-C194 VanDerWaalsContact CA-O 3.25Å; A133-C194 WeakPolarHBondContact CA-O 3.39Å; A133-C194 WeakPolarHBondContact CB-O 3.38Å; V134-C194 HydrophobicContact CG2-CB 4.37Å; V134-C194 PolarHBondContact N-O 2.93Å; V134-C194 PolarHBondContact O-N 2.92Å; C136-C194 VanDerWaalsContact SG-SG 3.67Å; C194-C198 HydrophobicContact CB-CB 4.28Å; C194-L199 HydrophobicContact CB-CD2 3.89Å; C194-L199 HydrophobicContact CB-CG 4.1Å
195	D	96	Very high	93.1	Very high	60 Å²	60	62.3 Å²	62.3	32%	0.321	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-177.7	167.9	65.5	7.3	0	0	0	111.2	M121 S197 C198 L199	M121-D195 VanDerWaalsContact CE-C 3.45Å; D195-S197 PolarHBondContact O-N 2.99Å; D195-S197 PolarHBondContact OD1-N 3.24Å; D195-C198 PolarHBondContact O-N 2.82Å; D195-C198 WeakPolarHBondContact OD1-CB 3.41Å; D195-C198 PolarHBondContact OD1-N 3.43Å; D195-L199 WeakPolarHBondContact O-CG 3.43Å; D195-L199 PolarHBondContact O-N 3.16Å; D195-L199 VanDerWaalsContact O-N 3.15Å
196	L	95.5	Very high	93.2	Very high	74 Å²	74	59.5 Å²	59.5	39%	0.387	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-39.4	-175.7	-175.7	62.2	0	0	0	112.3	A117 P118 M121 L199 E200	A117-L196 HydrophobicContact CB-CD1 3.75Å; P118-L196 HydrophobicContact CB-CD1 4.45Å; P118-L196 HydrophobicContact CG-CD1 3.97Å; M121-L196 VanDerWaalsContact CE-CA 3.46Å; M121-L196 HydrophobicContact CE-CB 3.79Å; M121-L196 HydrophobicContact CE-CD1 4.31Å; L196-L199 PolarHBondContact O-N 2.89Å; L196-E200 WeakPolarHBondContact O-CB 3.43Å; L196-E200 PolarHBondContact O-N 2.88Å
197	S	96.3	Very high	93.1	Very high	82 Å²	82	61.6 Å²	61.6	57%	0.573	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-41.2	179.1	-177.9	0	0	0	0	111.5	D195 L199 E200 D201	D195-S197 PolarHBondContact O-N 2.99Å; D195-S197 PolarHBondContact OD1-N 3.24Å; S197-L199 PolarHBondContact O-N 3.1Å; S197-E200 PolarHBondContact O-N 3.38Å; S197-D201 VanDerWaalsContact O-CB 3.27Å; S197-D201 WeakPolarHBondContact O-CB 3.41Å; S197-D201 PolarHBondContact O-N 2.97Å
198	C	96.6	Very high	93.2	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-45.7	173.1	174.8	0	0	0	0	111.8	P188 C194 D195 W202	P188-C198 VanDerWaalsContact CA-SG 3.57Å; C194-C198 HydrophobicContact CB-CB 4.28Å; D195-C198 PolarHBondContact O-N 2.82Å; D195-C198 WeakPolarHBondContact OD1-CB 3.41Å; D195-C198 PolarHBondContact OD1-N 3.43Å; C198-W202 VanDerWaalsContact O-CB 3.26Å; C198-W202 WeakPolarHBondContact O-CB 3.41Å; C198-W202 PolarHBondContact O-N 3.36Å
199	L	97.4	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70.4	-37.4	-179.8	-67	-179.7	0	0	0	112.9	A117 V120 M121 V134 V139 L186 C194 D195 L196 S197 W202 V203	A117-L199 HydrophobicContact CB-CB 4.32Å; V120-L199 HydrophobicContact CG1-CD1 4.46Å; M121-L199 HydrophobicContact CB-CD1 3.68Å; M121-L199 HydrophobicContact CE-CD1 4.04Å; M121-L199 HydrophobicContact CG-CD1 4.11Å; V134-L199 HydrophobicContact CG2-CD1 3.99Å; V139-L199 HydrophobicContact CG2-CD2 3.96Å; L186-L199 HydrophobicContact CD2-CD2 4.19Å; C194-L199 HydrophobicContact CB-CD2 3.89Å; C194-L199 HydrophobicContact CB-CG 4.1Å; D195-L199 WeakPolarHBondContact O-CG 3.43Å; D195-L199 PolarHBondContact O-N 3.16Å; D195-L199 VanDerWaalsContact O-N 3.15Å; L196-L199 PolarHBondContact O-N 2.89Å; S197-L199 PolarHBondContact O-N 3.1Å; L199-W202 HydrophobicContact CD2-CE3 4.1Å; L199-W202 PolarHBondContact O-N 2.96Å; L199-V203 WeakPolarHBondContact O-CB 3.4Å; L199-V203 VanDerWaalsContact O-CG2 3.22Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.43Å
200	E	97.3	Very high	94.1	Very high	71 Å²	71	50 Å²	50	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-51.7	174.2	178.6	-177.8	166.5	0	0	111.6	A113 E114 A117 L196 S197 W202 V203 F204	A113-E200 HydrophobicContact CB-CG 4.25Å; E114-E200 HydrophobicContact CB-CG 4.42Å; A117-E200 HydrophobicContact CB-CB 3.8Å; L196-E200 WeakPolarHBondContact O-CB 3.43Å; L196-E200 PolarHBondContact O-N 2.88Å; S197-E200 PolarHBondContact O-N 3.38Å; E200-W202 VanDerWaalsContact C-N 3.29Å; E200-W202 PolarHBondContact O-N 3.23Å; E200-V203 PolarHBondContact O-N 2.77Å; E200-F204 WeakPolarHBondContact O-CB 3.4Å; E200-F204 PolarHBondContact O-N 2.93Å
201	D	97.2	Very high	94.6	Very high	63 Å²	63	50.1 Å²	50.1	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-38.5	178.3	172.6	59.2	0	0	0	112	S197 R205	S197-D201 VanDerWaalsContact O-CB 3.27Å; S197-D201 WeakPolarHBondContact O-CB 3.41Å; S197-D201 PolarHBondContact O-N 2.97Å; D201-R205 PolarHBondContact O-N 3.35Å; D201-R205 VanDerWaalsContact O-N 3.16Å; D201-R205 IonicContact OD1-CZ 3.87Å; D201-R205 IonicContact OD1-NH1 2.68Å; D201-R205 PolarHBondContact OD1-NH1 2.94Å; D201-R205 IonicContact OD2-CZ 3.11Å; D201-R205 IonicContact OD2-NH1 2.71Å; D201-R205 PolarHBondContact OD2-NH1 2.84Å; D201-R205 IonicContact OD2-NH2 3.01Å; D201-R205 PolarHBondContact OD2-NH2 3.25Å
202	W	97.5	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-49.9	174.6	173.6	66.8	0	0	0	113.1	V120 V139 L143 M182 L186 C198 L199 E200 F204 R205 V206 V209	V120-W202 HydrophobicContact CG1-CZ3 3.95Å; V139-W202 HydrophobicContact CG1-CH2 3.71Å; V139-W202 HydrophobicContact CG1-CZ2 4.36Å; V139-W202 HydrophobicContact CG1-CZ3 3.8Å; L143-W202 HydrophobicContact CD1-CH2 3.68Å; L143-W202 HydrophobicContact CD1-CZ2 3.55Å; L143-W202 HydrophobicContact CD2-CH2 3.91Å; L143-W202 HydrophobicContact CD2-CZ2 4.36Å; L143-W202 HydrophobicContact CG-CH2 3.97Å; L143-W202 HydrophobicContact CG-CZ2 4.33Å; M182-W202 PolarHBondContact O-NE1 3.11Å; L186-W202 HydrophobicContact CD2-CB 3.8Å; L186-W202 HydrophobicContact CD2-CD2 3.52Å; L186-W202 HydrophobicContact CD2-CE3 3.99Å; L186-W202 HydrophobicContact CD2-CG 3.41Å; L186-W202 VanDerWaalsContact CD2-CG 3.41Å; L186-W202 HydrophobicContact CG-CD2 4.24Å; L186-W202 HydrophobicContact CG-CG 4.11Å; C198-W202 VanDerWaalsContact O-CB 3.26Å; C198-W202 WeakPolarHBondContact O-CB 3.41Å; C198-W202 PolarHBondContact O-N 3.36Å; L199-W202 HydrophobicContact CD2-CE3 4.1Å; L199-W202 PolarHBondContact O-N 2.96Å; E200-W202 VanDerWaalsContact C-N 3.29Å; E200-W202 PolarHBondContact O-N 3.23Å; W202-F204 PolarHBondContact O-N 3.35Å; W202-R205 PolarHBondContact O-N 2.84Å; W202-R205 VanDerWaalsContact O-N 3.09Å; W202-V206 PolarHBondContact O-N 3.3Å; W202-V209 HydrophobicContact CH2-CG1 4.44Å; W202-V209 HydrophobicContact CH2-CG2 3.65Å; W202-V209 HydrophobicContact CZ2-CG2 3.74Å; W202-V209 HydrophobicContact CZ3-CG1 4.44Å; W202-V209 HydrophobicContact CZ3-CG2 4.18Å
203	V	97.3	Very high	96.1	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-34.1	178	169.9	0	0	0	0	111.2	A113 R116 V120 L199 E200 V209	A113-V203 HydrophobicContact CB-CB 4.45Å; A113-V203 HydrophobicContact CB-CG1 4.2Å; R116-V203 HydrophobicContact CB-CG1 4.2Å; V120-V203 HydrophobicContact CG2-CG2 4.08Å; L199-V203 WeakPolarHBondContact O-CB 3.4Å; L199-V203 VanDerWaalsContact O-CG2 3.22Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.43Å; E200-V203 PolarHBondContact O-N 2.77Å; V203-V209 HydrophobicContact CG2-CG1 4.28Å
204	F	96.7	Very high	96.2	Very high	156 Å²	156	40.1 Å²	40.1	68%	0.684	21%	0.207	S	C	*	.	H	α-helix	trans	-65	-44	174	179.4	-100.5	0	0	0	112.6	A113 E200 W202	A113-F204 HydrophobicContact CB-CB 3.77Å; A113-F204 HydrophobicContact CB-CD2 4.45Å; E200-F204 WeakPolarHBondContact O-CB 3.4Å; E200-F204 PolarHBondContact O-N 2.93Å; W202-F204 PolarHBondContact O-N 3.35Å
205	R	96.3	Very high	96.2	Very high	73 Å²	73	40.3 Å²	40.3	28%	0.275	21%	0.208	S	C	.	.	H	α-helix	trans	-76.4	-28	-180	-77.1	-161.8	-62.3	-86.1	-10.2	114.4	D185 D201 W202 P207	D185-R205 PolarHBondContact O-NH2 3.33Å; D201-R205 PolarHBondContact O-N 3.35Å; D201-R205 VanDerWaalsContact O-N 3.16Å; D201-R205 IonicContact OD1-CZ 3.87Å; D201-R205 IonicContact OD1-NH1 2.68Å; D201-R205 PolarHBondContact OD1-NH1 2.94Å; D201-R205 IonicContact OD2-CZ 3.11Å; D201-R205 IonicContact OD2-NH1 2.71Å; D201-R205 PolarHBondContact OD2-NH1 2.84Å; D201-R205 IonicContact OD2-NH2 3.01Å; D201-R205 PolarHBondContact OD2-NH2 3.25Å; W202-R205 PolarHBondContact O-N 2.84Å; W202-R205 VanDerWaalsContact O-N 3.09Å; R205-P207 VanDerWaalsContact C-CD 3.41Å; R205-P207 WeakPolarHBondContact O-CD 3.05Å
206	V	95.8	Very high	96.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	19%	0.193	C	C	.	.			trans	-112	76.1	-176.9	-170	0	0	0	0	109.2	M182 D185 W202 Q208 V209	M182-V206 HydrophobicContact CB-CG1 4.45Å; M182-V206 HydrophobicContact CE-CG1 3.92Å; M182-V206 HydrophobicContact CG-CG1 4.36Å; D185-V206 HydrophobicContact CB-CG2 3.85Å; W202-V206 PolarHBondContact O-N 3.3Å; V206-Q208 PolarHBondContact O-N 3.04Å; V206-V209 HydrophobicContact CB-CG2 4.24Å; V206-V209 HydrophobicContact CG1-CG2 4.01Å; V206-V209 PolarHBondContact O-N 3.47Å; V206-V209 VanDerWaalsContact O-N 3.07Å
207	P	92.1	Very high	96.1	Very high	64 Å²	64	34 Å²	34	42%	0.416	18%	0.175	S	C	.	.	H	α-helix	trans	-61.9	-19.1	-174	25.9	-36.1	0	0	0	113.6	R205 V209 A210 Q211	R205-P207 VanDerWaalsContact C-CD 3.41Å; R205-P207 WeakPolarHBondContact O-CD 3.05Å; P207-V209 PolarHBondContact O-N 3.22Å; P207-A210 WeakPolarHBondContact O-CB 3.28Å; P207-A210 PolarHBondContact O-N 2.73Å; P207-A210 VanDerWaalsContact O-N 3.11Å; P207-Q211 PolarHBondContact O-N 2.86Å; P207-Q211 VanDerWaalsContact O-N 3.09Å
208	Q	95.1	Very high	95.9	Very high	51 Å²	51	30.3 Å²	30.3	24%	0.238	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-32.3	174.6	-65.1	83	-7	0	0	112.1	M182 V206 A210 Q211 Y212	M182-Q208 HydrophobicContact CE-CB 3.94Å; V206-Q208 PolarHBondContact O-N 3.04Å; Q208-A210 VanDerWaalsContact C-N 3.32Å; Q208-A210 PolarHBondContact O-N 3.47Å; Q208-Q211 PolarHBondContact O-N 3.37Å; Q208-Y212 HydrophobicContact CB-CE1 4.43Å; Q208-Y212 HydrophobicContact CB-CE2 4.22Å; Q208-Y212 WeakPolarHBondContact O-CB 3.3Å; Q208-Y212 WeakPolarHBondContact O-CD1 3.38Å; Q208-Y212 PolarHBondContact O-N 2.97Å
209	V	96.6	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-45.9	175.7	-178.4	0	0	0	0	110.3	V120 F142 L143 M182 W202 V203 V206 P207 Y212 L213	V120-V209 HydrophobicContact CG2-CG1 4.32Å; F142-V209 HydrophobicContact CE1-CG1 4.5Å; L143-V209 HydrophobicContact CD2-CG2 4.28Å; M182-V209 HydrophobicContact CE-CG2 3.54Å; W202-V209 HydrophobicContact CH2-CG1 4.44Å; W202-V209 HydrophobicContact CH2-CG2 3.65Å; W202-V209 HydrophobicContact CZ2-CG2 3.74Å; W202-V209 HydrophobicContact CZ3-CG1 4.44Å; W202-V209 HydrophobicContact CZ3-CG2 4.18Å; V203-V209 HydrophobicContact CG2-CG1 4.28Å; V206-V209 HydrophobicContact CB-CG2 4.24Å; V206-V209 HydrophobicContact CG1-CG2 4.01Å; V206-V209 PolarHBondContact O-N 3.47Å; V206-V209 VanDerWaalsContact O-N 3.07Å; P207-V209 PolarHBondContact O-N 3.22Å; V209-Y212 PolarHBondContact O-N 3.33Å; V209-L213 HydrophobicContact CG1-CD1 4.22Å; V209-L213 VanDerWaalsContact O-CG 3.3Å; V209-L213 WeakPolarHBondContact O-CG 3.42Å; V209-L213 PolarHBondContact O-N 3.43Å
210	A	95.4	Very high	95.5	Very high	15 Å²	15	31 Å²	31	12%	0.124	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-45.6	177	0	0	0	0	0	111.5	P207 Q208 Y212 L213 E214	P207-A210 WeakPolarHBondContact O-CB 3.28Å; P207-A210 PolarHBondContact O-N 2.73Å; P207-A210 VanDerWaalsContact O-N 3.11Å; Q208-A210 VanDerWaalsContact C-N 3.32Å; Q208-A210 PolarHBondContact O-N 3.47Å; A210-Y212 VanDerWaalsContact C-N 3.31Å; A210-Y212 PolarHBondContact O-N 3.29Å; A210-L213 PolarHBondContact O-N 3.11Å; A210-E214 WeakPolarHBondContact O-CG 3.48Å; A210-E214 PolarHBondContact O-N 3.07Å
211	Q	95.4	Very high	95.2	Very high	76 Å²	76	28.1 Å²	28.1	36%	0.355	14%	0.14	S	C	.	.	H	α-helix	trans	-59.3	-40.4	178	-67.6	177.9	-8.3	0	0	112.5	P207 Q208 E214 V215	P207-Q211 PolarHBondContact O-N 2.86Å; P207-Q211 VanDerWaalsContact O-N 3.09Å; Q208-Q211 PolarHBondContact O-N 3.37Å; Q211-E214 PolarHBondContact O-N 3.27Å; Q211-V215 WeakPolarHBondContact O-CG2 3.37Å; Q211-V215 PolarHBondContact O-N 3.29Å
212	Y	97.7	Very high	94.8	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-70.7	-39.1	179	-65.5	-8.1	0	0	0	112	I147 V150 L178 M182 Q208 V209 A210 E214 V215 L216 L233 M255	I147-Y212 HydrophobicContact CG1-CD2 4.14Å; I147-Y212 HydrophobicContact CG1-CE2 4.03Å; V150-Y212 HydrophobicContact CG2-CD1 4.41Å; V150-Y212 HydrophobicContact CG2-CG 4.17Å; L178-Y212 HydrophobicContact CD2-CE2 4.32Å; M182-Y212 HydrophobicContact CE-CD2 4.23Å; M182-Y212 HydrophobicContact CE-CE2 3.99Å; M182-Y212 HydrophobicContact SD-CD2 4.49Å; M182-Y212 HydrophobicContact SD-CE2 3.81Å; Q208-Y212 HydrophobicContact CB-CE1 4.43Å; Q208-Y212 HydrophobicContact CB-CE2 4.22Å; Q208-Y212 WeakPolarHBondContact O-CB 3.3Å; Q208-Y212 WeakPolarHBondContact O-CD1 3.38Å; Q208-Y212 PolarHBondContact O-N 2.97Å; V209-Y212 PolarHBondContact O-N 3.33Å; A210-Y212 VanDerWaalsContact C-N 3.31Å; A210-Y212 PolarHBondContact O-N 3.29Å; Y212-E214 VanDerWaalsContact C-N 3.33Å; Y212-V215 PolarHBondContact O-N 3.09Å; Y212-L216 WeakPolarHBondContact O-CB 3.39Å; Y212-L216 PolarHBondContact O-N 2.85Å; Y212-L233 HydrophobicContact CD1-CD1 4.16Å; Y212-L233 HydrophobicContact CD1-CD2 4.32Å; Y212-L233 HydrophobicContact CE1-CD1 4.21Å; Y212-L233 HydrophobicContact CE1-CD2 4Å; Y212-M255 HydrophobicContact CD1-CE 4.06Å; Y212-M255 HydrophobicContact CE1-CE 3.31Å; Y212-M255 HydrophobicContact CE2-CE 4.13Å; Y212-M255 WeakPolarHBondContact OH-CE 3.22Å
213	L	97	Very high	94.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-39.8	172	-72.2	172.9	0	0	0	111.8	V108 V120 M123 F142 L146 V209 A210 L216 V217	V108-L213 HydrophobicContact CG1-CB 3.8Å; V108-L213 WeakPolarHBondContact CG1-O 3.14Å; V120-L213 HydrophobicContact CG2-CD1 4.01Å; M123-L213 HydrophobicContact CE-CD1 4.31Å; M123-L213 HydrophobicContact CE-CD2 3.63Å; M123-L213 HydrophobicContact SD-CD2 4.13Å; F142-L213 HydrophobicContact CE2-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.13Å; L146-L213 HydrophobicContact CD1-CD2 4.05Å; L146-L213 HydrophobicContact CD2-CD2 4.12Å; L146-L213 HydrophobicContact CD2-CG 4.14Å; V209-L213 HydrophobicContact CG1-CD1 4.22Å; V209-L213 VanDerWaalsContact O-CG 3.3Å; V209-L213 WeakPolarHBondContact O-CG 3.42Å; V209-L213 PolarHBondContact O-N 3.43Å; A210-L213 PolarHBondContact O-N 3.11Å; L213-L216 HydrophobicContact CD2-CD2 4.42Å; L213-L216 WeakPolarHBondContact O-CB 3.39Å; L213-L216 PolarHBondContact O-N 3.36Å; L213-V217 WeakPolarHBondContact O-CB 3.11Å; L213-V217 WeakPolarHBondContact O-CG2 3.33Å; L213-V217 PolarHBondContact O-N 3.16Å
214	E	95	Very high	93.6	Very high	38 Å²	38	32.7 Å²	32.7	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-46.3	175.6	-75.2	175.4	-159.8	0	0	111.8	V108 L109 R116 A210 Q211 Y212 V217 A218	V108-E214 WeakPolarHBondContact O-CG 3.5Å; L109-E214 HydrophobicContact CD2-CB 4.39Å; L109-E214 HydrophobicContact CD2-CG 4.3Å; R116-E214 IonicContact NH2-OE1 2.83Å; R116-E214 PolarHBondContact NH2-OE1 3.05Å; A210-E214 WeakPolarHBondContact O-CG 3.48Å; A210-E214 PolarHBondContact O-N 3.07Å; Q211-E214 PolarHBondContact O-N 3.27Å; Y212-E214 VanDerWaalsContact C-N 3.33Å; E214-V217 PolarHBondContact O-N 3.1Å; E214-A218 WeakPolarHBondContact O-CB 3.3Å; E214-A218 PolarHBondContact O-N 3.24Å
215	V	95.4	Very high	93	Very high	4 Å²	4	26 Å²	26	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175	170.9	0	0	0	0	111	V150 I153 Q211 Y212 V217 E219 P231 L233	V150-V215 HydrophobicContact CG1-CG1 4.27Å; V150-V215 HydrophobicContact CG2-CB 4.44Å; V150-V215 HydrophobicContact CG2-CG1 4.35Å; I153-V215 HydrophobicContact CG2-CG1 4.01Å; Q211-V215 WeakPolarHBondContact O-CG2 3.37Å; Q211-V215 PolarHBondContact O-N 3.29Å; Y212-V215 PolarHBondContact O-N 3.09Å; V215-V217 VanDerWaalsContact C-N 3.29Å; V215-V217 PolarHBondContact O-N 3.17Å; V215-E219 HydrophobicContact CG1-CG 4.39Å; V215-E219 VanDerWaalsContact O-CB 3.3Å; V215-E219 WeakPolarHBondContact O-CB 3.34Å; V215-E219 PolarHBondContact O-N 2.92Å; V215-P231 HydrophobicContact CG2-CG 4.07Å; V215-L233 HydrophobicContact CG2-CD1 3.92Å
216	L	96	Very high	92.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-54.1	-47	177	173.9	65	0	0	0	111.6	V65 M69 M73 L146 A149 I153 Y212 L213 G220	V65-L216 HydrophobicContact CG1-CD1 3.73Å; V65-L216 HydrophobicContact CG2-CD1 4.04Å; M69-L216 HydrophobicContact CE-CD2 3.46Å; M69-L216 VanDerWaalsContact CE-CD2 3.46Å; M69-L216 HydrophobicContact CG-CD1 4.04Å; M69-L216 HydrophobicContact CG-CD2 3.86Å; M69-L216 HydrophobicContact SD-CD2 4.31Å; M73-L216 HydrophobicContact CE-CG 4.34Å; M73-L216 HydrophobicContact CG-CD2 3.82Å; M73-L216 HydrophobicContact CG-CG 4.44Å; M73-L216 HydrophobicContact SD-CD1 3.74Å; M73-L216 HydrophobicContact SD-CD2 3.76Å; M73-L216 HydrophobicContact SD-CG 3.73Å; L146-L216 HydrophobicContact CD1-CB 4.1Å; L146-L216 HydrophobicContact CD1-CD2 3.71Å; L146-L216 HydrophobicContact CD1-CG 4.47Å; A149-L216 HydrophobicContact CB-CD1 3.95Å; I153-L216 HydrophobicContact CD1-CD1 4.15Å; Y212-L216 WeakPolarHBondContact O-CB 3.39Å; Y212-L216 PolarHBondContact O-N 2.85Å; L213-L216 HydrophobicContact CD2-CD2 4.42Å; L213-L216 WeakPolarHBondContact O-CB 3.39Å; L213-L216 PolarHBondContact O-N 3.36Å; L216-G220 WeakPolarHBondContact O-CA 3.21Å; L216-G220 PolarHBondContact O-N 3.17Å
217	V	94.3	Very high	90.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-79.5	-51.4	-175.5	168.7	0	0	0	0	111.7	M73 F104 L105 V108 L109 L213 E214 V215 L221	M73-V217 HydrophobicContact CE-CG2 4.33Å; F104-V217 HydrophobicContact CE1-CG2 3.63Å; F104-V217 HydrophobicContact CZ-CG2 4.08Å; L105-V217 HydrophobicContact CD2-CG1 3.15Å; V108-V217 HydrophobicContact CB-CG2 4.2Å; V108-V217 HydrophobicContact CG1-CB 3.91Å; V108-V217 HydrophobicContact CG1-CG1 4.44Å; V108-V217 HydrophobicContact CG1-CG2 3.63Å; V108-V217 HydrophobicContact CG2-CG2 4.3Å; L109-V217 HydrophobicContact CD1-CG1 4.22Å; L109-V217 HydrophobicContact CD2-CB 4.32Å; L109-V217 HydrophobicContact CD2-CG1 4.05Å; L109-V217 HydrophobicContact CG-CG1 4.12Å; L213-V217 WeakPolarHBondContact O-CB 3.11Å; L213-V217 WeakPolarHBondContact O-CG2 3.33Å; L213-V217 PolarHBondContact O-N 3.16Å; E214-V217 PolarHBondContact O-N 3.1Å; V215-V217 VanDerWaalsContact C-N 3.29Å; V215-V217 PolarHBondContact O-N 3.17Å; V217-L221 HydrophobicContact CG1-CD1 4.2Å; V217-L221 VanDerWaalsContact O-CB 3.25Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 PolarHBondContact O-N 2.63Å
218	A	92.9	Very high	90.3	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-46.8	-175.7	0	0	0	0	0	112	L109 E214 D222 V223 W228	L109-A218 HydrophobicContact CD2-CB 4.14Å; E214-A218 WeakPolarHBondContact O-CB 3.3Å; E214-A218 PolarHBondContact O-N 3.24Å; A218-D222 CarbonylContact O-C 3.53Å; A218-D222 WeakPolarHBondContact O-CA 3.3Å; A218-D222 PolarHBondContact O-N 3.31Å; A218-V223 PolarHBondContact O-N 3.09Å; A218-W228 HydrophobicContact CB-CD2 4.08Å; A218-W228 HydrophobicContact CB-CE3 4.2Å; A218-W228 HydrophobicContact CB-CH2 3.5Å; A218-W228 VanDerWaalsContact CB-CH2 3.5Å; A218-W228 HydrophobicContact CB-CZ2 3.36Å; A218-W228 HydrophobicContact CB-CZ3 3.92Å
219	E	92.1	Very high	89.4	Confident	13 Å²	13	31 Å²	31	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-88.4	-30.2	-178	-62	-66.4	147.2	0	0	112.8	I153 R157 R159 V215 W228	I153-E219 HydrophobicContact CG2-CB 3.43Å; I153-E219 VanDerWaalsContact CG2-CB 3.43Å; I153-E219 HydrophobicContact CG2-CG 4.17Å; R157-E219 PolarHBondContact NE-O 2.96Å; R157-E219 PolarHBondContact NH2-O 2.8Å; R159-E219 IonicContact CZ-OE1 3.45Å; R159-E219 IonicContact CZ-OE2 2.72Å; R159-E219 VanDerWaalsContact CZ-OE2 3.3Å; R159-E219 IonicContact NE-OE2 2.86Å; R159-E219 IonicContact NH1-OE1 2.69Å; R159-E219 PolarHBondContact NH1-OE1 3.47Å; R159-E219 IonicContact NH1-OE2 3.86Å; R159-E219 IonicContact NH2-OE1 3.08Å; R159-E219 PolarHBondContact NH2-OE1 2.84Å; R159-E219 IonicContact NH2-OE2 2.99Å; R159-E219 PolarHBondContact NH2-OE2 3.39Å; R159-E219 VanDerWaalsContact NH2-OE2 3.11Å; V215-E219 HydrophobicContact CG1-CG 4.39Å; V215-E219 VanDerWaalsContact O-CB 3.3Å; V215-E219 WeakPolarHBondContact O-CB 3.34Å; V215-E219 PolarHBondContact O-N 2.92Å; E219-W228 HydrophobicContact CG-CH2 3.97Å; E219-W228 WeakPolarHBondContact OE1-CH2 3.34Å; E219-W228 WeakPolarHBondContact OE1-CZ3 3.34Å
220	G	92.2	Very high	88.4	Confident	7 Å²	7	32.6 Å²	32.6	7%	0.072	21%	0.21	C	C	.	.	H	α-helix	trans	-72.1	-43.2	177.4	0	0	0	0	0	112.5	L61 L216	L61-G220 VanDerWaalsContact CD2-O 3.26Å; L61-G220 WeakPolarHBondContact CD2-O 3.12Å; L216-G220 WeakPolarHBondContact O-CA 3.21Å; L216-G220 PolarHBondContact O-N 3.17Å
221	L	91.3	Very high	87.8	Confident	11 Å²	11	33.4 Å²	33.4	6%	0.058	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.2	178.4	-63.8	174.3	0	0	0	113.8	V39 R42 L43 L61 M73 L105 V217 V223	V39-L221 HydrophobicContact CG1-CB 4.22Å; R42-L221 PolarHBondContact NH2-O 2.59Å; L43-L221 HydrophobicContact CD1-CD2 3.92Å; L43-L221 HydrophobicContact CD2-CD2 4.04Å; L61-L221 HydrophobicContact CD1-CD2 3.7Å; L61-L221 HydrophobicContact CD2-CD2 3.89Å; L61-L221 HydrophobicContact CD2-CG 4.37Å; L61-L221 HydrophobicContact CG-CD2 4.08Å; M73-L221 HydrophobicContact CE-CD1 4.22Å; M73-L221 HydrophobicContact CE-CG 4.26Å; L105-L221 HydrophobicContact CD2-CD1 4Å; V217-L221 HydrophobicContact CG1-CD1 4.2Å; V217-L221 VanDerWaalsContact O-CB 3.25Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 PolarHBondContact O-N 2.63Å; L221-V223 HydrophobicContact CB-CG2 3.64Å
