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Tubulin beta chain

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

AlphaFold DB (A0A2I2YA15), UniProt , Accession A0A096NWL5, Species PAPAN (Papio anubis, Olive baboon), Gene TUBB3, Length 378 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	78.2	Confident	87.4	Confident	94 Å²	94	91 Å²	91	46%	0.463	52%	0.523	S	S	.	.				0	-42.2	0	-71.3	-51.7	-156.8	0	0	112.8	S3 V4 R5 F18 I19 F20	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.19Å; M1-V4 WeakPolarHBondContact O-CB 3.25Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-R5 PolarHBondContact O-N 3.31Å; M1-R5 VanDerWaalsContact O-N 3.1Å; M1-F18 HydrophobicContact CE-CD1 3.97Å; M1-F18 HydrophobicContact SD-CD1 3.75Å; M1-F18 HydrophobicContact SD-CE1 4.29Å; M1-I19 WeakPolarHBondContact CE-O 3.49Å; M1-F20 HydrophobicContact CE-CB 4.1Å; M1-F20 HydrophobicContact CG-CB 3.94Å; M1-F20 HydrophobicContact CG-CD1 4.07Å; M1-F20 HydrophobicContact CG-CG 4.09Å
2	D	84.8	Confident	87.9	Confident	123 Å²	123	93.7 Å²	93.7	66%	0.658	53%	0.533	S	S	*	.	H	α-helix	trans	-59.3	-37.7	-176.6	-58.4	-28.2	0	0	0	113.6	V4 R5 S6	D2-V4 PolarHBondContact O-N 2.96Å; D2-R5 PolarHBondContact O-N 3.41Å; D2-S6 WeakPolarHBondContact O-CB 3.26Å; D2-S6 PolarHBondContact O-N 3.32Å; D2-S6 PolarHBondContact O-OG 2.95Å; D2-S6 VanDerWaalsContact O-OG 3.09Å
3	S	87.6	Confident	88.2	Confident	103 Å²	103	95.4 Å²	95.4	72%	0.72	53%	0.531	S	S	*	.	H	α-helix	trans	-60.1	-31.9	174.3	-44.6	0	0	0	0	113.7	M1 S6 G7	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.19Å; S3-S6 WeakPolarHBondContact CA-OG 2.82Å; S3-S6 PolarHBondContact O-OG 3.34Å; S3-G7 PolarHBondContact O-N 3.24Å
4	V	88.3	Confident	88.4	Confident	71 Å²	71	96 Å²	96	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-75.8	-45	176.1	178.6	0	0	0	0	109.7	M1 D2 S6 G7 G10 F13 F18	M1-V4 WeakPolarHBondContact O-CB 3.25Å; M1-V4 PolarHBondContact O-N 3.41Å; D2-V4 PolarHBondContact O-N 2.96Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.4Å; V4-G7 PolarHBondContact O-N 3.4Å; V4-G7 VanDerWaalsContact O-N 3.08Å; V4-G10 WeakPolarHBondContact O-CA 3.44Å; V4-F13 HydrophobicContact CG1-CD2 4.43Å; V4-F13 HydrophobicContact CG1-CE2 4.3Å; V4-F18 HydrophobicContact CG1-CE1 4.11Å; V4-F18 HydrophobicContact CG1-CZ 4.45Å
5	R	87.1	Confident	88.5	Confident	98 Å²	98	95.7 Å²	95.7	37%	0.37	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-36.9	177.8	-61.7	-174	-151.8	-98.5	3.5	112.2	M1 D2 G7 F18	M1-R5 PolarHBondContact O-N 3.31Å; M1-R5 VanDerWaalsContact O-N 3.1Å; D2-R5 PolarHBondContact O-N 3.41Å; R5-G7 VanDerWaalsContact C-N 3.28Å; R5-F18 HydrophobicContact CG-CE1 4.36Å; R5-F18 HydrophobicContact CG-CZ 4.33Å
6	S	90.1	Very high	88.7	Confident	98 Å²	98	95.6 Å²	95.6	69%	0.685	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.6	176.2	67.6	0	0	0	0	113.7	D2 S3 V4	D2-S6 WeakPolarHBondContact O-CB 3.26Å; D2-S6 PolarHBondContact O-N 3.32Å; D2-S6 PolarHBondContact O-OG 2.95Å; D2-S6 VanDerWaalsContact O-OG 3.09Å; S3-S6 WeakPolarHBondContact CA-OG 2.82Å; S3-S6 PolarHBondContact O-OG 3.34Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.4Å
7	G	89.6	Confident	88.9	Confident	33 Å²	33	93.8 Å²	93.8	34%	0.34	51%	0.514	S	S	.	.	S	Bend	trans	-65.2	162.4	177.4	0	0	0	0	0	112	S3 V4 R5 F9 G10	S3-G7 PolarHBondContact O-N 3.24Å; V4-G7 PolarHBondContact O-N 3.4Å; V4-G7 VanDerWaalsContact O-N 3.08Å; R5-G7 VanDerWaalsContact C-N 3.28Å; G7-F9 PolarHBondContact O-N 3.48Å; G7-G10 PolarHBondContact O-N 3.12Å
8	A	89.3	Confident	89.1	Confident	86 Å²	86	90.2 Å²	90.2	71%	0.711	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.9	-176.2	0	0	0	0	0	114	H11	A8-H11 PolarHBondContact O-CE1 3.06Å
9	F	90.8	Very high	89.2	Confident	141 Å²	141	87.7 Å²	87.7	62%	0.618	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	15.4	-179.8	-63.9	-69.5	0	0	0	113.4	G7 H11 L12	G7-F9 PolarHBondContact O-N 3.48Å; F9-H11 PolarHBondContact O-N 3.04Å; F9-H11 VanDerWaalsContact O-N 3.13Å; F9-L12 HydrophobicContact CB-CD1 4.06Å; F9-L12 HydrophobicContact CD1-CD1 3.76Å; F9-L12 HydrophobicContact CG-CD1 4.29Å; F9-L12 WeakPolarHBondContact O-CB 3.47Å; F9-L12 PolarHBondContact O-N 3.04Å; F9-L12 VanDerWaalsContact O-N 3.07Å
10	G	86	Confident	89.3	Confident	7 Å²	7	89.5 Å²	89.5	7%	0.072	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26.5	-175.5	0	0	0	0	0	114.4	V4 G7 L12	V4-G10 WeakPolarHBondContact O-CA 3.44Å; G7-G10 PolarHBondContact O-N 3.12Å; G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.21Å
11	H	89.8	Confident	89.2	Confident	147 Å²	147	87 Å²	87	68%	0.681	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-77.2	-11.8	179.1	63.7	-85.7	0	0	0	114.3	A8 F9 F13	A8-H11 PolarHBondContact O-CE1 3.06Å; F9-H11 PolarHBondContact O-N 3.04Å; F9-H11 VanDerWaalsContact O-N 3.13Å; H11-F13 VanDerWaalsContact C-N 3.35Å
12	L	92.9	Very high	89.5	Confident	123 Å²	123	92.7 Å²	92.7	64%	0.644	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-77	-24.1	177.3	-68.5	-179.8	0	0	0	112.6	F9 G10	F9-L12 HydrophobicContact CB-CD1 4.06Å; F9-L12 HydrophobicContact CD1-CD1 3.76Å; F9-L12 HydrophobicContact CG-CD1 4.29Å; F9-L12 WeakPolarHBondContact O-CB 3.47Å; F9-L12 PolarHBondContact O-N 3.04Å; F9-L12 VanDerWaalsContact O-N 3.07Å; G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.21Å
13	F	92.4	Very high	89.6	Confident	116 Å²	116	89.7 Å²	89.7	51%	0.509	49%	0.491	S	S	.	.	S	Bend	trans	-77.6	133.2	-178.1	-64.1	-75.7	0	0	0	110.8	V4 H11 P15 F18	V4-F13 HydrophobicContact CG1-CD2 4.43Å; V4-F13 HydrophobicContact CG1-CE2 4.3Å; H11-F13 VanDerWaalsContact C-N 3.35Å; F13-P15 WeakPolarHBondContact O-CD 3.5Å; F13-F18 HydrophobicContact CB-CE2 3.4Å; F13-F18 HydrophobicContact CB-CZ 3.46Å; F13-F18 VanDerWaalsContact CB-CZ 3.46Å; F13-F18 HydrophobicContact CD2-CZ 4.27Å; F13-F18 HydrophobicContact CG-CE2 4.44Å; F13-F18 HydrophobicContact CG-CZ 4.05Å
14	R	91.1	Very high	89.6	Confident	104 Å²	104	87.3 Å²	87.3	39%	0.392	48%	0.483	S	S	.	.			trans	-61.1	125.1	175.3	-173.5	176.8	179.4	161.2	6.5	109.6	D16 N17 F18	R14-D16 HydrophobicContact CG-CB 4.11Å; R14-D16 IonicContact CZ-OD2 3.36Å; R14-D16 IonicContact NE-OD2 2.85Å; R14-D16 PolarHBondContact NE-OD2 3.21Å; R14-D16 IonicContact NH2-OD2 3.03Å; R14-D16 PolarHBondContact NH2-OD2 3.45Å; R14-D16 PolarHBondContact O-N 3.34Å; R14-N17 HydrophobicContact CB-CB 4.4Å; R14-N17 WeakPolarHBondContact CD-OD1 3.43Å; R14-N17 PolarHBondContact O-N 2.81Å; R14-F18 WeakPolarHBondContact O-CD2 3.45Å
15	P	90.1	Very high	89.6	Confident	92 Å²	92	84.2 Å²	84.2	60%	0.597	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-55.1	-36.6	-180	-29.3	36.8	0	0	0	113.7	F13 N17 F18	F13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-N17 PolarHBondContact O-N 3.27Å; P15-F18 PolarHBondContact O-N 3.21Å
16	D	90.8	Very high	89.7	Confident	94 Å²	94	82.6 Å²	82.6	50%	0.503	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-62.3	-24.4	178.5	-53.4	-19.6	0	0	0	113	R14 F18	R14-D16 HydrophobicContact CG-CB 4.11Å; R14-D16 IonicContact CZ-OD2 3.36Å; R14-D16 IonicContact NE-OD2 2.85Å; R14-D16 PolarHBondContact NE-OD2 3.21Å; R14-D16 IonicContact NH2-OD2 3.03Å; R14-D16 PolarHBondContact NH2-OD2 3.45Å; R14-D16 PolarHBondContact O-N 3.34Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 3.24Å
17	N	92.6	Very high	89.8	Confident	65 Å²	65	81.2 Å²	81.2	35%	0.348	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-88.6	1.2	-177.1	-61.5	15.9	0	0	0	111.6	R14 P15 I19 V47 E51	R14-N17 HydrophobicContact CB-CB 4.4Å; R14-N17 WeakPolarHBondContact CD-OD1 3.43Å; R14-N17 PolarHBondContact O-N 2.81Å; P15-N17 PolarHBondContact O-N 3.27Å; N17-I19 PolarHBondContact O-N 2.83Å; N17-V47 HydrophobicContact CB-CG1 4.3Å; N17-E51 PolarHBondContact ND2-OE1 3.36Å
18	F	91.8	Very high	90	Very high	29 Å²	29	80 Å²	80	13%	0.127	45%	0.449	C	S	.	.			trans	-89.3	97.1	173.1	-73.3	-88.3	0	0	0	110.8	M1 V4 R5 F13 R14 P15 D16	M1-F18 HydrophobicContact CE-CD1 3.97Å; M1-F18 HydrophobicContact SD-CD1 3.75Å; M1-F18 HydrophobicContact SD-CE1 4.29Å; V4-F18 HydrophobicContact CG1-CE1 4.11Å; V4-F18 HydrophobicContact CG1-CZ 4.45Å; R5-F18 HydrophobicContact CG-CE1 4.36Å; R5-F18 HydrophobicContact CG-CZ 4.33Å; F13-F18 HydrophobicContact CB-CE2 3.4Å; F13-F18 HydrophobicContact CB-CZ 3.46Å; F13-F18 VanDerWaalsContact CB-CZ 3.46Å; F13-F18 HydrophobicContact CD2-CZ 4.27Å; F13-F18 HydrophobicContact CG-CE2 4.44Å; F13-F18 HydrophobicContact CG-CZ 4.05Å; R14-F18 WeakPolarHBondContact O-CD2 3.45Å; P15-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 3.24Å
19	I	92.1	Very high	90.3	Very high	42 Å²	42	76.1 Å²	76.1	22%	0.215	42%	0.416	C	S	.	.			trans	-102.4	129	174	-58.6	166.6	0	0	0	108.7	M1 N17 L40 S43 V44 V47	M1-I19 WeakPolarHBondContact CE-O 3.49Å; N17-I19 PolarHBondContact O-N 2.83Å; I19-L40 HydrophobicContact CG2-CD1 3.58Å; I19-L40 HydrophobicContact CG2-CD2 4.25Å; I19-L40 HydrophobicContact CG2-CG 3.89Å; I19-S43 VanDerWaalsContact CD1-O 3.22Å; I19-S43 WeakPolarHBondContact CD1-O 3.46Å; I19-V44 HydrophobicContact CB-CG2 4.2Å; I19-V44 VanDerWaalsContact CD1-CA 3.43Å; I19-V44 HydrophobicContact CD1-CB 4.17Å; I19-V44 HydrophobicContact CD1-CG2 3.88Å; I19-V44 HydrophobicContact CG2-CG2 3.82Å; I19-V47 HydrophobicContact CD1-CB 3.94Å; I19-V47 HydrophobicContact CD1-CG2 3.67Å; I19-V47 HydrophobicContact CG1-CG2 4.42Å
20	F	91	Very high	90.5	Very high	123 Å²	123	69.4 Å²	69.4	54%	0.539	39%	0.386	S	S	.	.			trans	-150.2	139	179.9	59	-83.9	0	0	0	110.6	M1	M1-F20 HydrophobicContact CE-CB 4.1Å; M1-F20 HydrophobicContact CG-CB 3.94Å; M1-F20 HydrophobicContact CG-CD1 4.07Å; M1-F20 HydrophobicContact CG-CG 4.09Å
21	G	87.6	Confident	90.9	Very high	37 Å²	37	72.2 Å²	72.2	38%	0.381	40%	0.397	S	S	.	.			trans	-79.6	166.3	169.3	0	0	0	0	0	112
22	Q	84.8	Confident	91.1	Very high	214 Å²	214	65.3 Å²	65.3	100%	1	37%	0.365	S	S	*	.	S	Bend	trans	-83.4	-26.1	171.5	-63.2	-173.4	1.9	0	0	112.1
23	S	86.8	Confident	91.2	Very high	61 Å²	61	60.3 Å²	60.3	43%	0.427	34%	0.338	S	S	.	.	S	Bend	trans	-100.7	153	179.2	-168.2	0	0	0	0	110.5	E36	S23-E36 VanDerWaalsContact CB-CD 3.41Å; S23-E36 WeakPolarHBondContact CB-OE1 3.26Å; S23-E36 VanDerWaalsContact CB-OE2 3.26Å; S23-E36 WeakPolarHBondContact CB-OE2 3.43Å; S23-E36 PolarHBondContact OG-OE1 2.7Å
24	G	87	Confident	91.2	Very high	53 Å²	53	59.3 Å²	59.3	55%	0.546	33%	0.332	S	S	.	.			trans	-110.8	149.5	174.9	0	0	0	0	0	110.6	G26	G24-G26 PolarHBondContact O-N 3.48Å; G24-G26 VanDerWaalsContact O-N 3.15Å
25	A	88.3	Confident	91.2	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	33%	0.325	C	S	.	.			trans	-69.3	-10.8	-179.6	0	0	0	0	0	114	N27 N28 K31 T71	A25-N27 PolarHBondContact O-N 3.19Å; A25-N28 WeakPolarHBondContact O-CB 2.8Å; A25-N28 PolarHBondContact O-N 3.09Å; A25-K31 HydrophobicContact CB-CB 4.27Å; A25-T71 WeakPolarHBondContact CB-OG1 3.38Å
26	G	89.4	Confident	91.3	Very high	64 Å²	64	55.4 Å²	55.4	66%	0.66	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	39	172.6	0	0	0	0	0	115	G24 N28	G24-G26 PolarHBondContact O-N 3.48Å; G24-G26 VanDerWaalsContact O-N 3.15Å; G26-N28 PolarHBondContact O-N 3.11Å
27	N	91.6	Very high	91.3	Very high	70 Å²	70	51.1 Å²	51.1	37%	0.374	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	26.4	-174.2	-63.2	-26.1	0	0	0	114.7	A25 T106 V108 N112	A25-N27 PolarHBondContact O-N 3.19Å; N27-T106 HydrophobicContact CB-CG2 4.02Å; N27-T106 PolarHBondContact ND2-OG1 3Å; N27-V108 HydrophobicContact CB-CG2 4.25Å; N27-V108 WeakPolarHBondContact O-CG2 3.37Å; N27-N112 PolarHBondContact O-ND2 2.9Å
28	N	93.8	Very high	91.2	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	29%	0.288	C	S	.	.			trans	-111.5	115.7	175.3	-175.3	-22.8	0	0	0	109.9	A25 G26 A30 K31 G32 G70 W325 Y326	A25-N28 WeakPolarHBondContact O-CB 2.8Å; A25-N28 PolarHBondContact O-N 3.09Å; G26-N28 PolarHBondContact O-N 3.11Å; N28-A30 WeakPolarHBondContact OD1-CB 3.24Å; N28-A30 PolarHBondContact OD1-N 3.05Å; N28-K31 HydrophobicContact CB-CB 4.14Å; N28-K31 HydrophobicContact CB-CD 4.28Å; N28-K31 HydrophobicContact CB-CG 4.06Å; N28-K31 PolarHBondContact O-N 3.48Å; N28-K31 PolarHBondContact OD1-N 3.03Å; N28-G32 PolarHBondContact O-N 3.3Å; N28-G70 WeakPolarHBondContact O-CA 3.35Å; N28-W325 PolarHBondContact ND2-O 3.28Å; N28-Y326 WeakPolarHBondContact OD1-CD1 3.37Å
29	W	95.9	Very high	91.2	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-43	176.9	-176.6	98	0	0	0	112.5	K31 G32 H33 Y34 G74 N112 L115 S116 Q119 Y326 M331	W29-K31 VanDerWaalsContact C-N 3.28Å; W29-K31 PolarHBondContact O-N 2.85Å; W29-G32 CarbonylContact O-C 3.21Å; W29-G32 WeakPolarHBondContact O-CA 3.49Å; W29-G32 PolarHBondContact O-N 2.9Å; W29-H33 HydrophobicContact CD2-CB 4.14Å; W29-H33 HydrophobicContact CE3-CB 3.91Å; W29-H33 HydrophobicContact CH2-CB 3.77Å; W29-H33 AromaticContact CH2-CD2 3.47Å; W29-H33 VanDerWaalsContact CH2-CD2 3.47Å; W29-H33 WeakPolarHBondContact CH2-CD2 3.36Å; W29-H33 AromaticContact CH2-CG 3.36Å; W29-H33 AromaticContact CH2-ND1 3.74Å; W29-H33 AromaticContact CH2-NE2 3.9Å; W29-H33 HydrophobicContact CZ2-CB 4Å; W29-H33 AromaticContact CZ2-CE1 3.96Å; W29-H33 AromaticContact CZ2-CG 3.6Å; W29-H33 AromaticContact CZ2-ND1 3.52Å; W29-H33 HydrophobicContact CZ3-CB 3.73Å; W29-H33 AromaticContact CZ3-CD2 3.99Å; W29-H33 AromaticContact CZ3-CG 3.83Å; W29-H33 WeakPolarHBondContact O-CB 3.49Å; W29-H33 PolarHBondContact O-N 2.93Å; W29-Y34 HydrophobicContact CZ3-CD2 4.42Å; W29-Y34 AromaticContact CZ3-CE2 3.83Å; W29-Y34 HydrophobicContact CZ3-CE2 3.83Å; W29-G74 VanDerWaalsContact CD1-CA 3.43Å; W29-G74 VanDerWaalsContact CD1-N 3.33Å; W29-N112 HydrophobicContact CB-CB 4.24Å; W29-N112 WeakPolarHBondContact CB-OD1 3.49Å; W29-N112 PolarHBondContact N-OD1 2.88Å; W29-L115 HydrophobicContact CB-CD1 4.23Å; W29-L115 HydrophobicContact CD2-CB 3.83Å; W29-L115 HydrophobicContact CD2-CD1 3.89Å; W29-L115 HydrophobicContact CE3-CB 4.24Å; W29-L115 HydrophobicContact CE3-CD1 3.71Å; W29-L115 HydrophobicContact CG-CB 4.12Å; W29-L115 HydrophobicContact CG-CD1 4.12Å; W29-L115 HydrophobicContact CZ2-CB 4.22Å; W29-L115 HydrophobicContact CZ3-CD1 4.37Å; W29-S116 VanDerWaalsContact CD1-OG 3.28Å; W29-S116 PolarHBondContact NE1-OG 2.87Å; W29-Q119 HydrophobicContact CZ2-CG 4.18Å; W29-Y326 HydrophobicContact CB-CE1 4.07Å; W29-M331 HydrophobicContact CE3-CE 4.49Å; W29-M331 HydrophobicContact CE3-SD 4.25Å; W29-M331 HydrophobicContact CZ3-CE 4.16Å; W29-M331 HydrophobicContact CZ3-SD 4.21Å
30	A	95	Very high	91.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-36.2	-178.8	0	0	0	0	0	111.8	N28 G32 H33 Y34 Y326 E329 M331	N28-A30 WeakPolarHBondContact OD1-CB 3.24Å; N28-A30 PolarHBondContact OD1-N 3.05Å; A30-G32 PolarHBondContact O-N 2.73Å; A30-H33 PolarHBondContact O-N 3.03Å; A30-Y34 HydrophobicContact CB-CD2 4.31Å; A30-Y34 WeakPolarHBondContact O-CB 3.26Å; A30-Y34 PolarHBondContact O-N 3Å; A30-Y326 HydrophobicContact CB-CD1 3.94Å; A30-E329 HydrophobicContact CB-CB 3.91Å; A30-E329 HydrophobicContact CB-CG 4.42Å; A30-M331 HydrophobicContact CB-CB 4.32Å; A30-M331 HydrophobicContact CB-SD 4.21Å
31	K	94.3	Very high	91.4	Very high	66 Å²	66	50 Å²	50	29%	0.287	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-43.7	171.5	-75.9	-166.9	168.6	-168.4	0	113	A25 N28 W29 H33 T35 E36 G37 E329	A25-K31 HydrophobicContact CB-CB 4.27Å; N28-K31 HydrophobicContact CB-CB 4.14Å; N28-K31 HydrophobicContact CB-CD 4.28Å; N28-K31 HydrophobicContact CB-CG 4.06Å; N28-K31 PolarHBondContact O-N 3.48Å; N28-K31 PolarHBondContact OD1-N 3.03Å; W29-K31 VanDerWaalsContact C-N 3.28Å; W29-K31 PolarHBondContact O-N 2.85Å; K31-H33 VanDerWaalsContact C-N 3.3Å; K31-T35 VanDerWaalsContact CA-OG1 3.31Å; K31-T35 WeakPolarHBondContact CA-OG1 3.34Å; K31-T35 PolarHBondContact O-N 3.21Å; K31-T35 PolarHBondContact O-OG1 3.34Å; K31-E36 PolarHBondContact O-N 3.41Å; K31-G37 PolarHBondContact O-N 3.13Å; K31-E329 WeakPolarHBondContact CE-OE1 3.39Å; K31-E329 VanDerWaalsContact CG-CD 3.45Å; K31-E329 HydrophobicContact CG-CG 3.67Å; K31-E329 WeakPolarHBondContact CG-OE2 3.48Å; K31-E329 IonicContact NZ-OE1 3.48Å
32	G	93.8	Very high	91.6	Very high	1 Å²	1	53 Å²	53	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-32.3	177.4	0	0	0	0	0	112.7	N28 W29 A30 G37 G74 M75	N28-G32 PolarHBondContact O-N 3.3Å; W29-G32 CarbonylContact O-C 3.21Å; W29-G32 WeakPolarHBondContact O-CA 3.49Å; W29-G32 PolarHBondContact O-N 2.9Å; A30-G32 PolarHBondContact O-N 2.73Å; G32-G37 WeakPolarHBondContact O-CA 3.29Å; G32-G74 CarbonylContact O-C 3.46Å; G32-M75 WeakPolarHBondContact O-CA 3.5Å; G32-M75 WeakPolarHBondContact O-CB 3.47Å; G32-M75 PolarHBondContact O-N 3.31Å
33	H	94.8	Very high	92.1	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-94.3	-41.4	-172.4	-159.4	80.2	0	0	0	113.6	W29 A30 K31 G74 T77 L78	W29-H33 HydrophobicContact CD2-CB 4.14Å; W29-H33 HydrophobicContact CE3-CB 3.91Å; W29-H33 HydrophobicContact CH2-CB 3.77Å; W29-H33 AromaticContact CH2-CD2 3.47Å; W29-H33 VanDerWaalsContact CH2-CD2 3.47Å; W29-H33 WeakPolarHBondContact CH2-CD2 3.36Å; W29-H33 AromaticContact CH2-CG 3.36Å; W29-H33 AromaticContact CH2-ND1 3.74Å; W29-H33 AromaticContact CH2-NE2 3.9Å; W29-H33 HydrophobicContact CZ2-CB 4Å; W29-H33 AromaticContact CZ2-CE1 3.96Å; W29-H33 AromaticContact CZ2-CG 3.6Å; W29-H33 AromaticContact CZ2-ND1 3.52Å; W29-H33 HydrophobicContact CZ3-CB 3.73Å; W29-H33 AromaticContact CZ3-CD2 3.99Å; W29-H33 AromaticContact CZ3-CG 3.83Å; W29-H33 WeakPolarHBondContact O-CB 3.49Å; W29-H33 PolarHBondContact O-N 2.93Å; A30-H33 PolarHBondContact O-N 3.03Å; K31-H33 VanDerWaalsContact C-N 3.3Å; H33-G74 PolarHBondContact ND1-O 3.49Å; H33-T77 PolarHBondContact ND1-OG1 3.19Å; H33-L78 WeakPolarHBondContact O-CD2 3.41Å
34	Y	92.9	Very high	92.5	Very high	96 Å²	96	44 Å²	44	38%	0.376	26%	0.259	S	S	.	.	H	α-helix	trans	-108.1	-27	-170.9	-66.8	-59.6	0	0	0	114.8	W29 A30 M331 E335	W29-Y34 HydrophobicContact CZ3-CD2 4.42Å; W29-Y34 AromaticContact CZ3-CE2 3.83Å; W29-Y34 HydrophobicContact CZ3-CE2 3.83Å; A30-Y34 HydrophobicContact CB-CD2 4.31Å; A30-Y34 WeakPolarHBondContact O-CB 3.26Å; A30-Y34 PolarHBondContact O-N 3Å; Y34-M331 HydrophobicContact CD2-CB 4.49Å; Y34-M331 HydrophobicContact CE2-CB 4.22Å; Y34-M331 HydrophobicContact CE2-CG 4.14Å; Y34-E335 PolarHBondContact OH-OE2 2.52Å
35	T	91.8	Very high	92.8	Very high	41 Å²	41	41.7 Å²	41.7	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-112.7	-95	-174.1	63.1	0	0	0	0	112	K31 G37 A38 E39 E329	K31-T35 VanDerWaalsContact CA-OG1 3.31Å; K31-T35 WeakPolarHBondContact CA-OG1 3.34Å; K31-T35 PolarHBondContact O-N 3.21Å; K31-T35 PolarHBondContact O-OG1 3.34Å; T35-G37 VanDerWaalsContact C-N 3.32Å; T35-G37 PolarHBondContact O-N 3.13Å; T35-A38 PolarHBondContact O-N 3.27Å; T35-A38 VanDerWaalsContact O-N 3.11Å; T35-E39 PolarHBondContact O-N 2.94Å; T35-E329 HydrophobicContact CG2-CB 4.24Å; T35-E329 VanDerWaalsContact CG2-OE2 3.27Å; T35-E329 WeakPolarHBondContact CG2-OE2 3.49Å; T35-E329 PolarHBondContact OG1-OE2 3.3Å
36	E	91.3	Very high	93.2	Very high	73 Å²	73	45.9 Å²	45.9	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-39	-173	-63.5	-79.4	-170.7	0	0	113.1	S23 K31 L40	S23-E36 VanDerWaalsContact CB-CD 3.41Å; S23-E36 WeakPolarHBondContact CB-OE1 3.26Å; S23-E36 VanDerWaalsContact CB-OE2 3.26Å; S23-E36 WeakPolarHBondContact CB-OE2 3.43Å; S23-E36 PolarHBondContact OG-OE1 2.7Å; K31-E36 PolarHBondContact O-N 3.41Å; E36-L40 PolarHBondContact O-N 3.33Å
37	G	90	Very high	93.4	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-75.6	-29	178.7	0	0	0	0	0	113.4	K31 G32 T35 E39 L40 V41	K31-G37 PolarHBondContact O-N 3.13Å; G32-G37 WeakPolarHBondContact O-CA 3.29Å; T35-G37 VanDerWaalsContact C-N 3.32Å; T35-G37 PolarHBondContact O-N 3.13Å; G37-E39 VanDerWaalsContact C-N 3.35Å; G37-L40 PolarHBondContact O-N 3.5Å; G37-V41 WeakPolarHBondContact O-CB 3.22Å; G37-V41 PolarHBondContact O-N 2.75Å
38	A	91.4	Very high	93.6	Very high	35 Å²	35	42.5 Å²	42.5	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-33.2	175.5	0	0	0	0	0	112	T35 L40 V41 L78	T35-A38 PolarHBondContact O-N 3.27Å; T35-A38 VanDerWaalsContact O-N 3.11Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3Å; A38-V41 WeakPolarHBondContact O-CG1 3.31Å; A38-L78 HydrophobicContact CB-CD2 4.18Å
39	E	91.6	Very high	93.6	Very high	155 Å²	155	46.3 Å²	46.3	72%	0.724	24%	0.238	S	C	*	.	H	α-helix	trans	-68.9	-29.9	172.7	-65.5	-174.2	179.5	0	0	112.6	T35 G37	T35-E39 PolarHBondContact O-N 2.94Å; G37-E39 VanDerWaalsContact C-N 3.35Å
40	L	93.4	Very high	93.6	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.199	26%	0.256	C	S	.	.	H	α-helix	trans	-92.5	-22.9	-175.4	-166.4	63.1	0	0	0	113.6	I19 E36 G37 A38 D42 S43 V44 M75	I19-L40 HydrophobicContact CG2-CD1 3.58Å; I19-L40 HydrophobicContact CG2-CD2 4.25Å; I19-L40 HydrophobicContact CG2-CG 3.89Å; E36-L40 PolarHBondContact O-N 3.33Å; G37-L40 PolarHBondContact O-N 3.5Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3Å; L40-D42 VanDerWaalsContact C-N 3.31Å; L40-D42 PolarHBondContact O-N 2.75Å; L40-S43 WeakPolarHBondContact O-CB 2.89Å; L40-S43 PolarHBondContact O-N 3.25Å; L40-V44 PolarHBondContact O-N 3.11Å; L40-M75 HydrophobicContact CB-CE 3.79Å; L40-M75 HydrophobicContact CD2-CE 3.84Å; L40-M75 HydrophobicContact CD2-SD 4.2Å; L40-M75 HydrophobicContact CG-CE 3.83Å
41	V	93.8	Very high	93.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-38.3	-171.5	74.2	0	0	0	0	112.6	G37 A38 S43 V44 L45 L78 L79	G37-V41 WeakPolarHBondContact O-CB 3.22Å; G37-V41 PolarHBondContact O-N 2.75Å; A38-V41 WeakPolarHBondContact O-CG1 3.31Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 2.9Å; V41-V44 CarbonylContact O-C 3.4Å; V41-V44 WeakPolarHBondContact O-CA 3.45Å; V41-V44 WeakPolarHBondContact O-CB 3.5Å; V41-V44 PolarHBondContact O-N 2.9Å; V41-L45 HydrophobicContact CG2-CD1 4.22Å; V41-L45 HydrophobicContact CG2-CG 4.33Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.11Å; V41-L78 HydrophobicContact CB-CD2 4.02Å; V41-L78 HydrophobicContact CG1-CD2 4.04Å; V41-L78 HydrophobicContact CG2-CD2 4.24Å; V41-L78 HydrophobicContact CG2-CG 4.32Å; V41-L79 HydrophobicContact CG2-CD1 4.08Å
42	D	93.3	Very high	93.5	Very high	100 Å²	100	51.2 Å²	51.2	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-40.4	-179.7	-71.6	-25	0	0	0	111.7	L40 V44 L45 D46	L40-D42 VanDerWaalsContact C-N 3.31Å; L40-D42 PolarHBondContact O-N 2.75Å; D42-V44 VanDerWaalsContact C-N 3.27Å; D42-V44 PolarHBondContact O-N 2.76Å; D42-L45 PolarHBondContact O-N 2.99Å; D42-D46 PolarHBondContact O-N 3.25Å
43	S	94.1	Very high	93.5	Very high	60 Å²	60	59 Å²	59	42%	0.42	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-36.4	175.1	-62.8	0	0	0	0	111.8	I19 L40 V41 V47	I19-S43 VanDerWaalsContact CD1-O 3.22Å; I19-S43 WeakPolarHBondContact CD1-O 3.46Å; L40-S43 WeakPolarHBondContact O-CB 2.89Å; L40-S43 PolarHBondContact O-N 3.25Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 2.9Å; S43-V47 PolarHBondContact O-N 3.35Å
44	V	94.9	Very high	93.5	Very high	25 Å²	25	63.1 Å²	63.1	15%	0.152	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-45.7	176.1	-178.5	0	0	0	0	110.8	I19 L40 V41 D42 D46 V47 V48 M75 L79	I19-V44 HydrophobicContact CB-CG2 4.2Å; I19-V44 VanDerWaalsContact CD1-CA 3.43Å; I19-V44 HydrophobicContact CD1-CB 4.17Å; I19-V44 HydrophobicContact CD1-CG2 3.88Å; I19-V44 HydrophobicContact CG2-CG2 3.82Å; L40-V44 PolarHBondContact O-N 3.11Å; V41-V44 CarbonylContact O-C 3.4Å; V41-V44 WeakPolarHBondContact O-CA 3.45Å; V41-V44 WeakPolarHBondContact O-CB 3.5Å; V41-V44 PolarHBondContact O-N 2.9Å; D42-V44 VanDerWaalsContact C-N 3.27Å; D42-V44 PolarHBondContact O-N 2.76Å; V44-D46 VanDerWaalsContact C-N 3.3Å; V44-D46 PolarHBondContact O-N 3.05Å; V44-V47 PolarHBondContact O-N 2.79Å; V44-V48 HydrophobicContact CG1-CG2 4.27Å; V44-V48 WeakPolarHBondContact O-CG2 3.17Å; V44-V48 PolarHBondContact O-N 3.34Å; V44-M75 HydrophobicContact CG2-CE 3.76Å; V44-L79 HydrophobicContact CB-CD1 4.35Å; V44-L79 HydrophobicContact CG1-CD1 3.8Å; V44-L79 HydrophobicContact CG1-CD2 3.99Å
45	L	94.4	Very high	93.6	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-37.9	178.6	-70.7	170.8	0	0	0	112.1	V41 D42 V47 V48 R49 L79 K82 V83	V41-L45 HydrophobicContact CG2-CD1 4.22Å; V41-L45 HydrophobicContact CG2-CG 4.33Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.11Å; D42-L45 PolarHBondContact O-N 2.99Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 2.86Å; L45-V48 PolarHBondContact O-N 3.03Å; L45-R49 WeakPolarHBondContact O-CB 2.98Å; L45-R49 VanDerWaalsContact O-CG 3.29Å; L45-R49 WeakPolarHBondContact O-CG 3.38Å; L45-R49 PolarHBondContact O-N 3.29Å; L45-L79 HydrophobicContact CD2-CD1 3.87Å; L45-L79 HydrophobicContact CG-CD1 4.28Å; L45-K82 HydrophobicContact CD1-CB 3.8Å; L45-K82 HydrophobicContact CD1-CG 4.23Å; L45-K82 HydrophobicContact CD2-CB 4.09Å; L45-V83 HydrophobicContact CD2-CG2 3.9Å
46	D	95.1	Very high	93.6	Very high	92 Å²	92	68.1 Å²	68.1	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.3	-76.1	-13.6	0	0	0	112.9	D42 V44 R49 K50	D42-D46 PolarHBondContact O-N 3.25Å; V44-D46 VanDerWaalsContact C-N 3.3Å; V44-D46 PolarHBondContact O-N 3.05Å; D46-R49 IonicContact OD1-NH1 2.95Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 PolarHBondContact O-N 3.16Å; D46-K50 VanDerWaalsContact O-N 3.13Å
47	V	95.5	Very high	93.6	Very high	34 Å²	34	69.5 Å²	69.5	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-40	173.8	171.9	0	0	0	0	111	N17 I19 S43 V44 L45 R49 K50 E51	N17-V47 HydrophobicContact CB-CG1 4.3Å; I19-V47 HydrophobicContact CD1-CB 3.94Å; I19-V47 HydrophobicContact CD1-CG2 3.67Å; I19-V47 HydrophobicContact CG1-CG2 4.42Å; S43-V47 PolarHBondContact O-N 3.35Å; V44-V47 PolarHBondContact O-N 2.79Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 2.86Å; V47-R49 PolarHBondContact O-N 2.8Å; V47-K50 PolarHBondContact O-N 3.35Å; V47-E51 WeakPolarHBondContact O-CG 3.3Å; V47-E51 PolarHBondContact O-N 3.25Å
48	V	94.9	Very high	93.7	Very high	30 Å²	30	70.8 Å²	70.8	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-47.9	175.4	171.8	0	0	0	0	110.5	V44 L45 K50 E51 C52 F61	V44-V48 HydrophobicContact CG1-CG2 4.27Å; V44-V48 WeakPolarHBondContact O-CG2 3.17Å; V44-V48 PolarHBondContact O-N 3.34Å; L45-V48 PolarHBondContact O-N 3.03Å; V48-K50 PolarHBondContact O-N 3.18Å; V48-E51 PolarHBondContact O-N 2.7Å; V48-C52 WeakPolarHBondContact O-CB 3.32Å; V48-C52 PolarHBondContact O-N 2.97Å; V48-C52 PolarHBondContact O-SG 3.5Å; V48-F61 HydrophobicContact CG1-CD1 4.37Å; V48-F61 HydrophobicContact CG1-CE1 3.6Å; V48-F61 HydrophobicContact CG1-CZ 4.31Å
49	R	94.7	Very high	93.6	Very high	86 Å²	86	73.9 Å²	73.9	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-54	-50.4	175.1	-77.2	169.7	-170.6	143.2	4	111.8	L45 D46 V47 E51 C52 E53 E86	L45-R49 WeakPolarHBondContact O-CB 2.98Å; L45-R49 VanDerWaalsContact O-CG 3.29Å; L45-R49 WeakPolarHBondContact O-CG 3.38Å; L45-R49 PolarHBondContact O-N 3.29Å; D46-R49 IonicContact OD1-NH1 2.95Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; V47-R49 PolarHBondContact O-N 2.8Å; R49-E51 VanDerWaalsContact C-N 3.31Å; R49-E51 PolarHBondContact O-N 2.95Å; R49-C52 WeakPolarHBondContact O-CB 3.44Å; R49-C52 PolarHBondContact O-N 3.26Å; R49-C52 VanDerWaalsContact O-N 3.11Å; R49-E53 WeakPolarHBondContact O-CG 3.3Å; R49-E53 PolarHBondContact O-N 2.93Å; R49-E86 WeakPolarHBondContact CD-OE1 3.26Å; R49-E86 WeakPolarHBondContact CG-OE1 3.45Å; R49-E86 IonicContact CZ-OE1 3.63Å; R49-E86 IonicContact CZ-OE2 3.72Å; R49-E86 VanDerWaalsContact CZ-OE2 3.27Å; R49-E86 VanDerWaalsContact NE-CD 3.29Å; R49-E86 IonicContact NE-OE1 3.85Å; R49-E86 PolarHBondContact NE-OE1 3.31Å; R49-E86 IonicContact NE-OE2 3.27Å; R49-E86 PolarHBondContact NE-OE2 2.8Å; R49-E86 IonicContact NH2-OE1 3.46Å; R49-E86 IonicContact NH2-OE2 2.9Å; R49-E86 PolarHBondContact NH2-OE2 3.04Å
50	K	95.1	Very high	93.6	Very high	91 Å²	91	67.2 Å²	67.2	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-39.9	179.9	-174.5	179.5	-178.9	179.7	0	112.7	D46 V47 V48 N54	D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 PolarHBondContact O-N 3.16Å; D46-K50 VanDerWaalsContact O-N 3.13Å; V47-K50 PolarHBondContact O-N 3.35Å; V48-K50 PolarHBondContact O-N 3.18Å; K50-N54 VanDerWaalsContact O-CG 3.24Å; K50-N54 PolarHBondContact O-N 3.12Å; K50-N54 PolarHBondContact O-ND2 3.19Å
51	E	94.5	Very high	93.7	Very high	65 Å²	65	67.1 Å²	67.1	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-73.3	-33.9	176.7	-65.4	-62.2	164.7	0	0	111.9	N17 V47 V48 R49 N54 C55	N17-E51 PolarHBondContact ND2-OE1 3.36Å; V47-E51 WeakPolarHBondContact O-CG 3.3Å; V47-E51 PolarHBondContact O-N 3.25Å; V48-E51 PolarHBondContact O-N 2.7Å; R49-E51 VanDerWaalsContact C-N 3.31Å; R49-E51 PolarHBondContact O-N 2.95Å; E51-N54 PolarHBondContact O-N 3.4Å; E51-C55 PolarHBondContact O-SG 2.92Å
52	C	93.3	Very high	93.8	Very high	18 Å²	18	71.3 Å²	71.3	12%	0.122	38%	0.379	C	S	.	.	H	α-helix	trans	-65.1	-43.2	174.6	-66.4	0	0	0	0	112.1	V48 R49 N54 C55 L58 F61 Y87	V48-C52 WeakPolarHBondContact O-CB 3.32Å; V48-C52 PolarHBondContact O-N 2.97Å; V48-C52 PolarHBondContact O-SG 3.5Å; R49-C52 WeakPolarHBondContact O-CB 3.44Å; R49-C52 PolarHBondContact O-N 3.26Å; R49-C52 VanDerWaalsContact O-N 3.11Å; C52-N54 PolarHBondContact O-N 2.97Å; C52-C55 WeakPolarHBondContact O-CB 3.41Å; C52-C55 PolarHBondContact O-N 2.73Å; C52-C55 VanDerWaalsContact O-N 3.12Å; C52-L58 HydrophobicContact CB-CD2 4.21Å; C52-F61 VanDerWaalsContact SG-CE1 3.58Å; C52-Y87 HydrophobicContact CB-CE1 4.33Å
53	E	93.8	Very high	93.9	Very high	164 Å²	164	68.2 Å²	68.2	77%	0.766	36%	0.362	S	S	*	.	H	α-helix	trans	-64.6	-26	177	-72.6	-176.4	166.4	0	0	113.1	R49 C55	R49-E53 WeakPolarHBondContact O-CG 3.3Å; R49-E53 PolarHBondContact O-N 2.93Å; E53-C55 VanDerWaalsContact C-N 3.27Å; E53-C55 PolarHBondContact O-N 2.75Å