222	D	89.1	Confident	87.3	Confident	74 Å²	74	34.5 Å²	34.5	40%	0.396	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	52.1	-177.4	-155.4	60.3	0	0	0	111.4	R42 R157 A218	R42-D222 PolarHBondContact NH2-O 3.48Å; R157-D222 IonicContact CZ-OD1 2.65Å; R157-D222 VanDerWaalsContact CZ-OD1 3.31Å; R157-D222 IonicContact NH1-OD1 3.14Å; R157-D222 PolarHBondContact NH1-OD1 2.94Å; R157-D222 IonicContact NH2-OD1 2.91Å; R157-D222 PolarHBondContact NH2-OD1 2.8Å; A218-D222 CarbonylContact O-C 3.53Å; A218-D222 WeakPolarHBondContact O-CA 3.3Å; A218-D222 PolarHBondContact O-N 3.31Å
223	V	86.9	Confident	87.1	Confident	3 Å²	3	35 Å²	35	2%	0.018	24%	0.238	C	C	.	.			trans	-97	97.1	-178.9	-170.9	0	0	0	0	108.5	V35 V39 L105 L109 A218 L221 L225	V35-V223 HydrophobicContact CG1-CG1 4.41Å; V39-V223 HydrophobicContact CG2-CG2 3.91Å; L105-V223 HydrophobicContact CD2-CG2 4.36Å; L109-V223 HydrophobicContact CD1-CG1 4.38Å; A218-V223 PolarHBondContact O-N 3.09Å; L221-V223 HydrophobicContact CB-CG2 3.64Å; V223-L225 HydrophobicContact CG1-CD1 4.32Å; V223-L225 HydrophobicContact CG1-CD2 3.63Å; V223-L225 HydrophobicContact CG1-CG 3.75Å; V223-L225 PolarHBondContact O-N 2.98Å
224	S	83.3	Confident	87	Confident	89 Å²	89	35.5 Å²	35.5	62%	0.622	24%	0.241	S	C	*	.			trans	-89.4	97.4	175.6	-64.9	0	0	0	0	110.2
225	L	83.5	Confident	86.9	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.073	24%	0.239	C	C	.	.			trans	-97.9	146.7	176.3	-57.5	-173.2	0	0	0	111.7	F28 E32 L109 V223 G227 W228	F28-L225 HydrophobicContact CD1-CD1 4.05Å; F28-L225 HydrophobicContact CE1-CD1 3.56Å; E32-L225 HydrophobicContact CB-CD2 3.92Å; E32-L225 HydrophobicContact CG-CB 4.45Å; E32-L225 HydrophobicContact CG-CD2 4.05Å; L109-L225 HydrophobicContact CD1-CD1 3.6Å; V223-L225 HydrophobicContact CG1-CD1 4.32Å; V223-L225 HydrophobicContact CG1-CD2 3.63Å; V223-L225 HydrophobicContact CG1-CG 3.75Å; V223-L225 PolarHBondContact O-N 2.98Å; L225-G227 PolarHBondContact O-N 3.22Å; L225-W228 HydrophobicContact CB-CB 4.28Å; L225-W228 PolarHBondContact O-N 3.09Å
226	S	77.1	Confident	86.8	Confident	44 Å²	44	38.3 Å²	38.3	31%	0.308	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	125.4	176	67.1	0	0	0	0	110.4	E32 W228	E32-S226 PolarHBondContact OE1-N 3.34Å; E32-S226 VanDerWaalsContact OE1-O 3.08Å; E32-S226 PolarHBondContact OE1-OG 2.87Å; S226-W228 VanDerWaalsContact C-N 3.31Å; S226-W228 PolarHBondContact O-N 3.06Å
227	G	71.3	Confident	86.8	Confident	82 Å²	82	38.8 Å²	38.8	85%	0.845	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-0.8	179.2	0	0	0	0	0	115.6	L225	L225-G227 PolarHBondContact O-N 3.22Å
228	W	79.1	Confident	86.7	Confident	52 Å²	52	45.2 Å²	45.2	20%	0.197	28%	0.283	C	S	.	.			trans	-78.8	128	164.9	-176.4	81.7	0	0	0	109.2	A218 E219 L225 S226 A230	A218-W228 HydrophobicContact CB-CD2 4.08Å; A218-W228 HydrophobicContact CB-CE3 4.2Å; A218-W228 HydrophobicContact CB-CH2 3.5Å; A218-W228 VanDerWaalsContact CB-CH2 3.5Å; A218-W228 HydrophobicContact CB-CZ2 3.36Å; A218-W228 HydrophobicContact CB-CZ3 3.92Å; E219-W228 HydrophobicContact CG-CH2 3.97Å; E219-W228 WeakPolarHBondContact OE1-CH2 3.34Å; E219-W228 WeakPolarHBondContact OE1-CZ3 3.34Å; L225-W228 HydrophobicContact CB-CB 4.28Å; L225-W228 PolarHBondContact O-N 3.09Å; S226-W228 VanDerWaalsContact C-N 3.31Å; S226-W228 PolarHBondContact O-N 3.06Å; W228-A230 VanDerWaalsContact CH2-CA 3.48Å; W228-A230 HydrophobicContact CH2-CB 3.47Å; W228-A230 VanDerWaalsContact CH2-CB 3.47Å; W228-A230 HydrophobicContact CZ2-CB 4.08Å; W228-A230 HydrophobicContact CZ3-CB 3.84Å
229	T	76.2	Confident	86.5	Confident	119 Å²	119	51.3 Å²	51.3	73%	0.73	32%	0.315	S	S	*	.			trans	-118.4	135.1	169.2	54.1	0	0	0	0	107.2
230	A	75.5	Confident	86.3	Confident	35 Å²	35	51.6 Å²	51.6	29%	0.289	32%	0.318	S	S	.	.			trans	-62.6	133	-178.3	0	0	0	0	0	110.7	W228 A232	W228-A230 VanDerWaalsContact CH2-CA 3.48Å; W228-A230 HydrophobicContact CH2-CB 3.47Å; W228-A230 VanDerWaalsContact CH2-CB 3.47Å; W228-A230 HydrophobicContact CZ2-CB 4.08Å; W228-A230 HydrophobicContact CZ3-CB 3.84Å; A230-A232 PolarHBondContact O-N 2.84Å
231	P	82.5	Confident	86.1	Confident	31 Å²	31	55.6 Å²	55.6	20%	0.201	34%	0.338	C	S	.	.			trans	-53.6	131.2	174.6	-25.6	33.6	0	0	0	110.5	V215 L233	V215-P231 HydrophobicContact CG2-CG 4.07Å; P231-L233 HydrophobicContact CB-CD2 3.84Å; P231-L233 HydrophobicContact CB-CG 4.18Å; P231-L233 PolarHBondContact O-N 3.46Å
232	A	85.4	Confident	86.1	Confident	99 Å²	99	56.7 Å²	56.7	82%	0.818	34%	0.341	S	S	*	.			trans	-75.6	77.2	173.8	0	0	0	0	0	109.4	A230 L234	A230-A232 PolarHBondContact O-N 2.84Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.12Å
233	L	92.9	Very high	86.1	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.073	36%	0.355	C	S	.	.			trans	-71.9	-18.7	-176.5	-63.5	-173.8	0	0	0	113.7	V150 L154 Y212 V215 P231 M255	V150-L233 HydrophobicContact CG1-CD1 3.55Å; L154-L233 HydrophobicContact CD1-CB 4.41Å; L154-L233 HydrophobicContact CD1-CD1 4.24Å; Y212-L233 HydrophobicContact CD1-CD1 4.16Å; Y212-L233 HydrophobicContact CD1-CD2 4.32Å; Y212-L233 HydrophobicContact CE1-CD1 4.21Å; Y212-L233 HydrophobicContact CE1-CD2 4Å; V215-L233 HydrophobicContact CG2-CD1 3.92Å; P231-L233 HydrophobicContact CB-CD2 3.84Å; P231-L233 HydrophobicContact CB-CG 4.18Å; P231-L233 PolarHBondContact O-N 3.46Å; L233-M255 HydrophobicContact CB-CG 4.4Å; L233-M255 HydrophobicContact CD1-CE 4.2Å
234	L	94.1	Very high	86.1	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	39%	0.387	C	S	.	.	S	Bend	trans	-129.2	137.6	-178.8	-59.2	174.2	0	0	0	109.7	L154 L160 Q161 A232 V251 L254 M255	L154-L234 HydrophobicContact CD1-CD1 4.06Å; L154-L234 HydrophobicContact CD1-CG 4.33Å; L160-L234 HydrophobicContact CD2-CD1 4.17Å; Q161-L234 HydrophobicContact CG-CB 4.35Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.12Å; L234-V251 HydrophobicContact CD1-CG1 4.19Å; L234-V251 HydrophobicContact CD2-CG1 3.96Å; L234-L254 HydrophobicContact CD2-CB 4.43Å; L234-L254 HydrophobicContact CD2-CD2 4.11Å; L234-M255 HydrophobicContact CD2-CG 3.64Å
235	P	93.7	Very high	86.5	Confident	23 Å²	23	63 Å²	63	15%	0.149	36%	0.358	C	S	.	.			trans	-68.6	156.9	168.9	31.5	-33.5	0	0	0	109.7	W163 L254 A258 W269	W163-P235 HydrophobicContact CZ2-CG 4.24Å; W163-P235 PolarHBondContact NE1-O 2.73Å; P235-L254 HydrophobicContact CG-CD2 4.13Å; P235-L254 HydrophobicContact CG-CG 4.4Å; P235-A258 HydrophobicContact CG-CB 3.86Å; P235-W269 VanDerWaalsContact CB-CD1 3.48Å; P235-W269 HydrophobicContact CB-CG 4.17Å; P235-W269 HydrophobicContact CG-CD2 4.1Å; P235-W269 HydrophobicContact CG-CG 4.06Å; P235-W269 HydrophobicContact CG-CZ2 4.36Å
236	Q	93.9	Very high	87.1	Confident	78 Å²	78	65.8 Å²	65.8	36%	0.364	38%	0.376	S	S	.	.			trans	-65.4	139.1	169	-69.7	-173.7	6.3	0	0	110.6	Q161 P268 W269	Q161-Q236 HydrophobicContact CB-CG 4.39Å; Q236-P268 HydrophobicContact CB-CB 3.87Å; Q236-P268 HydrophobicContact CB-CG 4.11Å; Q236-P268 CarbonylContact O-C 3.21Å; Q236-P268 VanDerWaalsContact O-CA 3.29Å; Q236-P268 WeakPolarHBondContact O-CA 3.4Å; Q236-W269 PolarHBondContact O-N 3.21Å
237	C	95.1	Very high	88.1	Confident	11 Å²	11	64 Å²	64	7%	0.074	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.7	168.7	-173.3	0	0	0	0	108.5	Q161 W163 W269	Q161-C237 PolarHBondContact O-N 3.23Å; W163-C237 HydrophobicContact CD2-CB 3.79Å; W163-C237 HydrophobicContact CE3-CB 4.39Å; W163-C237 HydrophobicContact CG-CB 4.02Å; W163-C237 HydrophobicContact CZ2-CB 4Å; C237-W269 WeakPolarHBondContact CA-O 3.42Å
238	R	93	Very high	89.3	Confident	136 Å²	136	60.8 Å²	60.8	51%	0.513	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	164	178.1	-69.6	-170.5	-172.1	-157.4	1.4	111.1	T240 P268 W269 R270	R238-T240 PolarHBondContact O-N 3.36Å; R238-T240 PolarHBondContact O-OG1 2.75Å; R238-P268 HydrophobicContact CB-CB 4Å; R238-P268 HydrophobicContact CG-CB 3.7Å; R238-P268 HydrophobicContact CG-CG 4.26Å; R238-W269 PolarHBondContact N-O 2.81Å; R238-R270 HydrophobicContact CB-CG 4.43Å
239	D	87.9	Confident	90.2	Very high	131 Å²	131	58.3 Å²	58.3	70%	0.701	32%	0.317	S	S	*	.	S	Bend	trans	52.5	35	169	-45.6	-37.1	0	0	0	113.8	R270	D239-R270 HydrophobicContact CB-CG 4.31Å; D239-R270 VanDerWaalsContact OD2-CD 3.25Å; D239-R270 WeakPolarHBondContact OD2-CD 3.4Å
240	T	87.6	Confident	91.2	Very high	19 Å²	19	53 Å²	53	12%	0.117	28%	0.284	C	S	.	.			trans	-112.3	119	-177.4	-59.6	0	0	0	0	109.4	R238 W242 L245 L271 W412	R238-T240 PolarHBondContact O-N 3.36Å; R238-T240 PolarHBondContact O-OG1 2.75Å; T240-W242 HydrophobicContact CG2-CD2 4.13Å; T240-W242 HydrophobicContact CG2-CG 4.5Å; T240-W242 HydrophobicContact CG2-CZ2 4.08Å; T240-W242 PolarHBondContact O-N 3.16Å; T240-L245 HydrophobicContact CG2-CD2 3.29Å; T240-L271 HydrophobicContact CG2-CB 4.24Å; T240-L271 HydrophobicContact CG2-CD2 4.46Å; T240-W412 HydrophobicContact CG2-CH2 4.18Å
241	D	88.3	Confident	92.3	Very high	91 Å²	91	51.4 Å²	51.4	49%	0.487	27%	0.271	S	S	.	.			trans	-78.1	100.5	173.2	-176.7	0.2	0	0	0	110.1	T243 L245	D241-T243 VanDerWaalsContact C-N 3.32Å; D241-T243 PolarHBondContact O-N 3.46Å; D241-T243 WeakPolarHBondContact OD1-CB 3.38Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.3Å; D241-T243 PolarHBondContact OD1-N 3.32Å; D241-T243 PolarHBondContact OD1-OG1 2.96Å; D241-T243 PolarHBondContact OD2-OG1 2.93Å; D241-L245 VanDerWaalsContact O-CB 3.23Å; D241-L245 WeakPolarHBondContact O-CB 3.33Å
242	W	92.3	Very high	93.1	Very high	35 Å²	35	49.9 Å²	49.9	13%	0.133	26%	0.261	C	S	.	.			trans	-77	-13.5	-178.7	-75.4	107	0	0	0	113.6	G162 W163 R164 Q167 T240 R244 L245 V247	G162-W242 PolarHBondContact O-NE1 3.1Å; W163-W242 AromaticContact CE3-CH2 3.99Å; W163-W242 HydrophobicContact CE3-CH2 3.99Å; W163-W242 HydrophobicContact CE3-CZ2 4.27Å; W163-W242 HydrophobicContact CZ3-CH2 4.43Å; R164-W242 HydrophobicContact CB-CD2 3.95Å; R164-W242 HydrophobicContact CB-CE3 3.85Å; R164-W242 HydrophobicContact CB-CH2 4.25Å; R164-W242 HydrophobicContact CB-CZ2 4.36Å; R164-W242 HydrophobicContact CB-CZ3 3.99Å; R164-W242 HydrophobicContact CG-CD2 3.49Å; R164-W242 VanDerWaalsContact CG-CD2 3.49Å; R164-W242 HydrophobicContact CG-CE3 3.94Å; R164-W242 HydrophobicContact CG-CG 3.76Å; R164-W242 HydrophobicContact CG-CH2 4.47Å; R164-W242 HydrophobicContact CG-CZ2 4.09Å; R164-W242 HydrophobicContact CG-CZ3 4.39Å; Q167-W242 HydrophobicContact CB-CE3 3.69Å; Q167-W242 HydrophobicContact CB-CZ3 3.87Å; Q167-W242 VanDerWaalsContact CD-O 3.26Å; Q167-W242 HydrophobicContact CG-CE3 4.41Å; Q167-W242 PolarHBondContact NE2-O 3.04Å; T240-W242 HydrophobicContact CG2-CD2 4.13Å; T240-W242 HydrophobicContact CG2-CG 4.5Å; T240-W242 HydrophobicContact CG2-CZ2 4.08Å; T240-W242 PolarHBondContact O-N 3.16Å; W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.45Å; W242-L245 HydrophobicContact CE3-CD2 4.24Å; W242-L245 HydrophobicContact CZ3-CD2 4.39Å; W242-L245 PolarHBondContact O-N 2.88Å; W242-V247 HydrophobicContact CH2-CG1 4.13Å; W242-V247 HydrophobicContact CH2-CG2 4.23Å; W242-V247 HydrophobicContact CZ3-CG1 3.85Å; W242-V247 HydrophobicContact CZ3-CG2 4.16Å
243	T	88.4	Confident	93.7	Very high	112 Å²	112	45.3 Å²	45.3	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.3	-169.3	58.9	0	0	0	0	114	D241	D241-T243 VanDerWaalsContact C-N 3.32Å; D241-T243 PolarHBondContact O-N 3.46Å; D241-T243 WeakPolarHBondContact OD1-CB 3.38Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.3Å; D241-T243 PolarHBondContact OD1-N 3.32Å; D241-T243 PolarHBondContact OD1-OG1 2.96Å; D241-T243 PolarHBondContact OD2-OG1 2.93Å
244	R	86.4	Confident	93.9	Very high	184 Å²	184	44.7 Å²	44.7	69%	0.694	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.1	16.2	-177.5	-65.2	179.9	60.1	-157.1	-6.5	113.2	W242 L277	W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.45Å; R244-L277 HydrophobicContact CB-CD2 4.18Å
245	L	93.2	Very high	94	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.218	C	C	.	.			trans	-111.1	129.4	-172.9	179.3	69.3	0	0	0	110.2	Q167 T240 D241 W242 V247 L271 L277	Q167-L245 WeakPolarHBondContact CB-O 3.25Å; T240-L245 HydrophobicContact CG2-CD2 3.29Å; D241-L245 VanDerWaalsContact O-CB 3.23Å; D241-L245 WeakPolarHBondContact O-CB 3.33Å; W242-L245 HydrophobicContact CE3-CD2 4.24Å; W242-L245 HydrophobicContact CZ3-CD2 4.39Å; W242-L245 PolarHBondContact O-N 2.88Å; L245-V247 HydrophobicContact CD1-CG1 4.09Å; L245-V247 HydrophobicContact CD2-CG1 3.57Å; L245-V247 HydrophobicContact CG-CG1 3.66Å; L245-L271 HydrophobicContact CD1-CD2 3.67Å; L245-L271 HydrophobicContact CD2-CD2 3.53Å; L245-L271 HydrophobicContact CG-CD2 4.24Å; L245-L277 HydrophobicContact CB-CD1 4.46Å; L245-L277 HydrophobicContact CB-CD2 4.46Å; L245-L277 HydrophobicContact CD1-CD1 4.11Å; L245-L277 HydrophobicContact CD1-CG 4.24Å
246	T	95.3	Very high	94.2	Very high	72 Å²	72	44 Å²	44	44%	0.442	21%	0.214	S	C	.	.			trans	-116.4	128.4	158.3	54	0	0	0	0	108.5	Q167 Q276	Q167-T246 CarbonylContact O-C 3.56Å; Q167-T246 VanDerWaalsContact O-CA 3.25Å; Q167-T246 WeakPolarHBondContact O-CA 3.5Å; T246-Q276 PolarHBondContact O-NE2 2.86Å; T246-Q276 PolarHBondContact OG1-NE2 3.13Å; T246-Q276 PolarHBondContact OG1-OE1 3.09Å
247	V	96.9	Very high	94.3	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.036	20%	0.197	C	C	.	.			trans	-98.1	150.5	-175.1	-54.4	0	0	0	0	112	Q167 M168 G169 W242 L245 E410 W412	Q167-V247 PolarHBondContact O-N 2.8Å; M168-V247 CarbonylContact C-O 3.53Å; M168-V247 HydrophobicContact CB-CG2 4.15Å; M168-V247 HydrophobicContact CG-CG2 3.53Å; G169-V247 PolarHBondContact N-O 3.05Å; W242-V247 HydrophobicContact CH2-CG1 4.13Å; W242-V247 HydrophobicContact CH2-CG2 4.23Å; W242-V247 HydrophobicContact CZ3-CG1 3.85Å; W242-V247 HydrophobicContact CZ3-CG2 4.16Å; L245-V247 HydrophobicContact CD1-CG1 4.09Å; L245-V247 HydrophobicContact CD2-CG1 3.57Å; L245-V247 HydrophobicContact CG-CG1 3.66Å; V247-E410 WeakPolarHBondContact CA-OE1 3.35Å; V247-W412 HydrophobicContact CB-CZ2 4.12Å; V247-W412 HydrophobicContact CG1-CH2 4.08Å; V247-W412 HydrophobicContact CG1-CZ2 3.62Å
248	L	97.7	Very high	94.3	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	20%	0.201	C	C	.	.	S	Bend	trans	-67.3	-35.5	-176.9	-70.2	178.2	0	0	0	113.1	L298 R300 V306 A408 E410	L248-L298 HydrophobicContact CB-CD2 4.36Å; L248-L298 HydrophobicContact CD1-CB 3.84Å; L248-R300 HydrophobicContact CD1-CB 4.23Å; L248-R300 HydrophobicContact CD2-CB 3.8Å; L248-R300 HydrophobicContact CD2-CG 4.43Å; L248-V306 HydrophobicContact CB-CG1 4.27Å; L248-V306 HydrophobicContact CD1-CG1 4.39Å; L248-A408 HydrophobicContact CD2-CB 4.29Å; L248-E410 HydrophobicContact CD1-CG 4.29Å; L248-E410 HydrophobicContact CG-CG 4.34Å; L248-E410 WeakPolarHBondContact CG-OE1 3.43Å; L248-E410 PolarHBondContact N-OE1 2.79Å; L248-E410 PolarHBondContact N-OE2 3.1Å
249	L	97.9	Very high	94.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.201	C	C	.	.			trans	-81.5	150.1	-179.5	-63.2	-179.1	0	0	0	111.9	M168 G169 L254 L257 W269 L298 V332	M168-L249 VanDerWaalsContact CB-O 3.29Å; M168-L249 WeakPolarHBondContact CB-O 3.29Å; G169-L249 PolarHBondContact N-O 3.35Å; L249-L254 HydrophobicContact CB-CD1 4.38Å; L249-L254 HydrophobicContact CD1-CD1 3.44Å; L249-L254 VanDerWaalsContact CD1-CD1 3.44Å; L249-L257 HydrophobicContact CD1-CD1 4.03Å; L249-L257 HydrophobicContact CD2-CD1 3.77Å; L249-W269 HydrophobicContact CD1-CZ3 4.17Å; L249-L298 HydrophobicContact CD1-CD1 4.49Å; L249-L298 HydrophobicContact CD1-CD2 3.85Å; L249-L298 HydrophobicContact CD2-CD2 3.43Å; L249-L298 VanDerWaalsContact CD2-CD2 3.43Å; L249-L298 HydrophobicContact CG-CD2 3.46Å; L249-L298 VanDerWaalsContact CG-CD2 3.46Å; L249-V332 HydrophobicContact CD2-CG1 4.15Å; L249-V332 HydrophobicContact CD2-CG2 4.02Å
250	D	97.8	Very high	94.6	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	18%	0.183	C	C	.	.			trans	-110.9	176.3	166.3	66.2	17.4	0	0	0	111.2	G169 N170 T171 G174 P252 T253 L254	G169-D250 WeakPolarHBondContact O-CB 3.42Å; N170-D250 VanDerWaalsContact C-OD2 3.22Å; T171-D250 WeakPolarHBondContact CA-OD2 3.32Å; T171-D250 PolarHBondContact N-OD2 3.24Å; G174-D250 WeakPolarHBondContact CA-OD2 3.45Å; G174-D250 PolarHBondContact N-OD2 2.91Å; G174-D250 VanDerWaalsContact N-OD2 3.16Å; D250-P252 WeakPolarHBondContact OD1-CD 3.23Å; D250-T253 PolarHBondContact N-OG1 3.23Å; D250-T253 PolarHBondContact O-N 2.98Å; D250-T253 PolarHBondContact O-OG1 2.61Å; D250-T253 VanDerWaalsContact O-OG1 3.12Å; D250-T253 VanDerWaalsContact OD1-CB 3.27Å; D250-T253 WeakPolarHBondContact OD1-CB 3.48Å; D250-T253 WeakPolarHBondContact OD1-CG2 3.28Å; D250-T253 PolarHBondContact OD1-N 2.94Å; D250-T253 PolarHBondContact OD1-OG1 3.49Å; D250-L254 VanDerWaalsContact O-CB 3.27Å; D250-L254 WeakPolarHBondContact O-CB 3.26Å; D250-L254 PolarHBondContact O-N 2.83Å
251	V	98	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-49.1	-177.4	179	0	0	0	0	111.8	V151 L160 P165 M168 L234 L254 M255	V151-V251 HydrophobicContact CG1-CB 4.3Å; V151-V251 HydrophobicContact CG1-CG1 4.3Å; V151-V251 HydrophobicContact CG2-CB 4.33Å; V151-V251 HydrophobicContact CG2-CG1 3.96Å; L160-V251 HydrophobicContact CD2-CG2 4.22Å; P165-V251 HydrophobicContact CG-CG2 4.15Å; M168-V251 HydrophobicContact CE-CG2 4.17Å; M168-V251 HydrophobicContact SD-CG2 3.97Å; L234-V251 HydrophobicContact CD1-CG1 4.19Å; L234-V251 HydrophobicContact CD2-CG1 3.96Å; V251-L254 PolarHBondContact O-N 3.35Å; V251-M255 HydrophobicContact CG1-CG 4.43Å; V251-M255 HydrophobicContact CG1-SD 3.91Å; V251-M255 VanDerWaalsContact O-CG 3.26Å; V251-M255 WeakPolarHBondContact O-CG 3.25Å; V251-M255 PolarHBondContact O-N 3.43Å
252	P	98.4	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-45.6	176.9	-26	34.2	0	0	0	114.6	I147 V151 T171 G174 V175 L178 D250 L254 M255 F256	I147-P252 HydrophobicContact CG2-CB 4.23Å; I147-P252 HydrophobicContact CG2-CG 4.24Å; V151-P252 HydrophobicContact CG2-CG 4.01Å; T171-P252 HydrophobicContact CG2-CG 4.26Å; G174-P252 VanDerWaalsContact C-CB 3.41Å; G174-P252 WeakPolarHBondContact O-CB 3.38Å; V175-P252 HydrophobicContact CG2-CG 3.91Å; L178-P252 HydrophobicContact CB-CB 4.32Å; L178-P252 HydrophobicContact CD2-CB 4.09Å; D250-P252 WeakPolarHBondContact OD1-CD 3.23Å; P252-L254 VanDerWaalsContact C-N 3.27Å; P252-L254 PolarHBondContact O-N 3.47Å; P252-M255 WeakPolarHBondContact O-CB 3.3Å; P252-M255 PolarHBondContact O-N 2.99Å; P252-F256 PolarHBondContact O-N 3.15Å; P252-F256 VanDerWaalsContact O-N 3.08Å
253	T	98.2	Very high	94.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-31.1	-179.8	53.7	0	0	0	0	111.6	D250 F256 L257 V332 L336	D250-T253 PolarHBondContact N-OG1 3.23Å; D250-T253 PolarHBondContact O-N 2.98Å; D250-T253 PolarHBondContact O-OG1 2.61Å; D250-T253 VanDerWaalsContact O-OG1 3.12Å; D250-T253 VanDerWaalsContact OD1-CB 3.27Å; D250-T253 WeakPolarHBondContact OD1-CB 3.48Å; D250-T253 WeakPolarHBondContact OD1-CG2 3.28Å; D250-T253 PolarHBondContact OD1-N 2.94Å; D250-T253 PolarHBondContact OD1-OG1 3.49Å; T253-F256 WeakPolarHBondContact O-CB 3.22Å; T253-F256 PolarHBondContact O-N 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3.49Å; T253-L257 PolarHBondContact O-N 2.9Å; T253-V332 HydrophobicContact CG2-CG1 3.63Å; T253-L336 HydrophobicContact CG2-CD1 4.25Å
254	L	97.1	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-40.1	172.2	-158.1	76.7	0	0	0	112.5	W163 L234 P235 L249 D250 V251 P252 F256 L257 A258 W269	W163-L254 HydrophobicContact CD2-CD2 3.59Å; W163-L254 HydrophobicContact CE3-CD2 4.12Å; W163-L254 HydrophobicContact CG-CD2 4.07Å; W163-L254 HydrophobicContact CH2-CD1 4.03Å; W163-L254 HydrophobicContact CH2-CD2 3.99Å; W163-L254 HydrophobicContact CZ2-CD1 4.03Å; W163-L254 HydrophobicContact CZ2-CD2 3.43Å; W163-L254 VanDerWaalsContact CZ2-CD2 3.43Å; W163-L254 HydrophobicContact CZ2-CG 4.37Å; W163-L254 HydrophobicContact CZ3-CD2 4.3Å; L234-L254 HydrophobicContact CD2-CB 4.43Å; L234-L254 HydrophobicContact CD2-CD2 4.11Å; P235-L254 HydrophobicContact CG-CD2 4.13Å; P235-L254 HydrophobicContact CG-CG 4.4Å; L249-L254 HydrophobicContact CB-CD1 4.38Å; L249-L254 HydrophobicContact CD1-CD1 3.44Å; L249-L254 VanDerWaalsContact CD1-CD1 3.44Å; D250-L254 VanDerWaalsContact O-CB 3.27Å; D250-L254 WeakPolarHBondContact O-CB 3.26Å; D250-L254 PolarHBondContact O-N 2.83Å; V251-L254 PolarHBondContact O-N 3.35Å; P252-L254 VanDerWaalsContact C-N 3.27Å; P252-L254 PolarHBondContact O-N 3.47Å; L254-F256 PolarHBondContact O-N 2.94Å; L254-L257 PolarHBondContact O-N 3.34Å; L254-A258 VanDerWaalsContact O-CB 3.3Å; L254-A258 WeakPolarHBondContact O-CB 3.17Å; L254-A258 PolarHBondContact O-N 3.17Å; L254-W269 HydrophobicContact CD1-CE3 4.25Å; L254-W269 HydrophobicContact CD1-CH2 3.91Å; L254-W269 HydrophobicContact CD1-CZ3 3.75Å
255	M	97.3	Very high	93.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-28.2	172.3	-70.9	166.7	52.3	0	0	112.1	V150 V151 L154 Y212 L233 L234 V251 P252 P259	V150-M255 HydrophobicContact CG1-CE 3.78Å; V150-M255 HydrophobicContact CG1-SD 4.39Å; V151-M255 HydrophobicContact CG2-SD 4.37Å; L154-M255 HydrophobicContact CD1-SD 4.26Å; Y212-M255 HydrophobicContact CD1-CE 4.06Å; Y212-M255 HydrophobicContact CE1-CE 3.31Å; Y212-M255 HydrophobicContact CE2-CE 4.13Å; Y212-M255 WeakPolarHBondContact OH-CE 3.22Å; L233-M255 HydrophobicContact CB-CG 4.4Å; L233-M255 HydrophobicContact CD1-CE 4.2Å; L234-M255 HydrophobicContact CD2-CG 3.64Å; V251-M255 HydrophobicContact CG1-CG 4.43Å; V251-M255 HydrophobicContact CG1-SD 3.91Å; V251-M255 VanDerWaalsContact O-CG 3.26Å; V251-M255 WeakPolarHBondContact O-CG 3.25Å; V251-M255 PolarHBondContact O-N 3.43Å; P252-M255 WeakPolarHBondContact O-CB 3.3Å; P252-M255 PolarHBondContact O-N 2.99Å; M255-P259 WeakPolarHBondContact O-CD 3.1Å; M255-P259 VanDerWaalsContact O-CG 3.3Å; M255-P259 WeakPolarHBondContact O-CG 3.34Å
256	F	97.3	Very high	92.7	Very high	15 Å²	15	33.7 Å²	33.7	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-79.9	-47.9	173.6	174.3	-101.1	0	0	0	113.3	L178 Q181 P252 T253 L254 Q260 L336 V338	L178-F256 HydrophobicContact CD1-CB 3.94Å; L178-F256 HydrophobicContact CD1-CD2 4.1Å; L178-F256 HydrophobicContact CD1-CG 4.39Å; Q181-F256 VanDerWaalsContact CD-CE2 3.44Å; Q181-F256 HydrophobicContact CG-CD2 4.26Å; Q181-F256 HydrophobicContact CG-CE2 3.67Å; Q181-F256 HydrophobicContact CG-CZ 4.16Å; P252-F256 PolarHBondContact O-N 3.15Å; P252-F256 VanDerWaalsContact O-N 3.08Å; T253-F256 WeakPolarHBondContact O-CB 3.22Å; T253-F256 PolarHBondContact O-N 3.25Å; L254-F256 PolarHBondContact O-N 2.94Å; F256-Q260 VanDerWaalsContact O-CG 3.22Å; F256-Q260 WeakPolarHBondContact O-CG 3.38Å; F256-Q260 PolarHBondContact O-NE2 2.9Å; F256-L336 HydrophobicContact CB-CD2 3.73Å; F256-L336 HydrophobicContact CB-CG 4.39Å; F256-L336 HydrophobicContact CD1-CD1 3.45Å; F256-L336 VanDerWaalsContact CD1-CD1 3.45Å; F256-L336 HydrophobicContact CD1-CD2 3.73Å; F256-L336 HydrophobicContact CD1-CG 3.41Å; F256-L336 VanDerWaalsContact CD1-CG 3.41Å; F256-L336 HydrophobicContact CD2-CD2 4.12Å; F256-L336 HydrophobicContact CD2-CG 4.34Å; F256-L336 HydrophobicContact CE1-CD1 3.84Å; F256-L336 HydrophobicContact CE1-CD2 4.37Å; F256-L336 HydrophobicContact CE1-CG 3.64Å; F256-L336 HydrophobicContact CG-CD1 4.19Å; F256-L336 HydrophobicContact CG-CD2 3.57Å; F256-L336 HydrophobicContact CG-CG 3.79Å; F256-L336 HydrophobicContact CZ-CG 4.23Å; F256-V338 HydrophobicContact CE1-CG2 3.85Å; F256-V338 HydrophobicContact CZ-CG2 4.04Å
257	L	96.7	Very high	92.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-77.8	-38.4	-172	-72.9	175.2	0	0	0	113.4	L249 T253 L254 Q260 M296 F330 V332 V338	L249-L257 HydrophobicContact CD1-CD1 4.03Å; L249-L257 HydrophobicContact CD2-CD1 3.77Å; T253-L257 WeakPolarHBondContact O-CG 3.49Å; T253-L257 PolarHBondContact O-N 2.9Å; L254-L257 PolarHBondContact O-N 3.34Å; L257-Q260 VanDerWaalsContact O-CB 3.28Å; L257-Q260 WeakPolarHBondContact O-CB 3.49Å; L257-Q260 PolarHBondContact O-N 2.92Å; L257-M296 HydrophobicContact CB-CE 4.37Å; L257-M296 HydrophobicContact CD1-CE 4.24Å; L257-F330 HydrophobicContact CD1-CD2 4.18Å; L257-F330 HydrophobicContact CD1-CE2 3.99Å; L257-F330 HydrophobicContact CD2-CB 4.12Å; L257-F330 HydrophobicContact CD2-CD1 4.43Å; L257-F330 HydrophobicContact CD2-CD2 3.9Å; L257-F330 HydrophobicContact CD2-CE2 4.44Å; L257-F330 HydrophobicContact CD2-CG 3.9Å; L257-V332 HydrophobicContact CD1-CG2 4.05Å; L257-V338 HydrophobicContact CD2-CG2 4.37Å
258	A	94.8	Very high	92.1	Very high	20 Å²	20	31.9 Å²	31.9	17%	0.165	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.4	-40.8	-174.7	0	0	0	0	0	113.5	P235 L254 Q260 L261 W269	P235-A258 HydrophobicContact CG-CB 3.86Å; L254-A258 VanDerWaalsContact O-CB 3.3Å; L254-A258 WeakPolarHBondContact O-CB 3.17Å; L254-A258 PolarHBondContact O-N 3.17Å; A258-Q260 PolarHBondContact O-N 3.3Å; A258-L261 WeakPolarHBondContact O-CB 3.45Å; A258-L261 WeakPolarHBondContact O-CG 3.4Å; A258-L261 PolarHBondContact O-N 3.26Å; A258-W269 HydrophobicContact CB-CZ2 4.28Å
259	P	93.4	Very high	92	Very high	79 Å²	79	31.2 Å²	31.2	51%	0.513	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-67.5	-10.6	174.3	-21.9	34.8	0	0	0	115	M255 L261	M255-P259 WeakPolarHBondContact O-CD 3.1Å; M255-P259 VanDerWaalsContact O-CG 3.3Å; M255-P259 WeakPolarHBondContact O-CG 3.34Å; P259-L261 VanDerWaalsContact C-N 3.32Å
260	Q	94.2	Very high	91.8	Very high	70 Å²	70	32.9 Å²	32.9	33%	0.327	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-84.4	-12.2	178.5	-49.9	-66.2	-31	0	0	112	F256 L257 A258 F328 V338	F256-Q260 VanDerWaalsContact O-CG 3.22Å; F256-Q260 WeakPolarHBondContact O-CG 3.38Å; F256-Q260 PolarHBondContact O-NE2 2.9Å; L257-Q260 VanDerWaalsContact O-CB 3.28Å; L257-Q260 WeakPolarHBondContact O-CB 3.49Å; L257-Q260 PolarHBondContact O-N 2.92Å; A258-Q260 PolarHBondContact O-N 3.3Å; Q260-F328 HydrophobicContact CB-CZ 4.14Å; Q260-V338 HydrophobicContact CB-CG2 4.29Å; Q260-V338 HydrophobicContact CG-CG2 3.86Å
261	L	93.3	Very high	91.8	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.105	21%	0.209	C	C	.	.	S	Bend	trans	-67.6	140.5	177.4	-62.8	-175.3	0	0	0	110.5	A258 P259 C265 W269 M296 F310 F328 V414	A258-L261 WeakPolarHBondContact O-CB 3.45Å; A258-L261 WeakPolarHBondContact O-CG 3.4Å; A258-L261 PolarHBondContact O-N 3.26Å; P259-L261 VanDerWaalsContact C-N 3.32Å; L261-C265 HydrophobicContact CB-CB 3.97Å; L261-C265 HydrophobicContact CD1-CB 4.26Å; L261-W269 HydrophobicContact CD1-CZ2 3.66Å; L261-W269 HydrophobicContact CG-CZ2 4.41Å; L261-M296 HydrophobicContact CD2-CG 4.11Å; L261-M296 HydrophobicContact CD2-SD 3.68Å; L261-F310 HydrophobicContact CD2-CD2 3.51Å; L261-F310 HydrophobicContact CD2-CE2 3.67Å; L261-F310 HydrophobicContact CD2-CG 4.22Å; L261-F328 HydrophobicContact CD2-CZ 4.32Å; L261-V414 HydrophobicContact CD1-CB 3.95Å; L261-V414 HydrophobicContact CD1-CG1 4.25Å; L261-V414 HydrophobicContact CD1-CG2 4.02Å; L261-V414 HydrophobicContact CD2-CG2 4.35Å
262	P	90.7	Very high	91.7	Very high	30 Å²	30	34.3 Å²	34.3	20%	0.195	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-59.9	153.8	177.2	-22.5	32.2	0	0	0	113.3	G264 C265 F310 R326	P262-G264 PolarHBondContact O-N 2.98Å; P262-C265 WeakPolarHBondContact O-CB 3.41Å; P262-C265 PolarHBondContact O-N 3.36Å; P262-C265 VanDerWaalsContact O-N 3.09Å; P262-C265 PolarHBondContact O-SG 3.08Å; P262-F310 HydrophobicContact CG-CE1 3.69Å; P262-F310 HydrophobicContact CG-CZ 4.02Å; P262-R326 HydrophobicContact CG-CB 3.89Å; P262-R326 HydrophobicContact CG-CG 4.5Å
263	D	81.1	Confident	91.6	Very high	169 Å²	169	34.5 Å²	34.5	90%	0.904	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	134.7	173.3	-68	-33.1	0	0	0	111.4
264	G	73.9	Confident	91.5	Very high	62 Å²	62	34.3 Å²	34.3	64%	0.639	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.3	-10.9	-175.5	0	0	0	0	0	115	P262 S266	P262-G264 PolarHBondContact O-N 2.98Å; G264-S266 PolarHBondContact O-N 3.39Å; G264-S266 VanDerWaalsContact O-N 3.16Å
265	C	79.4	Confident	91.5	Very high	23 Å²	23	35.3 Å²	35.3	16%	0.155	22%	0.22	C	C	.	.			trans	-86.1	47.4	171.2	-57.4	0	0	0	0	112.2	L261 P262 A267	L261-C265 HydrophobicContact CB-CB 3.97Å; L261-C265 HydrophobicContact CD1-CB 4.26Å; P262-C265 WeakPolarHBondContact O-CB 3.41Å; P262-C265 PolarHBondContact O-N 3.36Å; P262-C265 VanDerWaalsContact O-N 3.09Å; P262-C265 PolarHBondContact O-SG 3.08Å; C265-A267 VanDerWaalsContact C-N 3.34Å
266	S	76.8	Confident	91.4	Very high	109 Å²	109	38 Å²	38	76%	0.762	23%	0.233	S	C	*	.			trans	-92.5	5.3	-179.9	60.9	0	0	0	0	113.7	G264	G264-S266 PolarHBondContact O-N 3.39Å; G264-S266 VanDerWaalsContact O-N 3.16Å
267	A	87.4	Confident	91.2	Very high	8 Å²	8	39.8 Å²	39.8	7%	0.066	24%	0.243	C	C	.	.	S	Bend	trans	-67.2	150.8	-180	0	0	0	0	0	110.8	C265 W269 G415 K416	C265-A267 VanDerWaalsContact C-N 3.34Å; A267-W269 PolarHBondContact O-N 2.9Å; A267-G415 VanDerWaalsContact CB-O 3.28Å; A267-G415 WeakPolarHBondContact CB-O 3.46Å; A267-K416 HydrophobicContact CB-CG 4.32Å
268	P	92.6	Very high	91.2	Very high	33 Å²	33	43.2 Å²	43.2	21%	0.214	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-56.1	132.7	171.7	-23.5	33.7	0	0	0	111.1	Q236 R238 R270	Q236-P268 HydrophobicContact CB-CB 3.87Å; Q236-P268 HydrophobicContact CB-CG 4.11Å; Q236-P268 CarbonylContact O-C 3.21Å; Q236-P268 VanDerWaalsContact O-CA 3.29Å; Q236-P268 WeakPolarHBondContact O-CA 3.4Å; R238-P268 HydrophobicContact CB-CB 4Å; R238-P268 HydrophobicContact CG-CB 3.7Å; R238-P268 HydrophobicContact CG-CG 4.26Å; P268-R270 PolarHBondContact O-N 2.94Å
269	W	95.4	Very high	91.1	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129	172.8	-74	38.6	0	0	0	109	W163 P235 Q236 C237 R238 L249 L254 A258 L261 A267 M296 W412 A413 V414	W163-W269 HydrophobicContact CH2-CB 4.43Å; W163-W269 AromaticContact CH2-CE3 3.92Å; W163-W269 HydrophobicContact CH2-CE3 3.92Å; W163-W269 HydrophobicContact CZ2-CB 3.99Å; W163-W269 HydrophobicContact CZ2-CD2 4.2Å; W163-W269 HydrophobicContact CZ2-CE3 4.04Å; W163-W269 HydrophobicContact CZ2-CG 4.23Å; P235-W269 VanDerWaalsContact CB-CD1 3.48Å; P235-W269 HydrophobicContact CB-CG 4.17Å; P235-W269 HydrophobicContact CG-CD2 4.1Å; P235-W269 HydrophobicContact CG-CG 4.06Å; P235-W269 HydrophobicContact CG-CZ2 4.36Å; Q236-W269 PolarHBondContact O-N 3.21Å; C237-W269 WeakPolarHBondContact CA-O 3.42Å; R238-W269 PolarHBondContact N-O 2.81Å; L249-W269 HydrophobicContact CD1-CZ3 4.17Å; L254-W269 HydrophobicContact CD1-CE3 4.25Å; L254-W269 HydrophobicContact CD1-CH2 3.91Å; L254-W269 HydrophobicContact CD1-CZ3 3.75Å; A258-W269 HydrophobicContact CB-CZ2 4.28Å; L261-W269 HydrophobicContact CD1-CZ2 3.66Å; L261-W269 HydrophobicContact CG-CZ2 4.41Å; A267-W269 PolarHBondContact O-N 2.9Å; W269-M296 HydrophobicContact CH2-CB 4.48Å; W269-M296 HydrophobicContact CH2-CE 4.12Å; W269-M296 HydrophobicContact CH2-CG 3.87Å; W269-M296 HydrophobicContact CZ2-CG 4.28Å; W269-M296 HydrophobicContact CZ3-CB 4.4Å; W269-M296 HydrophobicContact CZ3-CG 4.25Å; W269-W412 HydrophobicContact CB-CE3 4.11Å; W269-W412 HydrophobicContact CE3-CB 3.91Å; W269-W412 HydrophobicContact CE3-CD2 4.18Å; W269-W412 HydrophobicContact CE3-CE3 4.37Å; W269-W412 AromaticContact CE3-CG 4Å; W269-W412 HydrophobicContact CE3-CG 4Å; W269-W412 HydrophobicContact CZ3-CB 4.37Å; W269-W412 HydrophobicContact CZ3-CG 4.39Å; W269-A413 WeakPolarHBondContact CA-O 3.36Å; W269-V414 HydrophobicContact CD2-CG1 3.59Å; W269-V414 VanDerWaalsContact CE2-CG1 3.49Å; W269-V414 HydrophobicContact CE3-CG1 4.11Å; W269-V414 HydrophobicContact CG-CG1 3.86Å; W269-V414 HydrophobicContact CH2-CG1 4.48Å; W269-V414 HydrophobicContact CZ2-CG1 4Å
270	R	94.9	Very high	91.2	Very high	35 Å²	35	46.8 Å²	46.8	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.5	178.2	-65	174.7	-64.6	121.1	2.4	109	R238 D239 P268 V272 W412 A413	R238-R270 HydrophobicContact CB-CG 4.43Å; D239-R270 HydrophobicContact CB-CG 4.31Å; D239-R270 VanDerWaalsContact OD2-CD 3.25Å; D239-R270 WeakPolarHBondContact OD2-CD 3.4Å; P268-R270 PolarHBondContact O-N 2.94Å; R270-V272 PolarHBondContact O-N 3.32Å; R270-W412 CarbonylContact O-C 3.55Å; R270-W412 WeakPolarHBondContact O-CA 3.49Å; R270-A413 PolarHBondContact N-O 3.1Å; R270-A413 PolarHBondContact O-N 2.98Å
271	L	96	Very high	91.2	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.1	174.9	-175.7	73	0	0	0	108.8	T240 L245 F273 L277 E410 W412	T240-L271 HydrophobicContact CG2-CB 4.24Å; T240-L271 HydrophobicContact CG2-CD2 4.46Å; L245-L271 HydrophobicContact CD1-CD2 3.67Å; L245-L271 HydrophobicContact CD2-CD2 3.53Å; L245-L271 HydrophobicContact CG-CD2 4.24Å; L271-F273 WeakPolarHBondContact CD1-O 3.49Å; L271-L277 HydrophobicContact CD2-CD1 3.81Å; L271-E410 HydrophobicContact CD1-CB 4.22Å; L271-E410 HydrophobicContact CD1-CG 4.44Å; L271-W412 HydrophobicContact CB-CD2 4.32Å; L271-W412 HydrophobicContact CB-CE3 3.93Å; L271-W412 HydrophobicContact CB-CH2 3.88Å; L271-W412 HydrophobicContact CB-CZ2 4.27Å; L271-W412 HydrophobicContact CB-CZ3 3.69Å; L271-W412 HydrophobicContact CD1-CD2 3.95Å; L271-W412 HydrophobicContact CD1-CE3 4.41Å; L271-W412 HydrophobicContact CD1-CG 4.41Å; L271-W412 HydrophobicContact CD1-CH2 4.25Å; L271-W412 HydrophobicContact CD1-CZ2 3.76Å; L271-W412 HydrophobicContact CG-CZ2 4.49Å
272	V	95.8	Very high	91.3	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-22.3	-179.6	-61.6	0	0	0	0	112.4	R270 A288 H292 V411 A413	R270-V272 PolarHBondContact O-N 3.32Å; V272-A288 HydrophobicContact CB-CB 4.43Å; V272-A288 HydrophobicContact CG2-CB 4.37Å; V272-H292 HydrophobicContact CG1-CB 4.12Å; V272-H292 WeakPolarHBondContact CG1-CD2 3.38Å; V272-H292 HydrophobicContact CG2-CB 4.36Å; V272-V411 HydrophobicContact CG2-CB 3.88Å; V272-V411 HydrophobicContact CG2-CG1 3.54Å; V272-V411 WeakPolarHBondContact CG2-O 3.17Å; V272-V411 PolarHBondContact N-O 2.81Å; V272-A413 HydrophobicContact CG1-CB 3.66Å
273	F	96.6	Very high	91.5	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.6	171.1	-177.1	-94.1	0	0	0	111.8	L271 T275 H278 G279 R284 M285 A288 F379 V409 E410 V411	L271-F273 WeakPolarHBondContact CD1-O 3.49Å; F273-T275 HydrophobicContact CE1-CG2 4.25Å; F273-H278 WeakPolarHBondContact CA-ND1 3.42Å; F273-H278 HydrophobicContact CD2-CB 3.91Å; F273-H278 AromaticContact CD2-ND1 3.79Å; F273-H278 HydrophobicContact CE2-CB 3.73Å; F273-G279 WeakPolarHBondContact CZ-O 3.37Å; F273-R284 HydrophobicContact CE2-CB 4.1Å; F273-M285 HydrophobicContact CD1-CB 3.94Å; F273-M285 HydrophobicContact CD1-CG 3.71Å; F273-M285 HydrophobicContact CD1-SD 4.41Å; F273-M285 HydrophobicContact CD2-CB 3.95Å; F273-M285 HydrophobicContact CD2-CG 4.46Å; F273-M285 HydrophobicContact CE1-CB 3.79Å; F273-M285 HydrophobicContact CE1-CG 3.87Å; F273-M285 HydrophobicContact CE1-SD 4.23Å; F273-M285 HydrophobicContact CE2-CB 3.79Å; F273-M285 HydrophobicContact CG-CB 4.02Å; F273-M285 HydrophobicContact CG-CG 4.03Å; F273-M285 HydrophobicContact CZ-CB 3.71Å; F273-M285 HydrophobicContact CZ-CG 4.32Å; F273-A288 HydrophobicContact CB-CB 4.14Å; F273-F379 HydrophobicContact CE1-CE2 4.46Å; F273-F379 HydrophobicContact CE1-CZ 4.36Å; F273-F379 HydrophobicContact CZ-CE2 4.36Å; F273-F379 HydrophobicContact CZ-CZ 4.36Å; F273-V409 HydrophobicContact CD1-CG1 4.37Å; F273-V409 HydrophobicContact CE1-CB 4.37Å; F273-V409 HydrophobicContact CE1-CG1 4.35Å; F273-E410 CarbonylContact O-C 3.45Å; F273-E410 WeakPolarHBondContact O-CA 3.34Å; F273-V411 HydrophobicContact CB-CB 3.91Å; F273-V411 HydrophobicContact CB-CG2 3.93Å; F273-V411 HydrophobicContact CD1-CG2 4.25Å; F273-V411 PolarHBondContact N-O 3.39Å; F273-V411 PolarHBondContact O-N 3.26Å
274	S	97.1	Very high	92.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.5	162.8	172.1	0	0	0	0	109.2	Q276 L277 H278 V409	S274-Q276 PolarHBondContact O-N 3.38Å; S274-Q276 PolarHBondContact OG-N 3.36Å; S274-L277 PolarHBondContact O-N 3.28Å; S274-L277 VanDerWaalsContact O-N 3.12Å; S274-H278 PolarHBondContact N-ND1 3.49Å; S274-H278 VanDerWaalsContact N-ND1 3.13Å; S274-H278 PolarHBondContact O-N 3.43Å; S274-V409 VanDerWaalsContact CA-O 3.3Å; S274-V409 WeakPolarHBondContact CA-O 3.43Å
275	T	96.4	Very high	93.3	Very high	20 Å²	20	43.2 Å²	43.2	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-51.3	-35.3	170.4	42.9	0	0	0	0	113.3	F273 L277 G279 E280 F379 A408 V409	F273-T275 HydrophobicContact CE1-CG2 4.25Å; T275-L277 PolarHBondContact O-N 2.87Å; T275-G279 VanDerWaalsContact O-CA 3.3Å; T275-G279 WeakPolarHBondContact O-CA 3.35Å; T275-G279 PolarHBondContact O-N 3.27Å; T275-E280 HydrophobicContact CG2-CG 4.46Å; T275-F379 HydrophobicContact CG2-CE1 3.85Å; T275-F379 HydrophobicContact CG2-CZ 3.58Å; T275-A408 WeakPolarHBondContact OG1-CA 3.44Å; T275-V409 HydrophobicContact CG2-CB 3.95Å; T275-V409 HydrophobicContact CG2-CG2 4.37Å; T275-V409 PolarHBondContact N-O 3.2Å; T275-V409 PolarHBondContact OG1-N 2.68Å; T275-V409 VanDerWaalsContact OG1-N 3.14Å; T275-V409 PolarHBondContact OG1-O 3.02Å
276	Q	94.9	Very high	94	Very high	63 Å²	63	42.1 Å²	42.1	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-34.3	179.2	-72.9	176	53.2	0	0	113.3	T246 S274	T246-Q276 PolarHBondContact O-NE2 2.86Å; T246-Q276 PolarHBondContact OG1-NE2 3.13Å; T246-Q276 PolarHBondContact OG1-OE1 3.09Å; S274-Q276 PolarHBondContact O-N 3.38Å; S274-Q276 PolarHBondContact OG-N 3.36Å
277	L	94.7	Very high	94.8	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	21%	0.206	S	C	.	.	H	α-helix	trans	-97.5	-37.5	-175.1	-61.5	-178.4	0	0	0	112.3	R244 L245 L271 S274 T275	R244-L277 HydrophobicContact CB-CD2 4.18Å; L245-L277 HydrophobicContact CB-CD1 4.46Å; L245-L277 HydrophobicContact CB-CD2 4.46Å; L245-L277 HydrophobicContact CD1-CD1 4.11Å; L245-L277 HydrophobicContact CD1-CG 4.24Å; L271-L277 HydrophobicContact CD2-CD1 3.81Å; S274-L277 PolarHBondContact O-N 3.28Å; S274-L277 VanDerWaalsContact O-N 3.12Å; T275-L277 PolarHBondContact O-N 2.87Å
278	H	94.9	Very high	95.1	Very high	72 Å²	72	39.1 Å²	39.1	33%	0.333	21%	0.209	S	C	.	.	H	α-helix	trans	-112.3	-5	-168.7	-50.3	131	0	0	0	114	F273 S274 R284	F273-H278 WeakPolarHBondContact CA-ND1 3.42Å; F273-H278 HydrophobicContact CD2-CB 3.91Å; F273-H278 AromaticContact CD2-ND1 3.79Å; F273-H278 HydrophobicContact CE2-CB 3.73Å; S274-H278 PolarHBondContact N-ND1 3.49Å; S274-H278 VanDerWaalsContact N-ND1 3.13Å; S274-H278 PolarHBondContact O-N 3.43Å; H278-R284 PolarHBondContact O-NH1 2.96Å
279	G	94.3	Very high	95.1	Very high	31 Å²	31	37.5 Å²	37.5	32%	0.32	20%	0.198	S	C	.	.			trans	79.2	179.7	-178.9	0	0	0	0	0	114	F273 T275 S281	F273-G279 WeakPolarHBondContact CZ-O 3.37Å; T275-G279 VanDerWaalsContact O-CA 3.3Å; T275-G279 WeakPolarHBondContact O-CA 3.35Å; T275-G279 PolarHBondContact O-N 3.27Å; G279-S281 PolarHBondContact O-N 3.15Å
280	E	94.9	Very high	95	Very high	142 Å²	142	40.6 Å²	40.6	66%	0.664	21%	0.213	S	C	*	.	S	Bend	trans	-88.9	76.3	-176.4	-66.1	-177.4	-168.5	0	0	111.1	T275 F379	T275-E280 HydrophobicContact CG2-CG 4.46Å; E280-F379 VanDerWaalsContact CA-CE1 3.41Å; E280-F379 HydrophobicContact CB-CD1 3.51Å; E280-F379 HydrophobicContact CB-CE1 3.51Å; E280-F379 HydrophobicContact CB-CZ 4.48Å; E280-F379 HydrophobicContact CG-CD1 4.13Å; E280-F379 HydrophobicContact CG-CE1 3.74Å
281	S	94.9	Very high	94.5	Very high	35 Å²	35	45.2 Å²	45.2	25%	0.245	24%	0.236	C	C	.	.			trans	-135.5	113.8	-179	178	0	0	0	0	111.6	G279 T283 R284 M285	G279-S281 PolarHBondContact O-N 3.15Å; S281-T283 VanDerWaalsContact C-N 3.33Å; S281-T283 PolarHBondContact O-N 3.4Å; S281-R284 PolarHBondContact O-N 3.46Å; S281-R284 PolarHBondContact OG-N 3.43Å; S281-M285 PolarHBondContact O-N 3.04Å; S281-M285 VanDerWaalsContact O-N 3.1Å
282	F	95.4	Very high	94.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-44.3	177	-172.2	-86.3	0	0	0	111.3	R284 M285 A286 L351 Q353 G361 L362 L375 D376 S377 F379	F282-R284 VanDerWaalsContact C-N 3.32Å; F282-R284 PolarHBondContact O-N 3.16Å; F282-M285 HydrophobicContact CD2-CE 3.64Å; F282-M285 HydrophobicContact CE2-CE 3.62Å; F282-M285 HydrophobicContact CG-CE 4.39Å; F282-M285 HydrophobicContact CZ-CE 4.35Å; F282-M285 WeakPolarHBondContact O-CB 3.4Å; F282-M285 PolarHBondContact O-N 3.4Å; F282-M285 VanDerWaalsContact O-N 3.15Å; F282-A286 HydrophobicContact CD1-CB 4.17Å; F282-A286 HydrophobicContact CE1-CB 3.92Å; F282-A286 WeakPolarHBondContact O-CB 3.38Å; F282-A286 PolarHBondContact O-N 2.9Å; F282-L351 HydrophobicContact CE1-CD1 4Å; F282-L351 HydrophobicContact CZ-CD1 3.68Å; F282-Q353 HydrophobicContact CD1-CG 4.19Å; F282-Q353 HydrophobicContact CE1-CG 3.65Å; F282-G361 VanDerWaalsContact CZ-C 3.5Å; F282-L362 HydrophobicContact CE2-CB 4.06Å; F282-L362 HydrophobicContact CZ-CB 4.1Å; F282-L375 HydrophobicContact CD2-CG 4.31Å; F282-L375 HydrophobicContact CE2-CG 4.24Å; F282-D376 WeakPolarHBondContact CD2-O 3.36Å; F282-S377 WeakPolarHBondContact CB-O 3.31Å; F282-F379 HydrophobicContact CB-CB 4.27Å; F282-F379 HydrophobicContact CB-CD2 3.87Å
283	T	94.6	Very high	93.6	Very high	82 Å²	82	46.7 Å²	46.7	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-58.3	-41.3	178.9	-51.8	0	0	0	0	112.4	S281 A287	S281-T283 VanDerWaalsContact C-N 3.33Å; S281-T283 PolarHBondContact O-N 3.4Å; T283-A287 WeakPolarHBondContact O-CB 3.37Å; T283-A287 PolarHBondContact O-N 3.39Å