54	N	94.3	Very high	94	Very high	106 Å²	106	69.6 Å²	69.6	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.6	176.7	-67.9	-33.3	0	0	0	113.3	K50 E51 C52	K50-N54 VanDerWaalsContact O-CG 3.24Å; K50-N54 PolarHBondContact O-N 3.12Å; K50-N54 PolarHBondContact O-ND2 3.19Å; E51-N54 PolarHBondContact O-N 3.4Å; C52-N54 PolarHBondContact O-N 2.97Å
55	C	94	Very high	94.1	Very high	62 Å²	62	69.1 Å²	69.1	42%	0.419	36%	0.364	S	S	.	.			trans	-97.6	132.2	-179	-70.1	0	0	0	0	111.3	E51 C52 E53	E51-C55 PolarHBondContact O-SG 2.92Å; C52-C55 WeakPolarHBondContact O-CB 3.41Å; C52-C55 PolarHBondContact O-N 2.73Å; C52-C55 VanDerWaalsContact O-N 3.12Å; E53-C55 VanDerWaalsContact C-N 3.27Å; E53-C55 PolarHBondContact O-N 2.75Å
56	D	93.2	Very high	94	Very high	180 Å²	180	71.3 Å²	71.3	96%	0.963	38%	0.38	S	S	*	.	S	Bend	trans	-64	-42.8	176.5	-62.2	-38.8	0	0	0	112.2
57	C	90.2	Very high	94	Very high	102 Å²	102	67.1 Å²	67.1	69%	0.689	36%	0.358	S	S	*	.	S	Bend	trans	-150.3	96.8	176.9	-172.2	0	0	0	0	110.7	Q59	C57-Q59 PolarHBondContact O-N 3.38Å
58	L	92.3	Very high	93.7	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.162	35%	0.35	C	S	.	.			trans	-67.9	125.4	178.2	-178.9	67.6	0	0	0	111.2	C52 F61 R90	C52-L58 HydrophobicContact CB-CD2 4.21Å; L58-F61 HydrophobicContact CD2-CE1 4.17Å; L58-F61 HydrophobicContact CD2-CE2 4.06Å; L58-F61 HydrophobicContact CD2-CZ 3.63Å; L58-R90 HydrophobicContact CD2-CG 4.31Å; L58-R90 WeakPolarHBondContact O-CD 3.33Å; L58-R90 PolarHBondContact O-NH1 3.31Å
59	Q	89.4	Confident	93.5	Very high	99 Å²	99	64.8 Å²	64.8	46%	0.463	35%	0.347	S	S	.	.			trans	-81.6	-41.4	174.8	-66.3	-168.3	24	0	0	112.6	C57 I91 L178	C57-Q59 PolarHBondContact O-N 3.38Å; Q59-I91 PolarHBondContact O-N 2.91Å; Q59-L178 HydrophobicContact CB-CD1 4.27Å
60	G	92.6	Very high	93.3	Very high	16 Å²	16	60.8 Å²	60.8	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-172.7	-170.3	0	0	0	0	0	112.9	I91	G60-I91 CarbonylContact C-O 3.57Å; G60-I91 WeakPolarHBondContact CA-O 3.29Å
61	F	95.4	Very high	93.3	Very high	35 Å²	35	60 Å²	60	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.1	-178.8	-57.9	-85.7	0	0	0	110.2	V48 C52 L58 V83 Y87 R90 I91 M92 N93	V48-F61 HydrophobicContact CG1-CD1 4.37Å; V48-F61 HydrophobicContact CG1-CE1 3.6Å; V48-F61 HydrophobicContact CG1-CZ 4.31Å; C52-F61 VanDerWaalsContact SG-CE1 3.58Å; L58-F61 HydrophobicContact CD2-CE1 4.17Å; L58-F61 HydrophobicContact CD2-CE2 4.06Å; L58-F61 HydrophobicContact CD2-CZ 3.63Å; F61-V83 HydrophobicContact CD1-CG1 4.13Å; F61-V83 HydrophobicContact CD2-CG1 3.34Å; F61-V83 HydrophobicContact CE1-CG1 4.09Å; F61-V83 HydrophobicContact CE2-CG1 3.3Å; F61-V83 HydrophobicContact CG-CG1 3.76Å; F61-V83 HydrophobicContact CZ-CG1 3.68Å; F61-Y87 HydrophobicContact CE2-CD2 4Å; F61-Y87 AromaticContact CE2-CG 3.91Å; F61-Y87 HydrophobicContact CE2-CG 3.91Å; F61-Y87 HydrophobicContact CZ-CD1 4.4Å; F61-Y87 AromaticContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CE2 4.15Å; F61-Y87 AromaticContact CZ-CG 3.87Å; F61-Y87 HydrophobicContact CZ-CG 3.87Å; F61-R90 HydrophobicContact CD2-CB 4.38Å; F61-R90 HydrophobicContact CE2-CB 4.03Å; F61-R90 HydrophobicContact CE2-CG 4.46Å; F61-I91 PolarHBondContact N-O 3.29Å; F61-M92 HydrophobicContact CB-CE 3.75Å; F61-M92 HydrophobicContact CB-SD 3.86Å; F61-M92 HydrophobicContact CD2-CE 4Å; F61-M92 HydrophobicContact CG-CE 4.11Å; F61-N93 PolarHBondContact O-N 3.05Å
62	Q	94.1	Very high	93.2	Very high	96 Å²	96	58 Å²	58	45%	0.449	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.8	175.8	-175.1	-178.8	1.1	0	0	108.9	N93 F95	Q62-N93 CarbonylContact C-O 3.49Å; Q62-N93 VanDerWaalsContact CA-O 3.3Å; Q62-N93 WeakPolarHBondContact CA-O 3.34Å; Q62-F95 HydrophobicContact CG-CD2 3.76Å; Q62-F95 HydrophobicContact CG-CE2 3.66Å; Q62-F95 VanDerWaalsContact NE2-CD2 3.28Å
63	L	96	Very high	93.3	Very high	35 Å²	35	57.1 Å²	57.1	18%	0.183	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.6	176	-173.6	66.9	0	0	0	110.9	H65 I80 N93 T94 F95	L63-H65 HydrophobicContact CD2-CB 4.34Å; L63-H65 WeakPolarHBondContact CD2-ND1 3.44Å; L63-H65 HydrophobicContact CG-CB 4.31Å; L63-I80 HydrophobicContact CD2-CD1 3.61Å; L63-I80 HydrophobicContact CD2-CG1 3.71Å; L63-N93 PolarHBondContact N-O 3.37Å; L63-T94 HydrophobicContact CB-CG2 4.29Å; L63-T94 CarbonylContact O-C 3.58Å; L63-T94 WeakPolarHBondContact O-CA 3.14Å; L63-F95 PolarHBondContact O-N 2.89Å
64	T	96.6	Very high	93.3	Very high	89 Å²	89	49.3 Å²	49.3	55%	0.546	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.6	169.5	55.3	0	0	0	0	109.2	F95 M161	T64-F95 HydrophobicContact CG2-CB 4.13Å; T64-M161 HydrophobicContact CG2-CE 3.33Å; T64-M161 HydrophobicContact CG2-SD 4.27Å
65	H	95.9	Very high	93.3	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.069	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	167.2	-176.1	69	172.2	0	0	0	112.7	L63 G72 F95 S96 V97	L63-H65 HydrophobicContact CD2-CB 4.34Å; L63-H65 WeakPolarHBondContact CD2-ND1 3.44Å; L63-H65 HydrophobicContact CG-CB 4.31Å; H65-G72 WeakPolarHBondContact CB-O 3.46Å; H65-G72 PolarHBondContact ND1-O 2.95Å; H65-F95 PolarHBondContact N-O 2.83Å; H65-F95 VanDerWaalsContact N-O 3.1Å; H65-S96 PolarHBondContact CD2-OG 3.25Å; H65-S96 PolarHBondContact NE2-OG 3.24Å; H65-V97 PolarHBondContact O-N 3.46Å
66	S	94.1	Very high	93.4	Very high	52 Å²	52	42.7 Å²	42.7	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.1	172.2	62.9	0	0	0	0	110.2	G72 S73	S66-G72 CarbonylContact O-C 3.58Å; S66-S73 PolarHBondContact O-N 3.48Å; S66-S73 VanDerWaalsContact O-N 3.17Å
67	L	93.5	Very high	93.5	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	-83.8	-20.9	-178.1	-53.7	-176.9	0	0	0	112.6	S73 V97 V98 N112 A113 I117 L120	L67-S73 WeakPolarHBondContact O-CB 3.41Å; L67-V97 PolarHBondContact N-O 2.92Å; L67-V98 HydrophobicContact CD1-CG2 4.24Å; L67-N112 CarbonylContact O-C 3.54Å; L67-N112 VanDerWaalsContact O-CB 3.29Å; L67-N112 WeakPolarHBondContact O-CB 3.47Å; L67-A113 HydrophobicContact CB-CB 4.18Å; L67-A113 PolarHBondContact O-N 3.28Å; L67-I117 HydrophobicContact CD1-CD1 4.26Å; L67-I117 HydrophobicContact CD1-CG1 3.91Å; L67-L120 HydrophobicContact CD1-CD1 4.22Å; L67-L120 HydrophobicContact CD2-CD1 3.71Å
68	G	89.1	Confident	93.7	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	-81	-18.5	-179.2	0	0	0	0	0	115.2	N112	G68-N112 PolarHBondContact O-ND2 2.88Å
69	G	91.4	Very high	93.9	Very high	11 Å²	11	30.2 Å²	30.2	11%	0.113	18%	0.178	C	C	.	.	S	Bend	trans	-77.3	-164.8	-178.3	0	0	0	0	0	113.3	S73 N112	G69-S73 WeakPolarHBondContact O-CB 3.48Å; G69-S73 PolarHBondContact O-OG 3.07Å; G69-N112 VanDerWaalsContact O-CB 3.3Å; G69-N112 WeakPolarHBondContact O-CB 3.3Å; G69-N112 PolarHBondContact O-ND2 3.21Å
70	G	91.6	Very high	94.2	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-108	-43.7	168.8	0	0	0	0	0	113.2	N28 S73 G74	N28-G70 WeakPolarHBondContact O-CA 3.35Å; G70-S73 WeakPolarHBondContact CA-OG 3.41Å; G70-S73 PolarHBondContact O-OG 3.14Å; G70-G74 WeakPolarHBondContact O-CA 3.34Å; G70-G74 PolarHBondContact O-N 3.13Å
71	T	93.9	Very high	94.3	Very high	74 Å²	74	26.1 Å²	26.1	45%	0.454	16%	0.157	S	C	.	.	I	π-helix	trans	-76.7	-52.3	-179.4	-51.9	0	0	0	0	111.7	A25 S73 M75 G76	A25-T71 WeakPolarHBondContact CB-OG1 3.38Å; T71-S73 PolarHBondContact O-N 3.37Å; T71-M75 HydrophobicContact CG2-CB 4.27Å; T71-M75 HydrophobicContact CG2-SD 4.16Å; T71-M75 WeakPolarHBondContact O-CA 3.43Å; T71-M75 WeakPolarHBondContact O-CB 3.08Å; T71-M75 PolarHBondContact O-N 3.2Å; T71-M75 VanDerWaalsContact O-N 3.09Å; T71-G76 PolarHBondContact O-N 3.24Å
72	G	93.2	Very high	94.3	Very high	23 Å²	23	27.8 Å²	27.8	24%	0.237	16%	0.164	C	C	.	.	I	π-helix	trans	-61.2	-36.4	-179.3	0	0	0	0	0	112.4	H65 S66 G76	H65-G72 WeakPolarHBondContact CB-O 3.46Å; H65-G72 PolarHBondContact ND1-O 2.95Å; S66-G72 CarbonylContact O-C 3.58Å; G72-G76 WeakPolarHBondContact O-CA 3.29Å; G72-G76 PolarHBondContact O-N 2.92Å
73	S	93.9	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-78.8	-69.7	179.6	59.8	0	0	0	0	110.9	S66 L67 G69 G70 T71 G76 T77 S116	S66-S73 PolarHBondContact O-N 3.48Å; S66-S73 VanDerWaalsContact O-N 3.17Å; L67-S73 WeakPolarHBondContact O-CB 3.41Å; G69-S73 WeakPolarHBondContact O-CB 3.48Å; G69-S73 PolarHBondContact O-OG 3.07Å; G70-S73 WeakPolarHBondContact CA-OG 3.41Å; G70-S73 PolarHBondContact O-OG 3.14Å; T71-S73 PolarHBondContact O-N 3.37Å; S73-G76 PolarHBondContact O-N 3.21Å; S73-T77 WeakPolarHBondContact O-CG2 3.3Å; S73-T77 PolarHBondContact O-N 3.49Å; S73-T77 PolarHBondContact O-OG1 3.45Å; S73-S116 VanDerWaalsContact CB-OG 3.22Å; S73-S116 WeakPolarHBondContact CB-OG 3.24Å
74	G	94.5	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-67.5	-51.2	-173	0	0	0	0	0	114.3	W29 G32 H33 G70 G76 T77 L78	W29-G74 VanDerWaalsContact CD1-CA 3.43Å; W29-G74 VanDerWaalsContact CD1-N 3.33Å; G32-G74 CarbonylContact O-C 3.46Å; H33-G74 PolarHBondContact ND1-O 3.49Å; G70-G74 WeakPolarHBondContact O-CA 3.34Å; G70-G74 PolarHBondContact O-N 3.13Å; G74-G76 VanDerWaalsContact C-N 3.32Å; G74-T77 PolarHBondContact O-OG1 3.43Å; G74-T77 VanDerWaalsContact O-OG1 3.06Å; G74-L78 WeakPolarHBondContact O-CB 3.37Å; G74-L78 PolarHBondContact O-N 2.76Å; G74-L78 VanDerWaalsContact O-N 3.09Å
75	M	95.1	Very high	94	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.103	15%	0.15	C	C	.	.	I	π-helix	trans	-71.2	-33.3	177.6	-171	-170.7	175.4	0	0	110.8	G32 L40 V44 T71 L78 L79	G32-M75 WeakPolarHBondContact O-CA 3.5Å; G32-M75 WeakPolarHBondContact O-CB 3.47Å; G32-M75 PolarHBondContact O-N 3.31Å; L40-M75 HydrophobicContact CB-CE 3.79Å; L40-M75 HydrophobicContact CD2-CE 3.84Å; L40-M75 HydrophobicContact CD2-SD 4.2Å; L40-M75 HydrophobicContact CG-CE 3.83Å; V44-M75 HydrophobicContact CG2-CE 3.76Å; T71-M75 HydrophobicContact CG2-CB 4.27Å; T71-M75 HydrophobicContact CG2-SD 4.16Å; T71-M75 WeakPolarHBondContact O-CA 3.43Å; T71-M75 WeakPolarHBondContact O-CB 3.08Å; T71-M75 PolarHBondContact O-N 3.2Å; T71-M75 VanDerWaalsContact O-N 3.09Å; M75-L78 PolarHBondContact O-N 3Å; M75-L79 WeakPolarHBondContact O-CB 3.33Å; M75-L79 PolarHBondContact O-N 3.31Å
76	G	95.1	Very high	93.9	Very high	8 Å²	8	29.1 Å²	29.1	8%	0.082	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-47.8	175.6	0	0	0	0	0	112.3	T71 G72 S73 G74 L79 I80	T71-G76 PolarHBondContact O-N 3.24Å; G72-G76 WeakPolarHBondContact O-CA 3.29Å; G72-G76 PolarHBondContact O-N 2.92Å; S73-G76 PolarHBondContact O-N 3.21Å; G74-G76 VanDerWaalsContact C-N 3.32Å; G76-L79 PolarHBondContact O-N 3.48Å; G76-I80 VanDerWaalsContact O-CG1 3.29Å; G76-I80 WeakPolarHBondContact O-CG1 3.45Å; G76-I80 PolarHBondContact O-N 2.98Å
77	T	95.2	Very high	93.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-36.4	177.1	54.7	0	0	0	0	112.9	H33 S73 G74 L79 I80 S81 Q119	H33-T77 PolarHBondContact ND1-OG1 3.19Å; S73-T77 WeakPolarHBondContact O-CG2 3.3Å; S73-T77 PolarHBondContact O-N 3.49Å; S73-T77 PolarHBondContact O-OG1 3.45Å; G74-T77 PolarHBondContact O-OG1 3.43Å; G74-T77 VanDerWaalsContact O-OG1 3.06Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.91Å; T77-I80 PolarHBondContact O-N 3.27Å; T77-S81 PolarHBondContact O-N 2.96Å; T77-Q119 HydrophobicContact CG2-CB 3.74Å; T77-Q119 HydrophobicContact CG2-CG 4.41Å
78	L	95.3	Very high	93.9	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-46.2	172.2	-178.2	66.7	0	0	0	111.2	H33 A38 V41 G74 M75 I80 S81 K82	H33-L78 WeakPolarHBondContact O-CD2 3.41Å; A38-L78 HydrophobicContact CB-CD2 4.18Å; V41-L78 HydrophobicContact CB-CD2 4.02Å; V41-L78 HydrophobicContact CG1-CD2 4.04Å; V41-L78 HydrophobicContact CG2-CD2 4.24Å; V41-L78 HydrophobicContact CG2-CG 4.32Å; G74-L78 WeakPolarHBondContact O-CB 3.37Å; G74-L78 PolarHBondContact O-N 2.76Å; G74-L78 VanDerWaalsContact O-N 3.09Å; M75-L78 PolarHBondContact O-N 3Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.43Å; L78-S81 PolarHBondContact O-N 3.11Å; L78-K82 WeakPolarHBondContact O-CG 3.28Å; L78-K82 PolarHBondContact O-N 2.78Å
79	L	95.8	Very high	93.9	Very high	30 Å²	30	38 Å²	38	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-42.3	178.4	-177.9	66.1	0	0	0	111.4	V41 V44 L45 M75 G76 T77 K82 V83	V41-L79 HydrophobicContact CG2-CD1 4.08Å; V44-L79 HydrophobicContact CB-CD1 4.35Å; V44-L79 HydrophobicContact CG1-CD1 3.8Å; V44-L79 HydrophobicContact CG1-CD2 3.99Å; L45-L79 HydrophobicContact CD2-CD1 3.87Å; L45-L79 HydrophobicContact CG-CD1 4.28Å; M75-L79 WeakPolarHBondContact O-CB 3.33Å; M75-L79 PolarHBondContact O-N 3.31Å; G76-L79 PolarHBondContact O-N 3.48Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.91Å; L79-K82 PolarHBondContact O-N 2.95Å; L79-V83 HydrophobicContact CD1-CG2 4.13Å; L79-V83 HydrophobicContact CG-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CB 3.27Å; L79-V83 VanDerWaalsContact O-CG2 3.24Å; L79-V83 WeakPolarHBondContact O-CG2 3.37Å; L79-V83 PolarHBondContact O-N 2.88Å
80	I	95.8	Very high	94	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-50.7	176.1	-70.3	168.1	0	0	0	110.3	L63 G76 T77 L78 K82 V83 R84 M92 T94 L120 N123 T124	L63-I80 HydrophobicContact CD2-CD1 3.61Å; L63-I80 HydrophobicContact CD2-CG1 3.71Å; G76-I80 VanDerWaalsContact O-CG1 3.29Å; G76-I80 WeakPolarHBondContact O-CG1 3.45Å; G76-I80 PolarHBondContact O-N 2.98Å; T77-I80 PolarHBondContact O-N 3.27Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.43Å; I80-K82 VanDerWaalsContact C-N 3.35Å; I80-K82 PolarHBondContact O-N 2.87Å; I80-V83 PolarHBondContact O-N 2.89Å; I80-R84 WeakPolarHBondContact O-CB 3.21Å; I80-R84 PolarHBondContact O-N 3.44Å; I80-M92 HydrophobicContact CG1-SD 4.27Å; I80-M92 HydrophobicContact CG2-CG 3.96Å; I80-M92 HydrophobicContact CG2-SD 4.43Å; I80-T94 HydrophobicContact CD1-CG2 3.7Å; I80-L120 HydrophobicContact CD1-CD2 3.64Å; I80-N123 HydrophobicContact CG2-CB 3.55Å; I80-N123 WeakPolarHBondContact CG2-O 3.21Å; I80-T124 HydrophobicContact CD1-CG2 4.05Å; I80-T124 HydrophobicContact CG2-CG2 3.8Å
81	S	94.7	Very high	94	Very high	26 Å²	26	42 Å²	42	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-46.7	179.7	174.8	0	0	0	0	111.2	T77 L78 V83 R84 E85	T77-S81 PolarHBondContact O-N 2.96Å; L78-S81 PolarHBondContact O-N 3.11Å; S81-V83 PolarHBondContact O-N 3.01Å; S81-R84 PolarHBondContact O-N 3.35Å; S81-E85 WeakPolarHBondContact O-CG 3.42Å; S81-E85 PolarHBondContact O-N 2.94Å
82	K	94.9	Very high	94	Very high	70 Å²	70	38.8 Å²	38.8	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-38.9	178.1	-68.1	-65.2	168.1	-147.6	0	114.1	L45 L78 L79 I80 R84 E85 E86	L45-K82 HydrophobicContact CD1-CB 3.8Å; L45-K82 HydrophobicContact CD1-CG 4.23Å; L45-K82 HydrophobicContact CD2-CB 4.09Å; L78-K82 WeakPolarHBondContact O-CG 3.28Å; L78-K82 PolarHBondContact O-N 2.78Å; L79-K82 PolarHBondContact O-N 2.95Å; I80-K82 VanDerWaalsContact C-N 3.35Å; I80-K82 PolarHBondContact O-N 2.87Å; K82-R84 VanDerWaalsContact C-N 3.3Å; K82-E85 WeakPolarHBondContact CD-OE2 3.42Å; K82-E85 VanDerWaalsContact NZ-CD 3.28Å; K82-E85 IonicContact NZ-OE1 2.87Å; K82-E85 PolarHBondContact NZ-OE1 2.8Å; K82-E85 IonicContact NZ-OE2 2.81Å; K82-E85 PolarHBondContact NZ-OE2 3.15Å; K82-E85 PolarHBondContact O-N 2.98Å; K82-E86 PolarHBondContact O-N 2.85Å; K82-E86 VanDerWaalsContact O-N 3.1Å
83	V	94.7	Very high	94.1	Very high	6 Å²	6	38 Å²	38	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-34.9	174.7	173.1	0	0	0	0	110.7	L45 F61 L79 I80 S81 E86 Y87 M92	L45-V83 HydrophobicContact CD2-CG2 3.9Å; F61-V83 HydrophobicContact CD1-CG1 4.13Å; F61-V83 HydrophobicContact CD2-CG1 3.34Å; F61-V83 HydrophobicContact CE1-CG1 4.09Å; F61-V83 HydrophobicContact CE2-CG1 3.3Å; F61-V83 HydrophobicContact CG-CG1 3.76Å; F61-V83 HydrophobicContact CZ-CG1 3.68Å; L79-V83 HydrophobicContact CD1-CG2 4.13Å; L79-V83 HydrophobicContact CG-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CB 3.27Å; L79-V83 VanDerWaalsContact O-CG2 3.24Å; L79-V83 WeakPolarHBondContact O-CG2 3.37Å; L79-V83 PolarHBondContact O-N 2.88Å; I80-V83 PolarHBondContact O-N 2.89Å; S81-V83 PolarHBondContact O-N 3.01Å; V83-E86 PolarHBondContact O-N 3.14Å; V83-Y87 HydrophobicContact CG1-CD2 4.13Å; V83-Y87 WeakPolarHBondContact O-CA 3.37Å; V83-Y87 WeakPolarHBondContact O-CB 3.45Å; V83-Y87 PolarHBondContact O-N 3.4Å; V83-M92 HydrophobicContact CB-CE 3.73Å; V83-M92 HydrophobicContact CG1-CE 3.36Å
84	R	93.1	Very high	94.2	Very high	67 Å²	67	38 Å²	38	25%	0.253	19%	0.186	S	C	.	.	H	α-helix	trans	-69.1	-37.4	175.7	-169.4	59.9	167.6	-155.9	-13.1	112.2	I80 S81 K82 P88 R90 D125	I80-R84 WeakPolarHBondContact O-CB 3.21Å; I80-R84 PolarHBondContact O-N 3.44Å; S81-R84 PolarHBondContact O-N 3.35Å; K82-R84 VanDerWaalsContact C-N 3.3Å; R84-P88 WeakPolarHBondContact O-CA 3.46Å; R84-R90 PolarHBondContact NH1-O 2.94Å; R84-D125 IonicContact CZ-OD1 3.98Å; R84-D125 IonicContact CZ-OD2 3.19Å; R84-D125 IonicContact NH1-OD1 3.82Å; R84-D125 PolarHBondContact NH1-OD1 3.36Å; R84-D125 IonicContact NH1-OD2 2.63Å; R84-D125 PolarHBondContact NH1-OD2 3.38Å; R84-D125 IonicContact NH2-OD1 3.68Å; R84-D125 PolarHBondContact NH2-OD1 3.29Å; R84-D125 IonicContact NH2-OD2 3.67Å
85	E	93.6	Very high	94.2	Very high	123 Å²	123	38.2 Å²	38.2	58%	0.575	19%	0.187	S	C	*	.	H	α-helix	trans	-60.7	-44.1	171.8	-73.4	174.6	-162	0	0	111.7	S81 K82	S81-E85 WeakPolarHBondContact O-CG 3.42Å; S81-E85 PolarHBondContact O-N 2.94Å; K82-E85 WeakPolarHBondContact CD-OE2 3.42Å; K82-E85 VanDerWaalsContact NZ-CD 3.28Å; K82-E85 IonicContact NZ-OE1 2.87Å; K82-E85 PolarHBondContact NZ-OE1 2.8Å; K82-E85 IonicContact NZ-OE2 2.81Å; K82-E85 PolarHBondContact NZ-OE2 3.15Å; K82-E85 PolarHBondContact O-N 2.98Å
86	E	94.1	Very high	94.3	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-83	-32.4	-175.6	-167	175.6	150.5	0	0	113.5	R49 K82 V83 P88	R49-E86 WeakPolarHBondContact CD-OE1 3.26Å; R49-E86 WeakPolarHBondContact CG-OE1 3.45Å; R49-E86 IonicContact CZ-OE1 3.63Å; R49-E86 IonicContact CZ-OE2 3.72Å; R49-E86 VanDerWaalsContact CZ-OE2 3.27Å; R49-E86 VanDerWaalsContact NE-CD 3.29Å; R49-E86 IonicContact NE-OE1 3.85Å; R49-E86 PolarHBondContact NE-OE1 3.31Å; R49-E86 IonicContact NE-OE2 3.27Å; R49-E86 PolarHBondContact NE-OE2 2.8Å; R49-E86 IonicContact NH2-OE1 3.46Å; R49-E86 IonicContact NH2-OE2 2.9Å; R49-E86 PolarHBondContact NH2-OE2 3.04Å; K82-E86 PolarHBondContact O-N 2.85Å; K82-E86 VanDerWaalsContact O-N 3.1Å; V83-E86 PolarHBondContact O-N 3.14Å; E86-P88 VanDerWaalsContact C-CD 3.47Å
87	Y	94.1	Very high	94.2	Very high	46 Å²	46	38.3 Å²	38.3	18%	0.18	19%	0.187	C	C	.	.			trans	-128.4	63.1	-176.3	-57.2	-84.2	0	0	0	111.9	C52 F61 V83 D89 R90	C52-Y87 HydrophobicContact CB-CE1 4.33Å; F61-Y87 HydrophobicContact CE2-CD2 4Å; F61-Y87 AromaticContact CE2-CG 3.91Å; F61-Y87 HydrophobicContact CE2-CG 3.91Å; F61-Y87 HydrophobicContact CZ-CD1 4.4Å; F61-Y87 AromaticContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CD2 3.7Å; F61-Y87 HydrophobicContact CZ-CE2 4.15Å; F61-Y87 AromaticContact CZ-CG 3.87Å; F61-Y87 HydrophobicContact CZ-CG 3.87Å; V83-Y87 HydrophobicContact CG1-CD2 4.13Å; V83-Y87 WeakPolarHBondContact O-CA 3.37Å; V83-Y87 WeakPolarHBondContact O-CB 3.45Å; V83-Y87 PolarHBondContact O-N 3.4Å; Y87-D89 VanDerWaalsContact C-N 3.27Å; Y87-D89 PolarHBondContact O-N 3.44Å; Y87-R90 HydrophobicContact CD1-CG 4.48Å; Y87-R90 PolarHBondContact O-N 3.06Å
88	P	92	Very high	94	Very high	73 Å²	73	38.3 Å²	38.3	47%	0.474	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.6	-175.1	25.2	-35.2	0	0	0	113.4	R84 E86 R90	R84-P88 WeakPolarHBondContact O-CA 3.46Å; E86-P88 VanDerWaalsContact C-CD 3.47Å; P88-R90 VanDerWaalsContact C-N 3.26Å; P88-R90 PolarHBondContact O-N 2.94Å
89	D	90	Very high	93.5	Very high	128 Å²	128	38.1 Å²	38.1	68%	0.684	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.5	-178.5	-62.9	-37.4	0	0	0	113.9	Y87 R179	Y87-D89 VanDerWaalsContact C-N 3.27Å; Y87-D89 PolarHBondContact O-N 3.44Å; D89-R179 PolarHBondContact O-NH2 3.48Å
90	R	92.4	Very high	92.8	Very high	91 Å²	91	36.8 Å²	36.8	34%	0.343	18%	0.18	S	C	.	.	S	Bend	trans	-106.1	143.3	-176.1	-57.9	-59.4	179.3	-170.4	-9.1	110.6	L58 F61 R84 Y87 P88	L58-R90 HydrophobicContact CD2-CG 4.31Å; L58-R90 WeakPolarHBondContact O-CD 3.33Å; L58-R90 PolarHBondContact O-NH1 3.31Å; F61-R90 HydrophobicContact CD2-CB 4.38Å; F61-R90 HydrophobicContact CE2-CB 4.03Å; F61-R90 HydrophobicContact CE2-CG 4.46Å; R84-R90 PolarHBondContact NH1-O 2.94Å; Y87-R90 HydrophobicContact CD1-CG 4.48Å; Y87-R90 PolarHBondContact O-N 3.06Å; P88-R90 VanDerWaalsContact C-N 3.26Å; P88-R90 PolarHBondContact O-N 2.94Å
91	I	92.3	Very high	91.6	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.2	-180	-66.2	-65.6	0	0	0	109.9	Q59 G60 F61 N93 D125 L178 R179 A182	Q59-I91 PolarHBondContact O-N 2.91Å; G60-I91 CarbonylContact C-O 3.57Å; G60-I91 WeakPolarHBondContact CA-O 3.29Å; F61-I91 PolarHBondContact N-O 3.29Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.39Å; I91-D125 VanDerWaalsContact CA-OD2 3.3Å; I91-D125 WeakPolarHBondContact CA-OD2 3.25Å; I91-D125 HydrophobicContact CD1-CB 4.28Å; I91-D125 HydrophobicContact CG2-CB 4.33Å; I91-L178 HydrophobicContact CB-CB 4.38Å; I91-L178 HydrophobicContact CG1-CB 4.47Å; I91-L178 HydrophobicContact CG2-CB 4.14Å; I91-R179 HydrophobicContact CD1-CB 4.39Å; I91-R179 HydrophobicContact CG1-CB 4.17Å; I91-A182 HydrophobicContact CD1-CB 4.3Å
92	M	94.6	Very high	90.5	Very high	6 Å²	6	44 Å²	44	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.8	176.2	179.9	58.5	70.4	0	0	110.7	F61 I80 V83 T124 D125 E126	F61-M92 HydrophobicContact CB-CE 3.75Å; F61-M92 HydrophobicContact CB-SD 3.86Å; F61-M92 HydrophobicContact CD2-CE 4Å; F61-M92 HydrophobicContact CG-CE 4.11Å; I80-M92 HydrophobicContact CG1-SD 4.27Å; I80-M92 HydrophobicContact CG2-CG 3.96Å; I80-M92 HydrophobicContact CG2-SD 4.43Å; V83-M92 HydrophobicContact CB-CE 3.73Å; V83-M92 HydrophobicContact CG1-CE 3.36Å; M92-T124 HydrophobicContact CG-CG2 4.04Å; M92-D125 PolarHBondContact N-OD2 3.43Å; M92-D125 PolarHBondContact O-N 2.73Å; M92-E126 PolarHBondContact O-N 2.81Å
93	N	93.9	Very high	89.3	Confident	5 Å²	5	42 Å²	42	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.3	-180	-75.6	13.6	0	0	0	111.3	F61 Q62 L63 I91 E126 L178	F61-N93 PolarHBondContact O-N 3.05Å; Q62-N93 CarbonylContact C-O 3.49Å; Q62-N93 VanDerWaalsContact CA-O 3.3Å; Q62-N93 WeakPolarHBondContact CA-O 3.34Å; L63-N93 PolarHBondContact N-O 3.37Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.39Å; N93-E126 CarbonylContact C-O 3.53Å; N93-E126 WeakPolarHBondContact CA-O 3.2Å; N93-E126 PolarHBondContact ND2-OE2 3.42Å; N93-E126 WeakPolarHBondContact OD1-CB 3.04Å; N93-L178 WeakPolarHBondContact ND2-CD2 3.44Å
94	T	96.3	Very high	88.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.8	175.9	79	0	0	0	0	112.6	L63 I80 S96 L120 T124 E126 T127 Y128	L63-T94 HydrophobicContact CB-CG2 4.29Å; L63-T94 CarbonylContact O-C 3.58Å; L63-T94 WeakPolarHBondContact O-CA 3.14Å; I80-T94 HydrophobicContact CD1-CG2 3.7Å; T94-S96 PolarHBondContact OG1-OG 2.83Å; T94-L120 HydrophobicContact CG2-CD2 3.98Å; T94-T124 HydrophobicContact CG2-CG2 3.57Å; T94-E126 PolarHBondContact N-O 3.31Å; T94-T127 WeakPolarHBondContact OG1-CG2 3.2Å; T94-T127 PolarHBondContact OG1-OG1 2.82Å; T94-Y128 WeakPolarHBondContact O-CD2 3.36Å; T94-Y128 PolarHBondContact O-N 2.78Å
95	F	96.2	Very high	86.9	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97.5	166	-70.6	-93.3	0	0	0	106.7	Q62 L63 T64 H65 Y128 I130 M161 V164	Q62-F95 HydrophobicContact CG-CD2 3.76Å; Q62-F95 HydrophobicContact CG-CE2 3.66Å; Q62-F95 VanDerWaalsContact NE2-CD2 3.28Å; L63-F95 PolarHBondContact O-N 2.89Å; T64-F95 HydrophobicContact CG2-CB 4.13Å; H65-F95 PolarHBondContact N-O 2.83Å; H65-F95 VanDerWaalsContact N-O 3.1Å; F95-Y128 HydrophobicContact CD1-CD2 4.19Å; F95-Y128 HydrophobicContact CD1-CG 4.05Å; F95-Y128 HydrophobicContact CD2-CD2 4.37Å; F95-Y128 HydrophobicContact CE1-CD1 4.25Å; F95-Y128 AromaticContact CE1-CD2 3.76Å; F95-Y128 HydrophobicContact CE1-CD2 3.76Å; F95-Y128 HydrophobicContact CE1-CE2 4.44Å; F95-Y128 AromaticContact CE1-CG 3.68Å; F95-Y128 HydrophobicContact CE1-CG 3.68Å; F95-Y128 AromaticContact CE2-CD2 3.87Å; F95-Y128 HydrophobicContact CE2-CD2 3.87Å; F95-Y128 HydrophobicContact CE2-CE2 4.24Å; F95-Y128 HydrophobicContact CG-CD2 4.5Å; F95-Y128 AromaticContact CZ-CD2 3.6Å; F95-Y128 HydrophobicContact CZ-CD2 3.6Å; F95-Y128 AromaticContact CZ-CE2 3.93Å; F95-Y128 HydrophobicContact CZ-CE2 3.93Å; F95-Y128 HydrophobicContact CZ-CG 4.01Å; F95-I130 HydrophobicContact CB-CD1 4.39Å; F95-I130 HydrophobicContact CD1-CD1 4.17Å; F95-M161 HydrophobicContact CD1-CG 3.58Å; F95-M161 HydrophobicContact CD1-SD 4.41Å; F95-M161 HydrophobicContact CD2-CE 4.19Å; F95-M161 HydrophobicContact CE1-CB 4.38Å; F95-M161 HydrophobicContact CE1-CG 3.67Å; F95-M161 HydrophobicContact CG-CE 4.15Å; F95-M161 HydrophobicContact CG-CG 4.13Å; F95-M161 HydrophobicContact CG-SD 4.45Å; F95-M161 HydrophobicContact CZ-CG 4.34Å; F95-V164 HydrophobicContact CZ-CB 4.39Å; F95-V164 HydrophobicContact CZ-CG1 4.15Å
96	S	95.6	Very high	86.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.8	-168.1	-69.5	0	0	0	0	110.1	H65 T94 V98 Y128 I130	H65-S96 PolarHBondContact CD2-OG 3.25Å; H65-S96 PolarHBondContact NE2-OG 3.24Å; T94-S96 PolarHBondContact OG1-OG 2.83Å; S96-V98 PolarHBondContact O-N 2.85Å; S96-Y128 PolarHBondContact N-O 2.72Å; S96-I130 PolarHBondContact O-N 3.15Å
97	V	93.9	Very high	86	Confident	31 Å²	31	44.6 Å²	44.6	19%	0.188	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.4	176.1	-175.1	0	0	0	0	109.5	H65 L67 I130 N132	H65-V97 PolarHBondContact O-N 3.46Å; L67-V97 PolarHBondContact N-O 2.92Å; V97-I130 CarbonylContact C-O 3.6Å; V97-I130 VanDerWaalsContact CA-O 3.26Å; V97-I130 WeakPolarHBondContact CA-O 3.47Å; V97-I130 HydrophobicContact CG2-CB 4.33Å; V97-I130 HydrophobicContact CG2-CG2 4.33Å; V97-N132 WeakPolarHBondContact CG1-OD1 3.45Å
98	V	90.1	Very high	85.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.1	179.4	-178	0	0	0	0	109.1	L67 S96 I130 N132 L305 I309	L67-V98 HydrophobicContact CD1-CG2 4.24Å; S96-V98 PolarHBondContact O-N 2.85Å; V98-I130 PolarHBondContact N-O 3.22Å; V98-N132 PolarHBondContact O-N 2.84Å; V98-L305 HydrophobicContact CB-CD1 4.3Å; V98-L305 HydrophobicContact CG1-CD1 4.11Å; V98-L305 HydrophobicContact CG1-CD2 3.99Å; V98-L305 HydrophobicContact CG1-CG 4.12Å; V98-L305 HydrophobicContact CG2-CD1 4.09Å; V98-L305 HydrophobicContact CG2-CD2 4.07Å; V98-I309 HydrophobicContact CG1-CD1 3.61Å; V98-I309 HydrophobicContact CG1-CG1 4.39Å
99	P	85.9	Confident	85.8	Confident	15 Å²	15	40.2 Å²	40.2	10%	0.097	22%	0.216	C	C	.	.			trans	-65.4	154.3	178.1	26	-33.8	0	0	0	112.5	E109 A113	P99-E109 HydrophobicContact CB-CB 3.71Å; P99-E109 HydrophobicContact CB-CG 4.23Å; P99-E109 WeakPolarHBondContact CB-OE2 3.38Å; P99-E109 HydrophobicContact CG-CB 4.01Å; P99-A113 HydrophobicContact CG-CB 3.89Å
100	S	80	Confident	86	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	19%	0.187	C	C	.	.			trans	-140.4	134.8	172.2	176	0	0	0	0	110.8	K102 V103 S104 E133	S100-K102 PolarHBondContact O-N 3.46Å; S100-K102 VanDerWaalsContact O-N 3.09Å; S100-K102 PolarHBondContact OG-N 2.9Å; S100-V103 PolarHBondContact O-N 3.36Å; S100-S104 PolarHBondContact O-N 3.45Å; S100-S104 VanDerWaalsContact O-N 3.14Å; S100-E133 WeakPolarHBondContact OG-CB 3.22Å; S100-E133 PolarHBondContact OG-OE2 3.2Å
101	P	70.4	Confident	86.1	Confident	77 Å²	77	30.3 Å²	30.3	50%	0.5	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.7	175	-20.8	30.7	0	0	0	114.3	V103 Q312	P101-V103 VanDerWaalsContact C-N 3.33Å; P101-Q312 VanDerWaalsContact CG-NE2 3.35Å
102	K	72.4	Confident	86.2	Confident	105 Å²	105	30 Å²	30	46%	0.457	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.1	177.5	-68.8	-175.2	-174.3	153.1	0	113	S100 E133 D137	S100-K102 PolarHBondContact O-N 3.46Å; S100-K102 VanDerWaalsContact O-N 3.09Å; S100-K102 PolarHBondContact OG-N 2.9Å; K102-E133 HydrophobicContact CD-CG 4.05Å; K102-E133 WeakPolarHBondContact CE-OE1 3.49Å; K102-E133 IonicContact NZ-OE1 2.9Å; K102-E133 PolarHBondContact NZ-OE1 2.79Å; K102-D137 IonicContact NZ-OD2 2.73Å; K102-D137 PolarHBondContact NZ-OD2 2.87Å; K102-D137 VanDerWaalsContact NZ-OD2 3.1Å
103	V	69.8	Low	86.2	Confident	29 Å²	29	29.8 Å²	29.8	18%	0.176	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-25.8	-168.4	-179.3	0	0	0	0	112.1	S100 P101 N132 Y136 Y150 L153	S100-V103 PolarHBondContact O-N 3.36Å; P101-V103 VanDerWaalsContact C-N 3.33Å; V103-N132 HydrophobicContact CB-CB 4.09Å; V103-N132 HydrophobicContact CG1-CB 4.21Å; V103-N132 HydrophobicContact CG2-CB 4.01Å; V103-Y136 HydrophobicContact CG2-CD2 4.26Å; V103-Y136 HydrophobicContact CG2-CG 4.36Å; V103-Y150 HydrophobicContact CG1-CE1 3.94Å; V103-Y150 PolarHBondContact O-OH 3.37Å; V103-L153 HydrophobicContact CG1-CD1 4.47Å
104	S	68.8	Low	86.2	Confident	27 Å²	27	29.6 Å²	29.6	19%	0.189	17%	0.167	C	C	.	.			trans	-126.4	140.1	-179.5	-171.8	0	0	0	0	112.7	S100 T106 E109	S100-S104 PolarHBondContact O-N 3.45Å; S100-S104 VanDerWaalsContact O-N 3.14Å; S104-T106 PolarHBondContact OG-N 3.21Å; S104-E109 WeakPolarHBondContact CB-OE1 3.33Å; S104-E109 WeakPolarHBondContact CB-OE2 3.38Å; S104-E109 VanDerWaalsContact OG-CD 3.27Å; S104-E109 PolarHBondContact OG-OE1 2.82Å
105	D	68.8	Low	86.2	Confident	164 Å²	164	29.8 Å²	29.8	88%	0.877	17%	0.168	S	C	*	.			trans	-90.2	0.3	176.5	-63.4	-43.6	0	0	0	112.7	V107	D105-V107 PolarHBondContact O-N 2.84Å
106	T	82.2	Confident	86.2	Confident	43 Å²	43	29.5 Å²	29.5	26%	0.264	17%	0.166	S	C	.	.			trans	-78.1	119.4	-176.9	-58.8	0	0	0	0	110.5	N27 S104 V108 E109	N27-T106 HydrophobicContact CB-CG2 4.02Å; N27-T106 PolarHBondContact ND2-OG1 3Å; S104-T106 PolarHBondContact OG-N 3.21Å; T106-V108 HydrophobicContact CG2-CG2 3.69Å; T106-V108 PolarHBondContact O-N 2.85Å; T106-E109 HydrophobicContact CG2-CG 3.91Å; T106-E109 WeakPolarHBondContact O-CG 3.3Å