284	R	95.3	Very high	93.5	Very high	156 Å²	156	47.6 Å²	47.6	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-66.7	-42.5	176.1	-69.8	-177	-177.1	179.6	-2.3	111.9	F273 H278 S281 F282 A287 A288	F273-R284 HydrophobicContact CE2-CB 4.1Å; H278-R284 PolarHBondContact O-NH1 2.96Å; S281-R284 PolarHBondContact O-N 3.46Å; S281-R284 PolarHBondContact OG-N 3.43Å; F282-R284 VanDerWaalsContact C-N 3.32Å; F282-R284 PolarHBondContact O-N 3.16Å; R284-A287 PolarHBondContact O-N 2.71Å; R284-A288 PolarHBondContact O-N 3.2Å; R284-A288 VanDerWaalsContact O-N 3.12Å
285	M	96.3	Very high	93.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-46.6	176.6	-176.7	-170.7	74.3	0	0	111.6	F273 S281 F282 A287 A288 L289 L362 L375 F379 V409 V411	F273-M285 HydrophobicContact CD1-CB 3.94Å; F273-M285 HydrophobicContact CD1-CG 3.71Å; F273-M285 HydrophobicContact CD1-SD 4.41Å; F273-M285 HydrophobicContact CD2-CB 3.95Å; F273-M285 HydrophobicContact CD2-CG 4.46Å; F273-M285 HydrophobicContact CE1-CB 3.79Å; F273-M285 HydrophobicContact CE1-CG 3.87Å; F273-M285 HydrophobicContact CE1-SD 4.23Å; F273-M285 HydrophobicContact CE2-CB 3.79Å; F273-M285 HydrophobicContact CG-CB 4.02Å; F273-M285 HydrophobicContact CG-CG 4.03Å; F273-M285 HydrophobicContact CZ-CB 3.71Å; F273-M285 HydrophobicContact CZ-CG 4.32Å; S281-M285 PolarHBondContact O-N 3.04Å; S281-M285 VanDerWaalsContact O-N 3.1Å; F282-M285 HydrophobicContact CD2-CE 3.64Å; F282-M285 HydrophobicContact CE2-CE 3.62Å; F282-M285 HydrophobicContact CG-CE 4.39Å; F282-M285 HydrophobicContact CZ-CE 4.35Å; F282-M285 WeakPolarHBondContact O-CB 3.4Å; F282-M285 PolarHBondContact O-N 3.4Å; F282-M285 VanDerWaalsContact O-N 3.15Å; M285-A287 VanDerWaalsContact C-N 3.31Å; M285-A287 PolarHBondContact O-N 2.7Å; M285-A288 WeakPolarHBondContact O-CB 3.42Å; M285-A288 PolarHBondContact O-N 3Å; M285-A288 VanDerWaalsContact O-N 3.15Å; M285-L289 HydrophobicContact CE-CD1 4.24Å; M285-L289 HydrophobicContact CG-CD1 4Å; M285-L289 VanDerWaalsContact O-CG 3.31Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 3.14Å; M285-L362 HydrophobicContact CE-CD1 4.49Å; M285-L375 HydrophobicContact CE-CD2 3.56Å; M285-L375 HydrophobicContact CE-CG 4.4Å; M285-L375 HydrophobicContact SD-CD2 3.86Å; M285-F379 HydrophobicContact SD-CE2 4.18Å; M285-V409 HydrophobicContact SD-CG1 3.85Å; M285-V411 HydrophobicContact CG-CG2 4.15Å
286	A	95.3	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-37.8	178.1	0	0	0	0	0	112.1	F282 L289 Q290 L351	F282-A286 HydrophobicContact CD1-CB 4.17Å; F282-A286 HydrophobicContact CE1-CB 3.92Å; F282-A286 WeakPolarHBondContact O-CB 3.38Å; F282-A286 PolarHBondContact O-N 2.9Å; A286-L289 PolarHBondContact O-N 2.83Å; A286-Q290 WeakPolarHBondContact O-CG 3.42Å; A286-Q290 PolarHBondContact O-N 3.44Å; A286-Q290 VanDerWaalsContact O-N 3.14Å; A286-Q290 PolarHBondContact O-NE2 3.09Å; A286-L351 HydrophobicContact CB-CD1 4.34Å
287	A	93.9	Very high	93.7	Very high	39 Å²	39	43.7 Å²	43.7	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-44.3	172.6	0	0	0	0	0	111.8	T283 R284 M285 L289 Q290 H291	T283-A287 WeakPolarHBondContact O-CB 3.37Å; T283-A287 PolarHBondContact O-N 3.39Å; R284-A287 PolarHBondContact O-N 2.71Å; M285-A287 VanDerWaalsContact C-N 3.31Å; M285-A287 PolarHBondContact O-N 2.7Å; A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.18Å; A287-Q290 PolarHBondContact O-N 3.15Å; A287-H291 PolarHBondContact O-CD2 3.29Å; A287-H291 PolarHBondContact O-N 3.33Å
288	A	92.9	Very high	93.9	Very high	14 Å²	14	41.2 Å²	41.2	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-39.5	175.8	0	0	0	0	0	112.3	V272 F273 R284 M285 Q290 H292	V272-A288 HydrophobicContact CB-CB 4.43Å; V272-A288 HydrophobicContact CG2-CB 4.37Å; F273-A288 HydrophobicContact CB-CB 4.14Å; R284-A288 PolarHBondContact O-N 3.2Å; R284-A288 VanDerWaalsContact O-N 3.12Å; M285-A288 WeakPolarHBondContact O-CB 3.42Å; M285-A288 PolarHBondContact O-N 3Å; M285-A288 VanDerWaalsContact O-N 3.15Å; A288-Q290 VanDerWaalsContact C-N 3.32Å; A288-Q290 PolarHBondContact O-N 3.1Å; A288-H292 WeakPolarHBondContact O-CB 3.31Å; A288-H292 PolarHBondContact O-CD2 2.83Å; A288-H292 PolarHBondContact O-N 3.44Å
289	L	93.6	Very high	94.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-27	178.6	-71.2	166.1	0	0	0	113.7	M285 A286 A287 H292 T295 W315 L362 V411	M285-L289 HydrophobicContact CE-CD1 4.24Å; M285-L289 HydrophobicContact CG-CD1 4Å; M285-L289 VanDerWaalsContact O-CG 3.31Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 3.14Å; A286-L289 PolarHBondContact O-N 2.83Å; A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.18Å; L289-H292 VanDerWaalsContact O-O 3.07Å; L289-T295 HydrophobicContact CD2-CG2 4.3Å; L289-W315 HydrophobicContact CB-CB 4.06Å; L289-W315 HydrophobicContact CB-CG 3.84Å; L289-W315 HydrophobicContact CD2-CG 4.4Å; L289-W315 PolarHBondContact O-N 3.35Å; L289-W315 VanDerWaalsContact O-N 3.08Å; L289-L362 HydrophobicContact CD1-CD1 3.47Å; L289-L362 VanDerWaalsContact CD1-CD1 3.47Å; L289-V411 HydrophobicContact CD2-CB 4.41Å; L289-V411 HydrophobicContact CD2-CG1 3.45Å; L289-V411 VanDerWaalsContact CD2-CG1 3.45Å; L289-V411 HydrophobicContact CD2-CG2 4.05Å; L289-V411 HydrophobicContact CG-CG1 4.34Å; L289-V411 HydrophobicContact CG-CG2 4.47Å
290	Q	91.9	Very high	94.3	Very high	66 Å²	66	39.8 Å²	39.8	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-75.2	-39.5	177.9	-81.4	166.7	89.4	0	0	113.2	A286 A287 A288 W315 H317	A286-Q290 WeakPolarHBondContact O-CG 3.42Å; A286-Q290 PolarHBondContact O-N 3.44Å; A286-Q290 VanDerWaalsContact O-N 3.14Å; A286-Q290 PolarHBondContact O-NE2 3.09Å; A287-Q290 PolarHBondContact O-N 3.15Å; A288-Q290 VanDerWaalsContact C-N 3.32Å; A288-Q290 PolarHBondContact O-N 3.1Å; Q290-W315 WeakPolarHBondContact CA-O 3.46Å; Q290-W315 WeakPolarHBondContact CG-O 3.46Å; Q290-H317 PolarHBondContact NE2-CD2 3.17Å; Q290-H317 PolarHBondContact NE2-NE2 3.42Å; Q290-H317 PolarHBondContact OE1-CD2 3Å
291	H	85.8	Confident	94.4	Very high	132 Å²	132	33.1 Å²	33.1	61%	0.611	17%	0.171	S	C	*	.	H	α-helix	trans	-90.2	-4.4	-175.5	-61.3	-60	0	0	0	113.4	A287	A287-H291 PolarHBondContact O-CD2 3.29Å; A287-H291 PolarHBondContact O-N 3.33Å
292	H	87.8	Confident	94.5	Very high	47 Å²	47	35.3 Å²	35.3	22%	0.218	19%	0.187	C	C	.	.	S	Bend	trans	-135.4	124.6	-176.2	-56.1	-50.4	0	0	0	110.6	V272 A288 L289 T295 A413	V272-H292 HydrophobicContact CG1-CB 4.12Å; V272-H292 WeakPolarHBondContact CG1-CD2 3.38Å; V272-H292 HydrophobicContact CG2-CB 4.36Å; A288-H292 WeakPolarHBondContact O-CB 3.31Å; A288-H292 PolarHBondContact O-CD2 2.83Å; A288-H292 PolarHBondContact O-N 3.44Å; L289-H292 VanDerWaalsContact O-O 3.07Å; H292-T295 WeakPolarHBondContact O-CG2 3.46Å; H292-A413 HydrophobicContact CB-CB 4Å
293	G	84.9	Confident	94.7	Very high	23 Å²	23	41.4 Å²	41.4	24%	0.237	21%	0.21	C	C	.	.			trans	-165.3	153.6	175.9	0	0	0	0	0	112.2
294	P	94.5	Very high	94.8	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.143	20%	0.199	C	C	.	.	S	Bend	cis	-58.5	158	-11.7	21.6	-36.1	0	0	0	115.1	F310 A311 V414 G415	P294-F310 HydrophobicContact CB-CE2 3.69Å; P294-F310 HydrophobicContact CB-CZ 3.71Å; P294-F310 HydrophobicContact CG-CE2 4.5Å; P294-F310 HydrophobicContact CG-CZ 4.45Å; P294-A311 VanDerWaalsContact CA-O 3.28Å; P294-A311 WeakPolarHBondContact CA-O 3.37Å; P294-A311 WeakPolarHBondContact CB-O 3.27Å; P294-V414 HydrophobicContact CB-CG2 4.16Å; P294-V414 HydrophobicContact CG-CG2 4.18Å; P294-V414 PolarHBondContact O-N 3.16Å; P294-G415 PolarHBondContact O-N 2.88Å
295	T	96.6	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.6	-176.5	60.6	0	0	0	0	113.8	L289 H292 F310 A311 W315 V411 W412	L289-T295 HydrophobicContact CD2-CG2 4.3Å; H292-T295 WeakPolarHBondContact O-CG2 3.46Å; T295-F310 WeakPolarHBondContact O-CA 3.08Å; T295-A311 PolarHBondContact N-O 2.83Å; T295-A311 PolarHBondContact O-N 3.46Å; T295-W315 PolarHBondContact OG1-NE1 3.01Å; T295-W315 VanDerWaalsContact OG1-NE1 3.09Å; T295-V411 HydrophobicContact CG2-CG1 4.07Å; T295-W412 CarbonylContact C-O 3.46Å; T295-W412 VanDerWaalsContact CA-O 3.23Å; T295-W412 WeakPolarHBondContact CA-O 3.42Å
296	M	97.4	Very high	95.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.9	163.4	-71.1	-72.1	-74.7	0	0	109.3	L257 L261 W269 L298 F310 F328 F330 V411 W412 V414	L257-M296 HydrophobicContact CB-CE 4.37Å; L257-M296 HydrophobicContact CD1-CE 4.24Å; L261-M296 HydrophobicContact CD2-CG 4.11Å; L261-M296 HydrophobicContact CD2-SD 3.68Å; W269-M296 HydrophobicContact CH2-CB 4.48Å; W269-M296 HydrophobicContact CH2-CE 4.12Å; W269-M296 HydrophobicContact CH2-CG 3.87Å; W269-M296 HydrophobicContact CZ2-CG 4.28Å; W269-M296 HydrophobicContact CZ3-CB 4.4Å; W269-M296 HydrophobicContact CZ3-CG 4.25Å; M296-L298 HydrophobicContact CB-CD1 4.33Å; M296-F310 HydrophobicContact CG-CD2 4.23Å; M296-F310 HydrophobicContact SD-CB 3.68Å; M296-F310 HydrophobicContact SD-CD2 3.71Å; M296-F310 HydrophobicContact SD-CG 4.14Å; M296-F328 HydrophobicContact SD-CZ 4.36Å; M296-F330 HydrophobicContact CE-CD1 4.15Å; M296-F330 HydrophobicContact CE-CE1 3.37Å; M296-F330 HydrophobicContact CE-CE2 4.47Å; M296-F330 HydrophobicContact CE-CZ 3.58Å; M296-F330 HydrophobicContact SD-CE1 4.03Å; M296-V411 WeakPolarHBondContact O-CA 3.44Å; M296-W412 HydrophobicContact CB-CB 4.23Å; M296-W412 PolarHBondContact N-O 2.79Å; M296-W412 PolarHBondContact O-N 2.88Å; M296-V414 HydrophobicContact CB-CG1 4.32Å; M296-V414 HydrophobicContact CG-CG1 3.76Å; M296-V414 HydrophobicContact CG-CG2 4.41Å
297	L	98.1	Very high	95.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.9	173.3	175.4	67.7	0	0	0	108.9	L299 G308 G309 L362 L373 V409 V411	L297-L299 HydrophobicContact CD2-CD1 4.03Å; L297-L299 HydrophobicContact CG-CD1 3.82Å; L297-L299 HydrophobicContact CG-CG 4.44Å; L297-G308 CarbonylContact O-C 3.56Å; L297-G308 WeakPolarHBondContact O-CA 3.37Å; L297-G309 PolarHBondContact N-O 2.95Å; L297-G309 PolarHBondContact O-N 3.31Å; L297-L362 HydrophobicContact CD2-CD1 4.35Å; L297-L362 HydrophobicContact CD2-CD2 3.67Å; L297-L373 HydrophobicContact CD2-CD2 4.35Å; L297-V409 HydrophobicContact CD1-CG1 3.78Å; L297-V411 HydrophobicContact CD1-CG2 3.78Å
298	L	98.4	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139	173.6	-67.1	98.7	0	0	0	110.7	L248 L249 M296 F330 V409 E410	L248-L298 HydrophobicContact CB-CD2 4.36Å; L248-L298 HydrophobicContact CD1-CB 3.84Å; L249-L298 HydrophobicContact CD1-CD1 4.49Å; L249-L298 HydrophobicContact CD1-CD2 3.85Å; L249-L298 HydrophobicContact CD2-CD2 3.43Å; L249-L298 VanDerWaalsContact CD2-CD2 3.43Å; L249-L298 HydrophobicContact CG-CD2 3.46Å; L249-L298 VanDerWaalsContact CG-CD2 3.46Å; M296-L298 HydrophobicContact CB-CD1 4.33Å; L298-F330 HydrophobicContact CD2-CE2 4.3Å; L298-F330 HydrophobicContact CD2-CZ 4.5Å; L298-F330 HydrophobicContact CG-CE2 4.25Å; L298-F330 HydrophobicContact CG-CZ 4.03Å; L298-V409 CarbonylContact O-C 3.55Å; L298-V409 WeakPolarHBondContact O-CA 3.18Å; L298-E410 HydrophobicContact CB-CB 4.31Å; L298-E410 PolarHBondContact N-O 2.95Å; L298-E410 PolarHBondContact O-N 2.74Å
299	L	98.4	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.8	178.2	-49.7	92.1	0	0	0	108.8	L297 V306 F307 L373 L375 L406 A408 V409	L297-L299 HydrophobicContact CD2-CD1 4.03Å; L297-L299 HydrophobicContact CG-CD1 3.82Å; L297-L299 HydrophobicContact CG-CG 4.44Å; L299-V306 WeakPolarHBondContact O-CA 3.2Å; L299-F307 HydrophobicContact CB-CE2 4.16Å; L299-F307 HydrophobicContact CB-CZ 4.43Å; L299-F307 HydrophobicContact CD1-CD2 4.41Å; L299-F307 HydrophobicContact CD1-CE2 4.42Å; L299-F307 PolarHBondContact N-O 2.83Å; L299-F307 PolarHBondContact O-N 3.49Å; L299-L373 HydrophobicContact CD1-CD1 4.06Å; L299-L373 HydrophobicContact CD1-CD2 3.82Å; L299-L373 HydrophobicContact CD2-CD1 4.31Å; L299-L375 HydrophobicContact CD2-CD2 4.31Å; L299-L406 HydrophobicContact CB-CD2 4.01Å; L299-L406 HydrophobicContact CD2-CD2 3.7Å; L299-L406 HydrophobicContact CG-CD2 4.4Å; L299-A408 CarbonylContact C-O 3.55Å; L299-A408 WeakPolarHBondContact CA-O 3.19Å; L299-V409 HydrophobicContact CD2-CG2 4.42Å; L299-V409 HydrophobicContact CG-CG2 4.47Å
300	R	98.4	Very high	95.9	Very high	72 Å²	72	31.4 Å²	31.4	27%	0.272	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.9	164.7	-173.2	169.3	66.4	-147.1	-1.3	108.8	L248 H305 V306 D407 A408	L248-R300 HydrophobicContact CD1-CB 4.23Å; L248-R300 HydrophobicContact CD2-CB 3.8Å; L248-R300 HydrophobicContact CD2-CG 4.43Å; R300-H305 VanDerWaalsContact CA-O 3.25Å; R300-H305 WeakPolarHBondContact CA-O 3.43Å; R300-V306 HydrophobicContact CB-CG2 4.2Å; R300-V306 HydrophobicContact CG-CG2 3.93Å; R300-D407 IonicContact CZ-OD2 2.96Å; R300-D407 IonicContact NE-OD2 3.62Å; R300-D407 PolarHBondContact NE-OD2 3.03Å; R300-D407 IonicContact NH2-OD2 3.19Å; R300-D407 PolarHBondContact NH2-OD2 3.43Å; R300-D407 PolarHBondContact O-N 3.07Å; R300-A408 HydrophobicContact CB-CB 4.2Å; R300-A408 PolarHBondContact N-O 3.29Å; R300-A408 PolarHBondContact O-N 2.81Å
301	D	98.2	Very high	96.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	167.5	172.6	74.3	19.2	0	0	0	112.1	R303 G304 H305 F307 A400 F404 V405	D301-R303 PolarHBondContact O-N 3.19Å; D301-R303 VanDerWaalsContact OD1-CA 3.29Å; D301-R303 WeakPolarHBondContact OD1-CA 3.4Å; D301-R303 PolarHBondContact OD1-N 3.41Å; D301-G304 PolarHBondContact O-N 3.41Å; D301-G304 PolarHBondContact OD1-N 3.41Å; D301-H305 PolarHBondContact N-O 2.9Å; D301-H305 PolarHBondContact OD1-N 2.77Å; D301-H305 WeakPolarHBondContact OD2-CB 3.48Å; D301-H305 IonicContact OD2-CG 3.46Å; D301-F307 HydrophobicContact CB-CE1 4.24Å; D301-A400 VanDerWaalsContact OD2-CB 3.28Å; D301-A400 WeakPolarHBondContact OD2-CB 3.46Å; D301-A400 PolarHBondContact OD2-N 3.45Å; D301-F404 HydrophobicContact CB-CB 4.06Å; D301-F404 HydrophobicContact CB-CD2 4.42Å; D301-F404 HydrophobicContact CB-CG 4.43Å; D301-V405 CarbonylContact C-O 3.52Å; D301-V405 WeakPolarHBondContact CA-O 3.41Å
302	S	97.7	Very high	96.6	Very high	81 Å²	81	22.4 Å²	22.4	57%	0.566	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-8	179.3	68.7	0	0	0	0	114.3	V405	S302-V405 PolarHBondContact N-O 3.12Å
303	R	98	Very high	96.8	Very high	133 Å²	133	22.5 Å²	22.5	50%	0.502	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11	171.9	-56	-145.7	-57.5	-144.2	-1.5	112.1	D301 H305 A400 D401	D301-R303 PolarHBondContact O-N 3.19Å; D301-R303 VanDerWaalsContact OD1-CA 3.29Å; D301-R303 WeakPolarHBondContact OD1-CA 3.4Å; D301-R303 PolarHBondContact OD1-N 3.41Å; R303-H305 VanDerWaalsContact C-N 3.33Å; R303-H305 PolarHBondContact O-N 3.38Å; R303-A400 HydrophobicContact CB-CB 3.73Å; R303-A400 HydrophobicContact CG-CB 4.15Å; R303-A400 PolarHBondContact NH2-O 2.97Å; R303-D401 IonicContact CZ-OD1 3.26Å; R303-D401 IonicContact CZ-OD2 2.78Å; R303-D401 IonicContact NE-OD2 3.67Å; R303-D401 IonicContact NH1-OD1 3.63Å; R303-D401 PolarHBondContact NH1-OD1 2.79Å; R303-D401 IonicContact NH1-OD2 2.74Å; R303-D401 PolarHBondContact NH1-OD2 3.15Å; R303-D401 IonicContact NH2-OD1 2.95Å; R303-D401 PolarHBondContact NH2-OD1 2.9Å; R303-D401 IonicContact NH2-OD2 2.68Å; R303-D401 PolarHBondContact NH2-OD2 3.17Å
304	G	97.5	Very high	97.2	Very high	28 Å²	28	23.1 Å²	23.1	29%	0.289	13%	0.129	S	C	.	.			trans	78.6	6.2	174.4	0	0	0	0	0	115.2	D301 F333	D301-G304 PolarHBondContact O-N 3.41Å; D301-G304 PolarHBondContact OD1-N 3.41Å; G304-F333 VanDerWaalsContact O-CD1 3.26Å; G304-F333 WeakPolarHBondContact O-CD1 3.24Å
305	H	98.5	Very high	97.3	Very high	38 Å²	38	22.2 Å²	22.2	18%	0.176	12%	0.123	C	C	.	.			trans	-67.6	135.4	172.7	-68.9	40.6	0	0	0	109.2	R300 D301 R303 F307 F333 P334 A400	R300-H305 VanDerWaalsContact CA-O 3.25Å; R300-H305 WeakPolarHBondContact CA-O 3.43Å; D301-H305 PolarHBondContact N-O 2.9Å; D301-H305 PolarHBondContact OD1-N 2.77Å; D301-H305 WeakPolarHBondContact OD2-CB 3.48Å; D301-H305 IonicContact OD2-CG 3.46Å; R303-H305 VanDerWaalsContact C-N 3.33Å; R303-H305 PolarHBondContact O-N 3.38Å; H305-F307 HydrophobicContact CB-CD1 4.06Å; H305-F307 HydrophobicContact CB-CE1 4.12Å; H305-F333 WeakPolarHBondContact CA-O 3.26Å; H305-P334 WeakPolarHBondContact CD2-CD 3.41Å; H305-P334 WeakPolarHBondContact NE2-CD 3.47Å; H305-A400 PolarHBondContact CD2-N 3.1Å; H305-A400 VanDerWaalsContact CE1-CB 3.44Å; H305-A400 WeakPolarHBondContact CE1-CB 3.14Å; H305-A400 WeakPolarHBondContact ND1-CB 3.5Å
306	V	98.8	Very high	97.2	Very high	13 Å²	13	27.4 Å²	27.4	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.3	179.6	-177.2	0	0	0	0	108.2	L248 L299 R300 V332 F333	L248-V306 HydrophobicContact CB-CG1 4.27Å; L248-V306 HydrophobicContact CD1-CG1 4.39Å; L299-V306 WeakPolarHBondContact O-CA 3.2Å; R300-V306 HydrophobicContact CB-CG2 4.2Å; R300-V306 HydrophobicContact CG-CG2 3.93Å; V306-V332 HydrophobicContact CB-CB 4.02Å; V306-V332 HydrophobicContact CG1-CB 3.87Å; V306-V332 HydrophobicContact CG1-CG1 4.31Å; V306-V332 HydrophobicContact CG1-CG2 4.19Å; V306-V332 WeakPolarHBondContact O-CA 3.44Å; V306-V332 WeakPolarHBondContact O-CB 3.23Å; V306-V332 PolarHBondContact O-N 3.24Å; V306-F333 HydrophobicContact CB-CB 4.29Å; V306-F333 HydrophobicContact CG2-CB 4.49Å; V306-F333 PolarHBondContact N-O 3.44Å; V306-F333 PolarHBondContact O-N 2.88Å
307	F	98.8	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	172.3	-175.2	53.8	-89.3	0	0	0	110	L299 D301 H305 F330 L373 L398 S399 F404	L299-F307 HydrophobicContact CB-CE2 4.16Å; L299-F307 HydrophobicContact CB-CZ 4.43Å; L299-F307 HydrophobicContact CD1-CD2 4.41Å; L299-F307 HydrophobicContact CD1-CE2 4.42Å; L299-F307 PolarHBondContact N-O 2.83Å; L299-F307 PolarHBondContact O-N 3.49Å; D301-F307 HydrophobicContact CB-CE1 4.24Å; H305-F307 HydrophobicContact CB-CD1 4.06Å; H305-F307 HydrophobicContact CB-CE1 4.12Å; F307-F330 WeakPolarHBondContact CA-O 3.36Å; F307-F330 WeakPolarHBondContact CB-O 3.37Å; F307-L373 HydrophobicContact CD2-CD1 3.98Å; F307-L373 HydrophobicContact CE2-CD1 3.64Å; F307-L398 HydrophobicContact CB-CB 3.84Å; F307-L398 HydrophobicContact CD1-CB 4.43Å; F307-L398 WeakPolarHBondContact CD1-O 3.1Å; F307-L398 HydrophobicContact CD2-CB 3.86Å; F307-L398 HydrophobicContact CD2-CD1 4.42Å; F307-L398 HydrophobicContact CG-CB 3.78Å; F307-S399 VanDerWaalsContact CE1-CA 3.49Å; F307-F404 HydrophobicContact CE2-CE1 4.04Å; F307-F404 HydrophobicContact CE2-CZ 4.01Å; F307-F404 HydrophobicContact CZ-CD1 4.18Å; F307-F404 HydrophobicContact CZ-CD2 4.47Å; F307-F404 AromaticContact CZ-CE1 3.91Å; F307-F404 HydrophobicContact CZ-CE1 3.91Å; F307-F404 HydrophobicContact CZ-CE2 4.28Å; F307-F404 HydrophobicContact CZ-CG 4.43Å; F307-F404 AromaticContact CZ-CZ 3.98Å; F307-F404 HydrophobicContact CZ-CZ 3.98Å
308	G	98.5	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-166.5	-174.1	0	0	0	0	0	114.8	L297 L329 F330	L297-G308 CarbonylContact O-C 3.56Å; L297-G308 WeakPolarHBondContact O-CA 3.37Å; G308-L329 WeakPolarHBondContact O-CA 3.49Å; G308-L329 WeakPolarHBondContact O-CD2 3.26Å; G308-F330 PolarHBondContact N-O 3.15Å; G308-F330 PolarHBondContact O-N 3.12Å
309	G	98.3	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.5	178.8	0	0	0	0	0	112.8	L297 F328 F330	L297-G309 PolarHBondContact N-O 2.95Å; L297-G309 PolarHBondContact O-N 3.31Å; G309-F328 CarbonylContact C-O 3.57Å; G309-F328 VanDerWaalsContact CA-O 3.26Å; G309-F328 WeakPolarHBondContact CA-O 3.18Å; G309-F330 VanDerWaalsContact N-CE1 3.31Å
310	F	98.3	Very high	96.2	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.1	168.3	172.4	-103.3	0	0	0	109.5	L261 P262 P294 T295 M296 R326 C327 F328 M364 V414	L261-F310 HydrophobicContact CD2-CD2 3.51Å; L261-F310 HydrophobicContact CD2-CE2 3.67Å; L261-F310 HydrophobicContact CD2-CG 4.22Å; P262-F310 HydrophobicContact CG-CE1 3.69Å; P262-F310 HydrophobicContact CG-CZ 4.02Å; P294-F310 HydrophobicContact CB-CE2 3.69Å; P294-F310 HydrophobicContact CB-CZ 3.71Å; P294-F310 HydrophobicContact CG-CE2 4.5Å; P294-F310 HydrophobicContact CG-CZ 4.45Å; T295-F310 WeakPolarHBondContact O-CA 3.08Å; M296-F310 HydrophobicContact CG-CD2 4.23Å; M296-F310 HydrophobicContact SD-CB 3.68Å; M296-F310 HydrophobicContact SD-CD2 3.71Å; M296-F310 HydrophobicContact SD-CG 4.14Å; F310-R326 WeakPolarHBondContact CD1-O 3.21Å; F310-C327 VanDerWaalsContact O-CA 3.3Å; F310-C327 WeakPolarHBondContact O-CA 3.15Å; F310-C327 WeakPolarHBondContact O-CB 3.28Å; F310-F328 HydrophobicContact CB-CD1 3.68Å; F310-F328 HydrophobicContact CB-CD2 3.99Å; F310-F328 HydrophobicContact CB-CE1 3.36Å; F310-F328 HydrophobicContact CB-CE2 3.7Å; F310-F328 HydrophobicContact CB-CG 3.99Å; F310-F328 HydrophobicContact CB-CZ 3.37Å; F310-F328 AromaticContact CD1-CD1 3.71Å; F310-F328 HydrophobicContact CD1-CD1 3.71Å; F310-F328 AromaticContact CD1-CE1 3.51Å; F310-F328 HydrophobicContact CD1-CE1 3.51Å; F310-F328 HydrophobicContact CD1-CZ 4.35Å; F310-F328 HydrophobicContact CD2-CE1 4.45Å; F310-F328 HydrophobicContact CE1-CE1 4.43Å; F310-F328 HydrophobicContact CG-CD1 4.01Å; F310-F328 AromaticContact CG-CE1 3.52Å; F310-F328 HydrophobicContact CG-CE1 3.52Å; F310-F328 AromaticContact CG-CZ 3.89Å; F310-F328 HydrophobicContact CG-CZ 3.89Å; F310-F328 PolarHBondContact N-O 2.89Å; F310-F328 PolarHBondContact O-N 3.42Å; F310-M364 VanDerWaalsContact O-CE 3.26Å; F310-M364 WeakPolarHBondContact O-CE 3.35Å; F310-V414 HydrophobicContact CD2-CG2 4.31Å; F310-V414 HydrophobicContact CE2-CG2 3.7Å