107	V	85.7	Confident	86.1	Confident	83 Å²	83	29.6 Å²	29.6	50%	0.503	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.4	-175.7	-62.2	0	0	0	0	114	D105 M316 F322	D105-V107 PolarHBondContact O-N 2.84Å; V107-M316 VanDerWaalsContact O-CE 3.29Å; V107-M316 WeakPolarHBondContact O-CE 3.41Å; V107-F322 HydrophobicContact CB-CE2 4.48Å; V107-F322 HydrophobicContact CG2-CD2 4.09Å; V107-F322 HydrophobicContact CG2-CE2 3.54Å; V107-F322 HydrophobicContact CG2-CZ 3.81Å
108	V	91.6	Very high	86.2	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.024	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.5	-174.6	-61.9	0	0	0	0	114.5	N27 T106 P110 Y111 N112 F322 W325	N27-V108 HydrophobicContact CB-CG2 4.25Å; N27-V108 WeakPolarHBondContact O-CG2 3.37Å; T106-V108 HydrophobicContact CG2-CG2 3.69Å; T106-V108 PolarHBondContact O-N 2.85Å; V108-P110 VanDerWaalsContact C-CD 3.47Å; V108-Y111 HydrophobicContact CB-CD2 4.46Å; V108-Y111 WeakPolarHBondContact O-CB 3.38Å; V108-Y111 PolarHBondContact O-N 3.19Å; V108-Y111 VanDerWaalsContact O-N 3.11Å; V108-N112 PolarHBondContact O-N 3.42Å; V108-F322 HydrophobicContact CG1-CB 3.8Å; V108-F322 HydrophobicContact CG1-CD2 4.1Å; V108-F322 HydrophobicContact CG1-CG 3.9Å; V108-W325 HydrophobicContact CG1-CE3 4.45Å; V108-W325 HydrophobicContact CG1-CZ3 4.33Å
109	E	91.4	Very high	86.4	Confident	23 Å²	23	31.3 Å²	31.3	11%	0.107	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-38	-178.2	-62.4	-175.4	154.4	0	0	114.6	P99 S104 T106 Y111 N112 A113	P99-E109 HydrophobicContact CB-CB 3.71Å; P99-E109 HydrophobicContact CB-CG 4.23Å; P99-E109 WeakPolarHBondContact CB-OE2 3.38Å; P99-E109 HydrophobicContact CG-CB 4.01Å; S104-E109 WeakPolarHBondContact CB-OE1 3.33Å; S104-E109 WeakPolarHBondContact CB-OE2 3.38Å; S104-E109 VanDerWaalsContact OG-CD 3.27Å; S104-E109 PolarHBondContact OG-OE1 2.82Å; T106-E109 HydrophobicContact CG2-CG 3.91Å; T106-E109 WeakPolarHBondContact O-CG 3.3Å; E109-Y111 VanDerWaalsContact C-N 3.29Å; E109-Y111 PolarHBondContact O-N 3.08Å; E109-N112 PolarHBondContact O-N 2.93Å; E109-A113 WeakPolarHBondContact O-CB 3.32Å; E109-A113 PolarHBondContact O-N 3.37Å
110	P	93	Very high	86.8	Confident	11 Å²	11	30.6 Å²	30.6	7%	0.071	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-35.4	176.5	-23.9	33.7	0	0	0	113.1	V108 T114 Q312 F313 M316	V108-P110 VanDerWaalsContact C-CD 3.47Å; P110-T114 WeakPolarHBondContact O-CB 3.13Å; P110-T114 PolarHBondContact O-N 3.42Å; P110-T114 PolarHBondContact O-OG1 3.39Å; P110-T114 VanDerWaalsContact O-OG1 3.04Å; P110-Q312 HydrophobicContact CB-CB 3.91Å; P110-Q312 HydrophobicContact CG-CB 3.67Å; P110-F313 HydrophobicContact CB-CB 4.3Å; P110-M316 HydrophobicContact CB-CE 3.69Å; P110-M316 HydrophobicContact CG-CE 3.68Å
111	Y	94.6	Very high	87.5	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-52.2	173.7	-72.3	-52.4	0	0	0	111	V108 E109 A113 T114 L115 F313 M316 F317 A321 Y326 F336	V108-Y111 HydrophobicContact CB-CD2 4.46Å; V108-Y111 WeakPolarHBondContact O-CB 3.38Å; V108-Y111 PolarHBondContact O-N 3.19Å; V108-Y111 VanDerWaalsContact O-N 3.11Å; E109-Y111 VanDerWaalsContact C-N 3.29Å; E109-Y111 PolarHBondContact O-N 3.08Å; Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 2.95Å; Y111-T114 PolarHBondContact O-N 3.46Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.41Å; Y111-L115 PolarHBondContact O-N 2.85Å; Y111-L115 VanDerWaalsContact O-N 3.1Å; Y111-F313 AromaticContact CD1-CD2 3.57Å; Y111-F313 HydrophobicContact CD1-CD2 3.57Å; Y111-F313 AromaticContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CE2 3.43Å; Y111-F313 VanDerWaalsContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CG 4.49Å; Y111-F313 HydrophobicContact CD1-CZ 4.21Å; Y111-F313 HydrophobicContact CE1-CD2 4.13Å; Y111-F313 AromaticContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CZ 4.36Å; Y111-F313 HydrophobicContact CG-CD2 4.49Å; Y111-M316 HydrophobicContact CD2-CE 3.64Å; Y111-M316 HydrophobicContact CD2-SD 4.46Å; Y111-M316 HydrophobicContact CE1-CB 4.36Å; Y111-M316 HydrophobicContact CE2-CB 3.97Å; Y111-M316 HydrophobicContact CE2-CE 3.77Å; Y111-M316 HydrophobicContact CE2-SD 4.13Å; Y111-M316 HydrophobicContact CG-CE 4.08Å; Y111-M316 PolarHBondContact OH-O 3.1Å; Y111-F317 HydrophobicContact CE1-CB 4.03Å; Y111-F317 HydrophobicContact CE1-CD2 4.14Å; Y111-F317 WeakPolarHBondContact OH-CA 3.05Å; Y111-F317 PolarHBondContact OH-N 2.71Å; Y111-A321 VanDerWaalsContact CE2-O 3.23Å; Y111-A321 WeakPolarHBondContact CE2-O 3.38Å; Y111-A321 PolarHBondContact OH-O 3.47Å; Y111-Y326 WeakPolarHBondContact CB-OH 3.32Å; Y111-Y326 HydrophobicContact CD2-CE2 4.07Å; Y111-Y326 HydrophobicContact CG-CE2 4.44Å; Y111-F336 AromaticContact CD1-CD1 3.83Å; Y111-F336 HydrophobicContact CD1-CD1 3.83Å; Y111-F336 AromaticContact CD1-CE1 3.64Å; Y111-F336 HydrophobicContact CD1-CE1 3.64Å; Y111-F336 HydrophobicContact CE1-CD1 4.15Å; Y111-F336 HydrophobicContact CE1-CE1 4.17Å; Y111-F336 HydrophobicContact CG-CE1 4.09Å
112	N	94.8	Very high	88.5	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-40.3	-179.7	-61.9	-30.6	0	0	0	111.6	N27 W29 L67 G68 G69 V108 E109 S116 Y326	N27-N112 PolarHBondContact O-ND2 2.9Å; W29-N112 HydrophobicContact CB-CB 4.24Å; W29-N112 WeakPolarHBondContact CB-OD1 3.49Å; W29-N112 PolarHBondContact N-OD1 2.88Å; L67-N112 CarbonylContact O-C 3.54Å; L67-N112 VanDerWaalsContact O-CB 3.29Å; L67-N112 WeakPolarHBondContact O-CB 3.47Å; G68-N112 PolarHBondContact O-ND2 2.88Å; G69-N112 VanDerWaalsContact O-CB 3.3Å; G69-N112 WeakPolarHBondContact O-CB 3.3Å; G69-N112 PolarHBondContact O-ND2 3.21Å; V108-N112 PolarHBondContact O-N 3.42Å; E109-N112 PolarHBondContact O-N 2.93Å; N112-S116 VanDerWaalsContact O-CB 3.31Å; N112-S116 WeakPolarHBondContact O-CB 3.19Å; N112-S116 PolarHBondContact O-N 3.24Å; N112-S116 PolarHBondContact O-OG 3.05Å; N112-Y326 PolarHBondContact OD1-OH 3.44Å
113	A	94.3	Very high	89.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-46.5	-179.8	0	0	0	0	0	112.5	L67 P99 E109 Y111 L115 S116 I117 I309	L67-A113 HydrophobicContact CB-CB 4.18Å; L67-A113 PolarHBondContact O-N 3.28Å; P99-A113 HydrophobicContact CG-CB 3.89Å; E109-A113 WeakPolarHBondContact O-CB 3.32Å; E109-A113 PolarHBondContact O-N 3.37Å; Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 2.95Å; A113-L115 PolarHBondContact O-N 3.43Å; A113-S116 PolarHBondContact O-N 3.06Å; A113-I117 WeakPolarHBondContact O-CB 3.41Å; A113-I117 WeakPolarHBondContact O-CD1 3.36Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.41Å; A113-I117 PolarHBondContact O-N 2.94Å; A113-I309 HydrophobicContact CB-CD1 4.48Å; A113-I309 HydrophobicContact CB-CG2 3.97Å
114	T	94.9	Very high	90.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-47.2	178.4	-62.7	0	0	0	0	111.5	P110 Y111 S116 I117 H118 F313 A339 M343	P110-T114 WeakPolarHBondContact O-CB 3.13Å; P110-T114 PolarHBondContact O-N 3.42Å; P110-T114 PolarHBondContact O-OG1 3.39Å; P110-T114 VanDerWaalsContact O-OG1 3.04Å; Y111-T114 PolarHBondContact O-N 3.46Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.06Å; T114-I117 PolarHBondContact O-N 2.81Å; T114-H118 PolarHBondContact O-N 3.26Å; T114-H118 VanDerWaalsContact O-N 3.12Å; T114-F313 VanDerWaalsContact CB-CD2 3.5Å; T114-F313 HydrophobicContact CG2-CD2 3.83Å; T114-F313 HydrophobicContact CG2-CE2 3.77Å; T114-F313 HydrophobicContact CG2-CG 4.29Å; T114-F313 HydrophobicContact CG2-CZ 4.26Å; T114-F313 VanDerWaalsContact OG1-CD2 3.28Å; T114-F313 WeakPolarHBondContact OG1-CD2 3.29Å; T114-A339 HydrophobicContact CG2-CB 4.05Å; T114-M343 HydrophobicContact CG2-CE 4.14Å
115	L	95.6	Very high	91.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.4	-64.3	174.1	0	0	0	112	W29 Y111 A113 Q119 Y326 M331 F336 A339	W29-L115 HydrophobicContact CB-CD1 4.23Å; W29-L115 HydrophobicContact CD2-CB 3.83Å; W29-L115 HydrophobicContact CD2-CD1 3.89Å; W29-L115 HydrophobicContact CE3-CB 4.24Å; W29-L115 HydrophobicContact CE3-CD1 3.71Å; W29-L115 HydrophobicContact CG-CB 4.12Å; W29-L115 HydrophobicContact CG-CD1 4.12Å; W29-L115 HydrophobicContact CZ2-CB 4.22Å; W29-L115 HydrophobicContact CZ3-CD1 4.37Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.41Å; Y111-L115 PolarHBondContact O-N 2.85Å; Y111-L115 VanDerWaalsContact O-N 3.1Å; A113-L115 PolarHBondContact O-N 3.43Å; L115-Q119 PolarHBondContact O-N 3.41Å; L115-Y326 HydrophobicContact CD1-CD1 4.4Å; L115-Y326 HydrophobicContact CD1-CE1 4.36Å; L115-M331 HydrophobicContact CD1-CE 3.64Å; L115-M331 HydrophobicContact CD1-SD 4.06Å; L115-M331 HydrophobicContact CD2-CE 3.41Å; L115-M331 VanDerWaalsContact CD2-CE 3.41Å; L115-M331 HydrophobicContact CG-CE 4.13Å; L115-F336 HydrophobicContact CD1-CE1 3.91Å; L115-F336 HydrophobicContact CD1-CZ 4.08Å; L115-F336 HydrophobicContact CD2-CD1 4.41Å; L115-F336 HydrophobicContact CG-CE1 4.48Å; L115-A339 HydrophobicContact CD2-CB 3.72Å
116	S	95.7	Very high	93	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.7	-42.1	179.2	-56.9	0	0	0	0	112.7	W29 S73 N112 A113 T114 H118 Q119 L120	W29-S116 VanDerWaalsContact CD1-OG 3.28Å; W29-S116 PolarHBondContact NE1-OG 2.87Å; S73-S116 VanDerWaalsContact CB-OG 3.22Å; S73-S116 WeakPolarHBondContact CB-OG 3.24Å; N112-S116 VanDerWaalsContact O-CB 3.31Å; N112-S116 WeakPolarHBondContact O-CB 3.19Å; N112-S116 PolarHBondContact O-N 3.24Å; N112-S116 PolarHBondContact O-OG 3.05Å; A113-S116 PolarHBondContact O-N 3.06Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.06Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.35Å; S116-Q119 WeakPolarHBondContact O-CB 3.21Å; S116-Q119 PolarHBondContact O-N 3.08Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; S116-L120 VanDerWaalsContact O-CG 3.32Å; S116-L120 WeakPolarHBondContact O-CG 3.46Å; S116-L120 PolarHBondContact O-N 3.01Å
117	I	94.5	Very high	93.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-39.9	-180	-70.7	161.7	0	0	0	110.2	L67 A113 T114 Q119 L120 V121 F193 F306 I309 M343 L346	L67-I117 HydrophobicContact CD1-CD1 4.26Å; L67-I117 HydrophobicContact CD1-CG1 3.91Å; A113-I117 WeakPolarHBondContact O-CB 3.41Å; A113-I117 WeakPolarHBondContact O-CD1 3.36Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.41Å; A113-I117 PolarHBondContact O-N 2.94Å; T114-I117 PolarHBondContact O-N 2.81Å; I117-Q119 PolarHBondContact O-N 2.99Å; I117-L120 PolarHBondContact O-N 3.25Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.27Å; I117-V121 WeakPolarHBondContact O-CG2 3.43Å; I117-V121 PolarHBondContact O-N 3.2Å; I117-F193 HydrophobicContact CG2-CZ 4.25Å; I117-F306 HydrophobicContact CD1-CD1 3.98Å; I117-F306 HydrophobicContact CD1-CE1 3.85Å; I117-F306 HydrophobicContact CG1-CE1 4.32Å; I117-F306 HydrophobicContact CG2-CD1 4.33Å; I117-F306 HydrophobicContact CG2-CE1 3.86Å; I117-I309 HydrophobicContact CD1-CD1 3.83Å; I117-M343 HydrophobicContact CB-CE 3.41Å; I117-M343 VanDerWaalsContact CB-CE 3.41Å; I117-M343 HydrophobicContact CB-SD 4.4Å; I117-M343 HydrophobicContact CD1-CE 3.63Å; I117-M343 HydrophobicContact CD1-SD 4.35Å; I117-M343 HydrophobicContact CG1-CE 4.09Å; I117-M343 HydrophobicContact CG2-CE 3.37Å; I117-M343 HydrophobicContact CG2-SD 3.73Å; I117-L346 HydrophobicContact CG2-CD2 4.43Å
118	H	94.8	Very high	94.2	Very high	35 Å²	35	14.8 Å²	14.8	16%	0.162	7%	0.074	C	C	.	.	H	α-helix	trans	-53.1	-43.7	173.5	163	60.6	0	0	0	111.9	T114 S116 E122 A339 N342	T114-H118 PolarHBondContact O-N 3.26Å; T114-H118 VanDerWaalsContact O-N 3.12Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.35Å; H118-E122 IonicContact CE1-OE1 3.4Å; H118-A339 HydrophobicContact CB-CB 3.93Å; H118-N342 PolarHBondContact ND1-ND2 3.32Å
119	Q	94.9	Very high	94.3	Very high	34 Å²	34	14.8 Å²	14.8	16%	0.159	7%	0.074	C	C	.	.	H	α-helix	trans	-71.3	-33.5	175.9	-65.3	-64.3	-42.2	0	0	113.7	W29 T77 L115 S116 I117 N123	W29-Q119 HydrophobicContact CZ2-CG 4.18Å; T77-Q119 HydrophobicContact CG2-CB 3.74Å; T77-Q119 HydrophobicContact CG2-CG 4.41Å; L115-Q119 PolarHBondContact O-N 3.41Å; S116-Q119 WeakPolarHBondContact O-CB 3.21Å; S116-Q119 PolarHBondContact O-N 3.08Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; I117-Q119 PolarHBondContact O-N 2.99Å; Q119-N123 WeakPolarHBondContact O-CB 3.21Å; Q119-N123 PolarHBondContact O-N 3.4Å; Q119-N123 VanDerWaalsContact O-N 3.17Å; Q119-N123 PolarHBondContact O-ND2 2.77Å; Q119-N123 PolarHBondContact OE1-ND2 3.29Å
120	L	95	Very high	94.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.9	-37.5	178.9	-69	171.3	0	0	0	112.3	L67 I80 T94 S116 I117 E122 N123 T124 T127 H192 F193	L67-L120 HydrophobicContact CD1-CD1 4.22Å; L67-L120 HydrophobicContact CD2-CD1 3.71Å; I80-L120 HydrophobicContact CD1-CD2 3.64Å; T94-L120 HydrophobicContact CG2-CD2 3.98Å; S116-L120 VanDerWaalsContact O-CG 3.32Å; S116-L120 WeakPolarHBondContact O-CG 3.46Å; S116-L120 PolarHBondContact O-N 3.01Å; I117-L120 PolarHBondContact O-N 3.25Å; L120-E122 PolarHBondContact O-N 3.18Å; L120-N123 PolarHBondContact O-N 3.49Å; L120-T124 HydrophobicContact CB-CG2 4.45Å; L120-T124 HydrophobicContact CD2-CG2 3.53Å; L120-T124 PolarHBondContact O-N 3.07Å; L120-T124 PolarHBondContact O-OG1 2.99Å; L120-T127 HydrophobicContact CD1-CG2 4.46Å; L120-H192 PolarHBondContact O-NE2 3.27Å; L120-F193 HydrophobicContact CB-CE1 4.28Å; L120-F193 HydrophobicContact CB-CZ 4.25Å
121	V	94.4	Very high	94.3	Very high	9 Å²	9	13.3 Å²	13.3	6%	0.055	7%	0.066	C	C	.	.	H	α-helix	trans	-56.9	-33.4	178.8	171.7	0	0	0	0	112	I117 R190 H192 F193 L346	I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.27Å; I117-V121 WeakPolarHBondContact O-CG2 3.43Å; I117-V121 PolarHBondContact O-N 3.2Å; V121-R190 HydrophobicContact CG1-CB 4.25Å; V121-R190 HydrophobicContact CG1-CG 4.11Å; V121-H192 PolarHBondContact O-CE1 3.27Å; V121-H192 VanDerWaalsContact O-CE1 3.31Å; V121-F193 HydrophobicContact CG2-CE2 3.75Å; V121-F193 HydrophobicContact CG2-CZ 3.72Å; V121-L346 HydrophobicContact CG2-CD2 3.79Å
122	E	90.8	Very high	94	Very high	120 Å²	120	14.6 Å²	14.6	56%	0.561	7%	0.073	S	C	*	.	H	α-helix	trans	-97.6	-33.7	-175.6	-64.1	-179.7	-177	0	0	112.9	H118 L120	H118-E122 IonicContact CE1-OE1 3.4Å; L120-E122 PolarHBondContact O-N 3.18Å
123	N	93.8	Very high	93.7	Very high	25 Å²	25	16.2 Å²	16.2	13%	0.134	8%	0.08	C	C	.	.	H	α-helix	trans	-107.2	-1.6	-166.1	-59.5	-69.3	0	0	0	114.8	I80 Q119 L120	I80-N123 HydrophobicContact CG2-CB 3.55Å; I80-N123 WeakPolarHBondContact CG2-O 3.21Å; Q119-N123 WeakPolarHBondContact O-CB 3.21Å; Q119-N123 PolarHBondContact O-N 3.4Å; Q119-N123 VanDerWaalsContact O-N 3.17Å; Q119-N123 PolarHBondContact O-ND2 2.77Å; Q119-N123 PolarHBondContact OE1-ND2 3.29Å; L120-N123 PolarHBondContact O-N 3.49Å
124	T	94.6	Very high	93.5	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.043	8%	0.084	C	C	.	.			trans	-118.7	146.6	-179.6	71	0	0	0	0	112.7	I80 M92 T94 L120 T127 H192	I80-T124 HydrophobicContact CD1-CG2 4.05Å; I80-T124 HydrophobicContact CG2-CG2 3.8Å; M92-T124 HydrophobicContact CG-CG2 4.04Å; T94-T124 HydrophobicContact CG2-CG2 3.57Å; L120-T124 HydrophobicContact CB-CG2 4.45Å; L120-T124 HydrophobicContact CD2-CG2 3.53Å; L120-T124 PolarHBondContact O-N 3.07Å; L120-T124 PolarHBondContact O-OG1 2.99Å; T124-T127 PolarHBondContact OG1-OG1 3.38Å; T124-H192 PolarHBondContact O-CE1 3.42Å; T124-H192 PolarHBondContact O-NE2 3.46Å; T124-H192 PolarHBondContact OG1-CD2 2.9Å; T124-H192 PolarHBondContact OG1-NE2 3.2Å
125	D	93.8	Very high	93.3	Very high	35 Å²	35	16.6 Å²	16.6	19%	0.187	8%	0.084	C	C	.	.	S	Bend	trans	-92.9	-31	176.9	-55.7	-65.7	0	0	0	111.2	R84 I91 M92 H192	R84-D125 IonicContact CZ-OD1 3.98Å; R84-D125 IonicContact CZ-OD2 3.19Å; R84-D125 IonicContact NH1-OD1 3.82Å; R84-D125 PolarHBondContact NH1-OD1 3.36Å; R84-D125 IonicContact NH1-OD2 2.63Å; R84-D125 PolarHBondContact NH1-OD2 3.38Å; R84-D125 IonicContact NH2-OD1 3.68Å; R84-D125 PolarHBondContact NH2-OD1 3.29Å; R84-D125 IonicContact NH2-OD2 3.67Å; I91-D125 VanDerWaalsContact CA-OD2 3.3Å; I91-D125 WeakPolarHBondContact CA-OD2 3.25Å; I91-D125 HydrophobicContact CD1-CB 4.28Å; I91-D125 HydrophobicContact CG2-CB 4.33Å; M92-D125 PolarHBondContact N-OD2 3.43Å; M92-D125 PolarHBondContact O-N 2.73Å; D125-H192 VanDerWaalsContact O-CB 3.23Å; D125-H192 WeakPolarHBondContact O-CB 3.3Å
126	E	93.6	Very high	93	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.1	175.6	-57.5	-179	175.3	0	0	111.1	M92 N93 T94 Y128 A182 F194	M92-E126 PolarHBondContact O-N 2.81Å; N93-E126 CarbonylContact C-O 3.53Å; N93-E126 WeakPolarHBondContact CA-O 3.2Å; N93-E126 PolarHBondContact ND2-OE2 3.42Å; N93-E126 WeakPolarHBondContact OD1-CB 3.04Å; T94-E126 PolarHBondContact N-O 3.31Å; E126-Y128 HydrophobicContact CB-CE2 4.19Å; E126-Y128 PolarHBondContact OE2-OH 3.26Å; E126-A182 HydrophobicContact CG-CB 4.13Å; E126-A182 WeakPolarHBondContact OE1-CA 3.42Å; E126-A182 WeakPolarHBondContact OE1-CB 3.26Å; E126-A182 PolarHBondContact OE1-N 3.09Å; E126-F194 HydrophobicContact CB-CD2 4.37Å; E126-F194 HydrophobicContact CB-CE2 3.68Å; E126-F194 HydrophobicContact CB-CZ 4.45Å; E126-F194 HydrophobicContact CG-CE2 3.71Å; E126-F194 HydrophobicContact CG-CZ 4.19Å
127	T	95.8	Very high	92.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.7	174.6	-72.6	0	0	0	0	110.9	T94 L120 T124 C129 H192 F193 F194	T94-T127 WeakPolarHBondContact OG1-CG2 3.2Å; T94-T127 PolarHBondContact OG1-OG1 2.82Å; L120-T127 HydrophobicContact CD1-CG2 4.46Å; T124-T127 PolarHBondContact OG1-OG1 3.38Å; T127-C129 PolarHBondContact O-N 3.01Å; T127-H192 PolarHBondContact N-O 3.02Å; T127-F193 HydrophobicContact CG2-CD1 3.57Å; T127-F193 HydrophobicContact CG2-CE1 3.75Å; T127-F193 CarbonylContact O-C 3.57Å; T127-F193 WeakPolarHBondContact O-CA 3.06Å; T127-F194 PolarHBondContact O-N 2.87Å
128	Y	95.6	Very high	92.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.9	174.3	-61.9	-90.1	0	0	0	109.3	T94 F95 S96 E126 I130 V164 L181 F194 I296	T94-Y128 WeakPolarHBondContact O-CD2 3.36Å; T94-Y128 PolarHBondContact O-N 2.78Å; F95-Y128 HydrophobicContact CD1-CD2 4.19Å; F95-Y128 HydrophobicContact CD1-CG 4.05Å; F95-Y128 HydrophobicContact CD2-CD2 4.37Å; F95-Y128 HydrophobicContact CE1-CD1 4.25Å; F95-Y128 AromaticContact CE1-CD2 3.76Å; F95-Y128 HydrophobicContact CE1-CD2 3.76Å; F95-Y128 HydrophobicContact CE1-CE2 4.44Å; F95-Y128 AromaticContact CE1-CG 3.68Å; F95-Y128 HydrophobicContact CE1-CG 3.68Å; F95-Y128 AromaticContact CE2-CD2 3.87Å; F95-Y128 HydrophobicContact CE2-CD2 3.87Å; F95-Y128 HydrophobicContact CE2-CE2 4.24Å; F95-Y128 HydrophobicContact CG-CD2 4.5Å; F95-Y128 AromaticContact CZ-CD2 3.6Å; F95-Y128 HydrophobicContact CZ-CD2 3.6Å; F95-Y128 AromaticContact CZ-CE2 3.93Å; F95-Y128 HydrophobicContact CZ-CE2 3.93Å; F95-Y128 HydrophobicContact CZ-CG 4.01Å; S96-Y128 PolarHBondContact N-O 2.72Å; E126-Y128 HydrophobicContact CB-CE2 4.19Å; E126-Y128 PolarHBondContact OE2-OH 3.26Å; Y128-I130 PolarHBondContact O-N 3.39Å; Y128-V164 HydrophobicContact CD1-CG1 4.49Å; Y128-V164 HydrophobicContact CD1-CG2 4.21Å; Y128-V164 HydrophobicContact CE1-CB 4.42Å; Y128-V164 HydrophobicContact CE1-CG1 3.61Å; Y128-V164 HydrophobicContact CE1-CG2 3.88Å; Y128-V164 HydrophobicContact CE2-CG1 4.19Å; Y128-V164 VanDerWaalsContact CZ-CG1 3.47Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.36Å; Y128-L181 WeakPolarHBondContact OH-CD2 3.28Å; Y128-F194 HydrophobicContact CD1-CB 4.26Å; Y128-F194 HydrophobicContact CD1-CD2 4.14Å; Y128-F194 AromaticContact CE1-CD2 3.77Å; Y128-F194 HydrophobicContact CE1-CD2 3.77Å; Y128-F194 HydrophobicContact CE2-CD2 4.44Å; Y128-F194 AromaticContact CZ-CD2 3.9Å; Y128-I296 HydrophobicContact CD1-CG2 4.42Å; Y128-I296 HydrophobicContact CE1-CD1 4.08Å; Y128-I296 HydrophobicContact CE1-CG1 4.25Å; Y128-I296 HydrophobicContact CE1-CG2 3.8Å
129	C	94.6	Very high	92.2	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.027	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	112.5	179	-68.3	0	0	0	0	110.5	T127 F194 P196 I302	T127-C129 PolarHBondContact O-N 3.01Å; C129-F194 WeakPolarHBondContact CB-O 3.29Å; C129-F194 PolarHBondContact N-O 3.35Å; C129-P196 WeakPolarHBondContact O-CD 3.45Å; C129-P196 WeakPolarHBondContact O-CG 3.03Å; C129-I302 HydrophobicContact CB-CD1 4Å
130	I	93.8	Very high	91.9	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.2	176.7	-62.9	176.2	0	0	0	107.9	F95 S96 V97 V98 Y128 L135 V157 P196	F95-I130 HydrophobicContact CB-CD1 4.39Å; F95-I130 HydrophobicContact CD1-CD1 4.17Å; S96-I130 PolarHBondContact O-N 3.15Å; V97-I130 CarbonylContact C-O 3.6Å; V97-I130 VanDerWaalsContact CA-O 3.26Å; V97-I130 WeakPolarHBondContact CA-O 3.47Å; V97-I130 HydrophobicContact CG2-CB 4.33Å; V97-I130 HydrophobicContact CG2-CG2 4.33Å; V98-I130 PolarHBondContact N-O 3.22Å; Y128-I130 PolarHBondContact O-N 3.39Å; I130-L135 HydrophobicContact CG2-CD1 3.53Å; I130-L135 HydrophobicContact CG2-CG 4.21Å; I130-V157 HydrophobicContact CD1-CG1 3.75Å; I130-V157 HydrophobicContact CD1-CG2 4.26Å; I130-V157 HydrophobicContact CG2-CG2 3.72Å; I130-P196 HydrophobicContact CG1-CG 4.26Å
131	D	91.6	Very high	91.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.4	-178.9	-168.6	-13.4	0	0	0	111.2	E133 A134 L135 M228 A230 L305 R308	D131-E133 PolarHBondContact O-N 2.85Å; D131-E133 VanDerWaalsContact OD1-CB 3.23Å; D131-E133 WeakPolarHBondContact OD1-CB 3.31Å; D131-E133 PolarHBondContact OD1-N 3.39Å; D131-A134 HydrophobicContact CB-CB 4.15Å; D131-A134 PolarHBondContact O-N 2.85Å; D131-L135 WeakPolarHBondContact O-CG 3.43Å; D131-L135 PolarHBondContact O-N 2.78Å; D131-M228 PolarHBondContact N-O 3.45Å; D131-A230 WeakPolarHBondContact OD2-CB 3.32Å; D131-A230 PolarHBondContact OD2-N 3.14Å; D131-L305 HydrophobicContact CB-CD1 4.18Å; D131-R308 IonicContact OD1-NH2 2.72Å; D131-R308 IonicContact OD2-CZ 3.79Å; D131-R308 VanDerWaalsContact OD2-CZ 3.28Å; D131-R308 IonicContact OD2-NH1 3.91Å; D131-R308 PolarHBondContact OD2-NH1 3.03Å; D131-R308 IonicContact OD2-NH2 2.84Å; D131-R308 PolarHBondContact OD2-NH2 2.54Å
132	N	88.3	Confident	91.1	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.144	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-30.2	173.9	-80.9	-23.3	0	0	0	112.6	V97 V98 V103 Y136	V97-N132 WeakPolarHBondContact CG1-OD1 3.45Å; V98-N132 PolarHBondContact O-N 2.84Å; V103-N132 HydrophobicContact CB-CB 4.09Å; V103-N132 HydrophobicContact CG1-CB 4.21Å; V103-N132 HydrophobicContact CG2-CB 4.01Å; N132-Y136 VanDerWaalsContact O-CB 3.3Å; N132-Y136 WeakPolarHBondContact O-CB 3.41Å; N132-Y136 PolarHBondContact O-N 3.41Å
133	E	87.6	Confident	90.9	Very high	34 Å²	34	27.6 Å²	27.6	16%	0.159	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-50.6	175.1	-172.2	153.9	-179.3	0	0	111.9	S100 K102 D131 Y136 D137 A230 R308	S100-E133 WeakPolarHBondContact OG-CB 3.22Å; S100-E133 PolarHBondContact OG-OE2 3.2Å; K102-E133 HydrophobicContact CD-CG 4.05Å; K102-E133 WeakPolarHBondContact CE-OE1 3.49Å; K102-E133 IonicContact NZ-OE1 2.9Å; K102-E133 PolarHBondContact NZ-OE1 2.79Å; D131-E133 PolarHBondContact O-N 2.85Å; D131-E133 VanDerWaalsContact OD1-CB 3.23Å; D131-E133 WeakPolarHBondContact OD1-CB 3.31Å; D131-E133 PolarHBondContact OD1-N 3.39Å; E133-Y136 PolarHBondContact O-N 3.1Å; E133-D137 PolarHBondContact O-N 3.43Å; E133-A230 HydrophobicContact CB-CB 4.04Å; E133-A230 HydrophobicContact CG-CB 4.12Å; E133-R308 IonicContact OE2-CZ 3.1Å; E133-R308 IonicContact OE2-NH1 3.28Å; E133-R308 PolarHBondContact OE2-NH1 3.47Å
134	A	90.1	Very high	90.6	Very high	8 Å²	8	34 Å²	34	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-43.6	-179.4	0	0	0	0	0	111.2	D131 Y136 D137 I138 A230	D131-A134 HydrophobicContact CB-CB 4.15Å; D131-A134 PolarHBondContact O-N 2.85Å; A134-Y136 VanDerWaalsContact C-N 3.32Å; A134-Y136 PolarHBondContact O-N 3.01Å; A134-D137 PolarHBondContact O-N 3.37Å; A134-I138 WeakPolarHBondContact O-CB 3.39Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.48Å; A134-I138 PolarHBondContact O-N 2.88Å; A134-A230 HydrophobicContact CB-CB 4.04Å
135	L	90.8	Very high	90.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-42.9	176.1	-67.9	175.8	0	0	0	111.9	I130 D131 I138 C139 L153 L156 V157 M228	I130-L135 HydrophobicContact CG2-CD1 3.53Å; I130-L135 HydrophobicContact CG2-CG 4.21Å; D131-L135 WeakPolarHBondContact O-CG 3.43Å; D131-L135 PolarHBondContact O-N 2.78Å; L135-I138 PolarHBondContact O-N 3.29Å; L135-C139 WeakPolarHBondContact O-CB 3.34Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.98Å; L135-L153 VanDerWaalsContact C-CD2 3.47Å; L135-L153 HydrophobicContact CB-CD2 3.34Å; L135-L153 HydrophobicContact CD1-CB 4.44Å; L135-L153 HydrophobicContact CD1-CD2 4.49Å; L135-L156 HydrophobicContact CD2-CB 3.79Å; L135-L156 HydrophobicContact CD2-CD1 3.93Å; L135-V157 HydrophobicContact CD1-CG2 3.65Å; L135-V157 HydrophobicContact CD2-CG2 4.27Å; L135-M228 HydrophobicContact CD2-SD 3.31Å; L135-M228 WeakPolarHBondContact CD2-SD 3.34Å
136	Y	89.3	Confident	89.7	Confident	72 Å²	72	38.3 Å²	38.3	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-46.7	176.7	-171.3	-86.8	0	0	0	111.4	V103 N132 E133 A134 I138 C139 F140 P148	V103-Y136 HydrophobicContact CG2-CD2 4.26Å; V103-Y136 HydrophobicContact CG2-CG 4.36Å; N132-Y136 VanDerWaalsContact O-CB 3.3Å; N132-Y136 WeakPolarHBondContact O-CB 3.41Å; N132-Y136 PolarHBondContact O-N 3.41Å; E133-Y136 PolarHBondContact O-N 3.1Å; A134-Y136 VanDerWaalsContact C-N 3.32Å; A134-Y136 PolarHBondContact O-N 3.01Å; Y136-I138 VanDerWaalsContact C-N 3.34Å; Y136-I138 PolarHBondContact O-N 2.81Å; Y136-C139 PolarHBondContact O-N 2.95Å; Y136-F140 HydrophobicContact CD1-CB 4.47Å; Y136-F140 HydrophobicContact CE1-CB 4.26Å; Y136-F140 WeakPolarHBondContact O-CB 3.41Å; Y136-F140 PolarHBondContact O-N 3.45Å; Y136-P148 HydrophobicContact CD2-CB 4Å; Y136-P148 HydrophobicContact CD2-CG 4.06Å; Y136-P148 HydrophobicContact CE2-CB 3.93Å; Y136-P148 HydrophobicContact CE2-CG 3.74Å
137	D	89.8	Confident	89.3	Confident	35 Å²	35	43.9 Å²	43.9	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-37.2	178.7	-84	-36.3	0	0	0	112.1	K102 E133 A134 R141	K102-D137 IonicContact NZ-OD2 2.73Å; K102-D137 PolarHBondContact NZ-OD2 2.87Å; K102-D137 VanDerWaalsContact NZ-OD2 3.1Å; E133-D137 PolarHBondContact O-N 3.43Å; A134-D137 PolarHBondContact O-N 3.37Å; D137-R141 WeakPolarHBondContact O-CA 3.39Å; D137-R141 WeakPolarHBondContact O-CB 3.24Å; D137-R141 WeakPolarHBondContact O-CG 3.4Å; D137-R141 PolarHBondContact O-N 2.92Å; D137-R141 IonicContact OD1-CZ 2.85Å; D137-R141 IonicContact OD1-NE 3.95Å; D137-R141 PolarHBondContact OD1-NE 3.17Å; D137-R141 IonicContact OD1-NH2 2.73Å
138	I	89.9	Confident	88.9	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	23%	0.229	C	C	.	.	I	π-helix	trans	-61.3	-49.8	171.6	-73.4	165.6	0	0	0	110.7	A134 L135 Y136 F140 T142 L143 L156 L201 K225 M227 M228	A134-I138 WeakPolarHBondContact O-CB 3.39Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.48Å; A134-I138 PolarHBondContact O-N 2.88Å; L135-I138 PolarHBondContact O-N 3.29Å; Y136-I138 VanDerWaalsContact C-N 3.34Å; Y136-I138 PolarHBondContact O-N 2.81Å; I138-F140 PolarHBondContact O-N 2.83Å; I138-T142 WeakPolarHBondContact O-CA 3.34Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.27Å; I138-L143 HydrophobicContact CG2-CG 4.46Å; I138-L143 PolarHBondContact O-N 3.17Å; I138-L156 HydrophobicContact CB-CD1 4.2Å; I138-L156 HydrophobicContact CG2-CD1 3.67Å; I138-L201 HydrophobicContact CD1-CD1 4.13Å; I138-L201 HydrophobicContact CG1-CD1 4.35Å; I138-L201 HydrophobicContact CG2-CD1 3.78Å; I138-L201 HydrophobicContact CG2-CD2 4.22Å; I138-L201 HydrophobicContact CG2-CG 4.47Å; I138-K225 VanDerWaalsContact CG1-O 3.26Å; I138-K225 WeakPolarHBondContact CG1-O 3.46Å; I138-M227 WeakPolarHBondContact CD1-O 3.5Å; I138-M228 HydrophobicContact CD1-CE 4.35Å; I138-M228 HydrophobicContact CD1-SD 3.78Å
139	C	89.4	Confident	88.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-62.9	-44.3	-177.9	-70.5	0	0	0	0	111.7	L135 Y136 L143 K144 L145 P148	L135-C139 WeakPolarHBondContact O-CB 3.34Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.98Å; Y136-C139 PolarHBondContact O-N 2.95Å; C139-L143 CarbonylContact O-C 3.5Å; C139-L143 WeakPolarHBondContact O-CB 3.12Å; C139-K144 PolarHBondContact O-N 2.82Å; C139-L145 HydrophobicContact CB-CD1 4.27Å; C139-L145 WeakPolarHBondContact O-CB 3.06Å; C139-L145 PolarHBondContact O-N 2.93Å; C139-P148 HydrophobicContact CB-CB 3.75Å; C139-P148 HydrophobicContact CB-CG 3.8Å
140	F	88.3	Confident	88.2	Confident	99 Å²	99	54.5 Å²	54.5	43%	0.434	28%	0.275	S	S	.	.	I	π-helix	trans	-74.4	-50.6	-177.4	-173.7	-104.7	0	0	0	112.3	Y136 I138 K144 L145 P148	Y136-F140 HydrophobicContact CD1-CB 4.47Å; Y136-F140 HydrophobicContact CE1-CB 4.26Å; Y136-F140 WeakPolarHBondContact O-CB 3.41Å; Y136-F140 PolarHBondContact O-N 3.45Å; I138-F140 PolarHBondContact O-N 2.83Å; F140-K144 WeakPolarHBondContact O-CA 3.47Å; F140-L145 WeakPolarHBondContact CD2-O 3.1Å; F140-P148 HydrophobicContact CB-CG 4.22Å
141	R	86.5	Confident	88	Confident	154 Å²	154	56.7 Å²	56.7	58%	0.581	30%	0.298	S	S	*	.	I	π-helix	trans	-87	-42.4	-171.9	-58.2	-180	-178.7	-171	-2.4	113	D137 K144	D137-R141 WeakPolarHBondContact O-CA 3.39Å; D137-R141 WeakPolarHBondContact O-CB 3.24Å; D137-R141 WeakPolarHBondContact O-CG 3.4Å; D137-R141 PolarHBondContact O-N 2.92Å; D137-R141 IonicContact OD1-CZ 2.85Å; D137-R141 IonicContact OD1-NE 3.95Å; D137-R141 PolarHBondContact OD1-NE 3.17Å; D137-R141 IonicContact OD1-NH2 2.73Å; R141-K144 WeakPolarHBondContact O-CD 3.23Å; R141-K144 WeakPolarHBondContact O-CE 3.46Å; R141-K144 PolarHBondContact O-NZ 3.42Å
142	T	85.6	Confident	87.8	Confident	41 Å²	41	58.4 Å²	58.4	25%	0.252	31%	0.307	S	S	.	.	I	π-helix	trans	-89.8	-49.3	-174	-55.6	0	0	0	0	111.2	I138 K144 L201	I138-T142 WeakPolarHBondContact O-CA 3.34Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.27Å; T142-K144 VanDerWaalsContact C-N 3.32Å; T142-L201 HydrophobicContact CG2-CB 4Å
143	L	85.9	Confident	87.9	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.157	30%	0.301	C	S	.	.	S	Bend	trans	-83	-8.2	-179.8	-57.4	-179.8	0	0	0	113.8	I138 C139 L145 L156 T202 A203	I138-L143 HydrophobicContact CG2-CG 4.46Å; I138-L143 PolarHBondContact O-N 3.17Å; C139-L143 CarbonylContact O-C 3.5Å; C139-L143 WeakPolarHBondContact O-CB 3.12Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.33Å; L143-L145 HydrophobicContact CB-CG 4.09Å; L143-L145 PolarHBondContact O-N 2.98Å; L143-L156 HydrophobicContact CD1-CD2 4.33Å; L143-T202 WeakPolarHBondContact CD2-O 3.48Å; L143-A203 WeakPolarHBondContact O-CB 3.3Å
144	K	87.6	Confident	88.1	Confident	159 Å²	159	60.4 Å²	60.4	69%	0.691	32%	0.319	S	S	*	.			trans	58.7	35.8	179.2	-55	-59.5	-174.9	-164.8	0	113.4	C139 F140 R141 T142	C139-K144 PolarHBondContact O-N 2.82Å; F140-K144 WeakPolarHBondContact O-CA 3.47Å; R141-K144 WeakPolarHBondContact O-CD 3.23Å; R141-K144 WeakPolarHBondContact O-CE 3.46Å; R141-K144 PolarHBondContact O-NZ 3.42Å; T142-K144 VanDerWaalsContact C-N 3.32Å
145	L	85.6	Confident	88.2	Confident	52 Å²	52	66 Å²	66	27%	0.272	34%	0.343	S	S	.	.			trans	-85.3	118.1	173.5	-59.2	178.1	0	0	0	109.3	C139 F140 L143 T147 D152	C139-L145 HydrophobicContact CB-CD1 4.27Å; C139-L145 WeakPolarHBondContact O-CB 3.06Å; C139-L145 PolarHBondContact O-N 2.93Å; F140-L145 WeakPolarHBondContact CD2-O 3.1Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.33Å; L143-L145 HydrophobicContact CB-CG 4.09Å; L143-L145 PolarHBondContact O-N 2.98Å; L145-T147 VanDerWaalsContact C-N 3.34Å; L145-T147 PolarHBondContact O-N 2.93Å; L145-D152 HydrophobicContact CD1-CB 4.03Å
146	A	83.7	Confident	88.1	Confident	81 Å²	81	66.3 Å²	66.3	67%	0.669	35%	0.345	S	S	*	.	S	Bend	trans	-65.9	-35.6	-177.3	0	0	0	0	0	113
147	T	85.3	Confident	88.3	Confident	117 Å²	117	63.8 Å²	63.8	72%	0.718	34%	0.337	S	S	*	.	S	Bend	trans	-133.2	86	178.2	52.8	0	0	0	0	109.6	L145 T149	L145-T147 VanDerWaalsContact C-N 3.34Å; L145-T147 PolarHBondContact O-N 2.93Å; T147-T149 PolarHBondContact O-N 2.8Å
148	P	87	Confident	88.5	Confident	21 Å²	21	65.1 Å²	65.1	14%	0.136	35%	0.349	C	S	.	.			trans	-59.1	131.6	176	-23	34.1	0	0	0	111.4	Y136 C139 F140	Y136-P148 HydrophobicContact CD2-CB 4Å; Y136-P148 HydrophobicContact CD2-CG 4.06Å; Y136-P148 HydrophobicContact CE2-CB 3.93Å; Y136-P148 HydrophobicContact CE2-CG 3.74Å; C139-P148 HydrophobicContact CB-CB 3.75Å; C139-P148 HydrophobicContact CB-CG 3.8Å; F140-P148 HydrophobicContact CB-CG 4.22Å
149	T	89.2	Confident	88.5	Confident	76 Å²	76	66 Å²	66	47%	0.466	36%	0.357	S	S	.	.			trans	-103.6	163.9	174.4	68	0	0	0	0	110.9	T147 G151 D152 L153	T147-T149 PolarHBondContact O-N 2.8Å; T149-G151 PolarHBondContact O-N 2.86Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 2.8Å; T149-D152 PolarHBondContact N-OD2 3.39Å; T149-D152 WeakPolarHBondContact O-CB 3.47Å; T149-D152 PolarHBondContact O-N 3.49Å; T149-D152 PolarHBondContact OG1-N 3.22Å; T149-D152 PolarHBondContact OG1-OD2 3.46Å; T149-L153 PolarHBondContact O-N 2.84Å; T149-L153 VanDerWaalsContact O-N 3.14Å
150	Y	87	Confident	88.6	Confident	132 Å²	132	66 Å²	66	52%	0.518	36%	0.357	S	S	.	.	H	α-helix	trans	-56.6	-27.9	170.4	-77.7	-67.1	0	0	0	113.2	V103 D152 L153 N154	V103-Y150 HydrophobicContact CG1-CE1 3.94Å; V103-Y150 PolarHBondContact O-OH 3.37Å; Y150-D152 VanDerWaalsContact C-N 3.32Å; Y150-D152 PolarHBondContact O-N 2.8Å; Y150-L153 HydrophobicContact CD1-CD1 3.8Å; Y150-L153 HydrophobicContact CE1-CD1 4.16Å; Y150-N154 WeakPolarHBondContact O-CB 3.29Å; Y150-N154 PolarHBondContact O-N 3.39Å; Y150-N154 PolarHBondContact O-ND2 2.9Å
151	G	89	Confident	88.9	Confident	48 Å²	48	63.4 Å²	63.4	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-37.3	172.9	0	0	0	0	0	112.9	T149 H155	T149-G151 PolarHBondContact O-N 2.86Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 2.8Å; G151-H155 PolarHBondContact O-N 2.75Å
152	D	89.1	Confident	89.1	Confident	37 Å²	37	58 Å²	58	20%	0.198	33%	0.332	C	S	.	.	H	α-helix	trans	-73.5	-42.6	178.4	-56	-60.1	0	0	0	111.3	L145 T149 Y150 H155 L156	L145-D152 HydrophobicContact CD1-CB 4.03Å; T149-D152 PolarHBondContact N-OD2 3.39Å; T149-D152 WeakPolarHBondContact O-CB 3.47Å; T149-D152 PolarHBondContact O-N 3.49Å; T149-D152 PolarHBondContact OG1-N 3.22Å; T149-D152 PolarHBondContact OG1-OD2 3.46Å; Y150-D152 VanDerWaalsContact C-N 3.32Å; Y150-D152 PolarHBondContact O-N 2.8Å; D152-H155 WeakPolarHBondContact O-CB 3.48Å; D152-H155 PolarHBondContact O-N 3.09Å; D152-L156 PolarHBondContact O-N 3.29Å
153	L	90.1	Very high	89.3	Confident	5 Å²	5	56 Å²	56	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-48.9	173.9	-61.1	167.3	0	0	0	110.4	V103 L135 T149 Y150 H155 L156 V157	V103-L153 HydrophobicContact CG1-CD1 4.47Å; L135-L153 VanDerWaalsContact C-CD2 3.47Å; L135-L153 HydrophobicContact CB-CD2 3.34Å; L135-L153 HydrophobicContact CD1-CB 4.44Å; L135-L153 HydrophobicContact CD1-CD2 4.49Å; T149-L153 PolarHBondContact O-N 2.84Å; T149-L153 VanDerWaalsContact O-N 3.14Å; Y150-L153 HydrophobicContact CD1-CD1 3.8Å; Y150-L153 HydrophobicContact CE1-CD1 4.16Å; L153-H155 PolarHBondContact O-N 3.14Å; L153-L156 WeakPolarHBondContact O-CB 3.34Å; L153-L156 PolarHBondContact O-N 3.09Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L153-V157 PolarHBondContact O-N 3.1Å; L153-V157 VanDerWaalsContact O-N 3.11Å
154	N	92.1	Very high	89.3	Confident	97 Å²	97	55 Å²	55	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-27.8	179	-70.3	-16.2	0	0	0	112.7	Y150 V157 S158	Y150-N154 WeakPolarHBondContact O-CB 3.29Å; Y150-N154 PolarHBondContact O-N 3.39Å; Y150-N154 PolarHBondContact O-ND2 2.9Å; N154-V157 PolarHBondContact O-N 3.08Å; N154-S158 VanDerWaalsContact O-CB 3.29Å; N154-S158 WeakPolarHBondContact O-CB 3.49Å; N154-S158 PolarHBondContact O-N 2.77Å; N154-S158 PolarHBondContact O-OG 3.05Å
155	H	90.4	Very high	89.4	Confident	126 Å²	126	48.2 Å²	48.2	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-62.7	-45.3	173.5	-175.6	58.8	0	0	0	111.2	G151 D152 L153 S158 A159	G151-H155 PolarHBondContact O-N 2.75Å; D152-H155 WeakPolarHBondContact O-CB 3.48Å; D152-H155 PolarHBondContact O-N 3.09Å; L153-H155 PolarHBondContact O-N 3.14Å; H155-S158 PolarHBondContact O-N 3.06Å; H155-S158 PolarHBondContact O-OG 3.33Å; H155-A159 PolarHBondContact O-N 3.17Å; H155-A159 VanDerWaalsContact O-N 3.07Å
156	L	90.4	Very high	89.6	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-47.2	176.2	-64.7	-180	0	0	0	111.7	L135 I138 L143 D152 L153 S158 A159 T160 L201 M228	L135-L156 HydrophobicContact CD2-CB 3.79Å; L135-L156 HydrophobicContact CD2-CD1 3.93Å; I138-L156 HydrophobicContact CB-CD1 4.2Å; I138-L156 HydrophobicContact CG2-CD1 3.67Å; L143-L156 HydrophobicContact CD1-CD2 4.33Å; D152-L156 PolarHBondContact O-N 3.29Å; L153-L156 WeakPolarHBondContact O-CB 3.34Å; L153-L156 PolarHBondContact O-N 3.09Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.02Å; L156-A159 WeakPolarHBondContact O-CB 3.38Å; L156-A159 PolarHBondContact O-N 3.2Å; L156-A159 VanDerWaalsContact O-N 3.15Å; L156-T160 PolarHBondContact O-N 3.41Å; L156-T160 PolarHBondContact O-OG1 3.18Å; L156-L201 HydrophobicContact CD2-CD2 3.52Å; L156-M228 HydrophobicContact CB-CE 4.02Å; L156-M228 HydrophobicContact CB-SD 4.25Å; L156-M228 HydrophobicContact CD2-CE 4.33Å
157	V	93	Very high	89.5	Confident	20 Å²	20	43.1 Å²	43.1	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-46.7	177.1	173.3	0	0	0	0	111.1	I130 L135 L153 N154 A159 T160 M161	I130-V157 HydrophobicContact CD1-CG1 3.75Å; I130-V157 HydrophobicContact CD1-CG2 4.26Å; I130-V157 HydrophobicContact CG2-CG2 3.72Å; L135-V157 HydrophobicContact CD1-CG2 3.65Å; L135-V157 HydrophobicContact CD2-CG2 4.27Å; L153-V157 PolarHBondContact O-N 3.1Å; L153-V157 VanDerWaalsContact O-N 3.11Å; N154-V157 PolarHBondContact O-N 3.08Å; V157-A159 VanDerWaalsContact C-N 3.3Å; V157-A159 PolarHBondContact O-N 3.1Å; V157-T160 PolarHBondContact O-N 3.11Å; V157-M161 HydrophobicContact CG1-CG 4.23Å; V157-M161 HydrophobicContact CG1-SD 3.84Å; V157-M161 WeakPolarHBondContact O-CB 3.21Å; V157-M161 VanDerWaalsContact O-CG 3.31Å; V157-M161 WeakPolarHBondContact O-CG 3.42Å; V157-M161 PolarHBondContact O-N 3.2Å
158	S	93.1	Very high	89.4	Confident	62 Å²	62	40.6 Å²	40.6	43%	0.434	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-34.8	179	74.7	0	0	0	0	113.1	N154 H155 L156 S162	N154-S158 VanDerWaalsContact O-CB 3.29Å; N154-S158 WeakPolarHBondContact O-CB 3.49Å; N154-S158 PolarHBondContact O-N 2.77Å; N154-S158 PolarHBondContact O-OG 3.05Å; H155-S158 PolarHBondContact O-N 3.06Å; H155-S158 PolarHBondContact O-OG 3.33Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.02Å; S158-S162 VanDerWaalsContact O-CB 3.24Å; S158-S162 WeakPolarHBondContact O-CB 3.44Å; S158-S162 PolarHBondContact O-N 3.48Å
159	A	91.3	Very high	89.4	Confident	22 Å²	22	45.2 Å²	45.2	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-44.8	176.8	0	0	0	0	0	111.1	H155 L156 V157 S162 G163 F198	H155-A159 PolarHBondContact O-N 3.17Å; H155-A159 VanDerWaalsContact O-N 3.07Å; L156-A159 WeakPolarHBondContact O-CB 3.38Å; L156-A159 PolarHBondContact O-N 3.2Å; L156-A159 VanDerWaalsContact O-N 3.15Å; V157-A159 VanDerWaalsContact C-N 3.3Å; V157-A159 PolarHBondContact O-N 3.1Å; A159-S162 PolarHBondContact O-N 2.82Å; A159-G163 PolarHBondContact O-N 3.27Å; A159-F198 HydrophobicContact CB-CD1 4.48Å; A159-F198 HydrophobicContact CB-CD2 4.16Å; A159-F198 HydrophobicContact CB-CE1 4.36Å; A159-F198 HydrophobicContact CB-CE2 4.03Å; A159-F198 HydrophobicContact CB-CG 4.39Å; A159-F198 HydrophobicContact CB-CZ 4.13Å
160	T	91.4	Very high	89.3	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-51.3	174.3	-60.9	0	0	0	0	111.4	L156 V157 S162 G163 V164 P196	L156-T160 PolarHBondContact O-N 3.41Å; L156-T160 PolarHBondContact O-OG1 3.18Å; V157-T160 PolarHBondContact O-N 3.11Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.18Å; T160-G163 CarbonylContact O-C 3.56Å; T160-G163 WeakPolarHBondContact O-CA 3.19Å; T160-G163 PolarHBondContact O-N 3.27Å; T160-V164 HydrophobicContact CG2-CG2 4.36Å; T160-V164 WeakPolarHBondContact O-CG2 3.45Å; T160-V164 PolarHBondContact O-N 3.29Å; T160-P196 HydrophobicContact CG2-CB 3.47Å; T160-P196 VanDerWaalsContact CG2-CB 3.47Å; T160-P196 HydrophobicContact CG2-CG 4.26Å
161	M	92.8	Very high	88.7	Confident	43 Å²	43	43.2 Å²	43.2	21%	0.212	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-41.7	178.8	-71.6	179.4	74.2	0	0	112.2	T64 F95 V157 G163 T165	T64-M161 HydrophobicContact CG2-CE 3.33Å; T64-M161 HydrophobicContact CG2-SD 4.27Å; F95-M161 HydrophobicContact CD1-CG 3.58Å; F95-M161 HydrophobicContact CD1-SD 4.41Å; F95-M161 HydrophobicContact CD2-CE 4.19Å; F95-M161 HydrophobicContact CE1-CB 4.38Å; F95-M161 HydrophobicContact CE1-CG 3.67Å; F95-M161 HydrophobicContact CG-CE 4.15Å; F95-M161 HydrophobicContact CG-CG 4.13Å; F95-M161 HydrophobicContact CG-SD 4.45Å; F95-M161 HydrophobicContact CZ-CG 4.34Å; V157-M161 HydrophobicContact CG1-CG 4.23Å; V157-M161 HydrophobicContact CG1-SD 3.84Å; V157-M161 WeakPolarHBondContact O-CB 3.21Å; V157-M161 VanDerWaalsContact O-CG 3.31Å; V157-M161 WeakPolarHBondContact O-CG 3.42Å; V157-M161 PolarHBondContact O-N 3.2Å; M161-G163 VanDerWaalsContact C-N 3.29Å; M161-G163 PolarHBondContact O-N 3.38Å; M161-T165 WeakPolarHBondContact O-CB 3.44Å; M161-T165 WeakPolarHBondContact O-CG2 3.4Å; M161-T165 PolarHBondContact O-N 3.49Å; M161-T165 VanDerWaalsContact O-N 3.11Å; M161-T165 PolarHBondContact O-OG1 3.19Å
162	S	92.2	Very high	87.6	Confident	40 Å²	40	41.9 Å²	41.9	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-40.5	173.6	-178.8	0	0	0	0	111	S158 A159 T160 T165 T166 R169 R246	S158-S162 VanDerWaalsContact O-CB 3.24Å; S158-S162 WeakPolarHBondContact O-CB 3.44Å; S158-S162 PolarHBondContact O-N 3.48Å; A159-S162 PolarHBondContact O-N 2.82Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.18Å; S162-T165 PolarHBondContact O-OG1 2.97Å; S162-T166 PolarHBondContact O-N 3.1Å; S162-T166 PolarHBondContact O-OG1 2.89Å; S162-R169 PolarHBondContact O-NH2 2.9Å; S162-R169 PolarHBondContact OG-NH2 3.31Å; S162-R246 PolarHBondContact O-NH1 2.94Å; S162-R246 PolarHBondContact OG-NH1 3.44Å
163	G	88.6	Confident	86.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-58.2	175.3	0	0	0	0	0	113.4	A159 T160 M161 T165 T166 T294	A159-G163 PolarHBondContact O-N 3.27Å; T160-G163 CarbonylContact O-C 3.56Å; T160-G163 WeakPolarHBondContact O-CA 3.19Å; T160-G163 PolarHBondContact O-N 3.27Å; M161-G163 VanDerWaalsContact C-N 3.29Å; M161-G163 PolarHBondContact O-N 3.38Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.09Å; G163-T166 WeakPolarHBondContact CA-OG1 3.47Å; G163-T166 WeakPolarHBondContact O-CB 3.41Å; G163-T166 PolarHBondContact O-N 3.07Å; G163-T166 PolarHBondContact O-OG1 3.2Å; G163-T294 WeakPolarHBondContact CA-OG1 3.2Å
164	V	87.5	Confident	84.7	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-55.9	-45.5	-179.9	175.3	0	0	0	0	111.4	F95 Y128 T160 T166 T294 I296	F95-V164 HydrophobicContact CZ-CB 4.39Å; F95-V164 HydrophobicContact CZ-CG1 4.15Å; Y128-V164 HydrophobicContact CD1-CG1 4.49Å; Y128-V164 HydrophobicContact CD1-CG2 4.21Å; Y128-V164 HydrophobicContact CE1-CB 4.42Å; Y128-V164 HydrophobicContact CE1-CG1 3.61Å; Y128-V164 HydrophobicContact CE1-CG2 3.88Å; Y128-V164 HydrophobicContact CE2-CG1 4.19Å; Y128-V164 VanDerWaalsContact CZ-CG1 3.47Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.36Å; T160-V164 HydrophobicContact CG2-CG2 4.36Å; T160-V164 WeakPolarHBondContact O-CG2 3.45Å; T160-V164 PolarHBondContact O-N 3.29Å; V164-T166 PolarHBondContact O-N 3.06Å; V164-T294 HydrophobicContact CG2-CG2 4.12Å; V164-I296 HydrophobicContact CB-CD1 4.35Å; V164-I296 HydrophobicContact CG1-CD1 4.06Å; V164-I296 HydrophobicContact CG2-CD1 3.89Å; V164-I296 HydrophobicContact CG2-CG1 4.04Å
165	T	89.7	Confident	82.9	Confident	18 Å²	18	50.6 Å²	50.6	11%	0.11	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	8.2	-178.8	61.3	0	0	0	0	114	M161 S162 G163 L168 R169	M161-T165 WeakPolarHBondContact O-CB 3.44Å; M161-T165 WeakPolarHBondContact O-CG2 3.4Å; M161-T165 PolarHBondContact O-N 3.49Å; M161-T165 VanDerWaalsContact O-N 3.11Å; M161-T165 PolarHBondContact O-OG1 3.19Å; S162-T165 PolarHBondContact O-OG1 2.97Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.09Å; T165-L168 HydrophobicContact CG2-CD1 4.46Å; T165-L168 PolarHBondContact O-N 3.12Å; T165-R169 WeakPolarHBondContact O-CG 3.31Å; T165-R169 PolarHBondContact O-N 3.27Å; T165-R169 PolarHBondContact O-NE 3.5Å; T165-R169 PolarHBondContact OG1-NE 2.89Å; T165-R169 VanDerWaalsContact OG1-NE 3.13Å
166	T	88.5	Confident	81.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-43	-176.7	-60.5	0	0	0	0	111.6	S162 G163 V164 L168 R169 F170 V244 R246 C282	S162-T166 PolarHBondContact O-N 3.1Å; S162-T166 PolarHBondContact O-OG1 2.89Å; G163-T166 WeakPolarHBondContact CA-OG1 3.47Å; G163-T166 WeakPolarHBondContact O-CB 3.41Å; G163-T166 PolarHBondContact O-N 3.07Å; G163-T166 PolarHBondContact O-OG1 3.2Å; V164-T166 PolarHBondContact O-N 3.06Å; T166-L168 PolarHBondContact O-N 3.37Å; T166-R169 PolarHBondContact O-N 3.21Å; T166-F170 HydrophobicContact CG2-CD2 3.99Å; T166-F170 PolarHBondContact O-N 3.11Å; T166-V244 HydrophobicContact CG2-CG1 4.41Å; T166-R246 HydrophobicContact CG2-CG 4.06Å; T166-R246 WeakPolarHBondContact OG1-CD 3.45Å; T166-R246 PolarHBondContact OG1-NH1 2.86Å; T166-C282 HydrophobicContact CG2-CB 3.66Å
167	S	81.2	Confident	80.7	Confident	26 Å²	26	48.6 Å²	48.6	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-24.4	-179.8	52.3	0	0	0	0	113.3	A176	S167-A176 PolarHBondContact OG-O 2.95Å
168	L	83.9	Confident	79.9	Confident	64 Å²	64	48.7 Å²	48.7	34%	0.335	27%	0.27	S	S	.	.	H	α-helix	trans	-84.5	-33.4	178.5	-52.5	174.6	0	0	0	112.3	T165 T166 L178	T165-L168 HydrophobicContact CG2-CD1 4.46Å; T165-L168 PolarHBondContact O-N 3.12Å; T166-L168 PolarHBondContact O-N 3.37Å; L168-L178 HydrophobicContact CD1-CD1 4.28Å; L168-L178 HydrophobicContact CD1-CD2 3.49Å; L168-L178 VanDerWaalsContact CD1-CD2 3.49Å; L168-L178 HydrophobicContact CD1-CG 3.74Å; L168-L178 HydrophobicContact CD2-CD2 4.15Å; L168-L178 HydrophobicContact CD2-CG 3.89Å; L168-L178 HydrophobicContact CG-CD2 4.36Å; L168-L178 HydrophobicContact CG-CG 4.46Å
169	R	88.1	Confident	79.4	Confident	118 Å²	118	51.6 Å²	51.6	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-93.8	-25.9	-170.8	-66.5	-178.3	-60.4	115.2	-5	113.5	S162 T165 T166	S162-R169 PolarHBondContact O-NH2 2.9Å; S162-R169 PolarHBondContact OG-NH2 3.31Å; T165-R169 WeakPolarHBondContact O-CG 3.31Å; T165-R169 PolarHBondContact O-N 3.27Å; T165-R169 PolarHBondContact O-NE 3.5Å; T165-R169 PolarHBondContact OG1-NE 2.89Å; T165-R169 VanDerWaalsContact OG1-NE 3.13Å; T166-R169 PolarHBondContact O-N 3.21Å
170	F	85.8	Confident	79.1	Confident	52 Å²	52	55.4 Å²	55.4	23%	0.228	28%	0.283	C	S	.	.	S	Bend	trans	-125.4	138.1	-177.8	-61.8	-70.5	0	0	0	110.3	T166 G172 I284	T166-F170 HydrophobicContact CG2-CD2 3.99Å; T166-F170 PolarHBondContact O-N 3.11Å; F170-G172 PolarHBondContact O-N 2.92Å; F170-I284 HydrophobicContact CB-CD1 4.27Å; F170-I284 HydrophobicContact CD1-CB 4.44Å; F170-I284 HydrophobicContact CD1-CD1 3.28Å; F170-I284 HydrophobicContact CD1-CG1 4.41Å; F170-I284 HydrophobicContact CD1-CG2 4.46Å; F170-I284 HydrophobicContact CE1-CD1 3.74Å; F170-I284 HydrophobicContact CE1-CG2 4.09Å; F170-I284 HydrophobicContact CG-CD1 3.91Å; F170-I284 HydrophobicContact CZ-CG2 4.11Å
171	P	73.7	Confident	78.7	Confident	114 Å²	114	56.3 Å²	56.3	74%	0.74	29%	0.288	S	S	*	.			trans	-62.9	122.9	170.8	27.7	-32.7	0	0	0	108.7
172	G	67.4	Low	78.3	Confident	19 Å²	19	54.8 Å²	54.8	20%	0.196	28%	0.282	C	S	.	.			trans	-116.9	165.3	173.3	0	0	0	0	0	110.5	F170 L174 N175	F170-G172 PolarHBondContact O-N 2.92Å; G172-L174 PolarHBondContact O-N 3.46Å; G172-N175 PolarHBondContact N-OD1 3.1Å; G172-N175 VanDerWaalsContact O-CG 3.3Å; G172-N175 PolarHBondContact O-ND2 2.95Å; G172-N175 PolarHBondContact O-OD1 2.82Å
173	Q	57.6	Low	78.1	Confident	143 Å²	143	58 Å²	58	67%	0.668	30%	0.3	S	S	*	.	S	Bend	trans	-69.8	-23.6	174.1	-62.7	-167.5	6.7	0	0	111.9	M251	Q173-M251 PolarHBondContact OE1-SD 2.93Å; Q173-M251 VanDerWaalsContact OE1-SD 3.4Å
174	L	59.7	Low	78.1	Confident	87 Å²	87	60.8 Å²	60.8	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-113.6	79.4	171.4	-150.5	108.8	0	0	0	109.3	G172 A176 A280	G172-L174 PolarHBondContact O-N 3.46Å; L174-A176 PolarHBondContact O-N 3.39Å; L174-A280 HydrophobicContact CD2-CB 4.35Å
175	N	55.5	Low	78.1	Confident	93 Å²	93	60.5 Å²	60.5	50%	0.497	31%	0.313	S	S	.	.			trans	-69.7	111.3	174.2	-67.9	-36.2	0	0	0	109.1	G172	G172-N175 PolarHBondContact N-OD1 3.1Å; G172-N175 VanDerWaalsContact O-CG 3.3Å; G172-N175 PolarHBondContact O-ND2 2.95Å; G172-N175 PolarHBondContact O-OD1 2.82Å
176	A	62.9	Low	78.2	Confident	14 Å²	14	61 Å²	61	12%	0.116	32%	0.316	C	S	.	.			trans	-112.1	113.9	169.4	0	0	0	0	0	107.8	S167 L174	S167-A176 PolarHBondContact OG-O 2.95Å; L174-A176 PolarHBondContact O-N 3.39Å
177	D	71.8	Confident	78.2	Confident	76 Å²	76	63.3 Å²	63.3	41%	0.406	33%	0.331	S	S	.	.			trans	-66.8	168	164.4	57.9	6.3	0	0	0	109.7	R179 K180 L181	D177-R179 PolarHBondContact O-N 2.92Å; D177-K180 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact OD1-CA 3.36Å; D177-K180 WeakPolarHBondContact OD1-CB 3.33Å; D177-K180 PolarHBondContact OD1-N 2.99Å; D177-L181 PolarHBondContact O-N 3.42Å
178	L	75.9	Confident	78.7	Confident	22 Å²	22	64 Å²	64	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-56.6	-40.4	178.1	-75.8	178.1	0	0	0	111.9	Q59 I91 N93 L168 K180 L181 A182	Q59-L178 HydrophobicContact CB-CD1 4.27Å; I91-L178 HydrophobicContact CB-CB 4.38Å; I91-L178 HydrophobicContact CG1-CB 4.47Å; I91-L178 HydrophobicContact CG2-CB 4.14Å; N93-L178 WeakPolarHBondContact ND2-CD2 3.44Å; L168-L178 HydrophobicContact CD1-CD1 4.28Å; L168-L178 HydrophobicContact CD1-CD2 3.49Å; L168-L178 VanDerWaalsContact CD1-CD2 3.49Å; L168-L178 HydrophobicContact CD1-CG 3.74Å; L168-L178 HydrophobicContact CD2-CD2 4.15Å; L168-L178 HydrophobicContact CD2-CG 3.89Å; L168-L178 HydrophobicContact CG-CD2 4.36Å; L168-L178 HydrophobicContact CG-CG 4.46Å; L178-K180 PolarHBondContact O-N 2.83Å; L178-L181 WeakPolarHBondContact O-CB 3.44Å; L178-L181 PolarHBondContact O-N 3.38Å; L178-A182 PolarHBondContact O-N 3.28Å
179	R	82.9	Confident	78.8	Confident	123 Å²	123	66.3 Å²	66.3	46%	0.464	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-42.1	-179.6	-176.8	169.8	-69	-75.1	0.2	112.6	D89 I91 D177 L181 A182 V183	D89-R179 PolarHBondContact O-NH2 3.48Å; I91-R179 HydrophobicContact CD1-CB 4.39Å; I91-R179 HydrophobicContact CG1-CB 4.17Å; D177-R179 PolarHBondContact O-N 2.92Å; R179-L181 VanDerWaalsContact C-N 3.33Å; R179-A182 PolarHBondContact O-N 2.97Å; R179-V183 VanDerWaalsContact O-CG2 3.26Å; R179-V183 WeakPolarHBondContact O-CG2 3.37Å; R179-V183 PolarHBondContact O-N 3.33Å
180	K	84.1	Confident	79	Confident	102 Å²	102	64.3 Å²	64.3	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-71.2	-30.3	176.8	-174.2	173.1	178.5	-175.4	0	111.5	D177 L178 N184	D177-K180 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact OD1-CA 3.36Å; D177-K180 WeakPolarHBondContact OD1-CB 3.33Å; D177-K180 PolarHBondContact OD1-N 2.99Å; L178-K180 PolarHBondContact O-N 2.83Å; K180-N184 WeakPolarHBondContact O-CB 3.42Å; K180-N184 PolarHBondContact O-N 3.01Å; K180-N184 PolarHBondContact O-ND2 3.31Å
181	L	82.7	Confident	79.4	Confident	20 Å²	20	61.9 Å²	61.9	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-51.7	169.9	-173.8	64.9	0	0	0	109.9	Y128 D177 L178 R179 V183 N184 M185 A242 I296	Y128-L181 WeakPolarHBondContact OH-CD2 3.28Å; D177-L181 PolarHBondContact O-N 3.42Å; L178-L181 WeakPolarHBondContact O-CB 3.44Å; L178-L181 PolarHBondContact O-N 3.38Å; R179-L181 VanDerWaalsContact C-N 3.33Å; L181-V183 PolarHBondContact O-N 2.98Å; L181-N184 PolarHBondContact O-N 3.48Å; L181-N184 VanDerWaalsContact O-N 3.12Å; L181-M185 HydrophobicContact CD1-CG 3.82Å; L181-M185 HydrophobicContact CG-CG 4.23Å; L181-M185 WeakPolarHBondContact O-CB 3.35Å; L181-M185 VanDerWaalsContact O-CG 3.3Å; L181-M185 WeakPolarHBondContact O-CG 3.47Å; L181-M185 PolarHBondContact O-N 3.3Å; L181-A242 HydrophobicContact CD1-CB 4.09Å; L181-I296 HydrophobicContact CD2-CD1 4.49Å
182	A	85.6	Confident	80.4	Confident	11 Å²	11	56.5 Å²	56.5	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-50.6	179.3	0	0	0	0	0	111.8	I91 E126 L178 R179 N184 M185 V186	I91-A182 HydrophobicContact CD1-CB 4.3Å; E126-A182 HydrophobicContact CG-CB 4.13Å; E126-A182 WeakPolarHBondContact OE1-CA 3.42Å; E126-A182 WeakPolarHBondContact OE1-CB 3.26Å; E126-A182 PolarHBondContact OE1-N 3.09Å; L178-A182 PolarHBondContact O-N 3.28Å; R179-A182 PolarHBondContact O-N 2.97Å; A182-N184 VanDerWaalsContact C-N 3.26Å; A182-N184 PolarHBondContact O-N 2.94Å; A182-M185 PolarHBondContact O-N 2.91Å; A182-M185 VanDerWaalsContact O-N 3.1Å; A182-V186 WeakPolarHBondContact O-CB 3.46Å; A182-V186 PolarHBondContact O-N 2.97Å
183	V	87.3	Confident	81.8	Confident	108 Å²	108	55.7 Å²	55.7	66%	0.655	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-32.6	179.7	171.1	0	0	0	0	112.9	R179 L181	R179-V183 VanDerWaalsContact O-CG2 3.26Å; R179-V183 WeakPolarHBondContact O-CG2 3.37Å; R179-V183 PolarHBondContact O-N 3.33Å; L181-V183 PolarHBondContact O-N 2.98Å
184	N	87.8	Confident	83.6	Confident	59 Å²	59	48.9 Å²	48.9	32%	0.316	26%	0.256	S	S	.	.	H	α-helix	trans	-84	-22.6	178.1	-76.6	-63.5	0	0	0	113.3	K180 L181 A182 T240 K278	K180-N184 WeakPolarHBondContact O-CB 3.42Å; K180-N184 PolarHBondContact O-N 3.01Å; K180-N184 PolarHBondContact O-ND2 3.31Å; L181-N184 PolarHBondContact O-N 3.48Å; L181-N184 VanDerWaalsContact O-N 3.12Å; A182-N184 VanDerWaalsContact C-N 3.26Å; A182-N184 PolarHBondContact O-N 2.94Å; N184-T240 WeakPolarHBondContact O-CG2 3.49Å; N184-K278 HydrophobicContact CB-CG 4.2Å; N184-K278 WeakPolarHBondContact OD1-CE 3.31Å
185	M	88.1	Confident	85.2	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-104.3	-24.7	-171	-69.9	-59.8	-61.8	0	0	113.6	L181 A182 P187 F194 T240 A242 I296 N298	L181-M185 HydrophobicContact CD1-CG 3.82Å; L181-M185 HydrophobicContact CG-CG 4.23Å; L181-M185 WeakPolarHBondContact O-CB 3.35Å; L181-M185 VanDerWaalsContact O-CG 3.3Å; L181-M185 WeakPolarHBondContact O-CG 3.47Å; L181-M185 PolarHBondContact O-N 3.3Å; A182-M185 PolarHBondContact O-N 2.91Å; A182-M185 VanDerWaalsContact O-N 3.1Å; M185-P187 WeakPolarHBondContact O-CD 3.49Å; M185-F194 HydrophobicContact CB-CE1 3.77Å; M185-F194 HydrophobicContact CB-CE2 4.29Å; M185-F194 HydrophobicContact CB-CZ 3.46Å; M185-F194 VanDerWaalsContact CB-CZ 3.46Å; M185-F194 HydrophobicContact CE-CD1 4.36Å; M185-F194 HydrophobicContact CE-CE1 4.27Å; M185-F194 HydrophobicContact CG-CZ 4.41Å; M185-T240 WeakPolarHBondContact CA-OG1 3.22Å; M185-T240 WeakPolarHBondContact CE-OG1 3.45Å; M185-T240 PolarHBondContact O-OG1 3.41Å; M185-A242 HydrophobicContact CE-CB 4.16Å; M185-A242 HydrophobicContact CG-CB 4.24Å; M185-A242 HydrophobicContact SD-CB 3.41Å; M185-A242 WeakPolarHBondContact SD-CB 3.22Å; M185-A242 PolarHBondContact SD-N 3.41Å; M185-A242 VanDerWaalsContact SD-N 3.42Å; M185-I296 HydrophobicContact CE-CB 4.36Å; M185-I296 HydrophobicContact CE-CG2 3.94Å; M185-I296 VanDerWaalsContact CE-O 3.3Å; M185-I296 WeakPolarHBondContact CE-O 3.29Å; M185-N298 HydrophobicContact CE-CB 4.35Å; M185-N298 PolarHBondContact O-ND2 2.88Å
186	V	91.6	Very high	87	Confident	28 Å²	28	40.3 Å²	40.3	17%	0.17	21%	0.21	C	C	.	.			trans	-111.3	92.5	-175.7	-174	0	0	0	0	108.9	A182 F188 H192 F194	A182-V186 WeakPolarHBondContact O-CB 3.46Å; A182-V186 PolarHBondContact O-N 2.97Å; V186-F188 WeakPolarHBondContact CG1-O 3.36Å; V186-H192 HydrophobicContact CG1-CB 3.89Å; V186-H192 HydrophobicContact CG2-CB 3.78Å; V186-F194 HydrophobicContact CG2-CE1 4.12Å; V186-F194 HydrophobicContact CG2-CZ 3.64Å
187	P	88.6	Confident	88.4	Confident	49 Å²	49	39.7 Å²	39.7	32%	0.318	21%	0.205	S	C	.	.	S	Bend	trans	-70.5	-35	174.9	27.6	-32.7	0	0	0	111.8	M185 L239 T240 I273	M185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-L239 HydrophobicContact CG-CB 4.3Å; P187-L239 HydrophobicContact CG-CD1 4.23Å; P187-T240 HydrophobicContact CG-CG2 4.49Å; P187-I273 HydrophobicContact CB-CD1 3.99Å; P187-I273 HydrophobicContact CG-CD1 4.16Å
188	F	91.1	Very high	89.4	Confident	41 Å²	41	36.8 Å²	36.8	18%	0.18	19%	0.189	C	C	.	.	S	Bend	trans	-124.4	135.3	-179	-57.5	-70.9	0	0	0	110.5	V186 R190 L191 W272 Y353	V186-F188 WeakPolarHBondContact CG1-O 3.36Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 2.8Å; F188-R190 VanDerWaalsContact O-N 3.14Å; F188-L191 HydrophobicContact CB-CB 4.33Å; F188-L191 HydrophobicContact CB-CD1 4.37Å; F188-L191 HydrophobicContact CB-CG 4.17Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.05Å; F188-W272 AromaticContact CE2-CH2 3.54Å; F188-W272 HydrophobicContact CE2-CH2 3.54Å; F188-W272 HydrophobicContact CE2-CZ2 4.43Å; F188-W272 HydrophobicContact CE2-CZ3 4.07Å; F188-W272 AromaticContact CZ-CH2 3.94Å; F188-W272 HydrophobicContact CZ-CH2 3.94Å; F188-W272 HydrophobicContact CZ-CZ3 4.04Å; F188-Y353 WeakPolarHBondContact CD1-OH 3.32Å; F188-Y353 HydrophobicContact CD2-CD1 4.41Å; F188-Y353 HydrophobicContact CD2-CD2 4.26Å; F188-Y353 HydrophobicContact CD2-CE1 4.02Å; F188-Y353 AromaticContact CD2-CE2 3.84Å; F188-Y353 HydrophobicContact CD2-CE2 3.84Å; F188-Y353 AromaticContact CD2-CZ 3.7Å; F188-Y353 AromaticContact CE1-CE1 3.9Å; F188-Y353 HydrophobicContact CE1-CE1 3.9Å; F188-Y353 AromaticContact CE1-CZ 3.81Å; F188-Y353 WeakPolarHBondContact CE1-OH 3.44Å; F188-Y353 AromaticContact CE2-CD1 3.56Å; F188-Y353 HydrophobicContact CE2-CD1 3.56Å; F188-Y353 HydrophobicContact CE2-CD2 4.19Å; F188-Y353 AromaticContact CE2-CE1 3.23Å; F188-Y353 HydrophobicContact CE2-CE1 3.23Å; F188-Y353 AromaticContact CE2-CE2 3.89Å; F188-Y353 HydrophobicContact CE2-CE2 3.89Å; F188-Y353 HydrophobicContact CE2-CG 4.03Å; F188-Y353 AromaticContact CE2-CZ 3.39Å; F188-Y353 HydrophobicContact CG-CE2 4.26Å; F188-Y353 AromaticContact CZ-CD1 3.89Å; F188-Y353 HydrophobicContact CZ-CD1 3.89Å; F188-Y353 AromaticContact CZ-CE1 3.18Å; F188-Y353 HydrophobicContact CZ-CE1 3.18Å; F188-Y353 HydrophobicContact CZ-CE2 4.41Å; F188-Y353 AromaticContact CZ-CZ 3.48Å; F188-Y353 VanDerWaalsContact CZ-CZ 3.48Å
189	P	87.9	Confident	90.1	Very high	112 Å²	112	35.7 Å²	35.7	73%	0.727	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-37	-171.5	-29	35.2	0	0	0	115.1	H192	P189-H192 PolarHBondContact O-ND1 3.49Å
190	R	92.1	Very high	90.5	Very high	77 Å²	77	30.1 Å²	30.1	29%	0.291	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.1	-179.9	-64.1	178.2	75.4	177.5	4	113.5	V121 F188 H192 N342 L346 E349	V121-R190 HydrophobicContact CG1-CB 4.25Å; V121-R190 HydrophobicContact CG1-CG 4.11Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 2.8Å; F188-R190 VanDerWaalsContact O-N 3.14Å; R190-H192 VanDerWaalsContact C-N 3.34Å; R190-H192 PolarHBondContact O-N 3.38Å; R190-H192 PolarHBondContact O-ND1 3.17Å; R190-N342 PolarHBondContact NH2-OD1 3.27Å; R190-L346 HydrophobicContact CB-CD1 4.39Å; R190-E349 WeakPolarHBondContact CB-OE2 3.42Å; R190-E349 WeakPolarHBondContact CD-OE1 3.31Å; R190-E349 IonicContact CZ-OE1 2.68Å; R190-E349 IonicContact CZ-OE2 3.8Å; R190-E349 IonicContact NE-OE1 3.69Å; R190-E349 PolarHBondContact NE-OE1 2.93Å; R190-E349 IonicContact NE-OE2 2.98Å; R190-E349 IonicContact NH1-OE1 3.76Å; R190-E349 PolarHBondContact NH1-OE1 2.96Å