311	A	97.1	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	171.2	0	0	0	0	0	109.7	P294 T295 T313 W315 M349	P294-A311 VanDerWaalsContact CA-O 3.28Å; P294-A311 WeakPolarHBondContact CA-O 3.37Å; P294-A311 WeakPolarHBondContact CB-O 3.27Å; T295-A311 PolarHBondContact N-O 2.83Å; T295-A311 PolarHBondContact O-N 3.46Å; A311-T313 VanDerWaalsContact C-N 3.3Å; A311-T313 PolarHBondContact O-N 2.86Å; A311-W315 HydrophobicContact CB-CZ2 3.55Å; A311-M349 HydrophobicContact CB-CE 4.13Å; A311-M349 HydrophobicContact CB-SD 3.9Å
312	S	94.4	Very high	96.1	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-77	-14.4	-172.7	60.7	0	0	0	0	114.5	D324 C327	S312-D324 WeakPolarHBondContact CB-OD1 3.29Å; S312-D324 PolarHBondContact OG-OD1 2.96Å; S312-C327 PolarHBondContact N-SG 3.01Å; S312-C327 PolarHBondContact OG-SG 3.14Å
313	T	92.9	Very high	95.9	Very high	49 Å²	49	37.8 Å²	37.8	30%	0.301	20%	0.2	S	C	.	.	S	Bend	trans	-131.9	169.6	177.9	63.3	0	0	0	0	110.8	A311	A311-T313 VanDerWaalsContact C-N 3.3Å; A311-T313 PolarHBondContact O-N 2.86Å
314	A	93.4	Very high	95.9	Very high	36 Å²	36	33.6 Å²	33.6	30%	0.298	19%	0.188	S	C	.	.			trans	-62.2	154.4	164	0	0	0	0	0	109.9
315	W	95.5	Very high	95.8	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	20%	0.201	C	C	.	.			trans	-88.7	132.6	-176.6	-62.1	70.8	0	0	0	110.6	L289 Q290 T295 A311 M349 Y350 L351 L362 M364	L289-W315 HydrophobicContact CB-CB 4.06Å; L289-W315 HydrophobicContact CB-CG 3.84Å; L289-W315 HydrophobicContact CD2-CG 4.4Å; L289-W315 PolarHBondContact O-N 3.35Å; L289-W315 VanDerWaalsContact O-N 3.08Å; Q290-W315 WeakPolarHBondContact CA-O 3.46Å; Q290-W315 WeakPolarHBondContact CG-O 3.46Å; T295-W315 PolarHBondContact OG1-NE1 3.01Å; T295-W315 VanDerWaalsContact OG1-NE1 3.09Å; A311-W315 HydrophobicContact CB-CZ2 3.55Å; W315-M349 HydrophobicContact CB-CE 4.16Å; W315-M349 HydrophobicContact CD2-CE 3.33Å; W315-M349 HydrophobicContact CE3-CB 4.29Å; W315-M349 HydrophobicContact CE3-CE 3.47Å; W315-M349 VanDerWaalsContact CE3-CE 3.47Å; W315-M349 HydrophobicContact CG-CE 3.62Å; W315-M349 HydrophobicContact CH2-CB 3.9Å; W315-M349 HydrophobicContact CH2-CE 4.44Å; W315-M349 HydrophobicContact CZ2-CE 4.33Å; W315-M349 HydrophobicContact CZ3-CB 3.7Å; W315-M349 HydrophobicContact CZ3-CE 4.04Å; W315-Y350 WeakPolarHBondContact CZ3-O 3.25Å; W315-L351 HydrophobicContact CB-CD2 3.6Å; W315-L351 HydrophobicContact CE3-CB 3.71Å; W315-L351 HydrophobicContact CE3-CD2 4.48Å; W315-L351 HydrophobicContact CG-CD2 4.42Å; W315-L351 HydrophobicContact CZ3-CB 4.38Å; W315-L362 HydrophobicContact CD2-CD1 4.31Å; W315-L362 HydrophobicContact CE3-CD1 4.03Å; W315-L362 HydrophobicContact CE3-CG 4.22Å; W315-L362 HydrophobicContact CH2-CD1 3.64Å; W315-L362 HydrophobicContact CH2-CD2 3.66Å; W315-L362 HydrophobicContact CH2-CG 3.61Å; W315-L362 HydrophobicContact CZ2-CD1 3.95Å; W315-L362 HydrophobicContact CZ2-CD2 4.45Å; W315-L362 HydrophobicContact CZ2-CG 4.4Å; W315-L362 HydrophobicContact CZ3-CD1 3.69Å; W315-L362 HydrophobicContact CZ3-CD2 4.05Å; W315-L362 HydrophobicContact CZ3-CG 3.51Å; W315-M364 HydrophobicContact CH2-CG 3.76Å; W315-M364 HydrophobicContact CH2-SD 3.98Å; W315-M364 HydrophobicContact CZ2-SD 4.27Å
316	E	94.9	Very high	95.7	Very high	108 Å²	108	40 Å²	40	51%	0.505	22%	0.215	S	C	.	.			trans	-106.2	144.3	172.1	-55.9	169.7	-171.6	0	0	110.6	K318 Q322	E316-K318 HydrophobicContact CB-CD 4.39Å; E316-K318 PolarHBondContact O-N 3.47Å; E316-K318 WeakPolarHBondContact OE2-CE 3.36Å; E316-K318 IonicContact OE2-NZ 3.29Å; E316-K318 PolarHBondContact OE2-NZ 3.13Å; E316-Q322 VanDerWaalsContact CB-OE1 3.22Å; E316-Q322 PolarHBondContact O-NE2 2.99Å
317	H	93.8	Very high	95.7	Very high	72 Å²	72	39.4 Å²	39.4	33%	0.333	21%	0.211	S	C	.	.			trans	-77	100.6	169.7	-80.1	-52.1	0	0	0	110.6	Q290 Q353	Q290-H317 PolarHBondContact NE2-CD2 3.17Å; Q290-H317 PolarHBondContact NE2-NE2 3.42Å; Q290-H317 PolarHBondContact OE1-CD2 3Å; H317-Q353 PolarHBondContact CE1-OE1 3.44Å; H317-Q353 PolarHBondContact NE2-OE1 2.89Å
318	K	93.3	Very high	95.7	Very high	58 Å²	58	39.8 Å²	39.8	25%	0.252	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.7	174.6	64.3	-171.7	175.9	-161.7	0	111.6	E316 Q320 Q322 L351	E316-K318 HydrophobicContact CB-CD 4.39Å; E316-K318 PolarHBondContact O-N 3.47Å; E316-K318 WeakPolarHBondContact OE2-CE 3.36Å; E316-K318 IonicContact OE2-NZ 3.29Å; E316-K318 PolarHBondContact OE2-NZ 3.13Å; K318-Q320 PolarHBondContact O-N 2.87Å; K318-Q322 VanDerWaalsContact CE-CB 3.42Å; K318-L351 PolarHBondContact N-O 2.9Å; K318-L351 VanDerWaalsContact N-O 3.12Å; K318-L351 VanDerWaalsContact O-O 3.13Å
319	P	90.1	Very high	95.7	Very high	44 Å²	44	39.8 Å²	39.8	29%	0.286	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-4.3	-178.7	30.4	-35.8	0	0	0	113.8	Y350 M358	P319-Y350 WeakPolarHBondContact O-CE2 3.45Å; P319-M358 HydrophobicContact CB-CB 4.46Å; P319-M358 HydrophobicContact CB-CG 3.98Å
320	Q	94.4	Very high	95.7	Very high	115 Å²	115	39.8 Å²	39.8	54%	0.537	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	154	177.1	-57.4	85.1	-1.3	0	0	111.8	K318	K318-Q320 PolarHBondContact O-N 2.87Å
321	F	96.8	Very high	95.7	Very high	41 Å²	41	39.9 Å²	39.9	18%	0.18	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	151.1	166.7	-69.6	-84.6	0	0	0	111.5	H347 M349 Y350 H368 F371	F321-H347 VanDerWaalsContact CD1-CA 3.49Å; F321-H347 HydrophobicContact CD1-CB 3.6Å; F321-H347 HydrophobicContact CD2-CB 4.2Å; F321-H347 AromaticContact CD2-CD2 3.64Å; F321-H347 AromaticContact CD2-CG 3.87Å; F321-H347 HydrophobicContact CE1-CB 3.61Å; F321-H347 HydrophobicContact CE2-CB 4.25Å; F321-H347 AromaticContact CE2-CG 3.88Å; F321-H347 HydrophobicContact CG-CB 3.89Å; F321-H347 AromaticContact CG-CD2 3.94Å; F321-H347 HydrophobicContact CZ-CB 3.98Å; F321-M349 CarbonylContact C-O 3.44Å; F321-M349 WeakPolarHBondContact CA-O 3.3Å; F321-Y350 HydrophobicContact CD1-CD2 4.5Å; F321-Y350 HydrophobicContact CE1-CD2 4.47Å; F321-H368 AromaticContact CE2-CE1 3.85Å; F321-F371 HydrophobicContact CE1-CD1 4.42Å; F321-F371 AromaticContact CE1-CE1 3.62Å; F321-F371 HydrophobicContact CE1-CE1 3.62Å; F321-F371 HydrophobicContact CE1-CZ 4.43Å; F321-F371 AromaticContact CZ-CE1 3.87Å; F321-F371 HydrophobicContact CZ-CE1 3.87Å; F321-F371 HydrophobicContact CZ-CZ 4.31Å
322	Q	96.4	Very high	95.8	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-176.1	-176.6	72.6	-169.8	-34.3	0	0	111.4	E316 K318 F348 M349	E316-Q322 VanDerWaalsContact CB-OE1 3.22Å; E316-Q322 PolarHBondContact O-NE2 2.99Å; K318-Q322 VanDerWaalsContact CE-CB 3.42Å; Q322-F348 WeakPolarHBondContact O-CB 3.33Å; Q322-M349 VanDerWaalsContact C-CG 3.41Å; Q322-M349 HydrophobicContact CB-CG 4.5Å; Q322-M349 HydrophobicContact CG-CB 4.4Å; Q322-M349 HydrophobicContact CG-CE 3.77Å; Q322-M349 HydrophobicContact CG-CG 3.56Å; Q322-M349 HydrophobicContact CG-SD 4.1Å; Q322-M349 PolarHBondContact N-O 2.65Å; Q322-M349 WeakPolarHBondContact O-CG 3.33Å; Q322-M349 PolarHBondContact O-N 2.89Å; Q322-M349 VanDerWaalsContact O-N 3.07Å
323	G	95.2	Very high	96	Very high	32 Å²	32	42.9 Å²	42.9	33%	0.33	23%	0.226	S	C	.	.			trans	81.8	-167.6	-177.2	0	0	0	0	0	112.8
324	D	96.2	Very high	96.2	Very high	44 Å²	44	43.1 Å²	43.1	24%	0.235	23%	0.228	C	C	.	.			trans	-140.2	179.9	-179.8	64.7	30.5	0	0	0	112.3	S312 R326 C327 F348	S312-D324 WeakPolarHBondContact CB-OD1 3.29Å; S312-D324 PolarHBondContact OG-OD1 2.96Å; D324-R326 PolarHBondContact O-N 2.99Å; D324-R326 WeakPolarHBondContact OD1-CB 3.26Å; D324-R326 PolarHBondContact OD1-N 2.74Å; D324-R326 IonicContact OD1-NE 3.72Å; D324-R326 PolarHBondContact OD1-NE 3.16Å; D324-R326 IonicContact OD2-CZ 3.25Å; D324-R326 IonicContact OD2-NE 3.72Å; D324-R326 PolarHBondContact OD2-NE 3.42Å; D324-R326 IonicContact OD2-NH2 2.76Å; D324-R326 PolarHBondContact OD2-NH2 3.45Å; D324-C327 WeakPolarHBondContact O-CB 3.48Å; D324-C327 PolarHBondContact O-N 3.28Å; D324-C327 PolarHBondContact O-SG 3.08Å; D324-F348 VanDerWaalsContact C-CE2 3.48Å; D324-F348 WeakPolarHBondContact O-CD2 3.46Å; D324-F348 VanDerWaalsContact O-CG 3.31Å; D324-F348 WeakPolarHBondContact O-CG 3.47Å
325	S	96.5	Very high	96.3	Very high	82 Å²	82	44.7 Å²	44.7	57%	0.573	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-6	-177	58.9	0	0	0	0	115	C327	S325-C327 VanDerWaalsContact C-N 3.32Å
326	R	96.6	Very high	96.4	Very high	120 Å²	120	45 Å²	45	45%	0.453	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.8	173.7	-55.4	175.7	-70.3	169.2	-1.3	112.2	P262 F310 D324	P262-R326 HydrophobicContact CG-CB 3.89Å; P262-R326 HydrophobicContact CG-CG 4.5Å; F310-R326 WeakPolarHBondContact CD1-O 3.21Å; D324-R326 PolarHBondContact O-N 2.99Å; D324-R326 WeakPolarHBondContact OD1-CB 3.26Å; D324-R326 PolarHBondContact OD1-N 2.74Å; D324-R326 IonicContact OD1-NE 3.72Å; D324-R326 PolarHBondContact OD1-NE 3.16Å; D324-R326 IonicContact OD2-CZ 3.25Å; D324-R326 IonicContact OD2-NE 3.72Å; D324-R326 PolarHBondContact OD2-NE 3.42Å; D324-R326 IonicContact OD2-NH2 2.76Å; D324-R326 PolarHBondContact OD2-NH2 3.45Å
327	C	97.8	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.			trans	-60.8	147.4	169.6	-67.1	0	0	0	0	110.6	F310 S312 D324 S325 F348 Y393	F310-C327 VanDerWaalsContact O-CA 3.3Å; F310-C327 WeakPolarHBondContact O-CA 3.15Å; F310-C327 WeakPolarHBondContact O-CB 3.28Å; S312-C327 PolarHBondContact N-SG 3.01Å; S312-C327 PolarHBondContact OG-SG 3.14Å; D324-C327 WeakPolarHBondContact O-CB 3.48Å; D324-C327 PolarHBondContact O-N 3.28Å; D324-C327 PolarHBondContact O-SG 3.08Å; S325-C327 VanDerWaalsContact C-N 3.32Å; C327-F348 HydrophobicContact CB-CB 4.06Å; C327-Y393 HydrophobicContact CB-CE1 4.33Å; C327-Y393 WeakPolarHBondContact CB-OH 3.26Å; C327-Y393 VanDerWaalsContact O-CE1 3.26Å; C327-Y393 WeakPolarHBondContact O-CE1 3.32Å
328	F	98.5	Very high	96.8	Very high	7 Å²	7	44 Å²	44	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.6	175.6	61.4	-99	0	0	0	111.2	Q260 L261 M296 G309 F310 F330 V338 Y339 T340	Q260-F328 HydrophobicContact CB-CZ 4.14Å; L261-F328 HydrophobicContact CD2-CZ 4.32Å; M296-F328 HydrophobicContact SD-CZ 4.36Å; G309-F328 CarbonylContact C-O 3.57Å; G309-F328 VanDerWaalsContact CA-O 3.26Å; G309-F328 WeakPolarHBondContact CA-O 3.18Å; F310-F328 HydrophobicContact CB-CD1 3.68Å; F310-F328 HydrophobicContact CB-CD2 3.99Å; F310-F328 HydrophobicContact CB-CE1 3.36Å; F310-F328 HydrophobicContact CB-CE2 3.7Å; F310-F328 HydrophobicContact CB-CG 3.99Å; F310-F328 HydrophobicContact CB-CZ 3.37Å; F310-F328 AromaticContact CD1-CD1 3.71Å; F310-F328 HydrophobicContact CD1-CD1 3.71Å; F310-F328 AromaticContact CD1-CE1 3.51Å; F310-F328 HydrophobicContact CD1-CE1 3.51Å; F310-F328 HydrophobicContact CD1-CZ 4.35Å; F310-F328 HydrophobicContact CD2-CE1 4.45Å; F310-F328 HydrophobicContact CE1-CE1 4.43Å; F310-F328 HydrophobicContact CG-CD1 4.01Å; F310-F328 AromaticContact CG-CE1 3.52Å; F310-F328 HydrophobicContact CG-CE1 3.52Å; F310-F328 AromaticContact CG-CZ 3.89Å; F310-F328 HydrophobicContact CG-CZ 3.89Å; F310-F328 PolarHBondContact N-O 2.89Å; F310-F328 PolarHBondContact O-N 3.42Å; F328-F330 HydrophobicContact CD2-CD1 4.05Å; F328-F330 AromaticContact CE2-CD1 3.71Å; F328-F330 HydrophobicContact CE2-CD1 3.71Å; F328-F330 HydrophobicContact CE2-CE1 4.43Å; F328-V338 HydrophobicContact CB-CG1 4.2Å; F328-V338 HydrophobicContact CD2-CG1 3.64Å; F328-V338 HydrophobicContact CE2-CG1 4.13Å; F328-V338 HydrophobicContact CE2-CG2 4.36Å; F328-V338 HydrophobicContact CG-CG1 3.97Å; F328-Y339 WeakPolarHBondContact CA-O 3.49Å; F328-Y339 WeakPolarHBondContact CB-O 3.23Å; F328-T340 HydrophobicContact CB-CG2 4.35Å
329	L	98.8	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	156.5	168.5	-68.8	179	0	0	0	110.3	G308 Y339 M364 L373 Y393 N395 L398	G308-L329 WeakPolarHBondContact O-CA 3.49Å; G308-L329 WeakPolarHBondContact O-CD2 3.26Å; L329-Y339 PolarHBondContact N-O 2.75Å; L329-Y339 PolarHBondContact O-N 3.09Å; L329-M364 HydrophobicContact CD2-CB 3.81Å; L329-M364 HydrophobicContact CD2-CE 4.2Å; L329-M364 HydrophobicContact CD2-SD 4.04Å; L329-L373 HydrophobicContact CD1-CB 4.27Å; L329-L373 HydrophobicContact CD2-CB 3.96Å; L329-L373 HydrophobicContact CD2-CD2 3.91Å; L329-Y393 HydrophobicContact CB-CD2 4.47Å; L329-Y393 HydrophobicContact CD1-CD2 3.52Å; L329-Y393 HydrophobicContact CD1-CE2 4.15Å; L329-Y393 HydrophobicContact CD1-CG 4.28Å; L329-Y393 HydrophobicContact CG-CD2 3.6Å; L329-Y393 HydrophobicContact CG-CE2 3.95Å; L329-Y393 HydrophobicContact CG-CG 4.17Å; L329-N395 WeakPolarHBondContact CD1-OD1 3.14Å; L329-L398 HydrophobicContact CB-CD1 4.15Å; L329-L398 HydrophobicContact CD1-CD1 4.05Å; L329-L398 HydrophobicContact CG-CD1 4.48Å
330	F	98.7	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.7	175.9	61.2	-93.5	0	0	0	112	L257 M296 L298 F307 G308 G309 F328 V332 R337 V338	L257-F330 HydrophobicContact CD1-CD2 4.18Å; L257-F330 HydrophobicContact CD1-CE2 3.99Å; L257-F330 HydrophobicContact CD2-CB 4.12Å; L257-F330 HydrophobicContact CD2-CD1 4.43Å; L257-F330 HydrophobicContact CD2-CD2 3.9Å; L257-F330 HydrophobicContact CD2-CE2 4.44Å; L257-F330 HydrophobicContact CD2-CG 3.9Å; M296-F330 HydrophobicContact CE-CD1 4.15Å; M296-F330 HydrophobicContact CE-CE1 3.37Å; M296-F330 HydrophobicContact CE-CE2 4.47Å; M296-F330 HydrophobicContact CE-CZ 3.58Å; M296-F330 HydrophobicContact SD-CE1 4.03Å; L298-F330 HydrophobicContact CD2-CE2 4.3Å; L298-F330 HydrophobicContact CD2-CZ 4.5Å; L298-F330 HydrophobicContact CG-CE2 4.25Å; L298-F330 HydrophobicContact CG-CZ 4.03Å; F307-F330 WeakPolarHBondContact CA-O 3.36Å; F307-F330 WeakPolarHBondContact CB-O 3.37Å; G308-F330 PolarHBondContact N-O 3.15Å; G308-F330 PolarHBondContact O-N 3.12Å; G309-F330 VanDerWaalsContact N-CE1 3.31Å; F328-F330 HydrophobicContact CD2-CD1 4.05Å; F328-F330 AromaticContact CE2-CD1 3.71Å; F328-F330 HydrophobicContact CE2-CD1 3.71Å; F328-F330 HydrophobicContact CE2-CE1 4.43Å; F330-V332 HydrophobicContact CD2-CG2 3.77Å; F330-V332 HydrophobicContact CE2-CG2 3.81Å; F330-R337 CarbonylContact C-O 3.58Å; F330-R337 WeakPolarHBondContact CA-O 3.47Å; F330-R337 VanDerWaalsContact CB-O 3.26Å; F330-R337 WeakPolarHBondContact CB-O 3.44Å; F330-V338 HydrophobicContact CB-CG2 4.19Å
331	S	98.4	Very high	97.6	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.8	168	172.8	0	0	0	0	108.3	T335 L336 R337	S331-T335 CarbonylContact C-O 3.52Å; S331-T335 VanDerWaalsContact CB-O 3.23Å; S331-T335 WeakPolarHBondContact CB-O 3.26Å; S331-T335 PolarHBondContact OG-O 3.42Å; S331-L336 WeakPolarHBondContact O-CA 3.15Å; S331-R337 PolarHBondContact N-O 3.02Å; S331-R337 PolarHBondContact O-N 3.31Å
332	V	98.5	Very high	97.6	Very high	5 Å²	5	42 Å²	42	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-47.3	176.8	-179.1	0	0	0	0	110.3	L177 L249 T253 L257 V306 F330 T335 L336	L177-V332 WeakPolarHBondContact CD1-O 3.35Å; L249-V332 HydrophobicContact CD2-CG1 4.15Å; L249-V332 HydrophobicContact CD2-CG2 4.02Å; T253-V332 HydrophobicContact CG2-CG1 3.63Å; L257-V332 HydrophobicContact CD1-CG2 4.05Å; V306-V332 HydrophobicContact CB-CB 4.02Å; V306-V332 HydrophobicContact CG1-CB 3.87Å; V306-V332 HydrophobicContact CG1-CG1 4.31Å; V306-V332 HydrophobicContact CG1-CG2 4.19Å; V306-V332 WeakPolarHBondContact O-CA 3.44Å; V306-V332 WeakPolarHBondContact O-CB 3.23Å; V306-V332 PolarHBondContact O-N 3.24Å; F330-V332 HydrophobicContact CD2-CG2 3.77Å; F330-V332 HydrophobicContact CE2-CG2 3.81Å; V332-T335 CarbonylContact C-O 3.55Å; V332-T335 PolarHBondContact N-O 2.96Å; V332-L336 HydrophobicContact CB-CD1 4.46Å; V332-L336 HydrophobicContact CG1-CD1 4.35Å
333	F	98.4	Very high	97.7	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.6	177.1	179.3	-91.6	0	0	0	109.6	M173 L177 G304 H305 V306	M173-F333 HydrophobicContact CE-CE2 4.32Å; M173-F333 HydrophobicContact CG-CD2 4.19Å; M173-F333 HydrophobicContact CG-CE2 4.25Å; M173-F333 HydrophobicContact SD-CE2 4.16Å; L177-F333 HydrophobicContact CD1-CD2 4.24Å; L177-F333 HydrophobicContact CD2-CD2 4.5Å; G304-F333 VanDerWaalsContact O-CD1 3.26Å; G304-F333 WeakPolarHBondContact O-CD1 3.24Å; H305-F333 WeakPolarHBondContact CA-O 3.26Å; V306-F333 HydrophobicContact CB-CB 4.29Å; V306-F333 HydrophobicContact CG2-CB 4.49Å; V306-F333 PolarHBondContact N-O 3.44Å; V306-F333 PolarHBondContact O-N 2.88Å
334	P	97.4	Very high	97.7	Very high	53 Å²	53	51.7 Å²	51.7	34%	0.344	28%	0.28	S	S	.	.	S	Bend	cis	-87	-3.9	13.3	34.1	-38.5	0	0	0	115.5	L177 H305	L177-P334 WeakPolarHBondContact CD2-O 3.49Å; H305-P334 WeakPolarHBondContact CD2-CD 3.41Å; H305-P334 WeakPolarHBondContact NE2-CD 3.47Å
335	T	96.6	Very high	97.8	Very high	70 Å²	70	50.9 Å²	50.9	43%	0.429	28%	0.276	S	S	.	.	S	Bend	trans	-132.1	140.9	177.7	61.1	0	0	0	0	110.1	S331 V332	S331-T335 CarbonylContact C-O 3.52Å; S331-T335 VanDerWaalsContact CB-O 3.23Å; S331-T335 WeakPolarHBondContact CB-O 3.26Å; S331-T335 PolarHBondContact OG-O 3.42Å; V332-T335 CarbonylContact C-O 3.55Å; V332-T335 PolarHBondContact N-O 2.96Å
336	L	97.9	Very high	97.8	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.052	28%	0.283	C	S	.	.			trans	-95.5	112	-179.4	-171.4	63.3	0	0	0	110	L177 L178 Q181 T253 F256 S331 V332	L177-L336 HydrophobicContact CB-CB 4.21Å; L177-L336 HydrophobicContact CB-CD2 4.47Å; L178-L336 HydrophobicContact CB-CD2 4.26Å; L178-L336 HydrophobicContact CD1-CD2 4.21Å; Q181-L336 HydrophobicContact CB-CB 4.34Å; Q181-L336 WeakPolarHBondContact CG-O 3.44Å; T253-L336 HydrophobicContact CG2-CD1 4.25Å; F256-L336 HydrophobicContact CB-CD2 3.73Å; F256-L336 HydrophobicContact CB-CG 4.39Å; F256-L336 HydrophobicContact CD1-CD1 3.45Å; F256-L336 VanDerWaalsContact CD1-CD1 3.45Å; F256-L336 HydrophobicContact CD1-CD2 3.73Å; F256-L336 HydrophobicContact CD1-CG 3.41Å; F256-L336 VanDerWaalsContact CD1-CG 3.41Å; F256-L336 HydrophobicContact CD2-CD2 4.12Å; F256-L336 HydrophobicContact CD2-CG 4.34Å; F256-L336 HydrophobicContact CE1-CD1 3.84Å; F256-L336 HydrophobicContact CE1-CD2 4.37Å; F256-L336 HydrophobicContact CE1-CG 3.64Å; F256-L336 HydrophobicContact CG-CD1 4.19Å; F256-L336 HydrophobicContact CG-CD2 3.57Å; F256-L336 HydrophobicContact CG-CG 3.79Å; F256-L336 HydrophobicContact CZ-CG 4.23Å; S331-L336 WeakPolarHBondContact O-CA 3.15Å; V332-L336 HydrophobicContact CB-CD1 4.46Å; V332-L336 HydrophobicContact CG1-CD1 4.35Å
337	R	97.9	Very high	97.9	Very high	126 Å²	126	51.6 Å²	51.6	48%	0.475	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	148.6	-175.2	-172.2	167.9	-74.3	165.4	-1.6	113	F330 S331 Y339	F330-R337 CarbonylContact C-O 3.58Å; F330-R337 WeakPolarHBondContact CA-O 3.47Å; F330-R337 VanDerWaalsContact CB-O 3.26Å; F330-R337 WeakPolarHBondContact CB-O 3.44Å; S331-R337 PolarHBondContact N-O 3.02Å; S331-R337 PolarHBondContact O-N 3.31Å; R337-Y339 HydrophobicContact CB-CE2 4.15Å; R337-Y339 VanDerWaalsContact CD-CE1 3.46Å; R337-Y339 VanDerWaalsContact CD-CZ 3.49Å; R337-Y339 WeakPolarHBondContact CD-OH 3.49Å; R337-Y339 HydrophobicContact CG-CD1 4.44Å; R337-Y339 HydrophobicContact CG-CE1 3.91Å; R337-Y339 HydrophobicContact CG-CE2 4.09Å
338	V	98.2	Very high	97.9	Very high	32 Å²	32	52.2 Å²	52.2	19%	0.194	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.3	170.9	173.9	0	0	0	0	110.6	F256 L257 Q260 F328 F330 T340	F256-V338 HydrophobicContact CE1-CG2 3.85Å; F256-V338 HydrophobicContact CZ-CG2 4.04Å; L257-V338 HydrophobicContact CD2-CG2 4.37Å; Q260-V338 HydrophobicContact CB-CG2 4.29Å; Q260-V338 HydrophobicContact CG-CG2 3.86Å; F328-V338 HydrophobicContact CB-CG1 4.2Å; F328-V338 HydrophobicContact CD2-CG1 3.64Å; F328-V338 HydrophobicContact CE2-CG1 4.13Å; F328-V338 HydrophobicContact CE2-CG2 4.36Å; F328-V338 HydrophobicContact CG-CG1 3.97Å; F330-V338 HydrophobicContact CB-CG2 4.19Å; V338-T340 HydrophobicContact CG1-CG2 4.09Å
339	Y	98.3	Very high	97.8	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	99.5	-179.3	-54.7	-83.2	0	0	0	109.5	F328 L329 R337 Y393 N395 P396 L398	F328-Y339 WeakPolarHBondContact CA-O 3.49Å; F328-Y339 WeakPolarHBondContact CB-O 3.23Å; L329-Y339 PolarHBondContact N-O 2.75Å; L329-Y339 PolarHBondContact O-N 3.09Å; R337-Y339 HydrophobicContact CB-CE2 4.15Å; R337-Y339 VanDerWaalsContact CD-CE1 3.46Å; R337-Y339 VanDerWaalsContact CD-CZ 3.49Å; R337-Y339 WeakPolarHBondContact CD-OH 3.49Å; R337-Y339 HydrophobicContact CG-CD1 4.44Å; R337-Y339 HydrophobicContact CG-CE1 3.91Å; R337-Y339 HydrophobicContact CG-CE2 4.09Å; Y339-Y393 WeakPolarHBondContact CB-O 3.36Å; Y339-N395 HydrophobicContact CD1-CB 3.73Å; Y339-N395 HydrophobicContact CD2-CB 3.65Å; Y339-N395 HydrophobicContact CE1-CB 4.15Å; Y339-N395 HydrophobicContact CE2-CB 4.09Å; Y339-N395 HydrophobicContact CG-CB 3.44Å; Y339-N395 VanDerWaalsContact CG-CB 3.44Å; Y339-P396 HydrophobicContact CE1-CG 4.33Å; Y339-P396 WeakPolarHBondContact OH-CD 3.33Å; Y339-P396 WeakPolarHBondContact OH-CG 3.34Å; Y339-L398 HydrophobicContact CD2-CD2 4.12Å; Y339-L398 HydrophobicContact CE2-CD2 3.68Å
340	T	98.1	Very high	97.8	Very high	95 Å²	95	51.9 Å²	51.9	58%	0.583	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	165.2	-178.6	55.4	0	0	0	0	112.1	F328 V338 T342 Y393	F328-T340 HydrophobicContact CB-CG2 4.35Å; V338-T340 HydrophobicContact CG1-CG2 4.09Å; T340-T342 PolarHBondContact O-N 2.61Å; T340-Y393 WeakPolarHBondContact O-CA 3.31Å
341	A	97.7	Very high	97.7	Very high	25 Å²	25	51.9 Å²	51.9	21%	0.207	28%	0.276	C	S	.	.			trans	-56	133.5	179.2	0	0	0	0	0	112.5	F348 T392 Y393	A341-F348 HydrophobicContact CB-CD1 4.4Å; A341-F348 HydrophobicContact CB-CE1 3.73Å; A341-T392 CarbonylContact C-O 3.19Å; A341-T392 WeakPolarHBondContact CA-O 3.18Å; A341-Y393 HydrophobicContact CB-CD1 4.47Å; A341-Y393 HydrophobicContact CB-CE1 4.38Å
342	T	97.8	Very high	97.6	Very high	73 Å²	73	51.8 Å²	51.8	45%	0.448	28%	0.276	S	S	.	.			trans	-80.8	-17.2	179.8	63.5	0	0	0	0	113.3	T340 Y344 T391 T392	T340-T342 PolarHBondContact O-N 2.61Å; T342-Y344 VanDerWaalsContact C-N 3.29Å; T342-Y344 WeakPolarHBondContact OG1-CB 3.5Å; T342-Y344 PolarHBondContact OG1-N 2.67Å; T342-Y344 VanDerWaalsContact OG1-N 3.16Å; T342-T391 PolarHBondContact OG1-O 2.84Å; T342-T392 PolarHBondContact N-O 2.7Å; T342-T392 PolarHBondContact OG1-O 3.33Å
343	G	97.2	Very high	97.3	Very high	69 Å²	69	52.6 Å²	52.6	71%	0.711	28%	0.279	S	S	*	.	S	Bend	trans	78.5	6.2	-170.6	0	0	0	0	0	114.6
344	Y	97	Very high	96.8	Very high	179 Å²	179	57.1 Å²	57.1	70%	0.702	30%	0.301	S	S	*	.	S	Bend	trans	-73.6	-36.2	-179.5	-176.2	-95.3	0	0	0	113.4	T342 T391	T342-Y344 VanDerWaalsContact C-N 3.29Å; T342-Y344 WeakPolarHBondContact OG1-CB 3.5Å; T342-Y344 PolarHBondContact OG1-N 2.67Å; T342-Y344 VanDerWaalsContact OG1-N 3.16Å; Y344-T391 HydrophobicContact CD1-CG2 4.35Å; Y344-T391 HydrophobicContact CE1-CG2 4.27Å
345	N	96.9	Very high	96.4	Very high	28 Å²	28	58.7 Å²	58.7	15%	0.15	30%	0.304	C	S	.	.			trans	-153	175.3	176.8	63.9	47.4	0	0	0	110.3	H347 T391 T392	N345-H347 WeakPolarHBondContact OD1-CB 3.26Å; N345-H347 PolarHBondContact OD1-N 3.24Å; N345-H347 VanDerWaalsContact OD1-N 3.14Å; N345-T391 PolarHBondContact ND2-OG1 2.88Å; N345-T392 PolarHBondContact ND2-OG1 3.11Å; N345-T392 WeakPolarHBondContact OD1-CB 3.38Å; N345-T392 WeakPolarHBondContact OD1-CG2 3.18Å; N345-T392 PolarHBondContact OD1-OG1 2.85Å
346	E	97.5	Very high	95.9	Very high	155 Å²	155	64.8 Å²	64.8	72%	0.724	33%	0.327	S	S	*	.			trans	-109	29.5	-178.2	-60	-178.9	155.8	0	0	112.2	F348	E346-F348 HydrophobicContact CB-CD2 4.34Å; E346-F348 HydrophobicContact CB-CE2 3.73Å; E346-F348 HydrophobicContact CB-CZ 4.23Å; E346-F348 HydrophobicContact CG-CE2 4.07Å; E346-F348 HydrophobicContact CG-CZ 4.29Å; E346-F348 PolarHBondContact O-N 2.9Å
347	H	97.6	Very high	95.4	Very high	61 Å²	61	70.2 Å²	70.2	28%	0.282	36%	0.361	S	S	.	.			trans	-85.3	52.3	-177.5	-60.7	171.5	0	0	0	112.1	F321 N345 G365 G366	F321-H347 VanDerWaalsContact CD1-CA 3.49Å; F321-H347 HydrophobicContact CD1-CB 3.6Å; F321-H347 HydrophobicContact CD2-CB 4.2Å; F321-H347 AromaticContact CD2-CD2 3.64Å; F321-H347 AromaticContact CD2-CG 3.87Å; F321-H347 HydrophobicContact CE1-CB 3.61Å; F321-H347 HydrophobicContact CE2-CB 4.25Å; F321-H347 AromaticContact CE2-CG 3.88Å; F321-H347 HydrophobicContact CG-CB 3.89Å; F321-H347 AromaticContact CG-CD2 3.94Å; F321-H347 HydrophobicContact CZ-CB 3.98Å; N345-H347 WeakPolarHBondContact OD1-CB 3.26Å; N345-H347 PolarHBondContact OD1-N 3.24Å; N345-H347 VanDerWaalsContact OD1-N 3.14Å; H347-G365 WeakPolarHBondContact O-CA 3.32Å; H347-G365 PolarHBondContact O-N 2.88Å; H347-G365 VanDerWaalsContact O-N 3.17Å; H347-G366 VanDerWaalsContact CB-O 3.29Å; H347-G366 WeakPolarHBondContact CB-O 3.34Å; H347-G366 PolarHBondContact ND1-O 3.27Å
348	F	98.3	Very high	95.1	Very high	13 Å²	13	66.8 Å²	66.8	6%	0.057	35%	0.351	C	S	.	.			trans	-70.9	-55.8	-166.4	-56.3	-62.2	0	0	0	113.1	Q322 D324 C327 A341 E346 M364 G365 T392 Y393	Q322-F348 WeakPolarHBondContact O-CB 3.33Å; D324-F348 VanDerWaalsContact C-CE2 3.48Å; D324-F348 WeakPolarHBondContact O-CD2 3.46Å; D324-F348 VanDerWaalsContact O-CG 3.31Å; D324-F348 WeakPolarHBondContact O-CG 3.47Å; C327-F348 HydrophobicContact CB-CB 4.06Å; A341-F348 HydrophobicContact CB-CD1 4.4Å; A341-F348 HydrophobicContact CB-CE1 3.73Å; E346-F348 HydrophobicContact CB-CD2 4.34Å; E346-F348 HydrophobicContact CB-CE2 3.73Å; E346-F348 HydrophobicContact CB-CZ 4.23Å; E346-F348 HydrophobicContact CG-CE2 4.07Å; E346-F348 HydrophobicContact CG-CZ 4.29Å; E346-F348 PolarHBondContact O-N 2.9Å; F348-M364 VanDerWaalsContact O-CA 3.28Å; F348-M364 WeakPolarHBondContact O-CA 3.23Å; F348-G365 PolarHBondContact O-N 2.83Å; F348-G365 VanDerWaalsContact O-N 3.15Å; F348-T392 HydrophobicContact CD1-CG2 3.82Å; F348-T392 HydrophobicContact CE1-CG2 4.13Å; F348-Y393 WeakPolarHBondContact CA-OH 3.45Å; F348-Y393 WeakPolarHBondContact CB-OH 3.49Å; F348-Y393 HydrophobicContact CD1-CE1 4.16Å; F348-Y393 PolarHBondContact O-OH 3.07Å
349	M	97.3	Very high	94.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.4	-179.7	46	180	-66.2	0	0	110.9	A311 W315 F321 Q322 G363 M364	A311-M349 HydrophobicContact CB-CE 4.13Å; A311-M349 HydrophobicContact CB-SD 3.9Å; W315-M349 HydrophobicContact CB-CE 4.16Å; W315-M349 HydrophobicContact CD2-CE 3.33Å; W315-M349 HydrophobicContact CE3-CB 4.29Å; W315-M349 HydrophobicContact CE3-CE 3.47Å; W315-M349 VanDerWaalsContact CE3-CE 3.47Å; W315-M349 HydrophobicContact CG-CE 3.62Å; W315-M349 HydrophobicContact CH2-CB 3.9Å; W315-M349 HydrophobicContact CH2-CE 4.44Å; W315-M349 HydrophobicContact CZ2-CE 4.33Å; W315-M349 HydrophobicContact CZ3-CB 3.7Å; W315-M349 HydrophobicContact CZ3-CE 4.04Å; F321-M349 CarbonylContact C-O 3.44Å; F321-M349 WeakPolarHBondContact CA-O 3.3Å; Q322-M349 VanDerWaalsContact C-CG 3.41Å; Q322-M349 HydrophobicContact CB-CG 4.5Å; Q322-M349 HydrophobicContact CG-CB 4.4Å; Q322-M349 HydrophobicContact CG-CE 3.77Å; Q322-M349 HydrophobicContact CG-CG 3.56Å; Q322-M349 HydrophobicContact CG-SD 4.1Å; Q322-M349 PolarHBondContact N-O 2.65Å; Q322-M349 WeakPolarHBondContact O-CG 3.33Å; Q322-M349 PolarHBondContact O-N 2.89Å; Q322-M349 VanDerWaalsContact O-N 3.07Å; M349-G363 CarbonylContact C-O 3.54Å; M349-G363 WeakPolarHBondContact CA-O 3.37Å; M349-M364 HydrophobicContact CB-CG 4.42Å
350	Y	97.8	Very high	94.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.7	-175.8	177.6	-89.3	0	0	0	108.7	W315 P319 F321 N352 P359 L362 G363 H368 F371 W374	W315-Y350 WeakPolarHBondContact CZ3-O 3.25Å; P319-Y350 WeakPolarHBondContact O-CE2 3.45Å; F321-Y350 HydrophobicContact CD1-CD2 4.5Å; F321-Y350 HydrophobicContact CE1-CD2 4.47Å; Y350-N352 HydrophobicContact CD1-CB 4.45Å; Y350-N352 HydrophobicContact CE1-CB 3.57Å; Y350-N352 HydrophobicContact CE2-CB 4.34Å; Y350-N352 WeakPolarHBondContact OH-CB 3.39Å; Y350-N352 PolarHBondContact OH-ND2 2.97Å; Y350-N352 VanDerWaalsContact OH-ND2 3.15Å; Y350-P359 HydrophobicContact CE1-CB 4.49Å; Y350-P359 WeakPolarHBondContact CE1-O 3.44Å; Y350-P359 PolarHBondContact OH-O 2.77Å; Y350-L362 CarbonylContact O-C 3.43Å; Y350-L362 WeakPolarHBondContact O-CA 3.44Å; Y350-G363 PolarHBondContact N-O 2.79Å; Y350-G363 PolarHBondContact O-N 3.29Å; Y350-H368 AromaticContact CE2-NE2 3.41Å; Y350-H368 WeakPolarHBondContact CE2-NE2 3.16Å; Y350-H368 AromaticContact CZ-NE2 3.94Å; Y350-F371 HydrophobicContact CD1-CZ 4.14Å; Y350-F371 HydrophobicContact CG-CE1 4.23Å; Y350-F371 HydrophobicContact CG-CZ 4.16Å; Y350-W374 HydrophobicContact CD1-CH2 4.3Å; Y350-W374 AromaticContact CD1-CZ3 3.69Å; Y350-W374 HydrophobicContact CD1-CZ3 3.69Å; Y350-W374 AromaticContact CE1-CH2 3.98Å; Y350-W374 HydrophobicContact CE1-CH2 3.98Å; Y350-W374 AromaticContact CE1-CZ3 3.81Å; Y350-W374 HydrophobicContact CE1-CZ3 3.81Å
351	L	97.3	Very high	94.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	120.4	171.6	174.1	67.3	0	0	0	109.3	F282 A286 W315 K318 G361 L362	F282-L351 HydrophobicContact CE1-CD1 4Å; F282-L351 HydrophobicContact CZ-CD1 3.68Å; A286-L351 HydrophobicContact CB-CD1 4.34Å; W315-L351 HydrophobicContact CB-CD2 3.6Å; W315-L351 HydrophobicContact CE3-CB 3.71Å; W315-L351 HydrophobicContact CE3-CD2 4.48Å; W315-L351 HydrophobicContact CG-CD2 4.42Å; W315-L351 HydrophobicContact CZ3-CB 4.38Å; K318-L351 PolarHBondContact N-O 2.9Å; K318-L351 VanDerWaalsContact N-O 3.12Å; K318-L351 VanDerWaalsContact O-O 3.13Å; L351-G361 WeakPolarHBondContact CA-O 3.26Å; L351-L362 HydrophobicContact CD1-CB 4.19Å
352	N	95.3	Very high	94.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.8	-176.3	-172.5	40.3	0	0	0	110.9	Y350 Q355 M358 P359 N360 G361	Y350-N352 HydrophobicContact CD1-CB 4.45Å; Y350-N352 HydrophobicContact CE1-CB 3.57Å; Y350-N352 HydrophobicContact CE2-CB 4.34Å; Y350-N352 WeakPolarHBondContact OH-CB 3.39Å; Y350-N352 PolarHBondContact OH-ND2 2.97Å; Y350-N352 VanDerWaalsContact OH-ND2 3.15Å; N352-Q355 WeakPolarHBondContact ND2-CG 3.34Å; N352-Q355 WeakPolarHBondContact OD1-CG 3.4Å; N352-M358 WeakPolarHBondContact ND2-CB 3.19Å; N352-P359 PolarHBondContact ND2-O 3.05Å; N352-N360 CarbonylContact O-C 3.59Å; N352-N360 WeakPolarHBondContact O-CA 3.26Å; N352-G361 PolarHBondContact N-O 2.62Å; N352-G361 PolarHBondContact O-N 2.9Å
353	Q	92.1	Very high	94.8	Very high	22 Å²	22	58.4 Å²	58.4	10%	0.103	30%	0.299	C	S	.	.			trans	-147	157.1	178.2	-69.7	-168.6	-94.6	0	0	110.5	F282 H317 Q355 N360	F282-Q353 HydrophobicContact CD1-CG 4.19Å; F282-Q353 HydrophobicContact CE1-CG 3.65Å; H317-Q353 PolarHBondContact CE1-OE1 3.44Å; H317-Q353 PolarHBondContact NE2-OE1 2.89Å; Q353-Q355 PolarHBondContact O-N 2.96Å; Q353-Q355 VanDerWaalsContact O-N 3.17Å; Q353-N360 VanDerWaalsContact CA-OD1 3.29Å; Q353-N360 WeakPolarHBondContact CA-OD1 3.49Å
354	H	88.6	Confident	94.8	Very high	162 Å²	162	55.1 Å²	55.1	75%	0.75	27%	0.265	S	S	*	.	S	Bend	trans	57.8	26.2	173.3	-51.5	-62.1	0	0	0	115.2	N360	H354-N360 PolarHBondContact N-OD1 3Å
355	Q	88.1	Confident	94.9	Very high	85 Å²	85	46.6 Å²	46.6	40%	0.397	23%	0.232	S	C	.	.			trans	-98.6	147.5	174	-61	-56.5	-47.5	0	0	111.5	N352 Q353 M358 N360	N352-Q355 WeakPolarHBondContact ND2-CG 3.34Å; N352-Q355 WeakPolarHBondContact OD1-CG 3.4Å; Q353-Q355 PolarHBondContact O-N 2.96Å; Q353-Q355 VanDerWaalsContact O-N 3.17Å; Q355-M358 HydrophobicContact CB-CB 4.09Å; Q355-N360 PolarHBondContact N-OD1 3.44Å; Q355-N360 PolarHBondContact O-ND2 3.48Å
356	Q	86.6	Confident	94.8	Very high	198 Å²	198	45.4 Å²	45.4	93%	0.925	23%	0.226	S	C	*	.	S	Bend	trans	-87.2	-34.3	178.7	-66	-177.8	8.6	0	0	113
357	T	87.9	Confident	94.7	Very high	124 Å²	124	43.2 Å²	43.2	76%	0.761	22%	0.216	S	C	*	.	S	Bend	trans	-107.6	-17.6	-169.9	52.5	0	0	0	0	113.5
358	M	92.4	Very high	94.5	Very high	54 Å²	54	43.1 Å²	43.1	27%	0.266	22%	0.215	S	C	.	.	S	Bend	trans	-110.6	146.4	-177.6	-62.7	-59	-64.2	0	0	109.8	P319 N352 Q355 N360 H368	P319-M358 HydrophobicContact CB-CB 4.46Å; P319-M358 HydrophobicContact CB-CG 3.98Å; N352-M358 WeakPolarHBondContact ND2-CB 3.19Å; Q355-M358 HydrophobicContact CB-CB 4.09Å; M358-N360 PolarHBondContact O-N 2.79Å; M358-H368 VanDerWaalsContact CE-CE1 3.44Å; M358-H368 WeakPolarHBondContact CE-CE1 3.28Å; M358-H368 VanDerWaalsContact CE-NE2 3.28Å; M358-H368 WeakPolarHBondContact CE-NE2 3.44Å
359	P	94	Very high	94.2	Very high	33 Å²	33	47 Å²	47	21%	0.214	24%	0.237	C	C	.	.			trans	-54.8	138.1	177.3	-27.2	36.6	0	0	0	112	Y350 N352 H368 W374	Y350-P359 HydrophobicContact CE1-CB 4.49Å; Y350-P359 WeakPolarHBondContact CE1-O 3.44Å; Y350-P359 PolarHBondContact OH-O 2.77Å; N352-P359 PolarHBondContact ND2-O 3.05Å; P359-H368 HydrophobicContact CG-CB 4.32Å; P359-W374 HydrophobicContact CB-CH2 3.56Å; P359-W374 HydrophobicContact CB-CZ2 4Å; P359-W374 HydrophobicContact CB-CZ3 4.35Å
360	N	96.3	Very high	94.1	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.219	26%	0.263	C	S	.	.			trans	-103.7	120	175.1	-63.5	-60.3	0	0	0	108.3	N352 Q353 H354 Q355 M358 W374 S377	N352-N360 CarbonylContact O-C 3.59Å; N352-N360 WeakPolarHBondContact O-CA 3.26Å; Q353-N360 VanDerWaalsContact CA-OD1 3.29Å; Q353-N360 WeakPolarHBondContact CA-OD1 3.49Å; H354-N360 PolarHBondContact N-OD1 3Å; Q355-N360 PolarHBondContact N-OD1 3.44Å; Q355-N360 PolarHBondContact O-ND2 3.48Å; M358-N360 PolarHBondContact O-N 2.79Å; N360-W374 WeakPolarHBondContact O-CZ2 3.47Å; N360-S377 VanDerWaalsContact CB-OG 3.27Å; N360-S377 WeakPolarHBondContact CB-OG 3.49Å; N360-S377 VanDerWaalsContact O-CB 3.32Å; N360-S377 WeakPolarHBondContact O-CB 3.32Å; N360-S377 PolarHBondContact O-N 3.46Å; N360-S377 VanDerWaalsContact O-N 3.11Å; N360-S377 PolarHBondContact O-OG 3.06Å
361	G	96.8	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-167.7	-173.5	0	0	0	0	0	112.2	F282 L351 N352 W374 L375	F282-G361 VanDerWaalsContact CZ-C 3.5Å; L351-G361 WeakPolarHBondContact CA-O 3.26Å; N352-G361 PolarHBondContact N-O 2.62Å; N352-G361 PolarHBondContact O-N 2.9Å; G361-W374 VanDerWaalsContact CA-CH2 3.49Å; G361-L375 CarbonylContact C-O 3.5Å; G361-L375 VanDerWaalsContact CA-O 3.25Å; G361-L375 WeakPolarHBondContact CA-O 3.47Å
362	L	97.5	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.4	178.7	-179.6	153.4	0	0	0	109.1	F282 M285 L289 L297 W315 Y350 L351 W374 L375	F282-L362 HydrophobicContact CE2-CB 4.06Å; F282-L362 HydrophobicContact CZ-CB 4.1Å; M285-L362 HydrophobicContact CE-CD1 4.49Å; L289-L362 HydrophobicContact CD1-CD1 3.47Å; L289-L362 VanDerWaalsContact CD1-CD1 3.47Å; L297-L362 HydrophobicContact CD2-CD1 4.35Å; L297-L362 HydrophobicContact CD2-CD2 3.67Å; W315-L362 HydrophobicContact CD2-CD1 4.31Å; W315-L362 HydrophobicContact CE3-CD1 4.03Å; W315-L362 HydrophobicContact CE3-CG 4.22Å; W315-L362 HydrophobicContact CH2-CD1 3.64Å; W315-L362 HydrophobicContact CH2-CD2 3.66Å; W315-L362 HydrophobicContact CH2-CG 3.61Å; W315-L362 HydrophobicContact CZ2-CD1 3.95Å; W315-L362 HydrophobicContact CZ2-CD2 4.45Å; W315-L362 HydrophobicContact CZ2-CG 4.4Å; W315-L362 HydrophobicContact CZ3-CD1 3.69Å; W315-L362 HydrophobicContact CZ3-CD2 4.05Å; W315-L362 HydrophobicContact CZ3-CG 3.51Å; Y350-L362 CarbonylContact O-C 3.43Å; Y350-L362 WeakPolarHBondContact O-CA 3.44Å; L351-L362 HydrophobicContact CD1-CB 4.19Å; L362-W374 CarbonylContact O-C 3.55Å; L362-W374 WeakPolarHBondContact O-CA 3.42Å; L362-W374 VanDerWaalsContact O-CE3 3.24Å; L362-L375 HydrophobicContact CB-CB 4.47Å; L362-L375 PolarHBondContact N-O 3.28Å; L362-L375 PolarHBondContact O-N 2.64Å
363	G	97.8	Very high	94.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.7	179.2	0	0	0	0	0	112.4	M349 Y350 L373	M349-G363 CarbonylContact C-O 3.54Å; M349-G363 WeakPolarHBondContact CA-O 3.37Å; Y350-G363 PolarHBondContact N-O 2.79Å; Y350-G363 PolarHBondContact O-N 3.29Å; G363-L373 CarbonylContact C-O 3.48Å; G363-L373 VanDerWaalsContact CA-O 3.32Å; G363-L373 WeakPolarHBondContact CA-O 3.45Å
364	M	98.5	Very high	94.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.3	171	-68	-174.8	75	0	0	110.7	F310 W315 L329 F348 M349 G372 L373 Y393	F310-M364 VanDerWaalsContact O-CE 3.26Å; F310-M364 WeakPolarHBondContact O-CE 3.35Å; W315-M364 HydrophobicContact CH2-CG 3.76Å; W315-M364 HydrophobicContact CH2-SD 3.98Å; W315-M364 HydrophobicContact CZ2-SD 4.27Å; L329-M364 HydrophobicContact CD2-CB 3.81Å; L329-M364 HydrophobicContact CD2-CE 4.2Å; L329-M364 HydrophobicContact CD2-SD 4.04Å; F348-M364 VanDerWaalsContact O-CA 3.28Å; F348-M364 WeakPolarHBondContact O-CA 3.23Å; M349-M364 HydrophobicContact CB-CG 4.42Å; M364-G372 PolarHBondContact O-N 3.1Å; M364-L373 HydrophobicContact CB-CB 4.41Å; M364-L373 PolarHBondContact N-O 3.02Å; M364-L373 PolarHBondContact O-N 2.83Å; M364-L373 VanDerWaalsContact O-N 3.1Å; M364-Y393 HydrophobicContact CB-CE2 4.34Å
365	G	97.6	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	146.3	176.6	0	0	0	0	0	114.2	H347 F348 F371 G372 C390	H347-G365 WeakPolarHBondContact O-CA 3.32Å; H347-G365 PolarHBondContact O-N 2.88Å; H347-G365 VanDerWaalsContact O-N 3.17Å; F348-G365 PolarHBondContact O-N 2.83Å; F348-G365 VanDerWaalsContact O-N 3.15Å; G365-F371 CarbonylContact O-C 3.37Å; G365-F371 WeakPolarHBondContact O-CA 3.04Å; G365-G372 PolarHBondContact O-N 3.17Å; G365-C390 VanDerWaalsContact C-SG 3.53Å
366	G	95.5	Very high	95.4	Very high	2 Å²	2	44 Å²	44	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.7	-133.6	176.7	0	0	0	0	0	111.9	H347 C390 T392	H347-G366 VanDerWaalsContact CB-O 3.29Å; H347-G366 WeakPolarHBondContact CB-O 3.34Å; H347-G366 PolarHBondContact ND1-O 3.27Å; G366-C390 PolarHBondContact N-SG 2.84Å; G366-C390 VanDerWaalsContact N-SG 3.36Å; G366-T392 PolarHBondContact N-OG1 2.94Å
367	Q	94.7	Very high	95.8	Very high	110 Å²	110	36 Å²	36	51%	0.514	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	171.5	177.1	61.8	-177.1	13.9	0	0	109.2	D369 Y370 F371	Q367-D369 PolarHBondContact O-N 2.89Å; Q367-Y370 HydrophobicContact CG-CD2 4.39Å; Q367-Y370 PolarHBondContact N-O 2.96Å; Q367-Y370 CarbonylContact O-C 2.97Å; Q367-Y370 WeakPolarHBondContact O-CA 3.25Å; Q367-Y370 PolarHBondContact O-N 2.93Å; Q367-F371 PolarHBondContact O-N 2.81Å
368	H	94.1	Very high	96	Very high	58 Å²	58	37 Å²	37	27%	0.269	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	138	173.4	-57.4	109.3	0	0	0	111	F321 Y350 M358 P359 Y370	F321-H368 AromaticContact CE2-CE1 3.85Å; Y350-H368 AromaticContact CE2-NE2 3.41Å; Y350-H368 WeakPolarHBondContact CE2-NE2 3.16Å; Y350-H368 AromaticContact CZ-NE2 3.94Å; M358-H368 VanDerWaalsContact CE-CE1 3.44Å; M358-H368 WeakPolarHBondContact CE-CE1 3.28Å; M358-H368 VanDerWaalsContact CE-NE2 3.28Å; M358-H368 WeakPolarHBondContact CE-NE2 3.44Å; P359-H368 HydrophobicContact CG-CB 4.32Å; H368-Y370 PolarHBondContact O-N 2.88Å
369	D	92.1	Very high	95.7	Very high	96 Å²	96	35.3 Å²	35.3	51%	0.513	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-6.9	-174.3	-52.7	-48.5	0	0	0	117	Q367 R385	Q367-D369 PolarHBondContact O-N 2.89Å; D369-R385 WeakPolarHBondContact O-CD 3.01Å; D369-R385 PolarHBondContact O-NH1 2.88Å
370	Y	95.8	Very high	95.6	Very high	139 Å²	139	34.5 Å²	34.5	55%	0.545	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	51.7	-177.8	-63.4	-87.4	0	0	0	111.2	Q367 H368 R385	Q367-Y370 HydrophobicContact CG-CD2 4.39Å; Q367-Y370 PolarHBondContact N-O 2.96Å; Q367-Y370 CarbonylContact O-C 2.97Å; Q367-Y370 WeakPolarHBondContact O-CA 3.25Å; Q367-Y370 PolarHBondContact O-N 2.93Å; H368-Y370 PolarHBondContact O-N 2.88Å; Y370-R385 HydrophobicContact CD1-CB 4.31Å
371	F	97.9	Very high	95.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.3	178.4	-66.2	-90.3	0	0	0	111.5	F321 Y350 G365 Q367 L373 W374 H383 R385	F321-F371 HydrophobicContact CE1-CD1 4.42Å; F321-F371 AromaticContact CE1-CE1 3.62Å; F321-F371 HydrophobicContact CE1-CE1 3.62Å; F321-F371 HydrophobicContact CE1-CZ 4.43Å; F321-F371 AromaticContact CZ-CE1 3.87Å; F321-F371 HydrophobicContact CZ-CE1 3.87Å; F321-F371 HydrophobicContact CZ-CZ 4.31Å; Y350-F371 HydrophobicContact CD1-CZ 4.14Å; Y350-F371 HydrophobicContact CG-CE1 4.23Å; Y350-F371 HydrophobicContact CG-CZ 4.16Å; G365-F371 CarbonylContact O-C 3.37Å; G365-F371 WeakPolarHBondContact O-CA 3.04Å; Q367-F371 PolarHBondContact O-N 2.81Å; F371-L373 WeakPolarHBondContact CB-O 3.29Å; F371-L373 PolarHBondContact O-N 3.25Å; F371-W374 HydrophobicContact CB-CB 3.98Å; F371-W374 HydrophobicContact CD1-CE3 4.49Å; F371-W374 HydrophobicContact CD2-CB 4.21Å; F371-W374 AromaticContact CD2-CD2 4Å; F371-W374 HydrophobicContact CD2-CD2 4Å; F371-W374 AromaticContact CD2-CE3 3.41Å; F371-W374 HydrophobicContact CD2-CE3 3.41Å; F371-W374 VanDerWaalsContact CD2-CE3 3.41Å; F371-W374 HydrophobicContact CD2-CG 4.35Å; F371-W374 HydrophobicContact CD2-CZ3 4.1Å; F371-W374 HydrophobicContact CE1-CE3 4.41Å; F371-W374 HydrophobicContact CE2-CD2 4.18Å; F371-W374 AromaticContact CE2-CE3 3.34Å; F371-W374 HydrophobicContact CE2-CE3 3.34Å; F371-W374 HydrophobicContact CE2-CH2 4.46Å; F371-W374 AromaticContact CE2-CZ3 3.52Å; F371-W374 HydrophobicContact CE2-CZ3 3.52Å; F371-W374 HydrophobicContact CG-CB 4.38Å; F371-W374 HydrophobicContact CG-CE3 4.02Å; F371-W374 AromaticContact CZ-CE3 3.88Å; F371-W374 HydrophobicContact CZ-CE3 3.88Å; F371-W374 AromaticContact CZ-CZ3 3.77Å; F371-W374 HydrophobicContact CZ-CZ3 3.77Å; F371-H383 AromaticContact CD2-NE2 3.89Å; F371-R385 PolarHBondContact O-N 3.5Å
372	G	97.9	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-34.8	169	0	0	0	0	0	111.6	M364 G365 S384	M364-G372 PolarHBondContact O-N 3.1Å; G365-G372 PolarHBondContact O-N 3.17Å; G372-S384 WeakPolarHBondContact O-CA 3.5Å; G372-S384 WeakPolarHBondContact O-CB 3.48Å; G372-S384 PolarHBondContact O-OG 2.57Å