191	L	93.8	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.			trans	-95.4	58.3	-175.6	-52.5	-169.9	0	0	0	111.6	F188 L239 N298 L346 E349 Y350 Y353	F188-L191 HydrophobicContact CB-CB 4.33Å; F188-L191 HydrophobicContact CB-CD1 4.37Å; F188-L191 HydrophobicContact CB-CG 4.17Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.05Å; L191-L239 HydrophobicContact CD1-CD1 4.04Å; L191-N298 PolarHBondContact O-ND2 2.9Å; L191-L346 HydrophobicContact CD2-CD1 3.78Å; L191-E349 HydrophobicContact CD2-CB 4.1Å; L191-Y350 HydrophobicContact CB-CE1 4.03Å; L191-Y350 HydrophobicContact CD1-CD1 4.21Å; L191-Y350 HydrophobicContact CD1-CE1 4.21Å; L191-Y350 HydrophobicContact CD2-CD1 4.01Å; L191-Y350 HydrophobicContact CD2-CD2 3.99Å; L191-Y350 HydrophobicContact CD2-CE1 3.78Å; L191-Y350 HydrophobicContact CD2-CE2 3.72Å; L191-Y350 HydrophobicContact CD2-CG 4.11Å; L191-Y350 HydrophobicContact CG-CE1 4.22Å; L191-Y353 HydrophobicContact CD1-CD2 3.44Å; L191-Y353 VanDerWaalsContact CD1-CD2 3.44Å; L191-Y353 HydrophobicContact CD1-CE2 3.71Å; L191-Y353 HydrophobicContact CD1-CG 4.41Å
192	H	94.8	Very high	90.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.147	C	C	.	.			trans	-109.4	21.1	-178.1	59.7	-97.7	0	0	0	113.6	L120 V121 T124 D125 T127 V186 P189 R190	L120-H192 PolarHBondContact O-NE2 3.27Å; V121-H192 PolarHBondContact O-CE1 3.27Å; V121-H192 VanDerWaalsContact O-CE1 3.31Å; T124-H192 PolarHBondContact O-CE1 3.42Å; T124-H192 PolarHBondContact O-NE2 3.46Å; T124-H192 PolarHBondContact OG1-CD2 2.9Å; T124-H192 PolarHBondContact OG1-NE2 3.2Å; D125-H192 VanDerWaalsContact O-CB 3.23Å; D125-H192 WeakPolarHBondContact O-CB 3.3Å; T127-H192 PolarHBondContact N-O 3.02Å; V186-H192 HydrophobicContact CG1-CB 3.89Å; V186-H192 HydrophobicContact CG2-CB 3.78Å; P189-H192 PolarHBondContact O-ND1 3.49Å; R190-H192 VanDerWaalsContact C-N 3.34Å; R190-H192 PolarHBondContact O-N 3.38Å; R190-H192 PolarHBondContact O-ND1 3.17Å
193	F	95.7	Very high	89.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.5	178.4	-63.9	-89.9	0	0	0	110.6	I117 L120 V121 T127 I302 F306 L346	I117-F193 HydrophobicContact CG2-CZ 4.25Å; L120-F193 HydrophobicContact CB-CE1 4.28Å; L120-F193 HydrophobicContact CB-CZ 4.25Å; V121-F193 HydrophobicContact CG2-CE2 3.75Å; V121-F193 HydrophobicContact CG2-CZ 3.72Å; T127-F193 HydrophobicContact CG2-CD1 3.57Å; T127-F193 HydrophobicContact CG2-CE1 3.75Å; T127-F193 CarbonylContact O-C 3.57Å; T127-F193 WeakPolarHBondContact O-CA 3.06Å; F193-I302 HydrophobicContact CB-CG1 4.37Å; F193-F306 HydrophobicContact CB-CE2 4.38Å; F193-F306 HydrophobicContact CB-CZ 4.08Å; F193-F306 HydrophobicContact CD1-CE1 4.44Å; F193-F306 AromaticContact CD1-CZ 3.74Å; F193-F306 HydrophobicContact CD1-CZ 3.74Å; F193-F306 HydrophobicContact CD2-CE2 4.37Å; F193-F306 AromaticContact CD2-CZ 3.93Å; F193-F306 HydrophobicContact CD2-CZ 3.93Å; F193-F306 HydrophobicContact CE1-CE1 4.5Å; F193-F306 HydrophobicContact CE1-CZ 4.12Å; F193-F306 HydrophobicContact CE2-CZ 4.3Å; F193-F306 HydrophobicContact CG-CE2 4.26Å; F193-F306 AromaticContact CG-CZ 3.63Å; F193-F306 HydrophobicContact CG-CZ 3.63Å; F193-F306 HydrophobicContact CZ-CZ 4.38Å; F193-L346 HydrophobicContact CD2-CD2 4.26Å; F193-L346 HydrophobicContact CE2-CD1 4.46Å; F193-L346 HydrophobicContact CE2-CD2 3.82Å; F193-L346 HydrophobicContact CZ-CD2 4.43Å
194	F	95.1	Very high	88.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.1	-176.4	-55.5	-38.3	0	0	0	112.4	E126 T127 Y128 C129 M185 V186 P196 I296 G297 N298	E126-F194 HydrophobicContact CB-CD2 4.37Å; E126-F194 HydrophobicContact CB-CE2 3.68Å; E126-F194 HydrophobicContact CB-CZ 4.45Å; E126-F194 HydrophobicContact CG-CE2 3.71Å; E126-F194 HydrophobicContact CG-CZ 4.19Å; T127-F194 PolarHBondContact O-N 2.87Å; Y128-F194 HydrophobicContact CD1-CB 4.26Å; Y128-F194 HydrophobicContact CD1-CD2 4.14Å; Y128-F194 AromaticContact CE1-CD2 3.77Å; Y128-F194 HydrophobicContact CE1-CD2 3.77Å; Y128-F194 HydrophobicContact CE2-CD2 4.44Å; Y128-F194 AromaticContact CZ-CD2 3.9Å; C129-F194 WeakPolarHBondContact CB-O 3.29Å; C129-F194 PolarHBondContact N-O 3.35Å; M185-F194 HydrophobicContact CB-CE1 3.77Å; M185-F194 HydrophobicContact CB-CE2 4.29Å; M185-F194 HydrophobicContact CB-CZ 3.46Å; M185-F194 VanDerWaalsContact CB-CZ 3.46Å; M185-F194 HydrophobicContact CE-CD1 4.36Å; M185-F194 HydrophobicContact CE-CE1 4.27Å; M185-F194 HydrophobicContact CG-CZ 4.41Å; V186-F194 HydrophobicContact CG2-CE1 4.12Å; V186-F194 HydrophobicContact CG2-CZ 3.64Å; F194-P196 VanDerWaalsContact O-CD 3.31Å; F194-P196 WeakPolarHBondContact O-CD 3.41Å; F194-I296 HydrophobicContact CB-CG2 3.74Å; F194-I296 HydrophobicContact CD1-CG2 4.46Å; F194-I296 HydrophobicContact CD2-CG2 3.8Å; F194-I296 HydrophobicContact CG-CG2 3.75Å; F194-G297 WeakPolarHBondContact CA-O 3.22Å; F194-N298 HydrophobicContact CD1-CB 3.89Å; F194-N298 HydrophobicContact CE1-CB 3.99Å
195	M	93.6	Very high	87.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.6	166.8	-65.3	-179.8	68.6	0	0	109.1	M227 A229 C231 P233 G297 I302	M195-M227 HydrophobicContact CE-CB 4.36Å; M195-M227 HydrophobicContact CE-CG 4.38Å; M195-A229 HydrophobicContact CB-CB 4.39Å; M195-A229 HydrophobicContact CE-CB 4.07Å; M195-A229 HydrophobicContact CG-CB 4.05Å; M195-C231 HydrophobicContact CE-CB 3.6Å; M195-C231 HydrophobicContact SD-CB 4.3Å; M195-P233 HydrophobicContact CE-CG 4.35Å; M195-G297 PolarHBondContact N-O 3.12Å; M195-G297 PolarHBondContact O-N 2.96Å; M195-I302 HydrophobicContact CG-CB 4.36Å; M195-I302 HydrophobicContact CG-CD1 3.59Å; M195-I302 HydrophobicContact CG-CG1 4.47Å; M195-I302 HydrophobicContact SD-CB 4.43Å; M195-I302 HydrophobicContact SD-CD1 4.38Å
196	P	93.9	Very high	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	151.9	174.9	21.4	-14.9	0	0	0	111.2	C129 I130 T160 F194 M228 F295	C129-P196 WeakPolarHBondContact O-CD 3.45Å; C129-P196 WeakPolarHBondContact O-CG 3.03Å; I130-P196 HydrophobicContact CG1-CG 4.26Å; T160-P196 HydrophobicContact CG2-CB 3.47Å; T160-P196 VanDerWaalsContact CG2-CB 3.47Å; T160-P196 HydrophobicContact CG2-CG 4.26Å; F194-P196 VanDerWaalsContact O-CD 3.31Å; F194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-M228 HydrophobicContact CB-CB 4.48Å; P196-M228 HydrophobicContact CG-CB 4.04Å; P196-M228 VanDerWaalsContact O-CB 3.28Å; P196-M228 WeakPolarHBondContact O-CB 3.22Å; P196-M228 WeakPolarHBondContact O-CG 3.39Å; P196-M228 PolarHBondContact O-N 2.92Å; P196-F295 CarbonylContact C-O 3.58Å; P196-F295 WeakPolarHBondContact CA-O 3.31Å
197	G	92.5	Very high	85.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.6	170.7	0	0	0	0	0	110.8	F295	G197-F295 PolarHBondContact N-O 2.93Å; G197-F295 PolarHBondContact O-N 3.22Å
198	F	92	Very high	84.3	Confident	15 Å²	15	43.3 Å²	43.3	7%	0.066	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136	176.9	-176.1	-92.9	0	0	0	110.1	A159 L201 M228 L289	A159-F198 HydrophobicContact CB-CD1 4.48Å; A159-F198 HydrophobicContact CB-CD2 4.16Å; A159-F198 HydrophobicContact CB-CE1 4.36Å; A159-F198 HydrophobicContact CB-CE2 4.03Å; A159-F198 HydrophobicContact CB-CG 4.39Å; A159-F198 HydrophobicContact CB-CZ 4.13Å; F198-L201 HydrophobicContact CD1-CD2 4.17Å; F198-L201 WeakPolarHBondContact O-CG 3.39Å; F198-M228 HydrophobicContact CB-CE 3.71Å; F198-L289 HydrophobicContact CE1-CD1 4.33Å; F198-L289 HydrophobicContact CZ-CD1 4.09Å
199	A	91.3	Very high	83.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.7	169.2	0	0	0	0	0	109.8	L217 Q220 M221 S292 S293	A199-L217 HydrophobicContact CB-CD2 4.14Å; A199-Q220 HydrophobicContact CB-CB 3.85Å; A199-M221 HydrophobicContact CB-CG 4.08Å; A199-S292 CarbonylContact O-C 3.58Å; A199-S292 WeakPolarHBondContact O-CA 3.44Å; A199-S292 WeakPolarHBondContact O-CB 3.43Å; A199-S293 PolarHBondContact N-O 3.46Å; A199-S293 PolarHBondContact O-N 3.17Å; A199-S293 VanDerWaalsContact O-O 3.05Å
200	P	90.2	Very high	82.1	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.039	24%	0.242	C	C	.	.			cis	-87.2	143.9	3.1	35.4	-36.3	0	0	0	113.6	T202 L212 L217 L289	P200-T202 HydrophobicContact CB-CG2 4.2Å; P200-L212 HydrophobicContact CB-CD2 3.33Å; P200-L212 HydrophobicContact CG-CD1 3.98Å; P200-L212 HydrophobicContact CG-CD2 3.51Å; P200-L212 HydrophobicContact CG-CG 4.41Å; P200-L217 HydrophobicContact CB-CD2 4.16Å; P200-L217 HydrophobicContact CG-CD2 4.36Å; P200-L289 HydrophobicContact CG-CD1 4.29Å; P200-L289 HydrophobicContact CG-CD2 4.16Å
201	L	84.9	Confident	80.9	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.047	26%	0.255	C	S	.	.			trans	-100.7	93.3	167.1	-66.4	170.5	0	0	0	108.4	I138 T142 L156 F198 N226 M228	I138-L201 HydrophobicContact CD1-CD1 4.13Å; I138-L201 HydrophobicContact CG1-CD1 4.35Å; I138-L201 HydrophobicContact CG2-CD1 3.78Å; I138-L201 HydrophobicContact CG2-CD2 4.22Å; I138-L201 HydrophobicContact CG2-CG 4.47Å; T142-L201 HydrophobicContact CG2-CB 4Å; L156-L201 HydrophobicContact CD2-CD2 3.52Å; F198-L201 HydrophobicContact CD1-CD2 4.17Å; F198-L201 WeakPolarHBondContact O-CG 3.39Å; L201-N226 HydrophobicContact CD1-CB 3.85Å; L201-M228 HydrophobicContact CD2-CE 4.36Å
202	T	75.9	Confident	80.3	Confident	27 Å²	27	52 Å²	52	17%	0.166	27%	0.265	C	S	.	.			trans	-118.3	132.5	-178.4	52.4	0	0	0	0	111	L143 P200	L143-T202 WeakPolarHBondContact CD2-O 3.48Å; P200-T202 HydrophobicContact CB-CG2 4.2Å
203	A	73.5	Confident	80.1	Confident	16 Å²	16	54.5 Å²	54.5	13%	0.132	28%	0.28	C	S	.	.			trans	-62.3	145.6	171.6	0	0	0	0	0	110.3	L143 G205 S206 Q207	L143-A203 WeakPolarHBondContact O-CB 3.3Å; A203-G205 PolarHBondContact O-N 3.03Å; A203-S206 PolarHBondContact O-N 2.95Å; A203-Q207 PolarHBondContact O-N 3.31Å
204	R	68.7	Low	79.8	Confident	210 Å²	210	54.6 Å²	54.6	79%	0.792	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-33.8	-176.9	-65.5	-177.4	-176.5	172	5	113.4
205	G	64.4	Low	79.6	Confident	62 Å²	62	56.7 Å²	56.7	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.2	178.1	0	0	0	0	0	115.1	A203	A203-G205 PolarHBondContact O-N 3.03Å
206	S	69.8	Low	79.4	Confident	67 Å²	67	59.3 Å²	59.3	47%	0.469	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.1	-176.4	-56.4	0	0	0	0	113.3	A203 Q208 Y209 R210	A203-S206 PolarHBondContact O-N 2.95Å; S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.01Å; S206-Y209 PolarHBondContact O-N 3.15Å; S206-R210 PolarHBondContact O-N 2.95Å
207	Q	67.4	Low	79.2	Confident	88 Å²	88	59.3 Å²	59.3	41%	0.411	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.3	-175.2	-164.1	179.9	1.3	0	0	113.5	A203 G288	A203-Q207 PolarHBondContact O-N 3.31Å; Q207-G288 PolarHBondContact NE2-O 2.69Å
208	Q	62.3	Low	79.2	Confident	175 Å²	175	59.3 Å²	59.3	82%	0.818	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.1	179.3	-68.6	-176.8	1.8	0	0	113.8	S206	S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.01Å
209	Y	64.4	Low	79	Confident	198 Å²	198	65.5 Å²	65.5	78%	0.776	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-12.4	-172	-62.6	-77.4	0	0	0	113.6	S206	S206-Y209 PolarHBondContact O-N 3.15Å
210	R	68.8	Low	78.9	Confident	108 Å²	108	66.1 Å²	66.1	41%	0.408	34%	0.338	S	S	.	.			trans	-100.6	119	-177.2	-163.3	173.3	-173.5	163.4	8.7	111.1	S206 L212 E216	S206-R210 PolarHBondContact O-N 2.95Å; R210-L212 PolarHBondContact O-N 3.17Å; R210-E216 IonicContact CZ-OE2 3.21Å; R210-E216 IonicContact NE-OE2 2.83Å; R210-E216 PolarHBondContact NE-OE2 3.11Å; R210-E216 IonicContact NH2-OE2 2.85Å
211	A	66	Low	78.9	Confident	69 Å²	69	65.9 Å²	65.9	57%	0.57	34%	0.337	S	S	*	.			trans	-76.9	104.3	171.4	0	0	0	0	0	109.1	T213	A211-T213 PolarHBondContact O-N 3.31Å
212	L	81.7	Confident	79.1	Confident	39 Å²	39	66.8 Å²	66.8	20%	0.204	34%	0.34	C	S	.	.			trans	-69.3	117.2	174.2	-72.1	158	0	0	0	109.1	P200 R210 L217 M291	P200-L212 HydrophobicContact CB-CD2 3.33Å; P200-L212 HydrophobicContact CG-CD1 3.98Å; P200-L212 HydrophobicContact CG-CD2 3.51Å; P200-L212 HydrophobicContact CG-CG 4.41Å; R210-L212 PolarHBondContact O-N 3.17Å; L212-L217 HydrophobicContact CD2-CD2 4.09Å; L212-M291 HydrophobicContact CB-CE 4.29Å; L212-M291 WeakPolarHBondContact O-CE 3.47Å
213	T	89.5	Confident	79.7	Confident	53 Å²	53	67.9 Å²	67.9	33%	0.325	35%	0.345	S	S	.	.			trans	-123.7	161.2	175.5	63.7	0	0	0	0	109.8	A211 E216 L217	A211-T213 PolarHBondContact O-N 3.31Å; T213-E216 PolarHBondContact O-N 3.44Å; T213-E216 WeakPolarHBondContact OG1-CG 3.44Å; T213-E216 PolarHBondContact OG1-N 3.28Å; T213-L217 WeakPolarHBondContact O-CG 3.48Å; T213-L217 PolarHBondContact O-N 3.17Å
214	V	89.6	Confident	80.3	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-58.3	-47.4	177.5	176.9	0	0	0	0	111.5	E216 L217 T218 F245 M249 E253 V254 Q257	V214-E216 VanDerWaalsContact C-N 3.32Å; V214-E216 PolarHBondContact O-N 2.94Å; V214-L217 PolarHBondContact O-N 3.35Å; V214-L217 VanDerWaalsContact O-N 3.15Å; V214-T218 PolarHBondContact O-N 3.46Å; V214-T218 PolarHBondContact O-OG1 2.63Å; V214-F245 HydrophobicContact CG1-CE1 4.46Å; V214-M249 HydrophobicContact CG2-CB 3.92Å; V214-M249 HydrophobicContact CG2-SD 4.15Å; V214-E253 HydrophobicContact CB-CG 4.16Å; V214-E253 HydrophobicContact CG1-CG 4.35Å; V214-V254 HydrophobicContact CG1-CB 4.35Å; V214-V254 HydrophobicContact CG1-CG2 3.78Å; V214-V254 HydrophobicContact CG2-CG2 4.37Å; V214-Q257 HydrophobicContact CG1-CG 4.21Å
215	P	91.4	Very high	81.1	Confident	43 Å²	43	65.1 Å²	65.1	28%	0.279	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-40.8	176.5	-24.7	33.8	0	0	0	113.7	T218 Q219 Q257	P215-T218 PolarHBondContact O-N 2.9Å; P215-Q219 WeakPolarHBondContact O-CB 3.31Å; P215-Q219 PolarHBondContact O-N 3.48Å; P215-Q257 HydrophobicContact CB-CG 4.3Å; P215-Q257 HydrophobicContact CG-CG 3.96Å
216	E	89.3	Confident	82.2	Confident	56 Å²	56	62.6 Å²	62.6	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-36.8	177.9	-78.7	-168.1	-154.4	0	0	113	R210 T213 V214 Q220	R210-E216 IonicContact CZ-OE2 3.21Å; R210-E216 IonicContact NE-OE2 2.83Å; R210-E216 PolarHBondContact NE-OE2 3.11Å; R210-E216 IonicContact NH2-OE2 2.85Å; T213-E216 PolarHBondContact O-N 3.44Å; T213-E216 WeakPolarHBondContact OG1-CG 3.44Å; T213-E216 PolarHBondContact OG1-N 3.28Å; V214-E216 VanDerWaalsContact C-N 3.32Å; V214-E216 PolarHBondContact O-N 2.94Å; E216-Q220 WeakPolarHBondContact O-CB 3.22Å; E216-Q220 WeakPolarHBondContact O-CG 3.35Å; E216-Q220 PolarHBondContact O-N 3.19Å; E216-Q220 PolarHBondContact O-NE2 3.12Å
217	L	90.7	Very high	83.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-49.9	174.9	-72.6	175	0	0	0	110	A199 P200 L212 T213 V214 Q219 Q220 M221 F245 M291	A199-L217 HydrophobicContact CB-CD2 4.14Å; P200-L217 HydrophobicContact CB-CD2 4.16Å; P200-L217 HydrophobicContact CG-CD2 4.36Å; L212-L217 HydrophobicContact CD2-CD2 4.09Å; T213-L217 WeakPolarHBondContact O-CG 3.48Å; T213-L217 PolarHBondContact O-N 3.17Å; V214-L217 PolarHBondContact O-N 3.35Å; V214-L217 VanDerWaalsContact O-N 3.15Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-Q219 PolarHBondContact O-N 2.72Å; L217-Q220 PolarHBondContact O-N 3.49Å; L217-Q220 VanDerWaalsContact O-N 3.14Å; L217-M221 VanDerWaalsContact O-CG 3.27Å; L217-M221 WeakPolarHBondContact O-CG 3.35Å; L217-M221 PolarHBondContact O-N 3.27Å; L217-F245 HydrophobicContact CB-CE1 4.36Å; L217-M291 HydrophobicContact CD1-CB 3.89Å
218	T	90.9	Very high	84.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-43.4	179.9	-52.1	0	0	0	0	110.9	V214 P215 Q220 M221 F222 Q257 M258 I261	V214-T218 PolarHBondContact O-N 3.46Å; V214-T218 PolarHBondContact O-OG1 2.63Å; P215-T218 PolarHBondContact O-N 2.9Å; T218-Q220 PolarHBondContact O-N 3.33Å; T218-M221 PolarHBondContact O-N 3.46Å; T218-F222 WeakPolarHBondContact O-CD2 3.13Å; T218-Q257 HydrophobicContact CG2-CB 4.06Å; T218-M258 HydrophobicContact CG2-SD 3.55Å; T218-M258 VanDerWaalsContact CG2-SD 3.55Å; T218-I261 HydrophobicContact CG2-CD1 3.28Å; T218-I261 HydrophobicContact CG2-CG1 4.01Å
219	Q	88.8	Confident	85.3	Confident	144 Å²	144	47.1 Å²	47.1	67%	0.673	23%	0.233	S	C	*	.	H	α-helix	trans	-64.5	-39.5	175.5	-171.9	178.4	10.7	0	0	113	P215 L217 D223	P215-Q219 WeakPolarHBondContact O-CB 3.31Å; P215-Q219 PolarHBondContact O-N 3.48Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-Q219 PolarHBondContact O-N 2.72Å; Q219-D223 PolarHBondContact O-N 2.89Å
220	Q	89.5	Confident	86.4	Confident	14 Å²	14	39.3 Å²	39.3	7%	0.065	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-35.3	177.6	-84.6	177.1	62.7	0	0	112.6	A199 E216 L217 T218 F222 D223 N226	A199-Q220 HydrophobicContact CB-CB 3.85Å; E216-Q220 WeakPolarHBondContact O-CB 3.22Å; E216-Q220 WeakPolarHBondContact O-CG 3.35Å; E216-Q220 PolarHBondContact O-N 3.19Å; E216-Q220 PolarHBondContact O-NE2 3.12Å; L217-Q220 PolarHBondContact O-N 3.49Å; L217-Q220 VanDerWaalsContact O-N 3.14Å; T218-Q220 PolarHBondContact O-N 3.33Å; Q220-F222 VanDerWaalsContact C-N 3.3Å; Q220-F222 PolarHBondContact O-N 3.19Å; Q220-D223 PolarHBondContact O-N 3.47Å; Q220-N226 WeakPolarHBondContact CB-ND2 3.48Å; Q220-N226 WeakPolarHBondContact O-CB 3.48Å; Q220-N226 PolarHBondContact O-ND2 3.47Å
221	M	89.8	Confident	87.3	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-38.1	-179.7	-71.3	170.4	79.7	0	0	112.8	A199 L217 T218 D223 M227 T243 F245 S293 T294 F295	A199-M221 HydrophobicContact CB-CG 4.08Å; L217-M221 VanDerWaalsContact O-CG 3.27Å; L217-M221 WeakPolarHBondContact O-CG 3.35Å; L217-M221 PolarHBondContact O-N 3.27Å; T218-M221 PolarHBondContact O-N 3.46Å; M221-D223 VanDerWaalsContact C-N 3.34Å; M221-M227 WeakPolarHBondContact O-CE 3.42Å; M221-T243 HydrophobicContact CE-CG2 3.34Å; M221-F245 HydrophobicContact SD-CE1 4.22Å; M221-F245 HydrophobicContact SD-CE2 4.45Å; M221-F245 HydrophobicContact SD-CZ 3.85Å; M221-S293 WeakPolarHBondContact CG-OG 3.3Å; M221-S293 WeakPolarHBondContact SD-CB 3.37Å; M221-S293 PolarHBondContact SD-OG 3.01Å; M221-T294 WeakPolarHBondContact CE-O 3.29Å; M221-F295 HydrophobicContact CB-CB 4.27Å; M221-F295 HydrophobicContact CB-CD2 4.34Å; M221-F295 HydrophobicContact CE-CB 3.64Å; M221-F295 HydrophobicContact CE-CD2 4.08Å; M221-F295 HydrophobicContact CE-CG 4.37Å; M221-F295 HydrophobicContact CG-CB 4.44Å
222	F	88.8	Confident	88.3	Confident	27 Å²	27	33.4 Å²	33.4	12%	0.118	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7	179.6	-70.3	-87.5	0	0	0	113.3	T218 Q220 Y238 V241 M258 I261 F269 F295	T218-F222 WeakPolarHBondContact O-CD2 3.13Å; Q220-F222 VanDerWaalsContact C-N 3.3Å; Q220-F222 PolarHBondContact O-N 3.19Å; F222-Y238 HydrophobicContact CD1-CE2 4.12Å; F222-Y238 HydrophobicContact CE1-CE2 4.28Å; F222-V241 HydrophobicContact CZ-CG1 4.24Å; F222-M258 HydrophobicContact CE2-CE 3.84Å; F222-M258 HydrophobicContact CE2-SD 4.18Å; F222-M258 HydrophobicContact CZ-CE 3.89Å; F222-I261 HydrophobicContact CD1-CG2 4.34Å; F222-I261 HydrophobicContact CD2-CD1 3.55Å; F222-I261 HydrophobicContact CD2-CG2 3.92Å; F222-I261 HydrophobicContact CE1-CG2 4.4Å; F222-I261 HydrophobicContact CE2-CD1 4.03Å; F222-I261 HydrophobicContact CE2-CG2 3.98Å; F222-I261 HydrophobicContact CG-CD1 4.32Å; F222-I261 HydrophobicContact CG-CG2 4.1Å; F222-I261 HydrophobicContact CZ-CG2 4.22Å; F222-F269 HydrophobicContact CE1-CE1 4.29Å; F222-F269 AromaticContact CE1-CZ 3.77Å; F222-F269 HydrophobicContact CE1-CZ 3.77Å; F222-F269 HydrophobicContact CZ-CZ 4.26Å; F222-F295 HydrophobicContact CD1-CE2 4.14Å; F222-F295 AromaticContact CE1-CE2 3.72Å; F222-F295 HydrophobicContact CE1-CE2 3.72Å; F222-F295 HydrophobicContact CE1-CZ 4.38Å; F222-F295 AromaticContact CZ-CE2 3.97Å; F222-F295 HydrophobicContact CZ-CE2 3.97Å
223	D	89.2	Confident	88.5	Confident	50 Å²	50	31.9 Å²	31.9	27%	0.267	17%	0.169	S	C	.	.			trans	-81.1	127.4	172.3	-167.7	4.3	0	0	0	109.7	Q219 Q220 M221 K225 N226	Q219-D223 PolarHBondContact O-N 2.89Å; Q220-D223 PolarHBondContact O-N 3.47Å; M221-D223 VanDerWaalsContact C-N 3.34Å; D223-K225 PolarHBondContact O-N 2.94Å; D223-N226 PolarHBondContact O-N 3.39Å
224	A	86.5	Confident	88.4	Confident	25 Å²	25	36.2 Å²	36.2	21%	0.207	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-54.7	-29.7	179.2	0	0	0	0	0	112.2	N226 M227	A224-N226 PolarHBondContact O-N 3.15Å; A224-M227 PolarHBondContact O-N 2.74Å
225	K	85.5	Confident	88.4	Confident	144 Å²	144	41.3 Å²	41.3	63%	0.626	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-69.2	-16.5	179.5	-63.9	175.9	-175.7	169.2	0	114.6	I138 D223	I138-K225 VanDerWaalsContact CG1-O 3.26Å; I138-K225 WeakPolarHBondContact CG1-O 3.46Å; D223-K225 PolarHBondContact O-N 2.94Å
226	N	85.6	Confident	88.4	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.043	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-105.5	2.7	-177.5	-63.8	-19.4	0	0	0	112.5	L201 Q220 D223 A224	L201-N226 HydrophobicContact CD1-CB 3.85Å; Q220-N226 WeakPolarHBondContact CB-ND2 3.48Å; Q220-N226 WeakPolarHBondContact O-CB 3.48Å; Q220-N226 PolarHBondContact O-ND2 3.47Å; D223-N226 PolarHBondContact O-N 3.39Å; A224-N226 PolarHBondContact O-N 3.15Å
227	M	88.9	Confident	88.6	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.015	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-74.2	137.1	172.7	-63	-58.6	173.8	0	0	109.9	I138 M195 M221 A224 A229 P233 Y238 F295	I138-M227 WeakPolarHBondContact CD1-O 3.5Å; M195-M227 HydrophobicContact CE-CB 4.36Å; M195-M227 HydrophobicContact CE-CG 4.38Å; M221-M227 WeakPolarHBondContact O-CE 3.42Å; A224-M227 PolarHBondContact O-N 2.74Å; M227-A229 VanDerWaalsContact C-N 3.25Å; M227-P233 HydrophobicContact CE-CG 3.85Å; M227-P233 HydrophobicContact CG-CG 3.86Å; M227-P233 HydrophobicContact SD-CG 4.49Å; M227-Y238 WeakPolarHBondContact CE-OH 3.46Å; M227-F295 HydrophobicContact CE-CD1 3.77Å; M227-F295 HydrophobicContact CE-CE1 3.47Å; M227-F295 VanDerWaalsContact CE-CE1 3.47Å; M227-F295 HydrophobicContact CE-CZ 3.98Å; M227-F295 HydrophobicContact SD-CD1 3.72Å; M227-F295 HydrophobicContact SD-CE1 3.74Å
228	M	89.1	Confident	88.7	Confident	1 Å²	1	41 Å²	41	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-87.2	1.9	177.9	-58	-72.3	178.8	0	0	112	D131 L135 I138 L156 P196 F198 L201	D131-M228 PolarHBondContact N-O 3.45Å; L135-M228 HydrophobicContact CD2-SD 3.31Å; L135-M228 WeakPolarHBondContact CD2-SD 3.34Å; I138-M228 HydrophobicContact CD1-CE 4.35Å; I138-M228 HydrophobicContact CD1-SD 3.78Å; L156-M228 HydrophobicContact CB-CE 4.02Å; L156-M228 HydrophobicContact CB-SD 4.25Å; L156-M228 HydrophobicContact CD2-CE 4.33Å; P196-M228 HydrophobicContact CB-CB 4.48Å; P196-M228 HydrophobicContact CG-CB 4.04Å; P196-M228 VanDerWaalsContact O-CB 3.28Å; P196-M228 WeakPolarHBondContact O-CB 3.22Å; P196-M228 WeakPolarHBondContact O-CG 3.39Å; P196-M228 PolarHBondContact O-N 2.92Å; F198-M228 HydrophobicContact CB-CE 3.71Å; L201-M228 HydrophobicContact CD2-CE 4.36Å
229	A	88.5	Confident	88.8	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.017	20%	0.195	C	C	.	.	S	Bend	trans	-115	136.6	169.2	0	0	0	0	0	108.6	M195 M227 C231 I302 L305	M195-A229 HydrophobicContact CB-CB 4.39Å; M195-A229 HydrophobicContact CE-CB 4.07Å; M195-A229 HydrophobicContact CG-CB 4.05Å; M227-A229 VanDerWaalsContact C-N 3.25Å; A229-C231 PolarHBondContact O-N 3.21Å; A229-I302 HydrophobicContact CB-CD1 4.26Å; A229-L305 HydrophobicContact CB-CD1 4.46Å
230	A	87.1	Confident	89	Confident	34 Å²	34	34.3 Å²	34.3	28%	0.281	16%	0.164	S	C	.	.	S	Bend	trans	-82.2	64.6	-175.5	0	0	0	0	0	111.3	D131 E133 A134	D131-A230 WeakPolarHBondContact OD2-CB 3.32Å; D131-A230 PolarHBondContact OD2-N 3.14Å; E133-A230 HydrophobicContact CB-CB 4.04Å; E133-A230 HydrophobicContact CG-CB 4.12Å; A134-A230 HydrophobicContact CB-CB 4.04Å
231	C	86.4	Confident	89.2	Confident	8 Å²	8	33.6 Å²	33.6	5%	0.054	16%	0.161	C	C	.	.	S	Bend	trans	-130.2	144.7	173.2	-41.7	0	0	0	0	108.5	M195 A229 P233 A301 E304	M195-C231 HydrophobicContact CE-CB 3.6Å; M195-C231 HydrophobicContact SD-CB 4.3Å; A229-C231 PolarHBondContact O-N 3.21Å; C231-P233 VanDerWaalsContact O-CD 3.3Å; C231-P233 WeakPolarHBondContact O-CD 3.22Å; C231-A301 HydrophobicContact CB-CB 4.38Å; C231-A301 WeakPolarHBondContact CB-O 3.23Å; C231-E304 WeakPolarHBondContact CA-OE2 3.45Å; C231-E304 HydrophobicContact CB-CB 4.29Å
232	D	87.3	Confident	89.2	Confident	45 Å²	45	33.9 Å²	33.9	24%	0.241	16%	0.163	C	C	.	.			trans	-85	113.1	171.1	-166.9	-24.4	0	0	0	109	R234 H235 A301 E304	D232-R234 PolarHBondContact O-N 2.95Å; D232-R234 VanDerWaalsContact OD1-CB 3.3Å; D232-R234 WeakPolarHBondContact OD1-CB 3.34Å; D232-R234 VanDerWaalsContact OD1-CG 3.31Å; D232-R234 WeakPolarHBondContact OD1-CG 3.36Å; D232-R234 PolarHBondContact OD1-N 3.46Å; D232-H235 PolarHBondContact O-N 3.39Å; D232-A301 WeakPolarHBondContact O-CB 3.32Å; D232-E304 PolarHBondContact N-OE2 3Å; D232-E304 VanDerWaalsContact N-OE2 3.14Å
233	P	86.5	Confident	89.3	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.039	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62.2	-14	-179.6	-18.4	31.1	0	0	0	113.9	M195 M227 C231 H235 Y238	M195-P233 HydrophobicContact CE-CG 4.35Å; M227-P233 HydrophobicContact CE-CG 3.85Å; M227-P233 HydrophobicContact CG-CG 3.86Å; M227-P233 HydrophobicContact SD-CG 4.49Å; C231-P233 VanDerWaalsContact O-CD 3.3Å; C231-P233 WeakPolarHBondContact O-CD 3.22Å; P233-H235 VanDerWaalsContact C-N 3.32Å; P233-Y238 HydrophobicContact CB-CE1 4.31Å; P233-Y238 HydrophobicContact CB-CE2 4.21Å; P233-Y238 WeakPolarHBondContact CB-OH 3.19Å
234	R	87.9	Confident	89.4	Confident	145 Å²	145	30.8 Å²	30.8	55%	0.547	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-76.5	-18.4	176.7	-60.2	171.3	-175.8	174.4	5.1	113.4	D232 Y268	D232-R234 PolarHBondContact O-N 2.95Å; D232-R234 VanDerWaalsContact OD1-CB 3.3Å; D232-R234 WeakPolarHBondContact OD1-CB 3.34Å; D232-R234 VanDerWaalsContact OD1-CG 3.31Å; D232-R234 WeakPolarHBondContact OD1-CG 3.36Å; D232-R234 PolarHBondContact OD1-N 3.46Å; R234-Y268 HydrophobicContact CB-CE1 3.99Å; R234-Y268 HydrophobicContact CG-CE1 4.39Å; R234-Y268 WeakPolarHBondContact O-CE1 3.42Å
235	H	89.8	Confident	89.6	Confident	111 Å²	111	29.6 Å²	29.6	51%	0.514	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-81.4	-4.5	175.9	-64.6	165.1	0	0	0	113	D232 P233 E304 Q354	D232-H235 PolarHBondContact O-N 3.39Å; P233-H235 VanDerWaalsContact C-N 3.32Å; H235-E304 IonicContact CE1-OE1 3.7Å; H235-E304 IonicContact CG-OE1 3.77Å; H235-E304 IonicContact ND1-OE1 3.56Å; H235-E304 PolarHBondContact ND1-OE1 3.3Å; H235-Q354 PolarHBondContact O-NE2 2.88Å
236	G	90.5	Very high	89.8	Confident	4 Å²	4	23 Å²	23	4%	0.041	11%	0.11	C	C	.	.	S	Bend	trans	-136.9	-165	176.8	0	0	0	0	0	112.7	T300 Q354	G236-T300 WeakPolarHBondContact CA-OG1 3.47Å; G236-Q354 VanDerWaalsContact CA-OE1 3.32Å
237	R	92.9	Very high	90	Very high	79 Å²	79	22.7 Å²	22.7	30%	0.298	11%	0.108	S	C	.	.			trans	-122	148.6	175.5	-64.1	-178.4	177	171.6	1.6	109.6	Y268 V270 S299 T300 Q354 A356	R237-Y268 CarbonylContact C-O 3.39Å; R237-Y268 VanDerWaalsContact CA-O 3.29Å; R237-Y268 WeakPolarHBondContact CA-O 3.15Å; R237-V270 HydrophobicContact CB-CG1 3.92Å; R237-S299 WeakPolarHBondContact O-CA 3.37Å; R237-S299 PolarHBondContact O-OG 3.27Å; R237-T300 PolarHBondContact N-OG1 3.27Å; R237-T300 PolarHBondContact O-N 3.1Å; R237-T300 PolarHBondContact O-OG1 3.48Å; R237-Q354 PolarHBondContact NH1-O 2.98Å; R237-A356 PolarHBondContact NH1-O 2.96Å
238	Y	93.6	Very high	89.9	Confident	8 Å²	8	33.2 Å²	33.2	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.8	170.5	-70.3	-69.7	0	0	0	109.3	F222 M227 P233 V241 Y268 F269 V270 N276 F295	F222-Y238 HydrophobicContact CD1-CE2 4.12Å; F222-Y238 HydrophobicContact CE1-CE2 4.28Å; M227-Y238 WeakPolarHBondContact CE-OH 3.46Å; P233-Y238 HydrophobicContact CB-CE1 4.31Å; P233-Y238 HydrophobicContact CB-CE2 4.21Å; P233-Y238 WeakPolarHBondContact CB-OH 3.19Å; Y238-V241 HydrophobicContact CD1-CG2 3.73Å; Y238-V241 HydrophobicContact CD2-CG2 4.46Å; Y238-V241 HydrophobicContact CE1-CG2 4.42Å; Y238-V241 HydrophobicContact CG-CG2 3.75Å; Y238-Y268 PolarHBondContact N-O 3.24Å; Y238-F269 HydrophobicContact CD2-CD1 4.35Å; Y238-F269 HydrophobicContact CD2-CE1 4.04Å; Y238-F269 HydrophobicContact CD2-CZ 4.27Å; Y238-F269 HydrophobicContact CG-CE1 4.36Å; Y238-V270 WeakPolarHBondContact O-CG2 3.41Å; Y238-V270 PolarHBondContact O-N 3.47Å; Y238-V270 VanDerWaalsContact O-N 3.08Å; Y238-N276 PolarHBondContact O-ND2 3.33Å; Y238-F295 HydrophobicContact CD1-CZ 4.3Å; Y238-F295 HydrophobicContact CE1-CE1 4.11Å; Y238-F295 AromaticContact CE1-CZ 3.52Å; Y238-F295 HydrophobicContact CE1-CZ 3.52Å; Y238-F295 AromaticContact CZ-CZ 3.8Å
239	L	93.2	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-57.4	168.2	-59.9	-178.4	0	0	0	108.6	P187 L191 V270 W272 N276 N298 T300	P187-L239 HydrophobicContact CG-CB 4.3Å; P187-L239 HydrophobicContact CG-CD1 4.23Å; L191-L239 HydrophobicContact CD1-CD1 4.04Å; L239-V270 HydrophobicContact CD2-CG1 3.81Å; L239-V270 HydrophobicContact CD2-CG2 4.46Å; L239-W272 HydrophobicContact CD2-CH2 4.11Å; L239-W272 HydrophobicContact CD2-CZ2 3.76Å; L239-N276 WeakPolarHBondContact O-CB 3.46Å; L239-N276 PolarHBondContact O-ND2 3.15Å; L239-N298 HydrophobicContact CB-CB 4.4Å; L239-N298 PolarHBondContact N-O 3.15Å; L239-T300 HydrophobicContact CD2-CG2 4.12Å; L239-T300 HydrophobicContact CG-CG2 4.27Å
240	T	93	Very high	89.8	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152	-179.6	63.9	0	0	0	0	110.2	N184 M185 P187 I273 N276 N298	N184-T240 WeakPolarHBondContact O-CG2 3.49Å; M185-T240 WeakPolarHBondContact CA-OG1 3.22Å; M185-T240 WeakPolarHBondContact CE-OG1 3.45Å; M185-T240 PolarHBondContact O-OG1 3.41Å; P187-T240 HydrophobicContact CG-CG2 4.49Å; T240-I273 HydrophobicContact CG2-CD1 4.3Å; T240-N276 WeakPolarHBondContact CA-O 3.4Å; T240-N298 PolarHBondContact N-O 3.46Å; T240-N298 PolarHBondContact O-N 3.08Å; T240-N298 WeakPolarHBondContact OG1-CB 3.38Å