373	L	98.4	Very high	95.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.9	169.9	171.5	61.4	0	0	0	109.3	L297 L299 F307 L329 G363 M364 F371 F404	L297-L373 HydrophobicContact CD2-CD2 4.35Å; L299-L373 HydrophobicContact CD1-CD1 4.06Å; L299-L373 HydrophobicContact CD1-CD2 3.82Å; L299-L373 HydrophobicContact CD2-CD1 4.31Å; F307-L373 HydrophobicContact CD2-CD1 3.98Å; F307-L373 HydrophobicContact CE2-CD1 3.64Å; L329-L373 HydrophobicContact CD1-CB 4.27Å; L329-L373 HydrophobicContact CD2-CB 3.96Å; L329-L373 HydrophobicContact CD2-CD2 3.91Å; G363-L373 CarbonylContact C-O 3.48Å; G363-L373 VanDerWaalsContact CA-O 3.32Å; G363-L373 WeakPolarHBondContact CA-O 3.45Å; M364-L373 HydrophobicContact CB-CB 4.41Å; M364-L373 PolarHBondContact N-O 3.02Å; M364-L373 PolarHBondContact O-N 2.83Å; M364-L373 VanDerWaalsContact O-N 3.1Å; F371-L373 WeakPolarHBondContact CB-O 3.29Å; F371-L373 PolarHBondContact O-N 3.25Å; L373-F404 HydrophobicContact CD1-CZ 4.24Å
374	W	98.2	Very high	95.7	Very high	13 Å²	13	42 Å²	42	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.3	174.5	176.2	-103.2	0	0	0	111.2	Y350 P359 N360 G361 L362 F371 G382 H383 F404	Y350-W374 HydrophobicContact CD1-CH2 4.3Å; Y350-W374 AromaticContact CD1-CZ3 3.69Å; Y350-W374 HydrophobicContact CD1-CZ3 3.69Å; Y350-W374 AromaticContact CE1-CH2 3.98Å; Y350-W374 HydrophobicContact CE1-CH2 3.98Å; Y350-W374 AromaticContact CE1-CZ3 3.81Å; Y350-W374 HydrophobicContact CE1-CZ3 3.81Å; P359-W374 HydrophobicContact CB-CH2 3.56Å; P359-W374 HydrophobicContact CB-CZ2 4Å; P359-W374 HydrophobicContact CB-CZ3 4.35Å; N360-W374 WeakPolarHBondContact O-CZ2 3.47Å; G361-W374 VanDerWaalsContact CA-CH2 3.49Å; L362-W374 CarbonylContact O-C 3.55Å; L362-W374 WeakPolarHBondContact O-CA 3.42Å; L362-W374 VanDerWaalsContact O-CE3 3.24Å; F371-W374 HydrophobicContact CB-CB 3.98Å; F371-W374 HydrophobicContact CD1-CE3 4.49Å; F371-W374 HydrophobicContact CD2-CB 4.21Å; F371-W374 AromaticContact CD2-CD2 4Å; F371-W374 HydrophobicContact CD2-CD2 4Å; F371-W374 AromaticContact CD2-CE3 3.41Å; F371-W374 HydrophobicContact CD2-CE3 3.41Å; F371-W374 VanDerWaalsContact CD2-CE3 3.41Å; F371-W374 HydrophobicContact CD2-CG 4.35Å; F371-W374 HydrophobicContact CD2-CZ3 4.1Å; F371-W374 HydrophobicContact CE1-CE3 4.41Å; F371-W374 HydrophobicContact CE2-CD2 4.18Å; F371-W374 AromaticContact CE2-CE3 3.34Å; F371-W374 HydrophobicContact CE2-CE3 3.34Å; F371-W374 HydrophobicContact CE2-CH2 4.46Å; F371-W374 AromaticContact CE2-CZ3 3.52Å; F371-W374 HydrophobicContact CE2-CZ3 3.52Å; F371-W374 HydrophobicContact CG-CB 4.38Å; F371-W374 HydrophobicContact CG-CE3 4.02Å; F371-W374 AromaticContact CZ-CE3 3.88Å; F371-W374 HydrophobicContact CZ-CE3 3.88Å; F371-W374 AromaticContact CZ-CZ3 3.77Å; F371-W374 HydrophobicContact CZ-CZ3 3.77Å; W374-G382 CarbonylContact O-C 3.57Å; W374-G382 WeakPolarHBondContact O-CA 3.28Å; W374-H383 WeakPolarHBondContact CB-CE1 3.03Å; W374-H383 VanDerWaalsContact CB-NE2 3.33Å; W374-H383 WeakPolarHBondContact CB-NE2 3.47Å; W374-H383 AromaticContact CD1-CE1 3.28Å; W374-H383 AromaticContact CD1-ND1 3.25Å; W374-H383 VanDerWaalsContact CD1-ND1 3.25Å; W374-H383 AromaticContact CG-CE1 3.27Å; W374-H383 AromaticContact CG-ND1 3.62Å; W374-H383 AromaticContact CG-NE2 3.74Å; W374-H383 PolarHBondContact N-O 2.87Å; W374-H383 PolarHBondContact O-N 2.76Å; W374-F404 WeakPolarHBondContact O-CZ 3.33Å
375	L	97.9	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.9	168.7	173.6	48.8	0	0	0	109.1	F282 M285 L299 G361 L362 R381 L406 V409	F282-L375 HydrophobicContact CD2-CG 4.31Å; F282-L375 HydrophobicContact CE2-CG 4.24Å; M285-L375 HydrophobicContact CE-CD2 3.56Å; M285-L375 HydrophobicContact CE-CG 4.4Å; M285-L375 HydrophobicContact SD-CD2 3.86Å; L299-L375 HydrophobicContact CD2-CD2 4.31Å; G361-L375 CarbonylContact C-O 3.5Å; G361-L375 VanDerWaalsContact CA-O 3.25Å; G361-L375 WeakPolarHBondContact CA-O 3.47Å; L362-L375 HydrophobicContact CB-CB 4.47Å; L362-L375 PolarHBondContact N-O 3.28Å; L362-L375 PolarHBondContact O-N 2.64Å; L375-R381 VanDerWaalsContact CD1-O 3.26Å; L375-R381 WeakPolarHBondContact CD1-O 3.33Å; L375-L406 HydrophobicContact CD1-CD1 3.22Å; L375-L406 HydrophobicContact CD1-CG 4.26Å; L375-L406 HydrophobicContact CD2-CD1 4.07Å; L375-L406 HydrophobicContact CG-CD1 4.29Å; L375-V409 HydrophobicContact CD2-CG2 4.49Å
376	D	96.3	Very high	95.2	Very high	52 Å²	52	45.3 Å²	45.3	28%	0.278	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	147.4	-178.8	-159.9	-77.2	0	0	0	112.6	F282 D378 F379 R381	F282-D376 WeakPolarHBondContact CD2-O 3.36Å; D376-D378 PolarHBondContact O-N 2.7Å; D376-D378 WeakPolarHBondContact OD1-CB 3.45Å; D376-D378 PolarHBondContact OD1-N 2.97Å; D376-F379 PolarHBondContact O-N 3.03Å; D376-R381 WeakPolarHBondContact CB-O 3.49Å; D376-R381 PolarHBondContact N-O 2.98Å
377	S	95.1	Very high	94.8	Very high	32 Å²	32	53.9 Å²	53.9	22%	0.224	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.6	176.2	63.5	0	0	0	0	114.8	F282 N360 F379	F282-S377 WeakPolarHBondContact CB-O 3.31Å; N360-S377 VanDerWaalsContact CB-OG 3.27Å; N360-S377 WeakPolarHBondContact CB-OG 3.49Å; N360-S377 VanDerWaalsContact O-CB 3.32Å; N360-S377 WeakPolarHBondContact O-CB 3.32Å; N360-S377 PolarHBondContact O-N 3.46Å; N360-S377 VanDerWaalsContact O-N 3.11Å; N360-S377 PolarHBondContact O-OG 3.06Å; S377-F379 PolarHBondContact O-N 3.17Å
378	D	90.6	Very high	94.4	Very high	144 Å²	144	54.7 Å²	54.7	77%	0.77	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.7	173	-73.7	-17.3	0	0	0	112.6	D376	D376-D378 PolarHBondContact O-N 2.7Å; D376-D378 WeakPolarHBondContact OD1-CB 3.45Å; D376-D378 PolarHBondContact OD1-N 2.97Å
379	F	87.8	Confident	94.4	Very high	19 Å²	19	58.6 Å²	58.6	8%	0.083	28%	0.278	C	S	.	.	S	Bend	trans	60.6	163.8	-174.3	-151.5	-91.9	0	0	0	112.8	F273 T275 E280 F282 M285 D376 S377 R381 V409	F273-F379 HydrophobicContact CE1-CE2 4.46Å; F273-F379 HydrophobicContact CE1-CZ 4.36Å; F273-F379 HydrophobicContact CZ-CE2 4.36Å; F273-F379 HydrophobicContact CZ-CZ 4.36Å; T275-F379 HydrophobicContact CG2-CE1 3.85Å; T275-F379 HydrophobicContact CG2-CZ 3.58Å; E280-F379 VanDerWaalsContact CA-CE1 3.41Å; E280-F379 HydrophobicContact CB-CD1 3.51Å; E280-F379 HydrophobicContact CB-CE1 3.51Å; E280-F379 HydrophobicContact CB-CZ 4.48Å; E280-F379 HydrophobicContact CG-CD1 4.13Å; E280-F379 HydrophobicContact CG-CE1 3.74Å; F282-F379 HydrophobicContact CB-CB 4.27Å; F282-F379 HydrophobicContact CB-CD2 3.87Å; M285-F379 HydrophobicContact SD-CE2 4.18Å; D376-F379 PolarHBondContact O-N 3.03Å; S377-F379 PolarHBondContact O-N 3.17Å; F379-R381 PolarHBondContact O-N 3.06Å; F379-R381 VanDerWaalsContact O-N 3.08Å; F379-V409 HydrophobicContact CZ-CG2 4.29Å
380	G	91.4	Very high	94.6	Very high	16 Å²	16	54.4 Å²	54.4	17%	0.165	26%	0.256	C	S	.	.	S	Bend	trans	78.6	-12.2	174.2	0	0	0	0	0	116	V405 L406	G380-V405 WeakPolarHBondContact O-CA 3.37Å; G380-L406 PolarHBondContact O-N 2.82Å
381	R	96	Very high	94.6	Very high	180 Å²	180	50.9 Å²	50.9	68%	0.679	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134	149.8	178.6	-63	-176.7	-179.3	-158.5	-0.5	112.2	L375 D376 F379 F404	L375-R381 VanDerWaalsContact CD1-O 3.26Å; L375-R381 WeakPolarHBondContact CD1-O 3.33Å; D376-R381 WeakPolarHBondContact CB-O 3.49Å; D376-R381 PolarHBondContact N-O 2.98Å; F379-R381 PolarHBondContact O-N 3.06Å; F379-R381 VanDerWaalsContact O-N 3.08Å; R381-F404 WeakPolarHBondContact CA-O 3.24Å
382	G	97.4	Very high	94.6	Very high	6 Å²	6	50.8 Å²	50.8	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-178.3	176.7	0	0	0	0	0	111.7	W374 D403 F404	W374-G382 CarbonylContact O-C 3.57Å; W374-G382 WeakPolarHBondContact O-CA 3.28Å; G382-D403 WeakPolarHBondContact O-CA 3.43Å; G382-F404 VanDerWaalsContact C-CE1 3.48Å; G382-F404 PolarHBondContact N-O 2.92Å; G382-F404 PolarHBondContact O-N 3.08Å
383	H	97.9	Very high	94.7	Very high	12 Å²	12	51 Å²	51	6%	0.056	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.8	173.8	64.2	-108.2	0	0	0	112.5	F371 W374 R385 E402 D403 F404	F371-H383 AromaticContact CD2-NE2 3.89Å; W374-H383 WeakPolarHBondContact CB-CE1 3.03Å; W374-H383 VanDerWaalsContact CB-NE2 3.33Å; W374-H383 WeakPolarHBondContact CB-NE2 3.47Å; W374-H383 AromaticContact CD1-CE1 3.28Å; W374-H383 AromaticContact CD1-ND1 3.25Å; W374-H383 VanDerWaalsContact CD1-ND1 3.25Å; W374-H383 AromaticContact CG-CE1 3.27Å; W374-H383 AromaticContact CG-ND1 3.62Å; W374-H383 AromaticContact CG-NE2 3.74Å; W374-H383 PolarHBondContact N-O 2.87Å; W374-H383 PolarHBondContact O-N 2.76Å; H383-R385 HydrophobicContact CB-CG 4.17Å; H383-E402 CarbonylContact C-O 3.53Å; H383-E402 WeakPolarHBondContact CA-O 3.35Å; H383-E402 VanDerWaalsContact CB-O 3.25Å; H383-E402 WeakPolarHBondContact CB-O 3.03Å; H383-D403 WeakPolarHBondContact CB-OD1 3.17Å; H383-F404 VanDerWaalsContact C-CE1 3.44Å; H383-F404 VanDerWaalsContact N-CE1 3.29Å
384	S	97.9	Very high	94.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.258	C	S	.	.			trans	-128.2	78.1	171.2	-171.3	0	0	0	0	108.9	G372 A386 L398 S399 E402	G372-S384 WeakPolarHBondContact O-CA 3.5Å; G372-S384 WeakPolarHBondContact O-CB 3.48Å; G372-S384 PolarHBondContact O-OG 2.57Å; S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 VanDerWaalsContact O-N 3.14Å; S384-L398 PolarHBondContact OG-N 3.26Å; S384-S399 VanDerWaalsContact CB-OG 3.23Å; S384-S399 WeakPolarHBondContact CB-OG 3.43Å; S384-E402 PolarHBondContact N-O 3.1Å
385	R	96.3	Very high	94.6	Very high	66 Å²	66	51.2 Å²	51.2	25%	0.249	26%	0.256	C	S	.	.			trans	-91.3	74.1	-173.2	-76	174.4	-173.5	172.9	7	110.6	D369 Y370 F371 H383 E402 D403	D369-R385 WeakPolarHBondContact O-CD 3.01Å; D369-R385 PolarHBondContact O-NH1 2.88Å; Y370-R385 HydrophobicContact CD1-CB 4.31Å; F371-R385 PolarHBondContact O-N 3.5Å; H383-R385 HydrophobicContact CB-CG 4.17Å; R385-E402 HydrophobicContact CB-CG 4.45Å; R385-E402 HydrophobicContact CG-CG 3.45Å; R385-E402 VanDerWaalsContact CG-CG 3.45Å; R385-E402 IonicContact NE-OE1 3.69Å; R385-D403 IonicContact CZ-OD1 2.83Å; R385-D403 IonicContact NE-OD1 3.94Å; R385-D403 IonicContact NH2-OD1 3.6Å; R385-D403 PolarHBondContact NH2-OD1 3.22Å; R385-D403 IonicContact NH2-OD2 3.65Å
386	A	90.8	Very high	94.6	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	27%	0.271	C	S	.	.			trans	-116.8	42.8	-172.6	0	0	0	0	0	112.7	S384 P388 K389 C390 N395	S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 VanDerWaalsContact O-N 3.14Å; A386-P388 CarbonylContact O-C 3.18Å; A386-P388 VanDerWaalsContact O-O 3.09Å; A386-K389 CarbonylContact O-C 3.55Å; A386-K389 WeakPolarHBondContact O-CA 3.4Å; A386-K389 PolarHBondContact O-N 3.46Å; A386-C390 HydrophobicContact CB-CB 3.96Å; A386-N395 WeakPolarHBondContact CB-O 3.12Å
387	R	85.6	Confident	94.6	Very high	183 Å²	183	53.7 Å²	53.7	69%	0.691	27%	0.27	S	S	*	.	S	Bend	trans	-95.1	126.2	-178.1	-68.4	-176.3	179.9	-178	3.7	112.4	E402	R387-E402 IonicContact CZ-OE2 2.73Å; R387-E402 IonicContact NE-OE2 3.51Å
388	P	86.5	Confident	94.8	Very high	127 Å²	127	52.4 Å²	52.4	83%	0.825	26%	0.261	S	S	*	.	S	Bend	cis	-74.3	-27.7	-6.3	30.7	-34.5	0	0	0	113.3	A386	A386-P388 CarbonylContact O-C 3.18Å; A386-P388 VanDerWaalsContact O-O 3.09Å
389	K	94.7	Very high	95.1	Very high	139 Å²	139	45.8 Å²	45.8	60%	0.604	23%	0.225	S	C	*	.			trans	-146.6	150.7	170.5	-70.2	-179.2	171.7	-172.6	0	109.3	A386 G394 N395	A386-K389 CarbonylContact O-C 3.55Å; A386-K389 WeakPolarHBondContact O-CA 3.4Å; A386-K389 PolarHBondContact O-N 3.46Å; K389-G394 WeakPolarHBondContact CD-O 3.49Å; K389-N395 WeakPolarHBondContact CA-O 3.25Å
390	C	96.8	Very high	95.6	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.061	23%	0.226	C	C	.	.			trans	-61.1	137.5	169.1	178.9	0	0	0	0	109.9	G365 G366 A386 G394 N395	G365-C390 VanDerWaalsContact C-SG 3.53Å; G366-C390 PolarHBondContact N-SG 2.84Å; G366-C390 VanDerWaalsContact N-SG 3.36Å; A386-C390 HydrophobicContact CB-CB 3.96Å; C390-G394 WeakPolarHBondContact O-CA 3.49Å; C390-G394 PolarHBondContact O-N 3.05Å; C390-N395 WeakPolarHBondContact CB-OD1 3.27Å; C390-N395 PolarHBondContact N-O 2.96Å
391	T	96.3	Very high	95.8	Very high	64 Å²	64	48.2 Å²	48.2	39%	0.393	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-36.8	-178.4	49.8	0	0	0	0	112.9	T342 Y344 N345	T342-T391 PolarHBondContact OG1-O 2.84Å; Y344-T391 HydrophobicContact CD1-CG2 4.35Å; Y344-T391 HydrophobicContact CE1-CG2 4.27Å; N345-T391 PolarHBondContact ND2-OG1 2.88Å
392	T	98.1	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-42.3	-175.3	-48.8	0	0	0	0	113.1	A341 T342 N345 F348 G366	A341-T392 CarbonylContact C-O 3.19Å; A341-T392 WeakPolarHBondContact CA-O 3.18Å; T342-T392 PolarHBondContact N-O 2.7Å; T342-T392 PolarHBondContact OG1-O 3.33Å; N345-T392 PolarHBondContact ND2-OG1 3.11Å; N345-T392 WeakPolarHBondContact OD1-CB 3.38Å; N345-T392 WeakPolarHBondContact OD1-CG2 3.18Å; N345-T392 PolarHBondContact OD1-OG1 2.85Å; F348-T392 HydrophobicContact CD1-CG2 3.82Å; F348-T392 HydrophobicContact CE1-CG2 4.13Å; G366-T392 PolarHBondContact N-OG1 2.94Å
393	Y	98.3	Very high	95.9	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.02	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-8.3	-173.5	-62.4	-60.3	0	0	0	114.3	C327 L329 Y339 T340 A341 F348 M364 N395	C327-Y393 HydrophobicContact CB-CE1 4.33Å; C327-Y393 WeakPolarHBondContact CB-OH 3.26Å; C327-Y393 VanDerWaalsContact O-CE1 3.26Å; C327-Y393 WeakPolarHBondContact O-CE1 3.32Å; L329-Y393 HydrophobicContact CB-CD2 4.47Å; L329-Y393 HydrophobicContact CD1-CD2 3.52Å; L329-Y393 HydrophobicContact CD1-CE2 4.15Å; L329-Y393 HydrophobicContact CD1-CG 4.28Å; L329-Y393 HydrophobicContact CG-CD2 3.6Å; L329-Y393 HydrophobicContact CG-CE2 3.95Å; L329-Y393 HydrophobicContact CG-CG 4.17Å; Y339-Y393 WeakPolarHBondContact CB-O 3.36Å; T340-Y393 WeakPolarHBondContact O-CA 3.31Å; A341-Y393 HydrophobicContact CB-CD1 4.47Å; A341-Y393 HydrophobicContact CB-CE1 4.38Å; F348-Y393 WeakPolarHBondContact CA-OH 3.45Å; F348-Y393 WeakPolarHBondContact CB-OH 3.49Å; F348-Y393 HydrophobicContact CD1-CE1 4.16Å; F348-Y393 PolarHBondContact O-OH 3.07Å; M364-Y393 HydrophobicContact CB-CE2 4.34Å; Y393-N395 PolarHBondContact O-N 2.81Å; Y393-N395 VanDerWaalsContact O-N 3.1Å
394	G	97.6	Very high	95.9	Very high	19 Å²	19	46.3 Å²	46.3	20%	0.196	24%	0.237	C	C	.	.			trans	65.7	12	-177.7	0	0	0	0	0	114.1	K389 C390	K389-G394 WeakPolarHBondContact CD-O 3.49Å; C390-G394 WeakPolarHBondContact O-CA 3.49Å; C390-G394 PolarHBondContact O-N 3.05Å
395	N	97.9	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.			trans	-72	147.6	176.7	67.7	-72.6	0	0	0	111.2	L329 Y339 A386 K389 C390 Y393 L398	L329-N395 WeakPolarHBondContact CD1-OD1 3.14Å; Y339-N395 HydrophobicContact CD1-CB 3.73Å; Y339-N395 HydrophobicContact CD2-CB 3.65Å; Y339-N395 HydrophobicContact CE1-CB 4.15Å; Y339-N395 HydrophobicContact CE2-CB 4.09Å; Y339-N395 HydrophobicContact CG-CB 3.44Å; Y339-N395 VanDerWaalsContact CG-CB 3.44Å; A386-N395 WeakPolarHBondContact CB-O 3.12Å; K389-N395 WeakPolarHBondContact CA-O 3.25Å; C390-N395 WeakPolarHBondContact CB-OD1 3.27Å; C390-N395 PolarHBondContact N-O 2.96Å; Y393-N395 PolarHBondContact O-N 2.81Å; Y393-N395 VanDerWaalsContact O-N 3.1Å; N395-L398 HydrophobicContact CB-CD2 4.2Å
396	P	97.1	Very high	95.9	Very high	48 Å²	48	47.5 Å²	47.5	31%	0.312	25%	0.251	S	S	.	.			trans	-75.8	-176.6	162.2	37.4	-34.9	0	0	0	109.8	Y339 L398	Y339-P396 HydrophobicContact CE1-CG 4.33Å; Y339-P396 WeakPolarHBondContact OH-CD 3.33Å; Y339-P396 WeakPolarHBondContact OH-CG 3.34Å; P396-L398 PolarHBondContact O-N 2.85Å
397	Q	97.5	Very high	96.2	Very high	56 Å²	56	51.2 Å²	51.2	26%	0.262	27%	0.27	S	S	.	.			trans	-52.1	126.5	165.8	-171.3	-172.3	-68.2	0	0	109.8	S399 A400 D401	Q397-S399 PolarHBondContact NE2-O 3.03Å; Q397-A400 VanDerWaalsContact NE2-C 3.3Å; Q397-A400 PolarHBondContact NE2-O 3.12Å; Q397-D401 VanDerWaalsContact NE2-C 3.33Å
398	L	97.9	Very high	96.8	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	24%	0.238	C	C	.	.			trans	-92.3	-36.8	-177.6	-62.1	173.8	0	0	0	112.3	F307 L329 Y339 S384 N395 P396	F307-L398 HydrophobicContact CB-CB 3.84Å; F307-L398 HydrophobicContact CD1-CB 4.43Å; F307-L398 WeakPolarHBondContact CD1-O 3.1Å; F307-L398 HydrophobicContact CD2-CB 3.86Å; F307-L398 HydrophobicContact CD2-CD1 4.42Å; F307-L398 HydrophobicContact CG-CB 3.78Å; L329-L398 HydrophobicContact CB-CD1 4.15Å; L329-L398 HydrophobicContact CD1-CD1 4.05Å; L329-L398 HydrophobicContact CG-CD1 4.48Å; Y339-L398 HydrophobicContact CD2-CD2 4.12Å; Y339-L398 HydrophobicContact CE2-CD2 3.68Å; S384-L398 PolarHBondContact OG-N 3.26Å; N395-L398 HydrophobicContact CB-CD2 4.2Å; P396-L398 PolarHBondContact O-N 2.85Å
399	S	97.9	Very high	97.3	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.028	20%	0.199	C	C	.	.	S	Bend	trans	-78.4	166.3	176.7	47.3	0	0	0	0	111.9	F307 S384 Q397 D401 F404	F307-S399 VanDerWaalsContact CE1-CA 3.49Å; S384-S399 VanDerWaalsContact CB-OG 3.23Å; S384-S399 WeakPolarHBondContact CB-OG 3.43Å; Q397-S399 PolarHBondContact NE2-O 3.03Å; S399-D401 VanDerWaalsContact C-N 3.34Å; S399-D401 WeakPolarHBondContact CB-O 3.38Å; S399-D401 PolarHBondContact O-N 2.82Å; S399-D401 PolarHBondContact OG-O 2.83Å; S399-F404 WeakPolarHBondContact OG-CD1 3.45Å
400	A	97.5	Very high	97.5	Very high	11 Å²	11	30 Å²	30	9%	0.091	17%	0.17	C	C	.	.	S	Bend	trans	-64.3	-40.5	179.7	0	0	0	0	0	112.2	D301 R303 H305 Q397	D301-A400 VanDerWaalsContact OD2-CB 3.28Å; D301-A400 WeakPolarHBondContact OD2-CB 3.46Å; D301-A400 PolarHBondContact OD2-N 3.45Å; R303-A400 HydrophobicContact CB-CB 3.73Å; R303-A400 HydrophobicContact CG-CB 4.15Å; R303-A400 PolarHBondContact NH2-O 2.97Å; H305-A400 PolarHBondContact CD2-N 3.1Å; H305-A400 VanDerWaalsContact CE1-CB 3.44Å; H305-A400 WeakPolarHBondContact CE1-CB 3.14Å; H305-A400 WeakPolarHBondContact ND1-CB 3.5Å; Q397-A400 VanDerWaalsContact NE2-C 3.3Å; Q397-A400 PolarHBondContact NE2-O 3.12Å
401	D	97	Very high	97.5	Very high	76 Å²	76	29.5 Å²	29.5	41%	0.406	17%	0.167	S	C	.	.	S	Bend	trans	-121.9	165.7	172.8	-62	-51.2	0	0	0	110.2	R303 Q397 S399 D403	R303-D401 IonicContact CZ-OD1 3.26Å; R303-D401 IonicContact CZ-OD2 2.78Å; R303-D401 IonicContact NE-OD2 3.67Å; R303-D401 IonicContact NH1-OD1 3.63Å; R303-D401 PolarHBondContact NH1-OD1 2.79Å; R303-D401 IonicContact NH1-OD2 2.74Å; R303-D401 PolarHBondContact NH1-OD2 3.15Å; R303-D401 IonicContact NH2-OD1 2.95Å; R303-D401 PolarHBondContact NH2-OD1 2.9Å; R303-D401 IonicContact NH2-OD2 2.68Å; R303-D401 PolarHBondContact NH2-OD2 3.17Å; Q397-D401 VanDerWaalsContact NE2-C 3.33Å; S399-D401 VanDerWaalsContact C-N 3.34Å; S399-D401 WeakPolarHBondContact CB-O 3.38Å; S399-D401 PolarHBondContact O-N 2.82Å; S399-D401 PolarHBondContact OG-O 2.83Å; D401-D403 WeakPolarHBondContact CB-O 3.45Å
402	E	96.9	Very high	97.6	Very high	57 Å²	57	26.6 Å²	26.6	27%	0.266	15%	0.149	S	C	.	.	S	Bend	trans	-59	-48.9	-179.7	-176.5	175.1	115.6	0	0	112	H383 S384 R385 R387	H383-E402 CarbonylContact C-O 3.53Å; H383-E402 WeakPolarHBondContact CA-O 3.35Å; H383-E402 VanDerWaalsContact CB-O 3.25Å; H383-E402 WeakPolarHBondContact CB-O 3.03Å; S384-E402 PolarHBondContact N-O 3.1Å; R385-E402 HydrophobicContact CB-CG 4.45Å; R385-E402 HydrophobicContact CG-CG 3.45Å; R385-E402 VanDerWaalsContact CG-CG 3.45Å; R385-E402 IonicContact NE-OE1 3.69Å; R387-E402 IonicContact CZ-OE2 2.73Å; R387-E402 IonicContact NE-OE2 3.51Å
403	D	97.8	Very high	97.5	Very high	88 Å²	88	26.6 Å²	26.6	47%	0.471	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.3	167.4	-56	-70.4	0	0	0	108.7	G382 H383 R385 D401	G382-D403 WeakPolarHBondContact O-CA 3.43Å; H383-D403 WeakPolarHBondContact CB-OD1 3.17Å; R385-D403 IonicContact CZ-OD1 2.83Å; R385-D403 IonicContact NE-OD1 3.94Å; R385-D403 IonicContact NH2-OD1 3.6Å; R385-D403 PolarHBondContact NH2-OD1 3.22Å; R385-D403 IonicContact NH2-OD2 3.65Å; D401-D403 WeakPolarHBondContact CB-O 3.45Å
404	F	97.9	Very high	97.3	Very high	12 Å²	12	26.4 Å²	26.4	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.3	-175.7	61.4	-100.7	0	0	0	112.7	D301 F307 L373 W374 R381 G382 H383 S399 L406	D301-F404 HydrophobicContact CB-CB 4.06Å; D301-F404 HydrophobicContact CB-CD2 4.42Å; D301-F404 HydrophobicContact CB-CG 4.43Å; F307-F404 HydrophobicContact CE2-CE1 4.04Å; F307-F404 HydrophobicContact CE2-CZ 4.01Å; F307-F404 HydrophobicContact CZ-CD1 4.18Å; F307-F404 HydrophobicContact CZ-CD2 4.47Å; F307-F404 AromaticContact CZ-CE1 3.91Å; F307-F404 HydrophobicContact CZ-CE1 3.91Å; F307-F404 HydrophobicContact CZ-CE2 4.28Å; F307-F404 HydrophobicContact CZ-CG 4.43Å; F307-F404 AromaticContact CZ-CZ 3.98Å; F307-F404 HydrophobicContact CZ-CZ 3.98Å; L373-F404 HydrophobicContact CD1-CZ 4.24Å; W374-F404 WeakPolarHBondContact O-CZ 3.33Å; R381-F404 WeakPolarHBondContact CA-O 3.24Å; G382-F404 VanDerWaalsContact C-CE1 3.48Å; G382-F404 PolarHBondContact N-O 2.92Å; G382-F404 PolarHBondContact O-N 3.08Å; H383-F404 VanDerWaalsContact C-CE1 3.44Å; H383-F404 VanDerWaalsContact N-CE1 3.29Å; S399-F404 WeakPolarHBondContact OG-CD1 3.45Å; F404-L406 HydrophobicContact CD2-CD2 4.05Å; F404-L406 HydrophobicContact CD2-CG 4.37Å; F404-L406 HydrophobicContact CE2-CD2 3.53Å; F404-L406 HydrophobicContact CE2-CG 4.01Å
405	V	97.9	Very high	96.8	Very high	76 Å²	76	25.7 Å²	25.7	46%	0.461	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.5	168	179.9	0	0	0	0	108	D301 S302 G380	D301-V405 CarbonylContact C-O 3.52Å; D301-V405 WeakPolarHBondContact CA-O 3.41Å; S302-V405 PolarHBondContact N-O 3.12Å; G380-V405 WeakPolarHBondContact O-CA 3.37Å
406	L	96.6	Very high	96.1	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.9	176.8	-72.4	176.9	0	0	0	111.3	L299 L375 G380 F404 V409	L299-L406 HydrophobicContact CB-CD2 4.01Å; L299-L406 HydrophobicContact CD2-CD2 3.7Å; L299-L406 HydrophobicContact CG-CD2 4.4Å; L375-L406 HydrophobicContact CD1-CD1 3.22Å; L375-L406 HydrophobicContact CD1-CG 4.26Å; L375-L406 HydrophobicContact CD2-CD1 4.07Å; L375-L406 HydrophobicContact CG-CD1 4.29Å; G380-L406 PolarHBondContact O-N 2.82Å; F404-L406 HydrophobicContact CD2-CD2 4.05Å; F404-L406 HydrophobicContact CD2-CG 4.37Å; F404-L406 HydrophobicContact CE2-CD2 3.53Å; F404-L406 HydrophobicContact CE2-CG 4.01Å; L406-V409 HydrophobicContact CD1-CG2 3.68Å; L406-V409 HydrophobicContact CD2-CG2 4.1Å; L406-V409 HydrophobicContact CG-CG2 4.43Å
407	D	97.1	Very high	95	Very high	81 Å²	81	34.6 Å²	34.6	43%	0.433	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-41	167.8	176.5	61.5	0	0	0	111.2	R300	R300-D407 IonicContact CZ-OD2 2.96Å; R300-D407 IonicContact NE-OD2 3.62Å; R300-D407 PolarHBondContact NE-OD2 3.03Å; R300-D407 IonicContact NH2-OD2 3.19Å; R300-D407 PolarHBondContact NH2-OD2 3.43Å; R300-D407 PolarHBondContact O-N 3.07Å
408	A	97.4	Very high	93.5	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.1	176.9	0	0	0	0	0	112.2	L248 T275 L299 R300	L248-A408 HydrophobicContact CD2-CB 4.29Å; T275-A408 WeakPolarHBondContact OG1-CA 3.44Å; L299-A408 CarbonylContact C-O 3.55Å; L299-A408 WeakPolarHBondContact CA-O 3.19Å; R300-A408 HydrophobicContact CB-CB 4.2Å; R300-A408 PolarHBondContact N-O 3.29Å; R300-A408 PolarHBondContact O-N 2.81Å
409	V	98.1	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	169.2	-179.3	0	0	0	0	109.7	F273 S274 T275 M285 L297 L298 L299 L375 F379 L406	F273-V409 HydrophobicContact CD1-CG1 4.37Å; F273-V409 HydrophobicContact CE1-CB 4.37Å; F273-V409 HydrophobicContact CE1-CG1 4.35Å; S274-V409 VanDerWaalsContact CA-O 3.3Å; S274-V409 WeakPolarHBondContact CA-O 3.43Å; T275-V409 HydrophobicContact CG2-CB 3.95Å; T275-V409 HydrophobicContact CG2-CG2 4.37Å; T275-V409 PolarHBondContact N-O 3.2Å; T275-V409 PolarHBondContact OG1-N 2.68Å; T275-V409 VanDerWaalsContact OG1-N 3.14Å; T275-V409 PolarHBondContact OG1-O 3.02Å; M285-V409 HydrophobicContact SD-CG1 3.85Å; L297-V409 HydrophobicContact CD1-CG1 3.78Å; L298-V409 CarbonylContact O-C 3.55Å; L298-V409 WeakPolarHBondContact O-CA 3.18Å; L299-V409 HydrophobicContact CD2-CG2 4.42Å; L299-V409 HydrophobicContact CG-CG2 4.47Å; L375-V409 HydrophobicContact CD2-CG2 4.49Å; F379-V409 HydrophobicContact CZ-CG2 4.29Å; L406-V409 HydrophobicContact CD1-CG2 3.68Å; L406-V409 HydrophobicContact CD2-CG2 4.1Å; L406-V409 HydrophobicContact CG-CG2 4.43Å
410	E	97.9	Very high	90	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.2	170.6	-65.4	173.5	-171.6	0	0	110.6	V247 L248 L271 F273 L298 W412	V247-E410 WeakPolarHBondContact CA-OE1 3.35Å; L248-E410 HydrophobicContact CD1-CG 4.29Å; L248-E410 HydrophobicContact CG-CG 4.34Å; L248-E410 WeakPolarHBondContact CG-OE1 3.43Å; L248-E410 PolarHBondContact N-OE1 2.79Å; L248-E410 PolarHBondContact N-OE2 3.1Å; L271-E410 HydrophobicContact CD1-CB 4.22Å; L271-E410 HydrophobicContact CD1-CG 4.44Å; F273-E410 CarbonylContact O-C 3.45Å; F273-E410 WeakPolarHBondContact O-CA 3.34Å; L298-E410 HydrophobicContact CB-CB 4.31Å; L298-E410 PolarHBondContact N-O 2.95Å; L298-E410 PolarHBondContact O-N 2.74Å; E410-W412 PolarHBondContact OE2-NE1 3.04Å; E410-W412 VanDerWaalsContact OE2-NE1 3.1Å
411	V	97.8	Very high	87.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.1	171.8	-175.3	0	0	0	0	108.2	V272 F273 M285 L289 T295 M296 L297	V272-V411 HydrophobicContact CG2-CB 3.88Å; V272-V411 HydrophobicContact CG2-CG1 3.54Å; V272-V411 WeakPolarHBondContact CG2-O 3.17Å; V272-V411 PolarHBondContact N-O 2.81Å; F273-V411 HydrophobicContact CB-CB 3.91Å; F273-V411 HydrophobicContact CB-CG2 3.93Å; F273-V411 HydrophobicContact CD1-CG2 4.25Å; F273-V411 PolarHBondContact N-O 3.39Å; F273-V411 PolarHBondContact O-N 3.26Å; M285-V411 HydrophobicContact CG-CG2 4.15Å; L289-V411 HydrophobicContact CD2-CB 4.41Å; L289-V411 HydrophobicContact CD2-CG1 3.45Å; L289-V411 VanDerWaalsContact CD2-CG1 3.45Å; L289-V411 HydrophobicContact CD2-CG2 4.05Å; L289-V411 HydrophobicContact CG-CG1 4.34Å; L289-V411 HydrophobicContact CG-CG2 4.47Å; T295-V411 HydrophobicContact CG2-CG1 4.07Å; M296-V411 WeakPolarHBondContact O-CA 3.44Å; L297-V411 HydrophobicContact CD1-CG2 3.78Å
412	W	97.2	Very high	84.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.5	176.1	-64.1	85.3	0	0	0	109.8	W163 T240 V247 W269 R270 L271 T295 M296 E410 V414	W163-W412 HydrophobicContact CH2-CD2 4.48Å; W163-W412 HydrophobicContact CH2-CE3 4.17Å; W163-W412 AromaticContact CH2-CH2 3.87Å; W163-W412 HydrophobicContact CH2-CH2 3.87Å; W163-W412 HydrophobicContact CH2-CZ2 4.18Å; W163-W412 AromaticContact CH2-CZ3 3.86Å; W163-W412 HydrophobicContact CH2-CZ3 3.86Å; W163-W412 AromaticContact CZ3-CH2 3.7Å; W163-W412 HydrophobicContact CZ3-CH2 3.7Å; W163-W412 AromaticContact CZ3-CZ2 3.99Å; W163-W412 HydrophobicContact CZ3-CZ2 3.99Å; W163-W412 HydrophobicContact CZ3-CZ3 4.15Å; T240-W412 HydrophobicContact CG2-CH2 4.18Å; V247-W412 HydrophobicContact CB-CZ2 4.12Å; V247-W412 HydrophobicContact CG1-CH2 4.08Å; V247-W412 HydrophobicContact CG1-CZ2 3.62Å; W269-W412 HydrophobicContact CB-CE3 4.11Å; W269-W412 HydrophobicContact CE3-CB 3.91Å; W269-W412 HydrophobicContact CE3-CD2 4.18Å; W269-W412 HydrophobicContact CE3-CE3 4.37Å; W269-W412 AromaticContact CE3-CG 4Å; W269-W412 HydrophobicContact CE3-CG 4Å; W269-W412 HydrophobicContact CZ3-CB 4.37Å; W269-W412 HydrophobicContact CZ3-CG 4.39Å; R270-W412 CarbonylContact O-C 3.55Å; R270-W412 WeakPolarHBondContact O-CA 3.49Å; L271-W412 HydrophobicContact CB-CD2 4.32Å; L271-W412 HydrophobicContact CB-CE3 3.93Å; L271-W412 HydrophobicContact CB-CH2 3.88Å; L271-W412 HydrophobicContact CB-CZ2 4.27Å; L271-W412 HydrophobicContact CB-CZ3 3.69Å; L271-W412 HydrophobicContact CD1-CD2 3.95Å; L271-W412 HydrophobicContact CD1-CE3 4.41Å; L271-W412 HydrophobicContact CD1-CG 4.41Å; L271-W412 HydrophobicContact CD1-CH2 4.25Å; L271-W412 HydrophobicContact CD1-CZ2 3.76Å; L271-W412 HydrophobicContact CG-CZ2 4.49Å; T295-W412 CarbonylContact C-O 3.46Å; T295-W412 VanDerWaalsContact CA-O 3.23Å; T295-W412 WeakPolarHBondContact CA-O 3.42Å; M296-W412 HydrophobicContact CB-CB 4.23Å; M296-W412 PolarHBondContact N-O 2.79Å; M296-W412 PolarHBondContact O-N 2.88Å; E410-W412 PolarHBondContact OE2-NE1 3.04Å; E410-W412 VanDerWaalsContact OE2-NE1 3.1Å; W412-V414 HydrophobicContact CB-CG1 4.43Å
413	A	95.5	Very high	81.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.1	167.2	0	0	0	0	0	108.9	W269 R270 V272 H292	W269-A413 WeakPolarHBondContact CA-O 3.36Å; R270-A413 PolarHBondContact N-O 3.1Å; R270-A413 PolarHBondContact O-N 2.98Å; V272-A413 HydrophobicContact CG1-CB 3.66Å; H292-A413 HydrophobicContact CB-CB 4Å
414	V	94.3	Very high	79.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.352	C	S	.	.			trans	-119	1.3	-178.5	-53.5	0	0	0	0	112.2	L261 W269 P294 M296 F310 W412	L261-V414 HydrophobicContact CD1-CB 3.95Å; L261-V414 HydrophobicContact CD1-CG1 4.25Å; L261-V414 HydrophobicContact CD1-CG2 4.02Å; L261-V414 HydrophobicContact CD2-CG2 4.35Å; W269-V414 HydrophobicContact CD2-CG1 3.59Å; W269-V414 VanDerWaalsContact CE2-CG1 3.49Å; W269-V414 HydrophobicContact CE3-CG1 4.11Å; W269-V414 HydrophobicContact CG-CG1 3.86Å; W269-V414 HydrophobicContact CH2-CG1 4.48Å; W269-V414 HydrophobicContact CZ2-CG1 4Å; P294-V414 HydrophobicContact CB-CG2 4.16Å; P294-V414 HydrophobicContact CG-CG2 4.18Å; P294-V414 PolarHBondContact O-N 3.16Å; M296-V414 HydrophobicContact CB-CG1 4.32Å; M296-V414 HydrophobicContact CG-CG1 3.76Å; M296-V414 HydrophobicContact CG-CG2 4.41Å; F310-V414 HydrophobicContact CD2-CG2 4.31Å; F310-V414 HydrophobicContact CE2-CG2 3.7Å; W412-V414 HydrophobicContact CB-CG1 4.43Å
415	G	88.2	Confident	76.2	Confident	4 Å²	4	70 Å²	70	4%	0.041	39%	0.39	C	S	.	.	S	Bend	trans	-87.5	163.5	170.6	0	0	0	0	0	113.3	A267 P294	A267-G415 VanDerWaalsContact CB-O 3.28Å; A267-G415 WeakPolarHBondContact CB-O 3.46Å; P294-G415 PolarHBondContact O-N 2.88Å
416	K	83.3	Confident	73.2	Confident	162 Å²	162	73 Å²	73	70%	0.704	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.8	165.7	-68.2	-178.3	-178.3	178	0	108.1	A267	A267-K416 HydrophobicContact CB-CG 4.32Å
417	P	73.3	Confident	70.3	Confident	73 Å²	73	80.1 Å²	80.1	47%	0.474	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-51.3	142.6	170	-20	29.9	0	0	0	109	A419	P417-A419 PolarHBondContact O-N 2.89Å
418	P	67.1	Low	67.4	Low	84 Å²	84	84.4 Å²	84.4	55%	0.545	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-51.3	139.9	165.4	22.9	-30.3	0	0	0	107.4
419	A	63.8	Low	64.6	Low	83 Å²	83	87.3 Å²	87.3	69%	0.686	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-49.9	139.5	167.9	0	0	0	0	0	106.6	P417 A421	P417-A419 PolarHBondContact O-N 2.89Å; A419-A421 PolarHBondContact O-N 2.82Å; A419-A421 VanDerWaalsContact O-N 3.09Å
420	P	56.8	Low	61.9	Low	117 Å²	117	95.6 Å²	95.6	76%	0.76	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-46.7	131.2	164.3	22.8	-30.2	0	0	0	105.1	E422	P420-E422 VanDerWaalsContact C-N 3.32Å; P420-E422 PolarHBondContact O-N 2.68Å
421	A	48.4	Very low	59.1	Low	80 Å²	80	103.7 Å²	103.7	66%	0.661	55%	0.55	S	S	*	*			trans	-46.6	115.1	168.6	0	0	0	0	0	103.9	A419 D423	A419-A421 PolarHBondContact O-N 2.82Å; A419-A421 VanDerWaalsContact O-N 3.09Å; A421-D423 VanDerWaalsContact C-N 3.28Å; A421-D423 PolarHBondContact O-N 3.14Å
422	E	38.4	Very low	56.4	Low	187 Å²	187	106.7 Å²	106.7	87%	0.874	57%	0.572	S	S	*	*			trans	-43.2	117.7	151.2	-69.6	175.6	-178.9	0	0	101.8	P420 E424	P420-E422 VanDerWaalsContact C-N 3.32Å; P420-E422 PolarHBondContact O-N 2.68Å; E422-E424 PolarHBondContact O-N 3.17Å
423	D	36	Very low	53.9	Low	135 Å²	135	113 Å²	113	72%	0.722	60%	0.604	S	S	*	*			trans	-36	138.3	-165.5	-61.4	-67.7	0	0	0	107.6	A421 E425	A421-D423 VanDerWaalsContact C-N 3.28Å; A421-D423 PolarHBondContact O-N 3.14Å; D423-E425 PolarHBondContact O-N 2.92Å
424	E	38.7	Very low	51.5	Low	183 Å²	183	115.7 Å²	115.7	86%	0.855	62%	0.618	S	S	*	*			trans	-46	100.6	145.3	-72.1	-179.7	171.4	0	0	102.5	E422 E426	E422-E424 PolarHBondContact O-N 3.17Å; E424-E426 PolarHBondContact O-N 3.04Å
425	E	37.3	Very low	49.4	Very low	184 Å²	184	121.2 Å²	121.2	86%	0.86	65%	0.652	S	S	*	*			trans	-54.2	106.1	-178.6	-84.8	-177.1	167.5	0	0	99.6	D423 E427	D423-E425 PolarHBondContact O-N 2.92Å; E425-E427 PolarHBondContact O-N 2.86Å
426	E	34.6	Very low	47.6	Very low	138 Å²	138	126 Å²	126	65%	0.645	68%	0.68	S	S	*	*			trans	-44.6	135.9	161.4	-70.6	-176.2	147	0	0	102.3	E424 E428	E424-E426 PolarHBondContact O-N 3.04Å; E426-E428 HydrophobicContact CB-CB 4.33Å; E426-E428 HydrophobicContact CB-CG 3.96Å; E426-E428 PolarHBondContact O-N 3.46Å
427	E	34.5	Very low	45.9	Very low	167 Å²	167	121.2 Å²	121.2	78%	0.78	66%	0.662	S	S	*	*	S	Bend	trans	-59.5	42	162.1	-70.7	-171.9	138.9	0	0	111	E425 G429 K430	E425-E427 PolarHBondContact O-N 2.86Å; E427-G429 PolarHBondContact O-N 2.96Å; E427-K430 PolarHBondContact O-N 2.83Å
428	E	37.9	Very low	45.3	Very low	171 Å²	171	122.4 Å²	122.4	80%	0.799	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	17.7	149.5	-67.9	-154.6	144.2	0	0	111.5	E426	E426-E428 HydrophobicContact CB-CB 4.33Å; E426-E428 HydrophobicContact CB-CG 3.96Å; E426-E428 PolarHBondContact O-N 3.46Å
429	G	37.9	Very low	44.9	Very low	62 Å²	62	125 Å²	125	64%	0.639	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	16.8	152.2	0	0	0	0	0	114.5	E427 K431	E427-G429 PolarHBondContact O-N 2.96Å; G429-K431 PolarHBondContact O-N 3.33Å
430	K	40.7	Very low	44.6	Very low	174 Å²	174	123.1 Å²	123.1	76%	0.757	65%	0.654	S	S	*	*			trans	-68.4	76.5	157.4	-81.4	-179.2	-174.5	162	0	108.5	E427 S432	E427-K430 PolarHBondContact O-N 2.83Å; K430-S432 PolarHBondContact O-N 2.8Å
431	K	38.6	Very low	44.7	Very low	170 Å²	170	122.2 Å²	122.2	74%	0.739	64%	0.64	S	S	*	*			trans	-43.5	112.6	154.4	-76.6	-178.6	179.9	176.4	0	105.6	G429 I433 V436	G429-K431 PolarHBondContact O-N 3.33Å; K431-I433 PolarHBondContact O-N 2.92Å; K431-I433 VanDerWaalsContact O-N 3.16Å; K431-V436 HydrophobicContact CB-CG2 4.31Å
432	S	43	Very low	45.2	Very low	64 Å²	64	120.7 Å²	120.7	45%	0.448	63%	0.627	S	S	.	*			trans	-42.6	127.2	177.1	-179.8	0	0	0	0	108.2	K430 L434 T435	K430-S432 PolarHBondContact O-N 2.8Å; S432-L434 PolarHBondContact O-N 3.15Å; S432-T435 PolarHBondContact O-N 2.84Å; S432-T435 PolarHBondContact O-OG1 3.38Å; S432-T435 VanDerWaalsContact O-OG1 3.11Å
433	I	43.3	Very low	46.2	Very low	135 Å²	135	117.7 Å²	117.7	69%	0.692	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-52.9	-19.1	178.9	-79.4	167	0	0	0	111.5	K431 T435	K431-I433 PolarHBondContact O-N 2.92Å; K431-I433 VanDerWaalsContact O-N 3.16Å; I433-T435 VanDerWaalsContact C-N 3.32Å; I433-T435 PolarHBondContact O-N 3.36Å
434	L	46	Very low	47.2	Very low	56 Å²	56	116 Å²	116	29%	0.293	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-67.7	-22.1	174.7	-71.6	161.7	0	0	0	114.6	S432 M444 L451	S432-L434 PolarHBondContact O-N 3.15Å; L434-M444 HydrophobicContact CD2-SD 3.7Å; L434-L451 HydrophobicContact CD1-CD2 4.35Å
435	T	49.4	Very low	48.4	Very low	117 Å²	117	114.2 Å²	114.2	72%	0.718	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-96.3	-8.4	-178.9	-4.9	0	0	0	0	113.8	S432 I433	S432-T435 PolarHBondContact O-N 2.84Å; S432-T435 PolarHBondContact O-OG1 3.38Å; S432-T435 VanDerWaalsContact O-OG1 3.11Å; I433-T435 VanDerWaalsContact C-N 3.32Å; I433-T435 PolarHBondContact O-N 3.36Å
436	V	49.8	Very low	49.2	Very low	103 Å²	103	112.7 Å²	112.7	62%	0.624	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-20.5	-172.2	-175.6	0	0	0	0	112.9	K431	K431-V436 HydrophobicContact CB-CG2 4.31Å
437	N	49.3	Very low	50.6	Low	62 Å²	62	110.8 Å²	110.8	33%	0.332	59%	0.59	S	S	.	*			trans	-135.8	104.2	-178.8	-163.1	-17	0	0	0	113.4	E439 V440 Q441	N437-E439 PolarHBondContact O-N 2.88Å; N437-E439 VanDerWaalsContact O-N 3.13Å; N437-E439 WeakPolarHBondContact OD1-CB 3.04Å; N437-E439 PolarHBondContact OD1-N 2.64Å; N437-E439 VanDerWaalsContact OD1-N 3.08Å; N437-V440 HydrophobicContact CB-CB 4.4Å; N437-V440 HydrophobicContact CB-CG2 3.92Å; N437-V440 PolarHBondContact O-N 3.26Å; N437-Q441 PolarHBondContact O-N 3.41Å
438	P	60.8	Low	51.1	Low	98 Å²	98	106.1 Å²	106.1	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-62.9	-17.8	178.9	23.8	-31.3	0	0	0	113.6	A442	P438-A442 PolarHBondContact O-N 3.19Å
439	E	57.8	Low	51.8	Low	140 Å²	140	106.4 Å²	106.4	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-73	-31.9	174.4	-61.7	178.8	158.3	0	0	112.2	N437 M443	N437-E439 PolarHBondContact O-N 2.88Å; N437-E439 VanDerWaalsContact O-N 3.13Å; N437-E439 WeakPolarHBondContact OD1-CB 3.04Å; N437-E439 PolarHBondContact OD1-N 2.64Å; N437-E439 VanDerWaalsContact OD1-N 3.08Å; E439-M443 WeakPolarHBondContact O-CB 3.5Å; E439-M443 PolarHBondContact O-N 2.68Å; E439-M443 VanDerWaalsContact O-N 3.07Å
440	V	58.3	Low	52.3	Low	42 Å²	42	109.5 Å²	109.5	26%	0.255	59%	0.592	S	S	.	*	H	α-helix	trans	-74.6	-36.3	178.6	178	0	0	0	0	110.7	N437 M443 M444	N437-V440 HydrophobicContact CB-CB 4.4Å; N437-V440 HydrophobicContact CB-CG2 3.92Å; N437-V440 PolarHBondContact O-N 3.26Å; V440-M443 PolarHBondContact O-N 3.16Å; V440-M444 WeakPolarHBondContact O-CG 3.28Å; V440-M444 PolarHBondContact O-N 2.83Å
441	Q	57.1	Low	52.7	Low	99 Å²	99	108.2 Å²	108.2	46%	0.463	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-45.3	174.2	-167.3	173.7	0.7	0	0	111.3	N437 M443 M444 E445	N437-Q441 PolarHBondContact O-N 3.41Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.14Å; Q441-M444 PolarHBondContact O-N 2.89Å; Q441-E445 PolarHBondContact O-N 2.94Å; Q441-E445 VanDerWaalsContact O-N 3.1Å
442	A	59.3	Low	53.2	Low	47 Å²	47	109.1 Å²	109.1	39%	0.388	60%	0.599	S	S	.	*	H	α-helix	trans	-63.2	-35.3	175.3	0	0	0	0	0	112.8	P438 L446	P438-A442 PolarHBondContact O-N 3.19Å; A442-L446 WeakPolarHBondContact O-CD1 3.29Å; A442-L446 WeakPolarHBondContact O-CG 3.44Å; A442-L446 PolarHBondContact O-N 3.39Å
443	M	59	Low	53.5	Low	125 Å²	125	111.2 Å²	111.2	62%	0.616	61%	0.614	S	S	*	*	H	α-helix	trans	-72	-31	177.4	-150.7	-172.6	-52.6	0	0	112.7	E439 V440 Q441 T447	E439-M443 WeakPolarHBondContact O-CB 3.5Å; E439-M443 PolarHBondContact O-N 2.68Å; E439-M443 VanDerWaalsContact O-N 3.07Å; V440-M443 PolarHBondContact O-N 3.16Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.14Å; M443-T447 PolarHBondContact O-OG1 2.76Å
444	M	58.7	Low	53.5	Low	99 Å²	99	114.7 Å²	114.7	49%	0.488	63%	0.627	S	S	.	*	H	α-helix	trans	-76.4	-34.9	176.6	-79.7	-172.7	161.9	0	0	113	L434 V440 Q441 L446 T447	L434-M444 HydrophobicContact CD2-SD 3.7Å; V440-M444 WeakPolarHBondContact O-CG 3.28Å; V440-M444 PolarHBondContact O-N 2.83Å; Q441-M444 PolarHBondContact O-N 2.89Å; M444-L446 VanDerWaalsContact C-N 3.35Å; M444-T447 PolarHBondContact O-N 3.36Å; M444-T447 PolarHBondContact O-OG1 3.06Å
445	E	62.1	Low	53.2	Low	145 Å²	145	114.9 Å²	114.9	68%	0.678	64%	0.643	S	S	*	*	H	α-helix	trans	-66	-36.8	172.7	-74.5	178.7	177.5	0	0	112.2	Q441 T447 G448	Q441-E445 PolarHBondContact O-N 2.94Å; Q441-E445 VanDerWaalsContact O-N 3.1Å; E445-T447 PolarHBondContact O-N 2.97Å; E445-G448 PolarHBondContact O-N 3.2Å
446	L	54.7	Low	52.6	Low	153 Å²	153	119 Å²	119	80%	0.801	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-16.8	175.1	-75	166.3	0	0	0	113.9	A442 M444	A442-L446 WeakPolarHBondContact O-CD1 3.29Å; A442-L446 WeakPolarHBondContact O-CG 3.44Å; A442-L446 PolarHBondContact O-N 3.39Å; M444-L446 VanDerWaalsContact C-N 3.35Å
447	T	64	Low	52.1	Low	97 Å²	97	120 Å²	120	60%	0.595	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	3.8	179.5	54	0	0	0	0	114.3	M443 M444 E445	M443-T447 PolarHBondContact O-OG1 2.76Å; M444-T447 PolarHBondContact O-N 3.36Å; M444-T447 PolarHBondContact O-OG1 3.06Å; E445-T447 PolarHBondContact O-N 2.97Å
448	G	45	Very low	51.6	Low	69 Å²	69	125.7 Å²	125.7	71%	0.711	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.7	29.1	165.3	0	0	0	0	0	116.3	E445	E445-G448 PolarHBondContact O-N 3.2Å
449	K	52.4	Low	50.7	Low	178 Å²	178	129.6 Å²	129.6	77%	0.774	70%	0.702	S	S	*	*			trans	-107.5	127.4	176	-67.6	-176.5	178.9	178.2	0	111.5
450	T	48.1	Very low	49.7	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	71%	0.714	S	S	*	*			trans	-89.3	140.6	179.7	49.6	0	0	0	0	112.6
451	L	48.9	Very low	48.9	Very low	146 Å²	146	139.1 Å²	139.1	76%	0.764	74%	0.744	S	S	*	*			trans	-87.7	125.2	177.9	-72.5	162.1	0	0	0	111.1	L434	L434-L451 HydrophobicContact CD1-CD2 4.35Å
452	H	49.3	Very low	48	Very low	190 Å²	190	141.5 Å²	141.5	88%	0.88	76%	0.76	S	S	*	*			trans	-102	88.4	170.2	-82.9	-68.9	0	0	0	109.3
453	S	50.5	Low	46.8	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	79%	0.785	S	S	*	*			trans	-178.9	76.9	154.2	-174.9	0	0	0	0	110.5
454	E	43.2	Very low	45.9	Very low	207 Å²	207	155 Å²	155	97%	0.967	82%	0.818	S	S	*	*			trans	-114.7	26.8	168.1	-90.8	-169.9	160	0	0	111.7
455	G	39	Very low	45.2	Very low	60 Å²	60	157.8 Å²	157.8	62%	0.619	84%	0.835	S	S	*	*			trans	-109.2	-1.3	-163.4	0	0	0	0	0	119
456	F	37.3	Very low	44.3	Very low	203 Å²	203	158.5 Å²	158.5	89%	0.89	84%	0.843	S	S	*	*	S	Bend	trans	-141	41.9	-166.9	-85	-81.1	0	0	0	115.2
457	S	39	Very low	43.8	Very low	125 Å²	125	158.8 Å²	158.8	87%	0.874	85%	0.845	S	S	*	*	S	Bend	trans	-130.4	19.3	171.2	-62.7	0	0	0	0	115.2
458	E	40.1	Very low	42.6	Very low	182 Å²	182	162.4 Å²	162.4	85%	0.85	86%	0.86	S	S	*	*	S	Bend	trans	-124.3	59.7	176.5	-70.4	-171.5	164.1	0	0	112
459	L	40	Very low	42.4	Very low	180 Å²	180	168.3 Å²	168.3	94%	0.942	87%	0.869	S	S	*	*	S	Bend	trans	-152.3	27.8	165.4	-82.4	-171.2	0	0	0	114.4
460	Q	38.1	Very low	41.8	Very low	195 Å²	195	167.6 Å²	167.6	91%	0.911	88%	0.875	S	S	*	*			trans	-137.7	36.7	178	-148.4	167.5	4.4	0	0	114.2
461	E	41.5	Very low	41.3	Very low	186 Å²	186	170.5 Å²	170.5	87%	0.869	88%	0.882	S	S	*	*	S	Bend	trans	-128.7	93	157.5	-76.1	-172.1	170.7	0	0	106.8
462	D	38	Very low	40.7	Very low	149 Å²	149	172.4 Å²	172.4	80%	0.797	89%	0.891	S	S	*	*			trans	161.3	105.5	151.3	-85.3	-19.4	0	0	0	107
463	F	34.6	Very low	40	Very low	213 Å²	213	170.9 Å²	170.9	93%	0.934	89%	0.892	S	S	*	*			trans	179.7	100.9	139.1	-85.3	-60.4	0	0	0	108.6
464	D	38.7	Very low	39	Very low	243 Å²	243	176.6 Å²	176.6	100%	1.299	91%	0.905	S	S	*	*			trans	-62.2	0	149.9	-86.7	-33.4	0	0	0	111.2

Retrieved 464 of 464 residues in 455.5 ms (Link to these results)

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