241	V	93.1	Very high	89.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.5	178.1	174.9	0	0	0	0	109.4	F222 Y238 T243 F269 N276 V277 K278 F295 I296	F222-V241 HydrophobicContact CZ-CG1 4.24Å; Y238-V241 HydrophobicContact CD1-CG2 3.73Å; Y238-V241 HydrophobicContact CD2-CG2 4.46Å; Y238-V241 HydrophobicContact CE1-CG2 4.42Å; Y238-V241 HydrophobicContact CG-CG2 3.75Å; V241-T243 HydrophobicContact CG1-CG2 3.93Å; V241-F269 HydrophobicContact CG2-CE1 3.99Å; V241-N276 PolarHBondContact N-O 3.17Å; V241-V277 HydrophobicContact CB-CG1 4.34Å; V241-V277 HydrophobicContact CB-CG2 4.18Å; V241-V277 HydrophobicContact CG1-CG1 4.3Å; V241-V277 CarbonylContact O-C 3.58Å; V241-V277 VanDerWaalsContact O-CA 3.32Å; V241-V277 WeakPolarHBondContact O-CA 3.2Å; V241-K278 PolarHBondContact O-N 3.06Å; V241-F295 HydrophobicContact CB-CE2 4.45Å; V241-F295 HydrophobicContact CG1-CD2 3.97Å; V241-F295 HydrophobicContact CG1-CE2 3.35Å; V241-F295 HydrophobicContact CG1-CZ 4.07Å; V241-F295 HydrophobicContact CG2-CE2 4.28Å; V241-F295 HydrophobicContact CG2-CZ 4.3Å; V241-I296 WeakPolarHBondContact CA-O 3.49Å
242	A	90.6	Very high	89.8	Confident	6 Å²	6	46 Å²	46	5%	0.05	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.2	166	0	0	0	0	0	110.3	L181 M185 K278 I296	L181-A242 HydrophobicContact CD1-CB 4.09Å; M185-A242 HydrophobicContact CE-CB 4.16Å; M185-A242 HydrophobicContact CG-CB 4.24Å; M185-A242 HydrophobicContact SD-CB 3.41Å; M185-A242 WeakPolarHBondContact SD-CB 3.22Å; M185-A242 PolarHBondContact SD-N 3.41Å; M185-A242 VanDerWaalsContact SD-N 3.42Å; A242-K278 CarbonylContact C-O 3.58Å; A242-K278 WeakPolarHBondContact CA-O 3.45Å; A242-I296 HydrophobicContact CB-CB 4.26Å; A242-I296 HydrophobicContact CB-CD1 4.45Å; A242-I296 PolarHBondContact N-O 3.39Å; A242-I296 PolarHBondContact O-N 3.35Å
243	T	90.3	Very high	90	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.8	176.8	57.3	0	0	0	0	109.8	M221 V241 M258 K278 V279 A280 T294 F295	M221-T243 HydrophobicContact CE-CG2 3.34Å; V241-T243 HydrophobicContact CG1-CG2 3.93Å; T243-M258 HydrophobicContact CG2-CE 3.59Å; T243-M258 HydrophobicContact CG2-SD 4.29Å; T243-K278 PolarHBondContact N-O 2.98Å; T243-K278 PolarHBondContact OG1-O 3.02Å; T243-V279 CarbonylContact O-C 3.49Å; T243-A280 PolarHBondContact O-N 2.98Å; T243-T294 CarbonylContact C-O 3.58Å; T243-T294 WeakPolarHBondContact CA-O 3.39Å; T243-F295 HydrophobicContact CG2-CD2 4.18Å
244	V	90.4	Very high	90.2	Very high	11 Å²	11	47 Å²	47	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.4	179	-173.7	0	0	0	0	108.6	T166 R246 A280 S293 T294	T166-V244 HydrophobicContact CG2-CG1 4.41Å; V244-R246 HydrophobicContact CG1-CG 4.47Å; V244-A280 CarbonylContact C-O 3.52Å; V244-A280 WeakPolarHBondContact CA-O 3.38Å; V244-A280 HydrophobicContact CG2-CB 4.4Å; V244-S293 CarbonylContact O-C 3.59Å; V244-S293 WeakPolarHBondContact O-CA 3.48Å; V244-T294 PolarHBondContact N-O 3.49Å; V244-T294 PolarHBondContact O-N 2.82Å
245	F	91.1	Very high	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.1	174.7	-73	-92.4	0	0	0	110.8	V214 L217 M221 M249 V254 M258 V279 A280 V281 C282	V214-F245 HydrophobicContact CG1-CE1 4.46Å; L217-F245 HydrophobicContact CB-CE1 4.36Å; M221-F245 HydrophobicContact SD-CE1 4.22Å; M221-F245 HydrophobicContact SD-CE2 4.45Å; M221-F245 HydrophobicContact SD-CZ 3.85Å; F245-M249 HydrophobicContact CB-CE 3.84Å; F245-M249 HydrophobicContact CB-SD 3.55Å; F245-M249 VanDerWaalsContact CB-SD 3.55Å; F245-M249 HydrophobicContact CD1-CE 4.31Å; F245-M249 HydrophobicContact CD1-SD 3.72Å; F245-M249 HydrophobicContact CG-SD 3.92Å; F245-V254 HydrophobicContact CD1-CG1 4.48Å; F245-V254 HydrophobicContact CD2-CG1 3.58Å; F245-V254 HydrophobicContact CE1-CG1 4.38Å; F245-V254 HydrophobicContact CE2-CG1 3.46Å; F245-V254 VanDerWaalsContact CE2-CG1 3.46Å; F245-V254 HydrophobicContact CG-CG1 4.11Å; F245-V254 HydrophobicContact CG-CG2 4.48Å; F245-V254 HydrophobicContact CZ-CG1 3.89Å; F245-M258 HydrophobicContact CE2-CG 4.45Å; F245-M258 HydrophobicContact CE2-SD 4.21Å; F245-M258 HydrophobicContact CZ-SD 4.21Å; F245-V279 HydrophobicContact CD2-CG1 3.92Å; F245-V279 HydrophobicContact CE2-CG1 4.11Å; F245-A280 PolarHBondContact N-O 3.21Å; F245-V281 HydrophobicContact CB-CG2 4.3Å; F245-V281 CarbonylContact O-C 3.52Å; F245-V281 WeakPolarHBondContact O-CA 3.21Å; F245-C282 PolarHBondContact O-N 3.02Å
246	R	90.2	Very high	90.3	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.8	-179.5	-56.5	-174.8	62.6	172.6	-9	111.5	S162 T166 V244 M249 C282 I284 M291 S292	S162-R246 PolarHBondContact O-NH1 2.94Å; S162-R246 PolarHBondContact OG-NH1 3.44Å; T166-R246 HydrophobicContact CG2-CG 4.06Å; T166-R246 WeakPolarHBondContact OG1-CD 3.45Å; T166-R246 PolarHBondContact OG1-NH1 2.86Å; V244-R246 HydrophobicContact CG1-CG 4.47Å; R246-M249 VanDerWaalsContact O-CE 3.31Å; R246-M249 WeakPolarHBondContact O-CE 3.5Å; R246-C282 CarbonylContact C-O 3.49Å; R246-C282 VanDerWaalsContact CA-O 3.26Å; R246-C282 WeakPolarHBondContact CA-O 3.26Å; R246-C282 HydrophobicContact CG-CB 4.36Å; R246-I284 PolarHBondContact NE-O 3.49Å; R246-I284 PolarHBondContact NH2-O 2.97Å; R246-M291 CarbonylContact O-C 3.56Å; R246-M291 WeakPolarHBondContact O-CA 3.31Å; R246-S292 PolarHBondContact N-O 2.86Å; R246-S292 PolarHBondContact O-N 3.4Å
247	G	89.1	Confident	90.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	109.2	171.5	-177.6	0	0	0	0	0	112.4	M249 C282	G247-M249 WeakPolarHBondContact O-CE 3.26Å; G247-M249 PolarHBondContact O-N 2.78Å; G247-C282 PolarHBondContact N-O 3.14Å
248	R	86.4	Confident	90.3	Very high	224 Å²	224	42.7 Å²	42.7	85%	0.845	20%	0.2	S	C	*	.	S	Bend	trans	-75	109.4	-178.2	-64.5	-176.3	-176.4	-175.5	-0.1	110.3
249	M	87.2	Confident	90.1	Very high	31 Å²	31	47.3 Å²	47.3	15%	0.153	23%	0.225	C	C	.	.			trans	-145.3	162.6	178.1	64	-168.9	80.5	0	0	111.7	V214 F245 R246 G247 V254 V281 M291	V214-M249 HydrophobicContact CG2-CB 3.92Å; V214-M249 HydrophobicContact CG2-SD 4.15Å; F245-M249 HydrophobicContact CB-CE 3.84Å; F245-M249 HydrophobicContact CB-SD 3.55Å; F245-M249 VanDerWaalsContact CB-SD 3.55Å; F245-M249 HydrophobicContact CD1-CE 4.31Å; F245-M249 HydrophobicContact CD1-SD 3.72Å; F245-M249 HydrophobicContact CG-SD 3.92Å; R246-M249 VanDerWaalsContact O-CE 3.31Å; R246-M249 WeakPolarHBondContact O-CE 3.5Å; G247-M249 WeakPolarHBondContact O-CE 3.26Å; G247-M249 PolarHBondContact O-N 2.78Å; M249-V254 HydrophobicContact CG-CG2 3.91Å; M249-V254 HydrophobicContact SD-CG2 3.57Å; M249-V254 VanDerWaalsContact SD-CG2 3.57Å; M249-V281 HydrophobicContact CG-CG1 4.08Å; M249-M291 HydrophobicContact CB-SD 4.34Å; M249-M291 HydrophobicContact CE-CB 4.41Å; M249-M291 HydrophobicContact CE-CG 4.32Å; M249-M291 HydrophobicContact CE-SD 4.35Å
250	S	88.2	Confident	90.1	Very high	60 Å²	60	49.8 Å²	49.8	42%	0.42	25%	0.245	S	C	.	.			trans	-80.7	118.9	176.4	179.1	0	0	0	0	109.9	K252 E253 V254	S250-K252 PolarHBondContact O-N 3.11Å; S250-E253 WeakPolarHBondContact O-CB 3.3Å; S250-E253 PolarHBondContact O-N 3.33Å; S250-V254 PolarHBondContact O-N 3.18Å; S250-V254 VanDerWaalsContact O-N 3.11Å
251	M	85.8	Confident	89.9	Confident	79 Å²	79	50.7 Å²	50.7	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-56.6	-40.1	175.5	-82	178.2	-86.4	0	0	112.2	Q173 E253 V254 D255 V281	Q173-M251 PolarHBondContact OE1-SD 2.93Å; Q173-M251 VanDerWaalsContact OE1-SD 3.4Å; M251-E253 VanDerWaalsContact C-N 3.25Å; M251-E253 PolarHBondContact O-N 3.28Å; M251-V254 WeakPolarHBondContact O-CB 3.49Å; M251-V254 PolarHBondContact O-N 3.45Å; M251-V254 VanDerWaalsContact O-N 3.09Å; M251-D255 PolarHBondContact O-N 3.2Å; M251-V281 HydrophobicContact CG-CB 4.4Å; M251-V281 HydrophobicContact CG-CG2 4.06Å
252	K	89.3	Confident	89.7	Confident	143 Å²	143	52.8 Å²	52.8	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-56.7	-41.7	176	-179.9	178.8	170.6	179.1	0	112	S250 E256	S250-K252 PolarHBondContact O-N 3.11Å; K252-E256 WeakPolarHBondContact CE-OE1 3.47Å; K252-E256 IonicContact NZ-OE1 3.78Å; K252-E256 WeakPolarHBondContact O-CB 3.46Å; K252-E256 VanDerWaalsContact O-CG 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.48Å; K252-E256 PolarHBondContact O-N 3.5Å
253	E	90.9	Very high	89.6	Confident	74 Å²	74	56.5 Å²	56.5	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-40.1	178.7	-172.2	-178.8	-178.7	0	0	111	V214 S250 M251 Q257	V214-E253 HydrophobicContact CB-CG 4.16Å; V214-E253 HydrophobicContact CG1-CG 4.35Å; S250-E253 WeakPolarHBondContact O-CB 3.3Å; S250-E253 PolarHBondContact O-N 3.33Å; M251-E253 VanDerWaalsContact C-N 3.25Å; M251-E253 PolarHBondContact O-N 3.28Å; E253-Q257 WeakPolarHBondContact O-CB 3.31Å; E253-Q257 VanDerWaalsContact O-CG 3.26Å; E253-Q257 WeakPolarHBondContact O-CG 3.34Å; E253-Q257 PolarHBondContact O-N 3.2Å
254	V	89.8	Confident	89.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-48.9	175.9	-179.5	0	0	0	0	110.7	V214 F245 M249 S250 M251 E256 Q257 M258 V279	V214-V254 HydrophobicContact CG1-CB 4.35Å; V214-V254 HydrophobicContact CG1-CG2 3.78Å; V214-V254 HydrophobicContact CG2-CG2 4.37Å; F245-V254 HydrophobicContact CD1-CG1 4.48Å; F245-V254 HydrophobicContact CD2-CG1 3.58Å; F245-V254 HydrophobicContact CE1-CG1 4.38Å; F245-V254 HydrophobicContact CE2-CG1 3.46Å; F245-V254 VanDerWaalsContact CE2-CG1 3.46Å; F245-V254 HydrophobicContact CG-CG1 4.11Å; F245-V254 HydrophobicContact CG-CG2 4.48Å; F245-V254 HydrophobicContact CZ-CG1 3.89Å; M249-V254 HydrophobicContact CG-CG2 3.91Å; M249-V254 HydrophobicContact SD-CG2 3.57Å; M249-V254 VanDerWaalsContact SD-CG2 3.57Å; S250-V254 PolarHBondContact O-N 3.18Å; S250-V254 VanDerWaalsContact O-N 3.11Å; M251-V254 WeakPolarHBondContact O-CB 3.49Å; M251-V254 PolarHBondContact O-N 3.45Å; M251-V254 VanDerWaalsContact O-N 3.09Å; V254-E256 PolarHBondContact O-N 3.09Å; V254-Q257 PolarHBondContact O-N 3.31Å; V254-M258 HydrophobicContact CG1-CG 4.3Å; V254-M258 VanDerWaalsContact O-CG 3.3Å; V254-M258 WeakPolarHBondContact O-CG 3.37Å; V254-M258 PolarHBondContact O-N 2.81Å; V254-V279 HydrophobicContact CG1-CG1 3.51Å
255	D	89.1	Confident	89.4	Confident	89 Å²	89	66.6 Å²	66.6	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-43.3	-179.3	-66.6	-24.5	0	0	0	111.6	M251 Q257 M258 L259	M251-D255 PolarHBondContact O-N 3.2Å; D255-Q257 PolarHBondContact O-N 3.17Å; D255-M258 PolarHBondContact O-N 3.5Å; D255-L259 WeakPolarHBondContact O-CB 3.27Å; D255-L259 PolarHBondContact O-N 3.19Å
256	E	92	Very high	89.2	Confident	100 Å²	100	70 Å²	70	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-42.5	175.5	-76.7	174.4	178.3	0	0	112	K252 V254 A260	K252-E256 WeakPolarHBondContact CE-OE1 3.47Å; K252-E256 IonicContact NZ-OE1 3.78Å; K252-E256 WeakPolarHBondContact O-CB 3.46Å; K252-E256 VanDerWaalsContact O-CG 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.48Å; K252-E256 PolarHBondContact O-N 3.5Å; V254-E256 PolarHBondContact O-N 3.09Å; E256-A260 VanDerWaalsContact O-CB 3.29Å; E256-A260 WeakPolarHBondContact O-CB 3.33Å; E256-A260 PolarHBondContact O-N 2.97Å
257	Q	92.4	Very high	89.2	Confident	55 Å²	55	73.2 Å²	73.2	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-69.4	-39.9	178.2	-69.1	-51.9	-58.7	0	0	112.5	V214 P215 T218 E253 V254 D255 A260 I261	V214-Q257 HydrophobicContact CG1-CG 4.21Å; P215-Q257 HydrophobicContact CB-CG 4.3Å; P215-Q257 HydrophobicContact CG-CG 3.96Å; T218-Q257 HydrophobicContact CG2-CB 4.06Å; E253-Q257 WeakPolarHBondContact O-CB 3.31Å; E253-Q257 VanDerWaalsContact O-CG 3.26Å; E253-Q257 WeakPolarHBondContact O-CG 3.34Å; E253-Q257 PolarHBondContact O-N 3.2Å; V254-Q257 PolarHBondContact O-N 3.31Å; D255-Q257 PolarHBondContact O-N 3.17Å; Q257-A260 PolarHBondContact O-N 2.91Å; Q257-I261 PolarHBondContact O-N 2.77Å
258	M	90.5	Very high	89.2	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.02	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-40.6	177.9	-69.8	-59.3	-61.2	0	0	111.4	T218 F222 T243 F245 V254 D255 I261 Q262 V277 V279	T218-M258 HydrophobicContact CG2-SD 3.55Å; T218-M258 VanDerWaalsContact CG2-SD 3.55Å; F222-M258 HydrophobicContact CE2-CE 3.84Å; F222-M258 HydrophobicContact CE2-SD 4.18Å; F222-M258 HydrophobicContact CZ-CE 3.89Å; T243-M258 HydrophobicContact CG2-CE 3.59Å; T243-M258 HydrophobicContact CG2-SD 4.29Å; F245-M258 HydrophobicContact CE2-CG 4.45Å; F245-M258 HydrophobicContact CE2-SD 4.21Å; F245-M258 HydrophobicContact CZ-SD 4.21Å; V254-M258 HydrophobicContact CG1-CG 4.3Å; V254-M258 VanDerWaalsContact O-CG 3.3Å; V254-M258 WeakPolarHBondContact O-CG 3.37Å; V254-M258 PolarHBondContact O-N 2.81Å; D255-M258 PolarHBondContact O-N 3.5Å; M258-I261 PolarHBondContact O-N 2.93Å; M258-Q262 WeakPolarHBondContact O-CG 3.35Å; M258-Q262 PolarHBondContact O-N 3.23Å; M258-Q262 VanDerWaalsContact O-N 3.08Å; M258-Q262 PolarHBondContact O-NE2 3.03Å; M258-V277 HydrophobicContact CE-CG1 3.37Å; M258-V279 HydrophobicContact CB-CG2 4.27Å; M258-V279 HydrophobicContact CE-CG2 4.45Å; M258-V279 HydrophobicContact CG-CG2 3.82Å
259	L	90.1	Very high	89.4	Confident	105 Å²	105	67 Å²	67	55%	0.55	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-42.8	173.8	-173.9	66.6	0	0	0	111.3	D255 I261 Q262 S263	D255-L259 WeakPolarHBondContact O-CB 3.27Å; D255-L259 PolarHBondContact O-N 3.19Å; L259-I261 VanDerWaalsContact C-N 3.32Å; L259-I261 PolarHBondContact O-N 2.66Å; L259-Q262 PolarHBondContact O-N 3.06Å; L259-S263 PolarHBondContact O-N 3.35Å; L259-S263 PolarHBondContact O-OG 3.04Å
260	A	91.9	Very high	89.6	Confident	51 Å²	51	65.8 Å²	65.8	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-39	177.9	0	0	0	0	0	112.7	E256 Q257 K264	E256-A260 VanDerWaalsContact O-CB 3.29Å; E256-A260 WeakPolarHBondContact O-CB 3.33Å; E256-A260 PolarHBondContact O-N 2.97Å; Q257-A260 PolarHBondContact O-N 2.91Å; A260-K264 VanDerWaalsContact O-CB 3.25Å; A260-K264 WeakPolarHBondContact O-CB 3.3Å; A260-K264 PolarHBondContact O-N 3.45Å
261	I	89.4	Confident	89.5	Confident	24 Å²	24	69.9 Å²	69.9	12%	0.123	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-46.8	174.1	-71.3	-166.3	0	0	0	110.8	T218 F222 Q257 M258 L259 S263 K264 N265	T218-I261 HydrophobicContact CG2-CD1 3.28Å; T218-I261 HydrophobicContact CG2-CG1 4.01Å; F222-I261 HydrophobicContact CD1-CG2 4.34Å; F222-I261 HydrophobicContact CD2-CD1 3.55Å; F222-I261 HydrophobicContact CD2-CG2 3.92Å; F222-I261 HydrophobicContact CE1-CG2 4.4Å; F222-I261 HydrophobicContact CE2-CD1 4.03Å; F222-I261 HydrophobicContact CE2-CG2 3.98Å; F222-I261 HydrophobicContact CG-CD1 4.32Å; F222-I261 HydrophobicContact CG-CG2 4.1Å; F222-I261 HydrophobicContact CZ-CG2 4.22Å; Q257-I261 PolarHBondContact O-N 2.77Å; M258-I261 PolarHBondContact O-N 2.93Å; L259-I261 VanDerWaalsContact C-N 3.32Å; L259-I261 PolarHBondContact O-N 2.66Å; I261-S263 PolarHBondContact O-N 3.27Å; I261-K264 PolarHBondContact O-N 3.23Å; I261-N265 VanDerWaalsContact O-CB 3.3Å; I261-N265 WeakPolarHBondContact O-CB 3.44Å; I261-N265 PolarHBondContact O-N 2.89Å
262	Q	88.4	Confident	89.4	Confident	44 Å²	44	68 Å²	68	21%	0.206	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-46.5	178.6	-74.3	171.2	48.4	0	0	111.7	M258 L259 K264 N265 S266 F269 V277	M258-Q262 WeakPolarHBondContact O-CG 3.35Å; M258-Q262 PolarHBondContact O-N 3.23Å; M258-Q262 VanDerWaalsContact O-N 3.08Å; M258-Q262 PolarHBondContact O-NE2 3.03Å; L259-Q262 PolarHBondContact O-N 3.06Å; Q262-K264 VanDerWaalsContact C-N 3.34Å; Q262-K264 PolarHBondContact O-N 3.33Å; Q262-N265 CarbonylContact O-C 3.6Å; Q262-N265 PolarHBondContact O-N 3.15Å; Q262-S266 WeakPolarHBondContact O-CA 3.44Å; Q262-S266 PolarHBondContact O-N 3.47Å; Q262-F269 HydrophobicContact CG-CE1 4.4Å; Q262-F269 HydrophobicContact CG-CE2 4.22Å; Q262-F269 HydrophobicContact CG-CZ 4.1Å; Q262-V277 VanDerWaalsContact CD-CG2 3.46Å; Q262-V277 HydrophobicContact CG-CG2 3.81Å; Q262-V277 VanDerWaalsContact NE2-CG2 3.32Å
263	S	88.4	Confident	89.2	Confident	85 Å²	85	62.7 Å²	62.7	59%	0.594	33%	0.328	S	S	*	.	H	α-helix	trans	-66.1	-34.7	178.6	-57.8	0	0	0	0	113	L259 I261	L259-S263 PolarHBondContact O-N 3.35Å; L259-S263 PolarHBondContact O-OG 3.04Å; I261-S263 PolarHBondContact O-N 3.27Å
264	K	90.1	Very high	88.8	Confident	176 Å²	176	64 Å²	64	77%	0.765	34%	0.343	S	S	*	.	H	α-helix	trans	-73.3	-33.1	178.7	-174.5	178.7	178.5	-178.4	0	112.6	A260 I261 Q262	A260-K264 VanDerWaalsContact O-CB 3.25Å; A260-K264 WeakPolarHBondContact O-CB 3.3Å; A260-K264 PolarHBondContact O-N 3.45Å; I261-K264 PolarHBondContact O-N 3.23Å; Q262-K264 VanDerWaalsContact C-N 3.34Å; Q262-K264 PolarHBondContact O-N 3.33Å
265	N	88.1	Confident	88.4	Confident	48 Å²	48	69.9 Å²	69.9	26%	0.257	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	28.2	-170.5	-71	-9.9	0	0	0	111.5	I261 Q262 S267 Y268 F269	I261-N265 VanDerWaalsContact O-CB 3.3Å; I261-N265 WeakPolarHBondContact O-CB 3.44Å; I261-N265 PolarHBondContact O-N 2.89Å; Q262-N265 CarbonylContact O-C 3.6Å; Q262-N265 PolarHBondContact O-N 3.15Å; N265-S267 PolarHBondContact O-N 3.12Å; N265-S267 VanDerWaalsContact O-N 3.09Å; N265-Y268 HydrophobicContact CB-CD2 3.82Å; N265-Y268 WeakPolarHBondContact O-CB 3.22Å; N265-Y268 PolarHBondContact O-N 3.38Å; N265-F269 HydrophobicContact CB-CE2 4.17Å; N265-F269 WeakPolarHBondContact O-CD2 3.32Å
266	S	86.7	Confident	88.3	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-55.3	-34.5	-170.3	60.3	0	0	0	0	113	Q262 Y268 F269	Q262-S266 WeakPolarHBondContact O-CA 3.44Å; Q262-S266 PolarHBondContact O-N 3.47Å; S266-Y268 PolarHBondContact O-N 3.45Å; S266-Y268 VanDerWaalsContact O-N 3.17Å; S266-F269 PolarHBondContact O-N 3Å; S266-F269 VanDerWaalsContact O-O 3.08Å
267	S	88.7	Confident	88.2	Confident	74 Å²	74	62.2 Å²	62.2	52%	0.517	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.2	176.8	61.1	0	0	0	0	115	N265	N265-S267 PolarHBondContact O-N 3.12Å; N265-S267 VanDerWaalsContact O-N 3.09Å
268	Y	90.4	Very high	88	Confident	82 Å²	82	63.3 Å²	63.3	32%	0.322	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93.8	-1.9	178.1	-59.5	-69.1	0	0	0	112.6	R234 R237 Y238 N265 S266	R234-Y268 HydrophobicContact CB-CE1 3.99Å; R234-Y268 HydrophobicContact CG-CE1 4.39Å; R234-Y268 WeakPolarHBondContact O-CE1 3.42Å; R237-Y268 CarbonylContact C-O 3.39Å; R237-Y268 VanDerWaalsContact CA-O 3.29Å; R237-Y268 WeakPolarHBondContact CA-O 3.15Å; Y238-Y268 PolarHBondContact N-O 3.24Å; N265-Y268 HydrophobicContact CB-CD2 3.82Å; N265-Y268 WeakPolarHBondContact O-CB 3.22Å; N265-Y268 PolarHBondContact O-N 3.38Å; S266-Y268 PolarHBondContact O-N 3.45Å; S266-Y268 VanDerWaalsContact O-N 3.17Å
269	F	91.1	Very high	87.9	Confident	13 Å²	13	64.4 Å²	64.4	6%	0.057	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-108.6	141.8	172	-65.4	-90.2	0	0	0	108.1	F222 Y238 V241 Q262 N265 S266 V277	F222-F269 HydrophobicContact CE1-CE1 4.29Å; F222-F269 AromaticContact CE1-CZ 3.77Å; F222-F269 HydrophobicContact CE1-CZ 3.77Å; F222-F269 HydrophobicContact CZ-CZ 4.26Å; Y238-F269 HydrophobicContact CD2-CD1 4.35Å; Y238-F269 HydrophobicContact CD2-CE1 4.04Å; Y238-F269 HydrophobicContact CD2-CZ 4.27Å; Y238-F269 HydrophobicContact CG-CE1 4.36Å; V241-F269 HydrophobicContact CG2-CE1 3.99Å; Q262-F269 HydrophobicContact CG-CE1 4.4Å; Q262-F269 HydrophobicContact CG-CE2 4.22Å; Q262-F269 HydrophobicContact CG-CZ 4.1Å; N265-F269 HydrophobicContact CB-CE2 4.17Å; N265-F269 WeakPolarHBondContact O-CD2 3.32Å; S266-F269 PolarHBondContact O-N 3Å; S266-F269 VanDerWaalsContact O-O 3.08Å; F269-V277 HydrophobicContact CD1-CG2 4.11Å; F269-V277 HydrophobicContact CE1-CG2 3.67Å; F269-V277 HydrophobicContact CZ-CG2 4.46Å
270	V	90.5	Very high	87.7	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	33%	0.328	C	S	.	.			trans	-66.7	136.9	173.6	-64.3	0	0	0	0	110.7	R237 Y238 L239 W272 I273	R237-V270 HydrophobicContact CB-CG1 3.92Å; Y238-V270 WeakPolarHBondContact O-CG2 3.41Å; Y238-V270 PolarHBondContact O-N 3.47Å; Y238-V270 VanDerWaalsContact O-N 3.08Å; L239-V270 HydrophobicContact CD2-CG1 3.81Å; L239-V270 HydrophobicContact CD2-CG2 4.46Å; V270-W272 HydrophobicContact CB-CD2 4.42Å; V270-W272 HydrophobicContact CB-CZ2 4.1Å; V270-W272 HydrophobicContact CG1-CZ2 4.06Å; V270-W272 HydrophobicContact CG2-CD2 4.44Å; V270-W272 HydrophobicContact CG2-CZ2 4.05Å; V270-I273 HydrophobicContact CG2-CB 3.9Å; V270-I273 HydrophobicContact CG2-CD1 3.96Å; V270-I273 HydrophobicContact CG2-CG1 3.77Å
271	E	85.4	Confident	87.5	Confident	146 Å²	146	58.7 Å²	58.7	68%	0.682	31%	0.314	S	S	*	.	S	Bend	trans	-82	-27.6	-175.5	-62.3	-176	168.4	0	0	112.4
272	W	84.7	Confident	87.4	Confident	40 Å²	40	57.9 Å²	57.9	15%	0.152	31%	0.31	C	S	.	.	S	Bend	trans	-79.1	-16.5	-175.8	52.5	-98.2	0	0	0	113.8	F188 L239 V270 P274 Y353 A358	F188-W272 AromaticContact CE2-CH2 3.54Å; F188-W272 HydrophobicContact CE2-CH2 3.54Å; F188-W272 HydrophobicContact CE2-CZ2 4.43Å; F188-W272 HydrophobicContact CE2-CZ3 4.07Å; F188-W272 AromaticContact CZ-CH2 3.94Å; F188-W272 HydrophobicContact CZ-CH2 3.94Å; F188-W272 HydrophobicContact CZ-CZ3 4.04Å; L239-W272 HydrophobicContact CD2-CH2 4.11Å; L239-W272 HydrophobicContact CD2-CZ2 3.76Å; V270-W272 HydrophobicContact CB-CD2 4.42Å; V270-W272 HydrophobicContact CB-CZ2 4.1Å; V270-W272 HydrophobicContact CG1-CZ2 4.06Å; V270-W272 HydrophobicContact CG2-CD2 4.44Å; V270-W272 HydrophobicContact CG2-CZ2 4.05Å; W272-P274 WeakPolarHBondContact O-CD 3.49Å; W272-Y353 HydrophobicContact CZ2-CD1 4.28Å; W272-A358 HydrophobicContact CB-CB 4.44Å
273	I	84.9	Confident	87.4	Confident	31 Å²	31	60.5 Å²	60.5	16%	0.159	33%	0.325	C	S	.	.	S	Bend	trans	-97.8	97.2	166.4	-52	-176.6	0	0	0	109.5	P187 T240 V270 N276	P187-I273 HydrophobicContact CB-CD1 3.99Å; P187-I273 HydrophobicContact CG-CD1 4.16Å; T240-I273 HydrophobicContact CG2-CD1 4.3Å; V270-I273 HydrophobicContact CG2-CB 3.9Å; V270-I273 HydrophobicContact CG2-CD1 3.96Å; V270-I273 HydrophobicContact CG2-CG1 3.77Å; I273-N276 HydrophobicContact CB-CB 4.09Å; I273-N276 HydrophobicContact CG2-CB 3.72Å
274	P	81.9	Confident	87.4	Confident	100 Å²	100	60.1 Å²	60.1	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	141.1	175.3	28.3	-34.8	0	0	0	110.9	W272 N276	W272-P274 WeakPolarHBondContact O-CD 3.49Å; P274-N276 VanDerWaalsContact C-N 3.34Å; P274-N276 PolarHBondContact O-N 3.12Å
275	N	82.4	Confident	87.4	Confident	124 Å²	124	54.3 Å²	54.3	66%	0.663	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	44.9	176.3	-56.1	-50.3	0	0	0	114.1	V277 K278	N275-V277 PolarHBondContact O-N 3.06Å; N275-K278 PolarHBondContact O-NZ 2.99Å
276	N	86.6	Confident	87.4	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.064	29%	0.291	C	S	.	.			trans	-72.8	-5.6	-178.1	66.7	-11.8	0	0	0	115.4	Y238 L239 T240 V241 I273 P274	Y238-N276 PolarHBondContact O-ND2 3.33Å; L239-N276 WeakPolarHBondContact O-CB 3.46Å; L239-N276 PolarHBondContact O-ND2 3.15Å; T240-N276 WeakPolarHBondContact CA-O 3.4Å; V241-N276 PolarHBondContact N-O 3.17Å; I273-N276 HydrophobicContact CB-CB 4.09Å; I273-N276 HydrophobicContact CG2-CB 3.72Å; P274-N276 VanDerWaalsContact C-N 3.34Å; P274-N276 PolarHBondContact O-N 3.12Å
277	V	88.7	Confident	87.3	Confident	17 Å²	17	61.6 Å²	61.6	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.3	176.5	-175.4	0	0	0	0	110.6	V241 M258 Q262 F269 N275 V279	V241-V277 HydrophobicContact CB-CG1 4.34Å; V241-V277 HydrophobicContact CB-CG2 4.18Å; V241-V277 HydrophobicContact CG1-CG1 4.3Å; V241-V277 CarbonylContact O-C 3.58Å; V241-V277 VanDerWaalsContact O-CA 3.32Å; V241-V277 WeakPolarHBondContact O-CA 3.2Å; M258-V277 HydrophobicContact CE-CG1 3.37Å; Q262-V277 VanDerWaalsContact CD-CG2 3.46Å; Q262-V277 HydrophobicContact CG-CG2 3.81Å; Q262-V277 VanDerWaalsContact NE2-CG2 3.32Å; F269-V277 HydrophobicContact CD1-CG2 4.11Å; F269-V277 HydrophobicContact CE1-CG2 3.67Å; F269-V277 HydrophobicContact CZ-CG2 4.46Å; N275-V277 PolarHBondContact O-N 3.06Å; V277-V279 HydrophobicContact CG1-CG2 4.49Å
278	K	88.3	Confident	87	Confident	77 Å²	77	61 Å²	61	34%	0.335	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.6	173.7	-57.1	-52.3	-176.7	-152.3	0	110.7	N184 V241 A242 T243 N275	N184-K278 HydrophobicContact CB-CG 4.2Å; N184-K278 WeakPolarHBondContact OD1-CE 3.31Å; V241-K278 PolarHBondContact O-N 3.06Å; A242-K278 CarbonylContact C-O 3.58Å; A242-K278 WeakPolarHBondContact CA-O 3.45Å; T243-K278 PolarHBondContact N-O 2.98Å; T243-K278 PolarHBondContact OG1-O 3.02Å; N275-K278 PolarHBondContact O-NZ 2.99Å
279	V	88.3	Confident	86.8	Confident	28 Å²	28	58.8 Å²	58.8	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.1	-178.5	-175.7	0	0	0	0	108.8	T243 F245 V254 M258 V277 V281	T243-V279 CarbonylContact O-C 3.49Å; F245-V279 HydrophobicContact CD2-CG1 3.92Å; F245-V279 HydrophobicContact CE2-CG1 4.11Å; V254-V279 HydrophobicContact CG1-CG1 3.51Å; M258-V279 HydrophobicContact CB-CG2 4.27Å; M258-V279 HydrophobicContact CE-CG2 4.45Å; M258-V279 HydrophobicContact CG-CG2 3.82Å; V277-V279 HydrophobicContact CG1-CG2 4.49Å; V279-V281 HydrophobicContact CG1-CG2 4.42Å
280	A	87	Confident	86.7	Confident	14 Å²	14	66.8 Å²	66.8	12%	0.116	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.3	171.4	0	0	0	0	0	109.6	L174 T243 V244 F245	L174-A280 HydrophobicContact CD2-CB 4.35Å; T243-A280 PolarHBondContact O-N 2.98Å; V244-A280 CarbonylContact C-O 3.52Å; V244-A280 WeakPolarHBondContact CA-O 3.38Å; V244-A280 HydrophobicContact CG2-CB 4.4Å; F245-A280 PolarHBondContact N-O 3.21Å
281	V	87.5	Confident	86.6	Confident	22 Å²	22	68 Å²	68	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130	177.6	-174.8	0	0	0	0	109.5	F245 M249 M251 V279	F245-V281 HydrophobicContact CB-CG2 4.3Å; F245-V281 CarbonylContact O-C 3.52Å; F245-V281 WeakPolarHBondContact O-CA 3.21Å; M249-V281 HydrophobicContact CG-CG1 4.08Å; M251-V281 HydrophobicContact CG-CB 4.4Å; M251-V281 HydrophobicContact CG-CG2 4.06Å; V279-V281 HydrophobicContact CG1-CG2 4.42Å
282	C	88.4	Confident	86.9	Confident	6 Å²	6	61 Å²	61	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.3	175.3	-178.8	0	0	0	0	110.1	T166 F245 R246 G247 I284	T166-C282 HydrophobicContact CG2-CB 3.66Å; F245-C282 PolarHBondContact O-N 3.02Å; R246-C282 CarbonylContact C-O 3.49Å; R246-C282 VanDerWaalsContact CA-O 3.26Å; R246-C282 WeakPolarHBondContact CA-O 3.26Å; R246-C282 HydrophobicContact CG-CB 4.36Å; G247-C282 PolarHBondContact N-O 3.14Å; C282-I284 PolarHBondContact O-N 2.93Å
283	D	87.2	Confident	87.2	Confident	99 Å²	99	59.1 Å²	59.1	53%	0.529	31%	0.312	S	S	.	.	S	Bend	trans	-69.6	-17.1	-177.8	-69.6	-31.5	0	0	0	113.7	P285	D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.36Å
284	I	88.5	Confident	87.6	Confident	77 Å²	77	57.7 Å²	57.7	40%	0.395	31%	0.305	S	S	.	.			trans	-93.7	106.3	-173.8	-60.7	170.4	0	0	0	110.1	F170 R246 C282	F170-I284 HydrophobicContact CB-CD1 4.27Å; F170-I284 HydrophobicContact CD1-CB 4.44Å; F170-I284 HydrophobicContact CD1-CD1 3.28Å; F170-I284 HydrophobicContact CD1-CG1 4.41Å; F170-I284 HydrophobicContact CD1-CG2 4.46Å; F170-I284 HydrophobicContact CE1-CD1 3.74Å; F170-I284 HydrophobicContact CE1-CG2 4.09Å; F170-I284 HydrophobicContact CG-CD1 3.91Å; F170-I284 HydrophobicContact CZ-CG2 4.11Å; R246-I284 PolarHBondContact NE-O 3.49Å; R246-I284 PolarHBondContact NH2-O 2.97Å; C282-I284 PolarHBondContact O-N 2.93Å
285	P	89.2	Confident	88.1	Confident	54 Å²	54	52.9 Å²	52.9	35%	0.351	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-72.8	159.4	179.9	33.1	-36.3	0	0	0	111.7	D283 L289 K290	D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.36Å; P285-L289 WeakPolarHBondContact CB-O 3.34Å; P285-K290 WeakPolarHBondContact CB-O 3.27Å
286	P	88.1	Confident	88.6	Confident	23 Å²	23	47 Å²	47	15%	0.149	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-72.3	162.4	173.3	31.6	-35	0	0	0	111.8	G288 L289 S292	P286-G288 PolarHBondContact O-N 2.93Å; P286-L289 HydrophobicContact CG-CB 4.15Å; P286-L289 HydrophobicContact CG-CD1 4.15Å; P286-L289 PolarHBondContact O-N 3.2Å; P286-L289 VanDerWaalsContact O-O 3.13Å; P286-S292 VanDerWaalsContact CD-OG 3.29Å; P286-S292 WeakPolarHBondContact CD-OG 3.3Å; P286-S292 VanDerWaalsContact CG-OG 3.26Å; P286-S292 WeakPolarHBondContact CG-OG 3.32Å
287	R	85.8	Confident	89	Confident	249 Å²	249	46.5 Å²	46.5	94%	0.94	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	127	-178.2	-175.1	179.8	177.6	-174.5	-0.5	111	L289	R287-L289 VanDerWaalsContact C-N 3.35Å
288	G	83.2	Confident	89.2	Confident	62 Å²	62	45.7 Å²	45.7	64%	0.639	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	-0.5	175.1	0	0	0	0	0	115.2	Q207 P286	Q207-G288 PolarHBondContact NE2-O 2.69Å; P286-G288 PolarHBondContact O-N 2.93Å
289	L	85.6	Confident	89.5	Confident	36 Å²	36	42 Å²	42	19%	0.188	22%	0.219	C	C	.	.			trans	-127.3	149.5	175.8	-61.3	169.8	0	0	0	110.1	F198 P200 P285 P286 R287	F198-L289 HydrophobicContact CE1-CD1 4.33Å; F198-L289 HydrophobicContact CZ-CD1 4.09Å; P200-L289 HydrophobicContact CG-CD1 4.29Å; P200-L289 HydrophobicContact CG-CD2 4.16Å; P285-L289 WeakPolarHBondContact CB-O 3.34Å; P286-L289 HydrophobicContact CG-CB 4.15Å; P286-L289 HydrophobicContact CG-CD1 4.15Å; P286-L289 PolarHBondContact O-N 3.2Å; P286-L289 VanDerWaalsContact O-O 3.13Å; R287-L289 VanDerWaalsContact C-N 3.35Å
290	K	87.7	Confident	89.8	Confident	181 Å²	181	40.7 Å²	40.7	79%	0.787	21%	0.211	S	C	*	.	S	Bend	trans	-84.9	-34.1	174.1	-69.1	-176.3	178.6	178.5	0	112.2	P285	P285-K290 WeakPolarHBondContact CB-O 3.27Å
291	M	89.8	Confident	90.2	Very high	30 Å²	30	40 Å²	40	15%	0.148	21%	0.205	C	C	.	.			trans	-143.2	147.2	177.4	-61.7	-174.1	-66.2	0	0	109.4	L212 L217 R246 M249	L212-M291 HydrophobicContact CB-CE 4.29Å; L212-M291 WeakPolarHBondContact O-CE 3.47Å; L217-M291 HydrophobicContact CD1-CB 3.89Å; R246-M291 CarbonylContact O-C 3.56Å; R246-M291 WeakPolarHBondContact O-CA 3.31Å; M249-M291 HydrophobicContact CB-SD 4.34Å; M249-M291 HydrophobicContact CE-CB 4.41Å; M249-M291 HydrophobicContact CE-CG 4.32Å; M249-M291 HydrophobicContact CE-SD 4.35Å
292	S	91.6	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165.2	170.4	68.4	0	0	0	0	109.8	A199 R246 P286	A199-S292 CarbonylContact O-C 3.58Å; A199-S292 WeakPolarHBondContact O-CA 3.44Å; A199-S292 WeakPolarHBondContact O-CB 3.43Å; R246-S292 PolarHBondContact N-O 2.86Å; R246-S292 PolarHBondContact O-N 3.4Å; P286-S292 VanDerWaalsContact CD-OG 3.29Å; P286-S292 WeakPolarHBondContact CD-OG 3.3Å; P286-S292 VanDerWaalsContact CG-OG 3.26Å; P286-S292 WeakPolarHBondContact CG-OG 3.32Å
293	S	91.4	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.6	170.3	57.5	0	0	0	0	110.1	A199 M221 V244	A199-S293 PolarHBondContact N-O 3.46Å; A199-S293 PolarHBondContact O-N 3.17Å; A199-S293 VanDerWaalsContact O-O 3.05Å; M221-S293 WeakPolarHBondContact CG-OG 3.3Å; M221-S293 WeakPolarHBondContact SD-CB 3.37Å; M221-S293 PolarHBondContact SD-OG 3.01Å; V244-S293 CarbonylContact O-C 3.59Å; V244-S293 WeakPolarHBondContact O-CA 3.48Å
294	T	92.6	Very high	90.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.1	175.6	-54.9	0	0	0	0	107.9	G163 V164 M221 T243 V244	G163-T294 WeakPolarHBondContact CA-OG1 3.2Å; V164-T294 HydrophobicContact CG2-CG2 4.12Å; M221-T294 WeakPolarHBondContact CE-O 3.29Å; T243-T294 CarbonylContact C-O 3.58Å; T243-T294 WeakPolarHBondContact CA-O 3.39Å; V244-T294 PolarHBondContact N-O 3.49Å; V244-T294 PolarHBondContact O-N 2.82Å
295	F	93.2	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.4	-179.4	177.8	-96.2	0	0	0	108.5	P196 G197 M221 F222 M227 Y238 V241 T243	P196-F295 CarbonylContact C-O 3.58Å; P196-F295 WeakPolarHBondContact CA-O 3.31Å; G197-F295 PolarHBondContact N-O 2.93Å; G197-F295 PolarHBondContact O-N 3.22Å; M221-F295 HydrophobicContact CB-CB 4.27Å; M221-F295 HydrophobicContact CB-CD2 4.34Å; M221-F295 HydrophobicContact CE-CB 3.64Å; M221-F295 HydrophobicContact CE-CD2 4.08Å; M221-F295 HydrophobicContact CE-CG 4.37Å; M221-F295 HydrophobicContact CG-CB 4.44Å; F222-F295 HydrophobicContact CD1-CE2 4.14Å; F222-F295 AromaticContact CE1-CE2 3.72Å; F222-F295 HydrophobicContact CE1-CE2 3.72Å; F222-F295 HydrophobicContact CE1-CZ 4.38Å; F222-F295 AromaticContact CZ-CE2 3.97Å; F222-F295 HydrophobicContact CZ-CE2 3.97Å; M227-F295 HydrophobicContact CE-CD1 3.77Å; M227-F295 HydrophobicContact CE-CE1 3.47Å; M227-F295 VanDerWaalsContact CE-CE1 3.47Å; M227-F295 HydrophobicContact CE-CZ 3.98Å; M227-F295 HydrophobicContact SD-CD1 3.72Å; M227-F295 HydrophobicContact SD-CE1 3.74Å; Y238-F295 HydrophobicContact CD1-CZ 4.3Å; Y238-F295 HydrophobicContact CE1-CE1 4.11Å; Y238-F295 AromaticContact CE1-CZ 3.52Å; Y238-F295 HydrophobicContact CE1-CZ 3.52Å; Y238-F295 AromaticContact CZ-CZ 3.8Å; V241-F295 HydrophobicContact CB-CE2 4.45Å; V241-F295 HydrophobicContact CG1-CD2 3.97Å; V241-F295 HydrophobicContact CG1-CE2 3.35Å; V241-F295 HydrophobicContact CG1-CZ 4.07Å; V241-F295 HydrophobicContact CG2-CE2 4.28Å; V241-F295 HydrophobicContact CG2-CZ 4.3Å; T243-F295 HydrophobicContact CG2-CD2 4.18Å
296	I	93.1	Very high	91.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	107.4	171.2	-51.3	167.4	0	0	0	104.9	Y128 V164 L181 M185 F194 V241 A242	Y128-I296 HydrophobicContact CD1-CG2 4.42Å; Y128-I296 HydrophobicContact CE1-CD1 4.08Å; Y128-I296 HydrophobicContact CE1-CG1 4.25Å; Y128-I296 HydrophobicContact CE1-CG2 3.8Å; V164-I296 HydrophobicContact CB-CD1 4.35Å; V164-I296 HydrophobicContact CG1-CD1 4.06Å; V164-I296 HydrophobicContact CG2-CD1 3.89Å; V164-I296 HydrophobicContact CG2-CG1 4.04Å; L181-I296 HydrophobicContact CD2-CD1 4.49Å; M185-I296 HydrophobicContact CE-CB 4.36Å; M185-I296 HydrophobicContact CE-CG2 3.94Å; M185-I296 VanDerWaalsContact CE-O 3.3Å; M185-I296 WeakPolarHBondContact CE-O 3.29Å; F194-I296 HydrophobicContact CB-CG2 3.74Å; F194-I296 HydrophobicContact CD1-CG2 4.46Å; F194-I296 HydrophobicContact CD2-CG2 3.8Å; F194-I296 HydrophobicContact CG-CG2 3.75Å; V241-I296 WeakPolarHBondContact CA-O 3.49Å; A242-I296 HydrophobicContact CB-CB 4.26Å; A242-I296 HydrophobicContact CB-CD1 4.45Å; A242-I296 PolarHBondContact N-O 3.39Å; A242-I296 PolarHBondContact O-N 3.35Å
297	G	93.1	Very high	91.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129	178.2	0	0	0	0	0	110.6	F194 M195	F194-G297 WeakPolarHBondContact CA-O 3.22Å; M195-G297 PolarHBondContact N-O 3.12Å; M195-G297 PolarHBondContact O-N 2.96Å
298	N	94.6	Very high	91.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.3	159.2	-166.9	-13.2	0	0	0	107.2	M185 L191 F194 L239 T240	M185-N298 HydrophobicContact CE-CB 4.35Å; M185-N298 PolarHBondContact O-ND2 2.88Å; L191-N298 PolarHBondContact O-ND2 2.9Å; F194-N298 HydrophobicContact CD1-CB 3.89Å; F194-N298 HydrophobicContact CE1-CB 3.99Å; L239-N298 HydrophobicContact CB-CB 4.4Å; L239-N298 PolarHBondContact N-O 3.15Å; T240-N298 PolarHBondContact N-O 3.46Å; T240-N298 PolarHBondContact O-N 3.08Å; T240-N298 WeakPolarHBondContact OG1-CB 3.38Å
299	S	94.3	Very high	91.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.5	-174.2	-175.1	0	0	0	0	110.4	R237 A301 I302	R237-S299 WeakPolarHBondContact O-CA 3.37Å; R237-S299 PolarHBondContact O-OG 3.27Å; S299-A301 PolarHBondContact O-N 2.8Å; S299-A301 VanDerWaalsContact O-N 3.15Å; S299-A301 PolarHBondContact OG-N 2.85Å; S299-I302 WeakPolarHBondContact O-CB 3.33Å; S299-I302 WeakPolarHBondContact O-CG2 3.16Å; S299-I302 PolarHBondContact O-N 3.15Å; S299-I302 VanDerWaalsContact O-N 3.15Å
300	T	94.6	Very high	92.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18.7	173.8	66.1	0	0	0	0	112.6	G236 R237 L239 I302 Q303 Y350 Q354	G236-T300 WeakPolarHBondContact CA-OG1 3.47Å; R237-T300 PolarHBondContact N-OG1 3.27Å; R237-T300 PolarHBondContact O-N 3.1Å; R237-T300 PolarHBondContact O-OG1 3.48Å; L239-T300 HydrophobicContact CD2-CG2 4.12Å; L239-T300 HydrophobicContact CG-CG2 4.27Å; T300-I302 PolarHBondContact O-N 2.95Å; T300-I302 VanDerWaalsContact O-N 3.17Å; T300-Q303 WeakPolarHBondContact O-CB 3.47Å; T300-Q303 WeakPolarHBondContact O-CG 3.26Å; T300-Q303 PolarHBondContact O-N 2.98Å; T300-Y350 HydrophobicContact CG2-CD1 4.41Å; T300-Y350 WeakPolarHBondContact CG2-O 3.1Å; T300-Q354 HydrophobicContact CG2-CB 3.97Å; T300-Q354 PolarHBondContact OG1-OE1 3.46Å
301	A	94.1	Very high	92.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-62.4	-18.9	175.1	0	0	0	0	0	113.4	C231 D232 S299 Q303 E304	C231-A301 HydrophobicContact CB-CB 4.38Å; C231-A301 WeakPolarHBondContact CB-O 3.23Å; D232-A301 WeakPolarHBondContact O-CB 3.32Å; S299-A301 PolarHBondContact O-N 2.8Å; S299-A301 VanDerWaalsContact O-N 3.15Å; S299-A301 PolarHBondContact OG-N 2.85Å; A301-Q303 PolarHBondContact O-N 2.8Å; A301-E304 PolarHBondContact O-N 3.43Å
302	I	93.8	Very high	92.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21.5	175.3	-163.4	70	0	0	0	112.2	C129 F193 M195 A229 S299 T300 E304 L305 F306 Y350	C129-I302 HydrophobicContact CB-CD1 4Å; F193-I302 HydrophobicContact CB-CG1 4.37Å; M195-I302 HydrophobicContact CG-CB 4.36Å; M195-I302 HydrophobicContact CG-CD1 3.59Å; M195-I302 HydrophobicContact CG-CG1 4.47Å; M195-I302 HydrophobicContact SD-CB 4.43Å; M195-I302 HydrophobicContact SD-CD1 4.38Å; A229-I302 HydrophobicContact CB-CD1 4.26Å; S299-I302 WeakPolarHBondContact O-CB 3.33Å; S299-I302 WeakPolarHBondContact O-CG2 3.16Å; S299-I302 PolarHBondContact O-N 3.15Å; S299-I302 VanDerWaalsContact O-N 3.15Å; T300-I302 PolarHBondContact O-N 2.95Å; T300-I302 VanDerWaalsContact O-N 3.17Å; I302-E304 PolarHBondContact O-N 3.28Å; I302-E304 VanDerWaalsContact O-N 3.12Å; I302-L305 HydrophobicContact CD1-CB 4.4Å; I302-L305 HydrophobicContact CD1-CD1 4.41Å; I302-L305 WeakPolarHBondContact O-CB 3.34Å; I302-L305 PolarHBondContact O-N 3.01Å; I302-F306 HydrophobicContact CG1-CE2 3.93Å; I302-F306 HydrophobicContact CG1-CZ 4.41Å; I302-F306 HydrophobicContact CG2-CD2 4.44Å; I302-F306 HydrophobicContact CG2-CE2 3.98Å; I302-F306 PolarHBondContact O-N 3.27Å; I302-Y350 HydrophobicContact CG2-CD1 4.04Å; I302-Y350 HydrophobicContact CG2-CD2 4.08Å; I302-Y350 HydrophobicContact CG2-CE1 3.59Å; I302-Y350 HydrophobicContact CG2-CE2 3.67Å; I302-Y350 HydrophobicContact CG2-CG 4.26Å; I302-Y350 VanDerWaalsContact CG2-CZ 3.41Å
303	Q	92.3	Very high	92.6	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-55.5	-28.1	173.9	73.9	173.4	-63.2	0	0	113.5	T300 A301 L305 F306 K307 V347 Q351	T300-Q303 WeakPolarHBondContact O-CB 3.47Å; T300-Q303 WeakPolarHBondContact O-CG 3.26Å; T300-Q303 PolarHBondContact O-N 2.98Å; A301-Q303 PolarHBondContact O-N 2.8Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 2.85Å; Q303-F306 PolarHBondContact O-N 3.44Å; Q303-K307 WeakPolarHBondContact O-CB 3.09Å; Q303-K307 VanDerWaalsContact O-CG 3.29Å; Q303-K307 WeakPolarHBondContact O-CG 3.46Å; Q303-K307 PolarHBondContact O-N 3Å; Q303-V347 HydrophobicContact CB-CG1 4.44Å; Q303-Q351 VanDerWaalsContact NE2-OE1 3.08Å; Q303-Q351 VanDerWaalsContact OE1-OE1 3.09Å
304	E	91.4	Very high	92.7	Very high	67 Å²	67	21.7 Å²	21.7	31%	0.313	10%	0.101	S	C	.	.	H	α-helix	trans	-62.3	-38.3	176.2	-66.4	-172.4	151.2	0	0	111.6	C231 D232 H235 A301 I302 R308	C231-E304 WeakPolarHBondContact CA-OE2 3.45Å; C231-E304 HydrophobicContact CB-CB 4.29Å; D232-E304 PolarHBondContact N-OE2 3Å; D232-E304 VanDerWaalsContact N-OE2 3.14Å; H235-E304 IonicContact CE1-OE1 3.7Å; H235-E304 IonicContact CG-OE1 3.77Å; H235-E304 IonicContact ND1-OE1 3.56Å; H235-E304 PolarHBondContact ND1-OE1 3.3Å; A301-E304 PolarHBondContact O-N 3.43Å; I302-E304 PolarHBondContact O-N 3.28Å; I302-E304 VanDerWaalsContact O-N 3.12Å; E304-R308 WeakPolarHBondContact O-CB 3.47Å; E304-R308 PolarHBondContact O-N 3.44Å
305	L	91.3	Very high	92.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-43.6	177.1	179.2	144.7	0	0	0	110.8	V98 D131 A229 I302 Q303 R308 I309	V98-L305 HydrophobicContact CB-CD1 4.3Å; V98-L305 HydrophobicContact CG1-CD1 4.11Å; V98-L305 HydrophobicContact CG1-CD2 3.99Å; V98-L305 HydrophobicContact CG1-CG 4.12Å; V98-L305 HydrophobicContact CG2-CD1 4.09Å; V98-L305 HydrophobicContact CG2-CD2 4.07Å; D131-L305 HydrophobicContact CB-CD1 4.18Å; A229-L305 HydrophobicContact CB-CD1 4.46Å; I302-L305 HydrophobicContact CD1-CB 4.4Å; I302-L305 HydrophobicContact CD1-CD1 4.41Å; I302-L305 WeakPolarHBondContact O-CB 3.34Å; I302-L305 PolarHBondContact O-N 3.01Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 2.85Å; L305-R308 PolarHBondContact O-N 3.37Å; L305-I309 HydrophobicContact CD2-CD1 3.88Å; L305-I309 WeakPolarHBondContact O-CG1 3.35Å; L305-I309 PolarHBondContact O-N 3.31Å
306	F	92.6	Very high	92.6	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-42.9	177.3	-64.2	-53.7	0	0	0	112.2	I117 F193 I302 Q303 R308 I309 S310 M343 L346 V347 Y350	I117-F306 HydrophobicContact CD1-CD1 3.98Å; I117-F306 HydrophobicContact CD1-CE1 3.85Å; I117-F306 HydrophobicContact CG1-CE1 4.32Å; I117-F306 HydrophobicContact CG2-CD1 4.33Å; I117-F306 HydrophobicContact CG2-CE1 3.86Å; F193-F306 HydrophobicContact CB-CE2 4.38Å; F193-F306 HydrophobicContact CB-CZ 4.08Å; F193-F306 HydrophobicContact CD1-CE1 4.44Å; F193-F306 AromaticContact CD1-CZ 3.74Å; F193-F306 HydrophobicContact CD1-CZ 3.74Å; F193-F306 HydrophobicContact CD2-CE2 4.37Å; F193-F306 AromaticContact CD2-CZ 3.93Å; F193-F306 HydrophobicContact CD2-CZ 3.93Å; F193-F306 HydrophobicContact CE1-CE1 4.5Å; F193-F306 HydrophobicContact CE1-CZ 4.12Å; F193-F306 HydrophobicContact CE2-CZ 4.3Å; F193-F306 HydrophobicContact CG-CE2 4.26Å; F193-F306 AromaticContact CG-CZ 3.63Å; F193-F306 HydrophobicContact CG-CZ 3.63Å; F193-F306 HydrophobicContact CZ-CZ 4.38Å; I302-F306 HydrophobicContact CG1-CE2 3.93Å; I302-F306 HydrophobicContact CG1-CZ 4.41Å; I302-F306 HydrophobicContact CG2-CD2 4.44Å; I302-F306 HydrophobicContact CG2-CE2 3.98Å; I302-F306 PolarHBondContact O-N 3.27Å; Q303-F306 PolarHBondContact O-N 3.44Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 2.81Å; F306-I309 PolarHBondContact O-N 3.5Å; F306-S310 WeakPolarHBondContact O-CB 3.39Å; F306-S310 PolarHBondContact O-N 3.21Å; F306-M343 HydrophobicContact CB-SD 3.92Å; F306-M343 HydrophobicContact CD1-SD 3.52Å; F306-M343 VanDerWaalsContact CD1-SD 3.52Å; F306-M343 HydrophobicContact CE1-SD 4.33Å; F306-M343 HydrophobicContact CG-SD 3.97Å; F306-L346 HydrophobicContact CD2-CD2 4.22Å; F306-L346 HydrophobicContact CE1-CD2 4.33Å; F306-L346 HydrophobicContact CE2-CD2 3.89Å; F306-L346 HydrophobicContact CZ-CD2 3.95Å; F306-V347 HydrophobicContact CB-CG2 3.52Å; F306-V347 HydrophobicContact CG-CG2 4.49Å; F306-Y350 HydrophobicContact CD2-CD2 4.5Å; F306-Y350 HydrophobicContact CD2-CE2 4.27Å; F306-Y350 HydrophobicContact CE2-CD2 4.46Å; F306-Y350 AromaticContact CE2-CE2 3.81Å; F306-Y350 HydrophobicContact CE2-CE2 3.81Å
307	K	92.4	Very high	92.6	Very high	84 Å²	84	27.2 Å²	27.2	37%	0.365	14%	0.137	S	C	.	.	H	α-helix	trans	-56.5	-44.6	174	-77.6	172.9	172.4	168.7	0	111.4	Q303 I309 S310 E311 V347	Q303-K307 WeakPolarHBondContact O-CB 3.09Å; Q303-K307 VanDerWaalsContact O-CG 3.29Å; Q303-K307 WeakPolarHBondContact O-CG 3.46Å; Q303-K307 PolarHBondContact O-N 3Å; K307-I309 PolarHBondContact O-N 2.99Å; K307-S310 PolarHBondContact O-N 3.24Å; K307-E311 WeakPolarHBondContact O-CB 3.41Å; K307-E311 WeakPolarHBondContact O-CG 3.39Å; K307-E311 PolarHBondContact O-N 3.29Å; K307-V347 HydrophobicContact CD-CG1 4.23Å; K307-V347 VanDerWaalsContact CE-CG1 3.42Å; K307-V347 HydrophobicContact CG-CG1 3.87Å; K307-V347 HydrophobicContact CG-CG2 4.38Å
308	R	90.7	Very high	92.6	Very high	43 Å²	43	37.1 Å²	37.1	16%	0.162	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-42.8	177.3	-175	-174.9	63.5	-157.3	-14	112.6	D131 E133 E304 L305 F306 Q312	D131-R308 IonicContact OD1-NH2 2.72Å; D131-R308 IonicContact OD2-CZ 3.79Å; D131-R308 VanDerWaalsContact OD2-CZ 3.28Å; D131-R308 IonicContact OD2-NH1 3.91Å; D131-R308 PolarHBondContact OD2-NH1 3.03Å; D131-R308 IonicContact OD2-NH2 2.84Å; D131-R308 PolarHBondContact OD2-NH2 2.54Å; E133-R308 IonicContact OE2-CZ 3.1Å; E133-R308 IonicContact OE2-NH1 3.28Å; E133-R308 PolarHBondContact OE2-NH1 3.47Å; E304-R308 WeakPolarHBondContact O-CB 3.47Å; E304-R308 PolarHBondContact O-N 3.44Å; L305-R308 PolarHBondContact O-N 3.37Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 2.81Å; R308-Q312 WeakPolarHBondContact O-CG 3.41Å; R308-Q312 PolarHBondContact O-N 3.31Å
309	I	90.9	Very high	92.5	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-45.1	178.1	-62.8	166.5	0	0	0	110	V98 A113 I117 L305 F306 K307 E311 Q312 F313	V98-I309 HydrophobicContact CG1-CD1 3.61Å; V98-I309 HydrophobicContact CG1-CG1 4.39Å; A113-I309 HydrophobicContact CB-CD1 4.48Å; A113-I309 HydrophobicContact CB-CG2 3.97Å; I117-I309 HydrophobicContact CD1-CD1 3.83Å; L305-I309 HydrophobicContact CD2-CD1 3.88Å; L305-I309 WeakPolarHBondContact O-CG1 3.35Å; L305-I309 PolarHBondContact O-N 3.31Å; F306-I309 PolarHBondContact O-N 3.5Å; K307-I309 PolarHBondContact O-N 2.99Å; I309-E311 PolarHBondContact O-N 2.68Å; I309-Q312 PolarHBondContact O-N 2.9Å; I309-F313 WeakPolarHBondContact O-CB 3.37Å; I309-F313 PolarHBondContact O-N 3.4Å
310	S	92.4	Very high	92.4	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-47.7	178.9	-175.3	0	0	0	0	111.4	F306 K307 Q312 F313 T314 N344	F306-S310 WeakPolarHBondContact O-CB 3.39Å; F306-S310 PolarHBondContact O-N 3.21Å; K307-S310 PolarHBondContact O-N 3.24Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 PolarHBondContact O-N 3.37Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 3.1Å; S310-F313 VanDerWaalsContact O-N 3.16Å; S310-T314 WeakPolarHBondContact O-CB 3.43Å; S310-T314 PolarHBondContact O-N 2.81Å; S310-T314 PolarHBondContact O-OG1 2.84Å; S310-N344 PolarHBondContact OG-OD1 3.28Å
311	E	92	Very high	92.2	Very high	142 Å²	142	54.2 Å²	54.2	66%	0.664	25%	0.249	S	C	*	.	H	α-helix	trans	-57.9	-42.6	177.3	-76.1	178.1	-175.2	0	0	113	K307 I309 A315	K307-E311 WeakPolarHBondContact O-CB 3.41Å; K307-E311 WeakPolarHBondContact O-CG 3.39Å; K307-E311 PolarHBondContact O-N 3.29Å; I309-E311 PolarHBondContact O-N 2.68Å; E311-A315 WeakPolarHBondContact O-CB 3.32Å; E311-A315 PolarHBondContact O-N 3.24Å
312	Q	90.6	Very high	92.1	Very high	66 Å²	66	57.9 Å²	57.9	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-40.7	177.9	-68.3	175.9	11	0	0	111.7	P101 P110 R308 I309 S310 A315 M316	P101-Q312 VanDerWaalsContact CG-NE2 3.35Å; P110-Q312 HydrophobicContact CB-CB 3.91Å; P110-Q312 HydrophobicContact CG-CB 3.67Å; R308-Q312 WeakPolarHBondContact O-CG 3.41Å; R308-Q312 PolarHBondContact O-N 3.31Å; I309-Q312 PolarHBondContact O-N 2.9Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 PolarHBondContact O-N 3.37Å; Q312-A315 PolarHBondContact O-N 2.87Å; Q312-M316 PolarHBondContact O-N 3.49Å
313	F	93.1	Very high	92	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-55	174.1	176.1	-82	0	0	0	110.7	P110 Y111 T114 I309 S310 A315 M316 F317 F336 E340	P110-F313 HydrophobicContact CB-CB 4.3Å; Y111-F313 AromaticContact CD1-CD2 3.57Å; Y111-F313 HydrophobicContact CD1-CD2 3.57Å; Y111-F313 AromaticContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CE2 3.43Å; Y111-F313 VanDerWaalsContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CG 4.49Å; Y111-F313 HydrophobicContact CD1-CZ 4.21Å; Y111-F313 HydrophobicContact CE1-CD2 4.13Å; Y111-F313 AromaticContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CZ 4.36Å; Y111-F313 HydrophobicContact CG-CD2 4.49Å; T114-F313 VanDerWaalsContact CB-CD2 3.5Å; T114-F313 HydrophobicContact CG2-CD2 3.83Å; T114-F313 HydrophobicContact CG2-CE2 3.77Å; T114-F313 HydrophobicContact CG2-CG 4.29Å; T114-F313 HydrophobicContact CG2-CZ 4.26Å; T114-F313 VanDerWaalsContact OG1-CD2 3.28Å; T114-F313 WeakPolarHBondContact OG1-CD2 3.29Å; I309-F313 WeakPolarHBondContact O-CB 3.37Å; I309-F313 PolarHBondContact O-N 3.4Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 3.1Å; S310-F313 VanDerWaalsContact O-N 3.16Å; F313-A315 VanDerWaalsContact C-N 3.27Å; F313-A315 PolarHBondContact O-N 3.02Å; F313-M316 PolarHBondContact O-N 2.87Å; F313-F317 HydrophobicContact CD1-CB 4.24Å; F313-F317 HydrophobicContact CE1-CB 3.93Å; F313-F317 HydrophobicContact CE1-CD1 4.18Å; F313-F317 HydrophobicContact CE1-CG 4.03Å; F313-F317 HydrophobicContact CZ-CB 4.49Å; F313-F317 HydrophobicContact CZ-CG 4.39Å; F313-F317 WeakPolarHBondContact O-CB 3.37Å; F313-F317 PolarHBondContact O-N 2.72Å; F313-F336 AromaticContact CE2-CD1 3.9Å; F313-F336 HydrophobicContact CE2-CD1 3.9Å; F313-F336 HydrophobicContact CZ-CB 4.09Å; F313-F336 AromaticContact CZ-CD1 3.89Å; F313-F336 HydrophobicContact CZ-CD1 3.89Å; F313-F336 WeakPolarHBondContact CZ-O 3.36Å; F313-E340 HydrophobicContact CD1-CB 4.21Å; F313-E340 HydrophobicContact CD1-CG 4Å; F313-E340 HydrophobicContact CE1-CB 3.62Å; F313-E340 HydrophobicContact CE1-CG 3.83Å; F313-E340 HydrophobicContact CZ-CB 4.2Å
314	T	93.8	Very high	92	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.153	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-40.2	-179.1	-55.1	0	0	0	0	111.1	S310 M316 F317 R318 E340	S310-T314 WeakPolarHBondContact O-CB 3.43Å; S310-T314 PolarHBondContact O-N 2.81Å; S310-T314 PolarHBondContact O-OG1 2.84Å; T314-M316 VanDerWaalsContact C-N 3.3Å; T314-M316 PolarHBondContact O-N 3.31Å; T314-F317 PolarHBondContact O-N 2.9Å; T314-R318 HydrophobicContact CG2-CG 4.16Å; T314-R318 VanDerWaalsContact CG2-NE 3.31Å; T314-R318 VanDerWaalsContact O-CB 3.32Å; T314-R318 WeakPolarHBondContact O-CB 3.46Å; T314-R318 VanDerWaalsContact O-CG 3.22Å; T314-R318 WeakPolarHBondContact O-CG 2.83Å; T314-R318 PolarHBondContact O-N 3.4Å; T314-E340 WeakPolarHBondContact CB-OE1 3.49Å; T314-E340 PolarHBondContact OG1-OE1 3.49Å
315	A	91.9	Very high	92	Very high	58 Å²	58	65.8 Å²	65.8	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-37.3	177.8	0	0	0	0	0	112.8	E311 Q312 F313	E311-A315 WeakPolarHBondContact O-CB 3.32Å; E311-A315 PolarHBondContact O-N 3.24Å; Q312-A315 PolarHBondContact O-N 2.87Å; F313-A315 VanDerWaalsContact C-N 3.27Å; F313-A315 PolarHBondContact O-N 3.02Å
316	M	91.7	Very high	92.2	Very high	28 Å²	28	65.8 Å²	65.8	14%	0.138	30%	0.297	C	S	.	.	H	α-helix	trans	-78.1	-45	175.6	-69	-157.8	-66.7	0	0	112.6	V107 P110 Y111 Q312 F313 T314 R318 R319 K320 A321	V107-M316 VanDerWaalsContact O-CE 3.29Å; V107-M316 WeakPolarHBondContact O-CE 3.41Å; P110-M316 HydrophobicContact CB-CE 3.69Å; P110-M316 HydrophobicContact CG-CE 3.68Å; Y111-M316 HydrophobicContact CD2-CE 3.64Å; Y111-M316 HydrophobicContact CD2-SD 4.46Å; Y111-M316 HydrophobicContact CE1-CB 4.36Å; Y111-M316 HydrophobicContact CE2-CB 3.97Å; Y111-M316 HydrophobicContact CE2-CE 3.77Å; Y111-M316 HydrophobicContact CE2-SD 4.13Å; Y111-M316 HydrophobicContact CG-CE 4.08Å; Y111-M316 PolarHBondContact OH-O 3.1Å; Q312-M316 PolarHBondContact O-N 3.49Å; F313-M316 PolarHBondContact O-N 2.87Å; T314-M316 VanDerWaalsContact C-N 3.3Å; T314-M316 PolarHBondContact O-N 3.31Å; M316-R318 PolarHBondContact O-N 3.21Å; M316-R319 CarbonylContact O-C 3.6Å; M316-R319 PolarHBondContact O-N 2.84Å; M316-K320 PolarHBondContact O-N 3.19Å; M316-A321 PolarHBondContact O-N 2.82Å
317	F	93.1	Very high	92.2	Very high	32 Å²	32	68.4 Å²	68.4	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-39.3	-175.3	-169.9	-122.2	0	0	0	111.8	Y111 F313 T314 R319 K320 L323 F336	Y111-F317 HydrophobicContact CE1-CB 4.03Å; Y111-F317 HydrophobicContact CE1-CD2 4.14Å; Y111-F317 WeakPolarHBondContact OH-CA 3.05Å; Y111-F317 PolarHBondContact OH-N 2.71Å; F313-F317 HydrophobicContact CD1-CB 4.24Å; F313-F317 HydrophobicContact CE1-CB 3.93Å; F313-F317 HydrophobicContact CE1-CD1 4.18Å; F313-F317 HydrophobicContact CE1-CG 4.03Å; F313-F317 HydrophobicContact CZ-CB 4.49Å; F313-F317 HydrophobicContact CZ-CG 4.39Å; F313-F317 WeakPolarHBondContact O-CB 3.37Å; F313-F317 PolarHBondContact O-N 2.72Å; T314-F317 PolarHBondContact O-N 2.9Å; F317-R319 PolarHBondContact O-N 2.63Å; F317-R319 VanDerWaalsContact O-N 3.1Å; F317-K320 WeakPolarHBondContact O-CA 3.42Å; F317-K320 PolarHBondContact O-N 3.38Å; F317-L323 HydrophobicContact CD2-CD1 4.47Å; F317-L323 HydrophobicContact CE2-CD1 4.19Å; F317-L323 HydrophobicContact CE2-CD2 4.26Å; F317-F336 HydrophobicContact CD2-CB 4.24Å; F317-F336 HydrophobicContact CE2-CB 3.6Å; F317-F336 HydrophobicContact CE2-CD1 4.5Å; F317-F336 HydrophobicContact CE2-CG 4.05Å; F317-F336 HydrophobicContact CZ-CB 3.82Å
318	R	92.8	Very high	92.2	Very high	208 Å²	208	67.3 Å²	67.3	79%	0.785	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	172.9	-77.7	179.4	-175.3	174.5	8.2	113.7	T314 M316	T314-R318 HydrophobicContact CG2-CG 4.16Å; T314-R318 VanDerWaalsContact CG2-NE 3.31Å; T314-R318 VanDerWaalsContact O-CB 3.32Å; T314-R318 WeakPolarHBondContact O-CB 3.46Å; T314-R318 VanDerWaalsContact O-CG 3.22Å; T314-R318 WeakPolarHBondContact O-CG 2.83Å; T314-R318 PolarHBondContact O-N 3.4Å; M316-R318 PolarHBondContact O-N 3.21Å
319	R	93.3	Very high	92.3	Very high	213 Å²	213	67.8 Å²	67.8	80%	0.804	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.5	177.8	-63.1	-179.9	-178.1	176.5	2.7	112.7	M316 F317 A321	M316-R319 CarbonylContact O-C 3.6Å; M316-R319 PolarHBondContact O-N 2.84Å; F317-R319 PolarHBondContact O-N 2.63Å; F317-R319 VanDerWaalsContact O-N 3.1Å; R319-A321 HydrophobicContact CB-CB 4.5Å; R319-A321 PolarHBondContact O-N 3.29Å; R319-A321 VanDerWaalsContact O-N 3.11Å
320	K	91.6	Very high	92.2	Very high	115 Å²	115	70.7 Å²	70.7	50%	0.5	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	33.1	-171.1	-59.3	-167.2	167.9	-149.5	0	112.6	M316 F317 L323 E333	M316-K320 PolarHBondContact O-N 3.19Å; F317-K320 WeakPolarHBondContact O-CA 3.42Å; F317-K320 PolarHBondContact O-N 3.38Å; K320-L323 HydrophobicContact CB-CD2 4.15Å; K320-L323 HydrophobicContact CD-CD2 4.31Å; K320-L323 HydrophobicContact CG-CD2 4.2Å; K320-E333 IonicContact NZ-OE1 2.96Å; K320-E333 PolarHBondContact NZ-OE1 2.85Å; K320-E333 IonicContact NZ-OE2 2.66Å; K320-E333 PolarHBondContact NZ-OE2 2.8Å
321	A	90.5	Very high	92.2	Very high	31 Å²	31	70.4 Å²	70.4	26%	0.256	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	134.7	-178.2	0	0	0	0	0	109.7	Y111 M316 R319 L323	Y111-A321 VanDerWaalsContact CE2-O 3.23Å; Y111-A321 WeakPolarHBondContact CE2-O 3.38Å; Y111-A321 PolarHBondContact OH-O 3.47Å; M316-A321 PolarHBondContact O-N 2.82Å; R319-A321 HydrophobicContact CB-CB 4.5Å; R319-A321 PolarHBondContact O-N 3.29Å; R319-A321 VanDerWaalsContact O-N 3.11Å; A321-L323 PolarHBondContact O-N 3.42Å
322	F	92.3	Very high	92.2	Very high	77 Å²	77	68.3 Å²	68.3	34%	0.338	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.2	178.6	-53.8	-76.6	0	0	0	116.5	V107 V108 H324 W325	V107-F322 HydrophobicContact CB-CE2 4.48Å; V107-F322 HydrophobicContact CG2-CD2 4.09Å; V107-F322 HydrophobicContact CG2-CE2 3.54Å; V107-F322 HydrophobicContact CG2-CZ 3.81Å; V108-F322 HydrophobicContact CG1-CB 3.8Å; V108-F322 HydrophobicContact CG1-CD2 4.1Å; V108-F322 HydrophobicContact CG1-CG 3.9Å; F322-H324 VanDerWaalsContact C-N 3.3Å; F322-H324 PolarHBondContact O-N 3.24Å; F322-W325 HydrophobicContact CD1-CD2 4.39Å; F322-W325 HydrophobicContact CD1-CE3 4.34Å; F322-W325 AromaticContact CD1-CH2 3.87Å; F322-W325 HydrophobicContact CD1-CH2 3.87Å; F322-W325 AromaticContact CD1-CZ2 3.9Å; F322-W325 HydrophobicContact CD1-CZ2 3.9Å; F322-W325 HydrophobicContact CD1-CZ3 4.09Å; F322-W325 HydrophobicContact CE1-CH2 4.13Å; F322-W325 HydrophobicContact CE1-CZ2 4.25Å; F322-W325 WeakPolarHBondContact O-CB 3.41Å; F322-W325 PolarHBondContact O-N 3.01Å; F322-W325 VanDerWaalsContact O-N 3.13Å
323	L	92.1	Very high	92.3	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.4	-175.7	-168	60.9	0	0	0	113.1	F317 K320 A321 W325 Y326 T327 E333 F336	F317-L323 HydrophobicContact CD2-CD1 4.47Å; F317-L323 HydrophobicContact CE2-CD1 4.19Å; F317-L323 HydrophobicContact CE2-CD2 4.26Å; K320-L323 HydrophobicContact CB-CD2 4.15Å; K320-L323 HydrophobicContact CD-CD2 4.31Å; K320-L323 HydrophobicContact CG-CD2 4.2Å; A321-L323 PolarHBondContact O-N 3.42Å; L323-W325 PolarHBondContact O-N 2.73Å; L323-W325 VanDerWaalsContact O-N 3.08Å; L323-Y326 PolarHBondContact O-N 3.07Å; L323-T327 HydrophobicContact CG-CG2 4.17Å; L323-T327 PolarHBondContact O-N 3.45Å; L323-T327 PolarHBondContact O-OG1 2.87Å; L323-E333 HydrophobicContact CD2-CG 3.82Å; L323-E333 VanDerWaalsContact CD2-OE1 3.27Å; L323-E333 WeakPolarHBondContact CD2-OE1 3.45Å; L323-E333 HydrophobicContact CG-CG 4.49Å; L323-F336 HydrophobicContact CD1-CD1 4.33Å; L323-F336 HydrophobicContact CD1-CD2 3.84Å; L323-F336 HydrophobicContact CD1-CE1 4.16Å; L323-F336 HydrophobicContact CD1-CE2 3.64Å; L323-F336 HydrophobicContact CD1-CG 4.19Å; L323-F336 HydrophobicContact CD1-CZ 3.82Å
324	H	91.8	Very high	92.2	Very high	124 Å²	124	74.3 Å²	74.3	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-59.1	-20	177.2	69.9	-73.7	0	0	0	114.6	F322 Y326 T327 G328	F322-H324 VanDerWaalsContact C-N 3.3Å; F322-H324 PolarHBondContact O-N 3.24Å; H324-Y326 VanDerWaalsContact C-N 3.33Å; H324-T327 WeakPolarHBondContact CA-OG1 3.46Å; H324-G328 PolarHBondContact O-N 3.25Å; H324-G328 VanDerWaalsContact O-N 3.11Å
325	W	92.3	Very high	92.2	Very high	113 Å²	113	75.4 Å²	75.4	43%	0.428	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-29.2	173.6	-67.1	-2	0	0	0	112.1	N28 V108 F322 L323 E329	N28-W325 PolarHBondContact ND2-O 3.28Å; V108-W325 HydrophobicContact CG1-CE3 4.45Å; V108-W325 HydrophobicContact CG1-CZ3 4.33Å; F322-W325 HydrophobicContact CD1-CD2 4.39Å; F322-W325 HydrophobicContact CD1-CE3 4.34Å; F322-W325 AromaticContact CD1-CH2 3.87Å; F322-W325 HydrophobicContact CD1-CH2 3.87Å; F322-W325 AromaticContact CD1-CZ2 3.9Å; F322-W325 HydrophobicContact CD1-CZ2 3.9Å; F322-W325 HydrophobicContact CD1-CZ3 4.09Å; F322-W325 HydrophobicContact CE1-CH2 4.13Å; F322-W325 HydrophobicContact CE1-CZ2 4.25Å; F322-W325 WeakPolarHBondContact O-CB 3.41Å; F322-W325 PolarHBondContact O-N 3.01Å; F322-W325 VanDerWaalsContact O-N 3.13Å; L323-W325 PolarHBondContact O-N 2.73Å; L323-W325 VanDerWaalsContact O-N 3.08Å; W325-E329 WeakPolarHBondContact O-CG 3.43Å
326	Y	94.4	Very high	92.3	Very high	1 Å²	1	72.7 Å²	72.7	0%	0.004	36%	0.362	C	S	.	.	H	α-helix	trans	-89.5	-45.8	-179.8	-61.4	-97.9	0	0	0	110.6	N28 W29 A30 Y111 N112 L115 L323 H324 G328 E329 M331 F336	N28-Y326 WeakPolarHBondContact OD1-CD1 3.37Å; W29-Y326 HydrophobicContact CB-CE1 4.07Å; A30-Y326 HydrophobicContact CB-CD1 3.94Å; Y111-Y326 WeakPolarHBondContact CB-OH 3.32Å; Y111-Y326 HydrophobicContact CD2-CE2 4.07Å; Y111-Y326 HydrophobicContact CG-CE2 4.44Å; N112-Y326 PolarHBondContact OD1-OH 3.44Å; L115-Y326 HydrophobicContact CD1-CD1 4.4Å; L115-Y326 HydrophobicContact CD1-CE1 4.36Å; L323-Y326 PolarHBondContact O-N 3.07Å; H324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-G328 PolarHBondContact O-N 3Å; Y326-E329 PolarHBondContact O-N 3.09Å; Y326-M331 HydrophobicContact CD1-SD 4.34Å; Y326-M331 WeakPolarHBondContact O-CB 3.17Å; Y326-M331 PolarHBondContact O-N 3.25Å; Y326-F336 HydrophobicContact CD1-CE1 4.49Å; Y326-F336 AromaticContact CD1-CZ 3.77Å; Y326-F336 HydrophobicContact CD1-CZ 3.77Å; Y326-F336 HydrophobicContact CD2-CZ 4.01Å; Y326-F336 HydrophobicContact CE1-CZ 4.46Å; Y326-F336 HydrophobicContact CG-CE1 4.41Å; Y326-F336 HydrophobicContact CG-CE2 4.35Å; Y326-F336 AromaticContact CG-CZ 3.52Å; Y326-F336 HydrophobicContact CG-CZ 3.52Å
327	T	93.1	Very high	92.4	Very high	56 Å²	56	74.8 Å²	74.8	34%	0.344	38%	0.376	S	S	.	.	H	α-helix	trans	-67.6	-27	178.2	63.1	0	0	0	0	112.8	L323 H324 E329 G330 M331 E333	L323-T327 HydrophobicContact CG-CG2 4.17Å; L323-T327 PolarHBondContact O-N 3.45Å; L323-T327 PolarHBondContact O-OG1 2.87Å; H324-T327 WeakPolarHBondContact CA-OG1 3.46Å; T327-E329 PolarHBondContact O-N 2.98Å; T327-G330 PolarHBondContact O-N 3.43Å; T327-M331 VanDerWaalsContact CA-O 3.31Å; T327-M331 WeakPolarHBondContact CA-O 3.41Å; T327-M331 WeakPolarHBondContact CG2-O 3.26Å; T327-E333 HydrophobicContact CG2-CG 4.22Å
328	G	92.1	Very high	92.5	Very high	61 Å²	61	78.2 Å²	78.2	63%	0.629	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.6	171.5	0	0	0	0	0	114.3	H324 Y326	H324-G328 PolarHBondContact O-N 3.25Å; H324-G328 VanDerWaalsContact O-N 3.11Å; Y326-G328 PolarHBondContact O-N 3Å
329	E	92.1	Very high	92.5	Very high	52 Å²	52	68.3 Å²	68.3	24%	0.243	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	7.6	178.1	-56.4	-66.7	144.4	0	0	112.3	A30 K31 T35 W325 Y326 T327	A30-E329 HydrophobicContact CB-CB 3.91Å; A30-E329 HydrophobicContact CB-CG 4.42Å; K31-E329 WeakPolarHBondContact CE-OE1 3.39Å; K31-E329 VanDerWaalsContact CG-CD 3.45Å; K31-E329 HydrophobicContact CG-CG 3.67Å; K31-E329 WeakPolarHBondContact CG-OE2 3.48Å; K31-E329 IonicContact NZ-OE1 3.48Å; T35-E329 HydrophobicContact CG2-CB 4.24Å; T35-E329 VanDerWaalsContact CG2-OE2 3.27Å; T35-E329 WeakPolarHBondContact CG2-OE2 3.49Å; T35-E329 PolarHBondContact OG1-OE2 3.3Å; W325-E329 WeakPolarHBondContact O-CG 3.43Å; Y326-E329 PolarHBondContact O-N 3.09Å; T327-E329 PolarHBondContact O-N 2.98Å
330	G	88.8	Confident	92.6	Very high	66 Å²	66	59.7 Å²	59.7	68%	0.68	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.8	3.2	174.7	0	0	0	0	0	115.8	T327	T327-G330 PolarHBondContact O-N 3.43Å
331	M	93.6	Very high	92.7	Very high	5 Å²	5	57 Å²	57	3%	0.025	32%	0.32	C	S	.	.			trans	-79.3	139.5	178.3	-168.8	175	-177.7	0	0	112.2	W29 A30 Y34 L115 Y326 T327 E335 F336	W29-M331 HydrophobicContact CE3-CE 4.49Å; W29-M331 HydrophobicContact CE3-SD 4.25Å; W29-M331 HydrophobicContact CZ3-CE 4.16Å; W29-M331 HydrophobicContact CZ3-SD 4.21Å; A30-M331 HydrophobicContact CB-CB 4.32Å; A30-M331 HydrophobicContact CB-SD 4.21Å; Y34-M331 HydrophobicContact CD2-CB 4.49Å; Y34-M331 HydrophobicContact CE2-CB 4.22Å; Y34-M331 HydrophobicContact CE2-CG 4.14Å; L115-M331 HydrophobicContact CD1-CE 3.64Å; L115-M331 HydrophobicContact CD1-SD 4.06Å; L115-M331 HydrophobicContact CD2-CE 3.41Å; L115-M331 VanDerWaalsContact CD2-CE 3.41Å; L115-M331 HydrophobicContact CG-CE 4.13Å; Y326-M331 HydrophobicContact CD1-SD 4.34Å; Y326-M331 WeakPolarHBondContact O-CB 3.17Å; Y326-M331 PolarHBondContact O-N 3.25Å; T327-M331 VanDerWaalsContact CA-O 3.31Å; T327-M331 WeakPolarHBondContact CA-O 3.41Å; T327-M331 WeakPolarHBondContact CG2-O 3.26Å; M331-E335 HydrophobicContact CE-CB 3.52Å; M331-E335 HydrophobicContact CE-CG 4.47Å; M331-E335 WeakPolarHBondContact CE-OE2 3.43Å; M331-E335 HydrophobicContact CG-CB 4.29Å; M331-E335 WeakPolarHBondContact CG-OE2 3.48Å; M331-F336 HydrophobicContact CE-CD2 3.88Å; M331-F336 HydrophobicContact CE-CE2 3.6Å; M331-F336 HydrophobicContact CE-CG 4.49Å; M331-F336 HydrophobicContact CE-CZ 3.99Å; M331-F336 HydrophobicContact CG-CE2 4.03Å; M331-F336 HydrophobicContact SD-CD2 4.27Å; M331-F336 HydrophobicContact SD-CE2 3.43Å; M331-F336 WeakPolarHBondContact SD-CE2 3.28Å; M331-F336 HydrophobicContact SD-CZ 3.72Å
332	D	92.5	Very high	92.9	Very high	98 Å²	98	56.4 Å²	56.4	52%	0.524	31%	0.312	S	S	.	.			trans	-84.4	150.1	174.6	-158.7	-21.9	0	0	0	111.8	M334 E335	D332-M334 HydrophobicContact CB-CB 4.43Å; D332-M334 PolarHBondContact O-N 3.07Å; D332-M334 PolarHBondContact OD1-N 3.02Å; D332-E335 PolarHBondContact N-OE1 3.27Å; D332-E335 PolarHBondContact O-N 3.02Å
333	E	91.1	Very high	92.9	Very high	72 Å²	72	52.9 Å²	52.9	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-25.2	168.7	-60.2	-165.3	165.1	0	0	111.9	K320 L323 T327 F336 T337	K320-E333 IonicContact NZ-OE1 2.96Å; K320-E333 PolarHBondContact NZ-OE1 2.85Å; K320-E333 IonicContact NZ-OE2 2.66Å; K320-E333 PolarHBondContact NZ-OE2 2.8Å; L323-E333 HydrophobicContact CD2-CG 3.82Å; L323-E333 VanDerWaalsContact CD2-OE1 3.27Å; L323-E333 WeakPolarHBondContact CD2-OE1 3.45Å; L323-E333 HydrophobicContact CG-CG 4.49Å; T327-E333 HydrophobicContact CG2-CG 4.22Å; E333-F336 WeakPolarHBondContact O-CB 3.47Å; E333-F336 PolarHBondContact O-N 3.35Å; E333-T337 PolarHBondContact O-N 3.05Å; E333-T337 PolarHBondContact O-OG1 3.42Å
334	M	92.6	Very high	93	Very high	120 Å²	120	55.7 Å²	55.7	59%	0.591	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-39.3	176.5	-174.9	165.1	-91.1	0	0	112	D332 F336 T337 E338	D332-M334 HydrophobicContact CB-CB 4.43Å; D332-M334 PolarHBondContact O-N 3.07Å; D332-M334 PolarHBondContact OD1-N 3.02Å; M334-F336 PolarHBondContact O-N 3.14Å; M334-T337 WeakPolarHBondContact O-CA 3.46Å; M334-T337 WeakPolarHBondContact O-CB 3.36Å; M334-T337 PolarHBondContact O-N 3.28Å; M334-E338 HydrophobicContact CG-CG 4.41Å; M334-E338 PolarHBondContact O-N 3.37Å
335	E	93.1	Very high	93.1	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.229	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-33.7	178	-68	176.4	-129.4	0	0	112.2	Y34 M331 D332 T337 A339	Y34-E335 PolarHBondContact OH-OE2 2.52Å; M331-E335 HydrophobicContact CE-CB 3.52Å; M331-E335 HydrophobicContact CE-CG 4.47Å; M331-E335 WeakPolarHBondContact CE-OE2 3.43Å; M331-E335 HydrophobicContact CG-CB 4.29Å; M331-E335 WeakPolarHBondContact CG-OE2 3.48Å; D332-E335 PolarHBondContact N-OE1 3.27Å; D332-E335 PolarHBondContact O-N 3.02Å; E335-T337 VanDerWaalsContact C-N 3.34Å; E335-A339 WeakPolarHBondContact O-CB 3.36Å; E335-A339 PolarHBondContact O-N 3.11Å
336	F	93.5	Very high	93.2	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-40	173.7	-76.2	-92.1	0	0	0	112	Y111 L115 F313 F317 L323 Y326 M331 E333 M334 E340	Y111-F336 AromaticContact CD1-CD1 3.83Å; Y111-F336 HydrophobicContact CD1-CD1 3.83Å; Y111-F336 AromaticContact CD1-CE1 3.64Å; Y111-F336 HydrophobicContact CD1-CE1 3.64Å; Y111-F336 HydrophobicContact CE1-CD1 4.15Å; Y111-F336 HydrophobicContact CE1-CE1 4.17Å; Y111-F336 HydrophobicContact CG-CE1 4.09Å; L115-F336 HydrophobicContact CD1-CE1 3.91Å; L115-F336 HydrophobicContact CD1-CZ 4.08Å; L115-F336 HydrophobicContact CD2-CD1 4.41Å; L115-F336 HydrophobicContact CG-CE1 4.48Å; F313-F336 AromaticContact CE2-CD1 3.9Å; F313-F336 HydrophobicContact CE2-CD1 3.9Å; F313-F336 HydrophobicContact CZ-CB 4.09Å; F313-F336 AromaticContact CZ-CD1 3.89Å; F313-F336 HydrophobicContact CZ-CD1 3.89Å; F313-F336 WeakPolarHBondContact CZ-O 3.36Å; F317-F336 HydrophobicContact CD2-CB 4.24Å; F317-F336 HydrophobicContact CE2-CB 3.6Å; F317-F336 HydrophobicContact CE2-CD1 4.5Å; F317-F336 HydrophobicContact CE2-CG 4.05Å; F317-F336 HydrophobicContact CZ-CB 3.82Å; L323-F336 HydrophobicContact CD1-CD1 4.33Å; L323-F336 HydrophobicContact CD1-CD2 3.84Å; L323-F336 HydrophobicContact CD1-CE1 4.16Å; L323-F336 HydrophobicContact CD1-CE2 3.64Å; L323-F336 HydrophobicContact CD1-CG 4.19Å; L323-F336 HydrophobicContact CD1-CZ 3.82Å; Y326-F336 HydrophobicContact CD1-CE1 4.49Å; Y326-F336 AromaticContact CD1-CZ 3.77Å; Y326-F336 HydrophobicContact CD1-CZ 3.77Å; Y326-F336 HydrophobicContact CD2-CZ 4.01Å; Y326-F336 HydrophobicContact CE1-CZ 4.46Å; Y326-F336 HydrophobicContact CG-CE1 4.41Å; Y326-F336 HydrophobicContact CG-CE2 4.35Å; Y326-F336 AromaticContact CG-CZ 3.52Å; Y326-F336 HydrophobicContact CG-CZ 3.52Å; M331-F336 HydrophobicContact CE-CD2 3.88Å; M331-F336 HydrophobicContact CE-CE2 3.6Å; M331-F336 HydrophobicContact CE-CG 4.49Å; M331-F336 HydrophobicContact CE-CZ 3.99Å; M331-F336 HydrophobicContact CG-CE2 4.03Å; M331-F336 HydrophobicContact SD-CD2 4.27Å; M331-F336 HydrophobicContact SD-CE2 3.43Å; M331-F336 WeakPolarHBondContact SD-CE2 3.28Å; M331-F336 HydrophobicContact SD-CZ 3.72Å; E333-F336 WeakPolarHBondContact O-CB 3.47Å; E333-F336 PolarHBondContact O-N 3.35Å; M334-F336 PolarHBondContact O-N 3.14Å; F336-E340 WeakPolarHBondContact O-CB 3.49Å; F336-E340 PolarHBondContact O-N 3.46Å
337	T	93.9	Very high	93.2	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-71.4	-39.5	-178.9	-52.2	0	0	0	0	110.6	E333 M334 E335 E340 S341	E333-T337 PolarHBondContact O-N 3.05Å; E333-T337 PolarHBondContact O-OG1 3.42Å; M334-T337 WeakPolarHBondContact O-CA 3.46Å; M334-T337 WeakPolarHBondContact O-CB 3.36Å; M334-T337 PolarHBondContact O-N 3.28Å; E335-T337 VanDerWaalsContact C-N 3.34Å; T337-E340 PolarHBondContact O-N 3.09Å; T337-S341 WeakPolarHBondContact O-CB 3.41Å; T337-S341 PolarHBondContact O-N 2.93Å
338	E	94.3	Very high	93.2	Very high	104 Å²	104	49.2 Å²	49.2	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-46.6	174.2	-70.5	175.6	179.5	0	0	111.4	M334 E340 S341 N342	M334-E338 HydrophobicContact CG-CG 4.41Å; M334-E338 PolarHBondContact O-N 3.37Å; E338-E340 PolarHBondContact O-N 2.76Å; E338-S341 PolarHBondContact O-N 2.9Å; E338-N342 WeakPolarHBondContact O-CB 3.36Å; E338-N342 PolarHBondContact O-N 2.87Å
339	A	94.3	Very high	93.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-38	177.3	0	0	0	0	0	112.6	T114 L115 H118 E335 M343	T114-A339 HydrophobicContact CG2-CB 4.05Å; L115-A339 HydrophobicContact CD2-CB 3.72Å; H118-A339 HydrophobicContact CB-CB 3.93Å; E335-A339 WeakPolarHBondContact O-CB 3.36Å; E335-A339 PolarHBondContact O-N 3.11Å; A339-M343 WeakPolarHBondContact O-CB 3.49Å; A339-M343 PolarHBondContact O-N 3.33Å
340	E	93.9	Very high	93.3	Very high	32 Å²	32	45.8 Å²	45.8	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-44.1	173.3	-173	175.6	-144.3	0	0	111.5	F313 T314 F336 T337 E338 M343 N344	F313-E340 HydrophobicContact CD1-CB 4.21Å; F313-E340 HydrophobicContact CD1-CG 4Å; F313-E340 HydrophobicContact CE1-CB 3.62Å; F313-E340 HydrophobicContact CE1-CG 3.83Å; F313-E340 HydrophobicContact CZ-CB 4.2Å; T314-E340 WeakPolarHBondContact CB-OE1 3.49Å; T314-E340 PolarHBondContact OG1-OE1 3.49Å; F336-E340 WeakPolarHBondContact O-CB 3.49Å; F336-E340 PolarHBondContact O-N 3.46Å; T337-E340 PolarHBondContact O-N 3.09Å; E338-E340 PolarHBondContact O-N 2.76Å; E340-M343 PolarHBondContact O-N 3.1Å; E340-N344 VanDerWaalsContact O-CG 3.26Å; E340-N344 PolarHBondContact O-N 2.99Å; E340-N344 VanDerWaalsContact O-N 3.09Å; E340-N344 PolarHBondContact O-ND2 3.18Å
341	S	94.3	Very high	93.5	Very high	59 Å²	59	45.3 Å²	45.3	41%	0.413	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-51.8	176.6	-165.3	0	0	0	0	110.9	T337 E338 M343 N344 D345	T337-S341 WeakPolarHBondContact O-CB 3.41Å; T337-S341 PolarHBondContact O-N 2.93Å; E338-S341 PolarHBondContact O-N 2.9Å; S341-M343 VanDerWaalsContact C-N 3.26Å; S341-M343 PolarHBondContact O-N 3.36Å; S341-N344 PolarHBondContact O-N 3.27Å; S341-D345 PolarHBondContact O-N 3.16Å
342	N	94.3	Very high	93.4	Very high	18 Å²	18	49.7 Å²	49.7	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-37.6	-179.1	-172.4	36.8	0	0	0	112.4	H118 R190 E338 D345 L346	H118-N342 PolarHBondContact ND1-ND2 3.32Å; R190-N342 PolarHBondContact NH2-OD1 3.27Å; E338-N342 WeakPolarHBondContact O-CB 3.36Å; E338-N342 PolarHBondContact O-N 2.87Å; N342-D345 PolarHBondContact O-N 3.02Å; N342-L346 WeakPolarHBondContact O-CB 3.45Å; N342-L346 PolarHBondContact O-N 3.28Å
343	M	93	Very high	93.3	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-44	173.7	-174.6	72.4	64.4	0	0	112.1	T114 I117 F306 A339 E340 S341 D345 L346 V347	T114-M343 HydrophobicContact CG2-CE 4.14Å; I117-M343 HydrophobicContact CB-CE 3.41Å; I117-M343 VanDerWaalsContact CB-CE 3.41Å; I117-M343 HydrophobicContact CB-SD 4.4Å; I117-M343 HydrophobicContact CD1-CE 3.63Å; I117-M343 HydrophobicContact CD1-SD 4.35Å; I117-M343 HydrophobicContact CG1-CE 4.09Å; I117-M343 HydrophobicContact CG2-CE 3.37Å; I117-M343 HydrophobicContact CG2-SD 3.73Å; F306-M343 HydrophobicContact CB-SD 3.92Å; F306-M343 HydrophobicContact CD1-SD 3.52Å; F306-M343 VanDerWaalsContact CD1-SD 3.52Å; F306-M343 HydrophobicContact CE1-SD 4.33Å; F306-M343 HydrophobicContact CG-SD 3.97Å; A339-M343 WeakPolarHBondContact O-CB 3.49Å; A339-M343 PolarHBondContact O-N 3.33Å; E340-M343 PolarHBondContact O-N 3.1Å; S341-M343 VanDerWaalsContact C-N 3.26Å; S341-M343 PolarHBondContact O-N 3.36Å; M343-D345 VanDerWaalsContact C-N 3.35Å; M343-L346 PolarHBondContact O-N 3.37Å; M343-V347 WeakPolarHBondContact O-CG2 3.4Å; M343-V347 PolarHBondContact O-N 3.04Å
344	N	93.9	Very high	93.2	Very high	63 Å²	63	44.6 Å²	44.6	34%	0.337	23%	0.234	S	C	.	.	H	α-helix	trans	-70.4	-34.1	-180	-67.3	-33.2	0	0	0	111.7	S310 E340 S341 V347 S348	S310-N344 PolarHBondContact OG-OD1 3.28Å; E340-N344 VanDerWaalsContact O-CG 3.26Å; E340-N344 PolarHBondContact O-N 2.99Å; E340-N344 VanDerWaalsContact O-N 3.09Å; E340-N344 PolarHBondContact O-ND2 3.18Å; S341-N344 PolarHBondContact O-N 3.27Å; N344-V347 PolarHBondContact O-N 3.49Å; N344-S348 WeakPolarHBondContact O-CB 3.42Å; N344-S348 PolarHBondContact O-N 3.29Å; N344-S348 PolarHBondContact O-OG 3.31Å
345	D	94.8	Very high	93	Very high	75 Å²	75	43.5 Å²	43.5	40%	0.401	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-46.8	173	-62.9	-25.4	0	0	0	110	S341 N342 M343 V347 S348 E349	S341-D345 PolarHBondContact O-N 3.16Å; N342-D345 PolarHBondContact O-N 3.02Å; M343-D345 VanDerWaalsContact C-N 3.35Å; D345-V347 VanDerWaalsContact C-N 3.32Å; D345-V347 PolarHBondContact O-N 2.87Å; D345-S348 CarbonylContact O-C 3.54Å; D345-S348 WeakPolarHBondContact O-CA 3.45Å; D345-S348 WeakPolarHBondContact O-CB 3.48Å; D345-S348 PolarHBondContact O-N 3Å; D345-E349 WeakPolarHBondContact O-CG 3.45Å; D345-E349 PolarHBondContact O-N 3.26Å
346	L	93.3	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-43.2	174.9	-179.8	68.8	0	0	0	112.1	I117 V121 R190 L191 F193 F306 N342 M343 S348 E349 Y350	I117-L346 HydrophobicContact CG2-CD2 4.43Å; V121-L346 HydrophobicContact CG2-CD2 3.79Å; R190-L346 HydrophobicContact CB-CD1 4.39Å; L191-L346 HydrophobicContact CD2-CD1 3.78Å; F193-L346 HydrophobicContact CD2-CD2 4.26Å; F193-L346 HydrophobicContact CE2-CD1 4.46Å; F193-L346 HydrophobicContact CE2-CD2 3.82Å; F193-L346 HydrophobicContact CZ-CD2 4.43Å; F306-L346 HydrophobicContact CD2-CD2 4.22Å; F306-L346 HydrophobicContact CE1-CD2 4.33Å; F306-L346 HydrophobicContact CE2-CD2 3.89Å; F306-L346 HydrophobicContact CZ-CD2 3.95Å; N342-L346 WeakPolarHBondContact O-CB 3.45Å; N342-L346 PolarHBondContact O-N 3.28Å; M343-L346 PolarHBondContact O-N 3.37Å; L346-S348 VanDerWaalsContact C-N 3.29Å; L346-S348 PolarHBondContact O-N 2.81Å; L346-E349 PolarHBondContact O-N 3.43Å; L346-Y350 HydrophobicContact CD1-CD2 4.32Å; L346-Y350 HydrophobicContact CD1-CE2 3.81Å; L346-Y350 HydrophobicContact CD2-CE2 4.38Å; L346-Y350 HydrophobicContact CG-CD2 4.16Å; L346-Y350 HydrophobicContact CG-CE2 3.87Å; L346-Y350 VanDerWaalsContact O-CD2 3.22Å; L346-Y350 WeakPolarHBondContact O-CD2 3.27Å; L346-Y350 PolarHBondContact O-N 2.87Å; L346-Y350 VanDerWaalsContact O-N 3.12Å
347	V	93.9	Very high	91.6	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-39.9	174.9	166.8	0	0	0	0	111.3	Q303 F306 K307 M343 N344 D345 Y350 Q351	Q303-V347 HydrophobicContact CB-CG1 4.44Å; F306-V347 HydrophobicContact CB-CG2 3.52Å; F306-V347 HydrophobicContact CG-CG2 4.49Å; K307-V347 HydrophobicContact CD-CG1 4.23Å; K307-V347 VanDerWaalsContact CE-CG1 3.42Å; K307-V347 HydrophobicContact CG-CG1 3.87Å; K307-V347 HydrophobicContact CG-CG2 4.38Å; M343-V347 WeakPolarHBondContact O-CG2 3.4Å; M343-V347 PolarHBondContact O-N 3.04Å; N344-V347 PolarHBondContact O-N 3.49Å; D345-V347 VanDerWaalsContact C-N 3.32Å; D345-V347 PolarHBondContact O-N 2.87Å; V347-Y350 PolarHBondContact O-N 3.33Å; V347-Q351 PolarHBondContact O-N 3.42Å; V347-Q351 VanDerWaalsContact O-N 3.08Å
348	S	93.6	Very high	90.2	Very high	70 Å²	70	43.8 Å²	43.8	49%	0.49	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-39.3	179.1	-56.7	0	0	0	0	111.7	N344 D345 L346 Q351 Q352	N344-S348 WeakPolarHBondContact O-CB 3.42Å; N344-S348 PolarHBondContact O-N 3.29Å; N344-S348 PolarHBondContact O-OG 3.31Å; D345-S348 CarbonylContact O-C 3.54Å; D345-S348 WeakPolarHBondContact O-CA 3.45Å; D345-S348 WeakPolarHBondContact O-CB 3.48Å; D345-S348 PolarHBondContact O-N 3Å; L346-S348 VanDerWaalsContact C-N 3.29Å; L346-S348 PolarHBondContact O-N 2.81Å; S348-Q351 WeakPolarHBondContact O-CB 3.39Å; S348-Q351 PolarHBondContact O-N 2.98Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; S348-Q352 PolarHBondContact O-N 3.39Å
349	E	93.1	Very high	88.4	Confident	41 Å²	41	47.2 Å²	47.2	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-48.3	172.7	-71.3	179.1	176.9	0	0	111.3	R190 L191 D345 L346 Q351 Q352 Y353	R190-E349 WeakPolarHBondContact CB-OE2 3.42Å; R190-E349 WeakPolarHBondContact CD-OE1 3.31Å; R190-E349 IonicContact CZ-OE1 2.68Å; R190-E349 IonicContact CZ-OE2 3.8Å; R190-E349 IonicContact NE-OE1 3.69Å; R190-E349 PolarHBondContact NE-OE1 2.93Å; R190-E349 IonicContact NE-OE2 2.98Å; R190-E349 IonicContact NH1-OE1 3.76Å; R190-E349 PolarHBondContact NH1-OE1 2.96Å; L191-E349 HydrophobicContact CD2-CB 4.1Å; D345-E349 WeakPolarHBondContact O-CG 3.45Å; D345-E349 PolarHBondContact O-N 3.26Å; L346-E349 PolarHBondContact O-N 3.43Å; E349-Q351 PolarHBondContact O-N 3.4Å; E349-Q352 WeakPolarHBondContact O-CB 3.29Å; E349-Q352 PolarHBondContact O-N 3.25Å; E349-Y353 WeakPolarHBondContact O-CD2 3.22Å; E349-Y353 PolarHBondContact O-N 3.34Å; E349-Y353 VanDerWaalsContact O-N 3.12Å
350	Y	93.7	Very high	86.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-36.7	175.2	-81.4	-65.1	0	0	0	112.7	L191 T300 I302 F306 L346 V347 Q354	L191-Y350 HydrophobicContact CB-CE1 4.03Å; L191-Y350 HydrophobicContact CD1-CD1 4.21Å; L191-Y350 HydrophobicContact CD1-CE1 4.21Å; L191-Y350 HydrophobicContact CD2-CD1 4.01Å; L191-Y350 HydrophobicContact CD2-CD2 3.99Å; L191-Y350 HydrophobicContact CD2-CE1 3.78Å; L191-Y350 HydrophobicContact CD2-CE2 3.72Å; L191-Y350 HydrophobicContact CD2-CG 4.11Å; L191-Y350 HydrophobicContact CG-CE1 4.22Å; T300-Y350 HydrophobicContact CG2-CD1 4.41Å; T300-Y350 WeakPolarHBondContact CG2-O 3.1Å; I302-Y350 HydrophobicContact CG2-CD1 4.04Å; I302-Y350 HydrophobicContact CG2-CD2 4.08Å; I302-Y350 HydrophobicContact CG2-CE1 3.59Å; I302-Y350 HydrophobicContact CG2-CE2 3.67Å; I302-Y350 HydrophobicContact CG2-CG 4.26Å; I302-Y350 VanDerWaalsContact CG2-CZ 3.41Å; F306-Y350 HydrophobicContact CD2-CD2 4.5Å; F306-Y350 HydrophobicContact CD2-CE2 4.27Å; F306-Y350 HydrophobicContact CE2-CD2 4.46Å; F306-Y350 AromaticContact CE2-CE2 3.81Å; F306-Y350 HydrophobicContact CE2-CE2 3.81Å; L346-Y350 HydrophobicContact CD1-CD2 4.32Å; L346-Y350 HydrophobicContact CD1-CE2 3.81Å; L346-Y350 HydrophobicContact CD2-CE2 4.38Å; L346-Y350 HydrophobicContact CG-CD2 4.16Å; L346-Y350 HydrophobicContact CG-CE2 3.87Å; L346-Y350 VanDerWaalsContact O-CD2 3.22Å; L346-Y350 WeakPolarHBondContact O-CD2 3.27Å; L346-Y350 PolarHBondContact O-N 2.87Å; L346-Y350 VanDerWaalsContact O-N 3.12Å; V347-Y350 PolarHBondContact O-N 3.33Å; Y350-Q354 VanDerWaalsContact O-CB 3.31Å; Y350-Q354 WeakPolarHBondContact O-CB 3.23Å; Y350-Q354 PolarHBondContact O-N 2.93Å; Y350-Q354 VanDerWaalsContact O-N 3.11Å
351	Q	92.4	Very high	84	Confident	56 Å²	56	51.7 Å²	51.7	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-42	177.2	-172.1	61.9	57.2	0	0	111.6	Q303 V347 S348 E349 Y353 Q354 D355	Q303-Q351 VanDerWaalsContact NE2-OE1 3.08Å; Q303-Q351 VanDerWaalsContact OE1-OE1 3.09Å; V347-Q351 PolarHBondContact O-N 3.42Å; V347-Q351 VanDerWaalsContact O-N 3.08Å; S348-Q351 WeakPolarHBondContact O-CB 3.39Å; S348-Q351 PolarHBondContact O-N 2.98Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; E349-Q351 PolarHBondContact O-N 3.4Å; Q351-Y353 PolarHBondContact O-N 3.07Å; Q351-Q354 WeakPolarHBondContact O-CB 3.32Å; Q351-Q354 PolarHBondContact O-N 3.08Å; Q351-D355 VanDerWaalsContact NE2-CG 3.33Å; Q351-D355 PolarHBondContact NE2-OD1 3.45Å; Q351-D355 PolarHBondContact NE2-OD2 3.02Å; Q351-D355 PolarHBondContact O-N 2.9Å; Q351-D355 VanDerWaalsContact O-N 3.1Å
352	Q	92.4	Very high	81.6	Confident	98 Å²	98	51.3 Å²	51.3	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-57.1	-51.3	177.1	-177.7	179	1	0	0	111.2	S348 E349 Q354 D355 A356	S348-Q352 PolarHBondContact O-N 3.39Å; E349-Q352 WeakPolarHBondContact O-CB 3.29Å; E349-Q352 PolarHBondContact O-N 3.25Å; Q352-Q354 VanDerWaalsContact C-N 3.27Å; Q352-Q354 PolarHBondContact O-N 3.13Å; Q352-D355 PolarHBondContact O-N 3.11Å; Q352-A356 WeakPolarHBondContact O-CB 3.32Å; Q352-A356 PolarHBondContact O-N 3.5Å
353	Y	89.9	Confident	79.1	Confident	33 Å²	33	57.5 Å²	57.5	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-72.4	-19.2	178.9	-65.4	-67.3	0	0	0	114.1	F188 L191 W272 E349 Q351	F188-Y353 WeakPolarHBondContact CD1-OH 3.32Å; F188-Y353 HydrophobicContact CD2-CD1 4.41Å; F188-Y353 HydrophobicContact CD2-CD2 4.26Å; F188-Y353 HydrophobicContact CD2-CE1 4.02Å; F188-Y353 AromaticContact CD2-CE2 3.84Å; F188-Y353 HydrophobicContact CD2-CE2 3.84Å; F188-Y353 AromaticContact CD2-CZ 3.7Å; F188-Y353 AromaticContact CE1-CE1 3.9Å; F188-Y353 HydrophobicContact CE1-CE1 3.9Å; F188-Y353 AromaticContact CE1-CZ 3.81Å; F188-Y353 WeakPolarHBondContact CE1-OH 3.44Å; F188-Y353 AromaticContact CE2-CD1 3.56Å; F188-Y353 HydrophobicContact CE2-CD1 3.56Å; F188-Y353 HydrophobicContact CE2-CD2 4.19Å; F188-Y353 AromaticContact CE2-CE1 3.23Å; F188-Y353 HydrophobicContact CE2-CE1 3.23Å; F188-Y353 AromaticContact CE2-CE2 3.89Å; F188-Y353 HydrophobicContact CE2-CE2 3.89Å; F188-Y353 HydrophobicContact CE2-CG 4.03Å; F188-Y353 AromaticContact CE2-CZ 3.39Å; F188-Y353 HydrophobicContact CG-CE2 4.26Å; F188-Y353 AromaticContact CZ-CD1 3.89Å; F188-Y353 HydrophobicContact CZ-CD1 3.89Å; F188-Y353 AromaticContact CZ-CE1 3.18Å; F188-Y353 HydrophobicContact CZ-CE1 3.18Å; F188-Y353 HydrophobicContact CZ-CE2 4.41Å; F188-Y353 AromaticContact CZ-CZ 3.48Å; F188-Y353 VanDerWaalsContact CZ-CZ 3.48Å; L191-Y353 HydrophobicContact CD1-CD2 3.44Å; L191-Y353 VanDerWaalsContact CD1-CD2 3.44Å; L191-Y353 HydrophobicContact CD1-CE2 3.71Å; L191-Y353 HydrophobicContact CD1-CG 4.41Å; W272-Y353 HydrophobicContact CZ2-CD1 4.28Å; E349-Y353 WeakPolarHBondContact O-CD2 3.22Å; E349-Y353 PolarHBondContact O-N 3.34Å; E349-Y353 VanDerWaalsContact O-N 3.12Å; Q351-Y353 PolarHBondContact O-N 3.07Å
354	Q	89.1	Confident	76.7	Confident	29 Å²	29	60.9 Å²	60.9	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-41	172.4	-178.4	168.4	-52.9	0	0	111.5	H235 G236 R237 T300 Y350 Q351 Q352	H235-Q354 PolarHBondContact O-NE2 2.88Å; G236-Q354 VanDerWaalsContact CA-OE1 3.32Å; R237-Q354 PolarHBondContact NH1-O 2.98Å; T300-Q354 HydrophobicContact CG2-CB 3.97Å; T300-Q354 PolarHBondContact OG1-OE1 3.46Å; Y350-Q354 VanDerWaalsContact O-CB 3.31Å; Y350-Q354 WeakPolarHBondContact O-CB 3.23Å; Y350-Q354 PolarHBondContact O-N 2.93Å; Y350-Q354 VanDerWaalsContact O-N 3.11Å; Q351-Q354 WeakPolarHBondContact O-CB 3.32Å; Q351-Q354 PolarHBondContact O-N 3.08Å; Q352-Q354 VanDerWaalsContact C-N 3.27Å; Q352-Q354 PolarHBondContact O-N 3.13Å
355	D	88.3	Confident	74.6	Confident	98 Å²	98	63.7 Å²	63.7	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-86.2	-22.9	-177.5	-63.5	-29.1	0	0	0	112.2	Q351 Q352 T357	Q351-D355 VanDerWaalsContact NE2-CG 3.33Å; Q351-D355 PolarHBondContact NE2-OD1 3.45Å; Q351-D355 PolarHBondContact NE2-OD2 3.02Å; Q351-D355 PolarHBondContact O-N 2.9Å; Q351-D355 VanDerWaalsContact O-N 3.1Å; Q352-D355 PolarHBondContact O-N 3.11Å; D355-T357 PolarHBondContact O-N 3.28Å
356	A	83	Confident	72	Confident	14 Å²	14	66.5 Å²	66.5	12%	0.116	35%	0.347	C	S	.	.			trans	-52.3	134.1	178.4	0	0	0	0	0	112.9	R237 Q352	R237-A356 PolarHBondContact NH1-O 2.96Å; Q352-A356 WeakPolarHBondContact O-CB 3.32Å; Q352-A356 PolarHBondContact O-N 3.5Å
357	T	74.7	Confident	69.7	Low	57 Å²	57	71.8 Å²	71.8	35%	0.35	38%	0.375	S	S	.	.			trans	-113.1	156.8	173.7	61.1	0	0	0	0	110.8	D355 E359 E360	D355-T357 PolarHBondContact O-N 3.28Å; T357-E359 PolarHBondContact O-N 3.24Å; T357-E360 PolarHBondContact N-OE2 3.45Å; T357-E360 PolarHBondContact O-N 3.29Å; T357-E360 PolarHBondContact OG1-OE2 2.81Å
358	A	63.7	Low	67.3	Low	56 Å²	56	76.3 Å²	76.3	46%	0.463	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.4	-177.3	0	0	0	0	0	114.2	W272	W272-A358 HydrophobicContact CB-CB 4.44Å
359	E	57	Low	64.9	Low	176 Å²	176	79.7 Å²	79.7	82%	0.822	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.6	176.5	-65.4	-177.6	170.8	0	0	112.6	T357	T357-E359 PolarHBondContact O-N 3.24Å
360	E	50.6	Low	62.5	Low	110 Å²	110	84.2 Å²	84.2	51%	0.514	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-23	-175	-71.4	165.7	150.6	0	0	113.3	T357	T357-E360 PolarHBondContact N-OE2 3.45Å; T357-E360 PolarHBondContact O-N 3.29Å; T357-E360 PolarHBondContact OG1-OE2 2.81Å
361	E	45.7	Very low	60.3	Low	16 Å²	16	91.4 Å²	91.4	8%	0.075	46%	0.462	C	S	.	.	H	α-helix	trans	-75.6	-24.3	178.4	-107.5	-172.6	-160.9	0	0	113.4	E363 M364 Y365	E361-E363 PolarHBondContact O-N 3.39Å; E361-M364 PolarHBondContact O-N 3.05Å; E361-M364 VanDerWaalsContact O-N 3.09Å; E361-Y365 HydrophobicContact CB-CD2 4.23Å; E361-Y365 HydrophobicContact CB-CE2 3.81Å; E361-Y365 HydrophobicContact CG-CE2 3.92Å; E361-Y365 WeakPolarHBondContact O-CD2 3.43Å; E361-Y365 PolarHBondContact O-N 3.21Å; E361-Y365 VanDerWaalsContact O-N 3.1Å; E361-Y365 WeakPolarHBondContact OE2-CE2 3.34Å; E361-Y365 PolarHBondContact OE2-OH 2.98Å
362	G	43.4	Very low	58	Low	50 Å²	50	92.5 Å²	92.5	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-24.6	176.1	0	0	0	0	0	113.7
363	E	41.7	Very low	55.7	Low	149 Å²	149	95.7 Å²	95.7	70%	0.696	49%	0.491	S	S	*	.	H	α-helix	trans	-91.4	-26.8	174.8	-63.1	-173.1	169	0	0	112.1	E361 D367	E361-E363 PolarHBondContact O-N 3.39Å; E363-D367 PolarHBondContact O-N 3.46Å
364	M	43.4	Very low	53.7	Low	75 Å²	75	98.1 Å²	98.1	37%	0.369	52%	0.518	S	S	.	.	H	α-helix	trans	-79.2	-30.5	179.5	-63.5	-131.4	-41.6	0	0	114.1	E361 E366 D367 D368	E361-M364 PolarHBondContact O-N 3.05Å; E361-M364 VanDerWaalsContact O-N 3.09Å; M364-E366 VanDerWaalsContact C-N 3.26Å; M364-E366 PolarHBondContact O-N 3.27Å; M364-D367 PolarHBondContact O-N 3.05Å; M364-D368 PolarHBondContact O-N 3.37Å
365	Y	48.5	Very low	51.5	Low	121 Å²	121	105.2 Å²	105.2	48%	0.475	55%	0.551	S	S	.	*	H	α-helix	trans	-69.4	-24.8	172.9	-70.5	-71.3	0	0	0	112.4	E361 E369	E361-Y365 HydrophobicContact CB-CD2 4.23Å; E361-Y365 HydrophobicContact CB-CE2 3.81Å; E361-Y365 HydrophobicContact CG-CE2 3.92Å; E361-Y365 WeakPolarHBondContact O-CD2 3.43Å; E361-Y365 PolarHBondContact O-N 3.21Å; E361-Y365 VanDerWaalsContact O-N 3.1Å; E361-Y365 WeakPolarHBondContact OE2-CE2 3.34Å; E361-Y365 PolarHBondContact OE2-OH 2.98Å; Y365-E369 PolarHBondContact O-N 3.11Å
366	E	41.3	Very low	49.1	Very low	134 Å²	134	103 Å²	103	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-71.6	-39.2	172.7	-73.9	-173.5	163.5	0	0	111.1	M364 E370	M364-E366 VanDerWaalsContact C-N 3.26Å; M364-E366 PolarHBondContact O-N 3.27Å; E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 2.96Å; E366-E370 VanDerWaalsContact O-N 3.11Å
367	D	44.6	Very low	47.3	Very low	111 Å²	111	108.9 Å²	108.9	59%	0.594	59%	0.588	S	S	*	*	H	α-helix	trans	-69.6	-39.8	178.9	-86.2	-17	0	0	0	113.2	E363 M364 E370 E371	E363-D367 PolarHBondContact O-N 3.46Å; M364-D367 PolarHBondContact O-N 3.05Å; D367-E370 PolarHBondContact O-N 2.87Å; D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.1Å
368	D	43.9	Very low	45.5	Very low	109 Å²	109	119.6 Å²	119.6	58%	0.583	63%	0.63	S	S	*	*	H	α-helix	trans	-71.2	-33.1	178	-84.3	-20	0	0	0	112.7	M364 S372	M364-D368 PolarHBondContact O-N 3.37Å; D368-S372 PolarHBondContact O-N 2.6Å
369	E	42.8	Very low	44.6	Very low	140 Å²	140	122.8 Å²	122.8	65%	0.654	64%	0.639	S	S	*	*	H	α-helix	trans	-69.4	-39.6	172.4	-79.3	-169.4	169.9	0	0	111.2	Y365 S372 E373	Y365-E369 PolarHBondContact O-N 3.11Å; E369-S372 PolarHBondContact O-N 3.28Å; E369-S372 PolarHBondContact O-OG 3.1Å; E369-E373 PolarHBondContact O-N 3.06Å
370	E	43.3	Very low	43.9	Very low	137 Å²	137	120 Å²	120	64%	0.64	63%	0.629	S	S	*	*	H	α-helix	trans	-65.6	-37.7	177	-78.1	-165.1	174.3	0	0	113.3	E366 D367 S372 A374	E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 2.96Å; E366-E370 VanDerWaalsContact O-N 3.11Å; D367-E370 PolarHBondContact O-N 2.87Å; E370-S372 VanDerWaalsContact C-N 3.33Å; E370-A374 PolarHBondContact O-N 3.46Å
371	E	45.9	Very low	43.6	Very low	150 Å²	150	120.6 Å²	120.6	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-67.9	-32.9	174	-79.7	-159.5	158.1	0	0	112.6	D367	D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.1Å
372	S	45	Very low	43.4	Very low	80 Å²	80	126.7 Å²	126.7	56%	0.559	67%	0.668	S	S	*	*	H	α-helix	trans	-73.8	-33.2	178.1	80.3	0	0	0	0	113.1	D368 E369 E370	D368-S372 PolarHBondContact O-N 2.6Å; E369-S372 PolarHBondContact O-N 3.28Å; E369-S372 PolarHBondContact O-OG 3.1Å; E370-S372 VanDerWaalsContact C-N 3.33Å
373	E	43.7	Very low	43.4	Very low	165 Å²	165	131.5 Å²	131.5	77%	0.771	68%	0.678	S	S	*	*	H	α-helix	trans	-76.3	-24.7	174.8	-72.6	-161.6	155	0	0	113	E369 Q375	E369-E373 PolarHBondContact O-N 3.06Å; E373-Q375 PolarHBondContact O-N 2.66Å
374	A	47.3	Very low	43.6	Very low	83 Å²	83	130.3 Å²	130.3	69%	0.686	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-16.3	177.6	0	0	0	0	0	113.9	E370	E370-A374 PolarHBondContact O-N 3.46Å
375	Q	44.6	Very low	43.6	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	46.7	175.9	-63.6	-171.8	19.2	0	0	112.8	E373	E373-Q375 PolarHBondContact O-N 2.66Å
376	G	36.1	Very low	43.2	Very low	52 Å²	52	135.3 Å²	135.3	54%	0.536	72%	0.716	S	S	.	*			trans	-71.7	149.1	164.7	0	0	0	0	0	112.9
377	P	46.1	Very low	43.4	Very low	138 Å²	138	135.4 Å²	135.4	90%	0.896	72%	0.723	S	S	*	*			trans	-73.7	135.6	-162.1	30.5	-34.3	0	0	0	112.5
378	K	36.9	Very low	43.2	Very low	282 Å²	282	137.6 Å²	137.6	100%	1.226	74%	0.735	S	S	*	*			trans	-103.9	0	160.2	-92.2	-173.9	178.7	171.5	0	111.2

Retrieved 378 of 378 residues in 100.2 ms (Link to these results)

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